smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1O ZINC000228674870 1032160532 /nfs/dbraw/zinc/16/05/32/1032160532.db2.gz OTEFLYIAROUOJV-JTQLQIEISA-N 1 0 325.861 4.145 20 10 EICDRO Cc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3O)o2)cc1C ZINC000120488815 1032330837 /nfs/dbraw/zinc/33/08/37/1032330837.db2.gz GBCMPSPIJKVFNX-HNNXBMFYSA-N 1 0 337.423 4.252 20 10 EICDRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841759543 1032551568 /nfs/dbraw/zinc/55/15/68/1032551568.db2.gz ZOFVOXLRSAVAED-SJCJKPOMSA-N 1 0 336.838 4.138 20 10 EICDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001167054372 1018968378 /nfs/dbraw/zinc/96/83/78/1018968378.db2.gz LCNXJFGISKDCCG-UHFFFAOYSA-N 1 0 347.842 4.279 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000799729612 1019243396 /nfs/dbraw/zinc/24/33/96/1019243396.db2.gz PKAKFTGIDLIDMD-YCPHGPKFSA-N 1 0 342.277 4.153 20 10 EICDRO Cc1cc(CN2CCC[N@H+](CC3CCCCC3)CC2)ccc1N(C)C ZINC001167116543 1020222467 /nfs/dbraw/zinc/22/24/67/1020222467.db2.gz REBOAGLQIIVBCC-UHFFFAOYSA-N 1 0 343.559 4.149 20 10 EICDRO CCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1O ZINC000728927153 1032915825 /nfs/dbraw/zinc/91/58/25/1032915825.db2.gz JITVBCQUNOSRII-UHFFFAOYSA-N 1 0 347.842 4.229 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC000310661571 1021494203 /nfs/dbraw/zinc/49/42/03/1021494203.db2.gz ZIBKHRVTOSEILF-VYDXJSESSA-N 1 0 348.487 4.221 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168582 1021653046 /nfs/dbraw/zinc/65/30/46/1021653046.db2.gz XKRCLJBHOSJWEZ-AWEZNQCLSA-N 1 0 326.371 4.052 20 10 EICDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000279940462 1033008737 /nfs/dbraw/zinc/00/87/37/1033008737.db2.gz BFDWXUQYCIMNLW-IAGOWNOFSA-N 1 0 342.487 4.211 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C)cc1O ZINC000279935427 1033014989 /nfs/dbraw/zinc/01/49/89/1033014989.db2.gz AYVCKJDQYBTJMV-QGZVFWFLSA-N 1 0 332.444 4.245 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282357019 1021942171 /nfs/dbraw/zinc/94/21/71/1021942171.db2.gz HJXZDJJWWVAPOD-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000376341223 1022228391 /nfs/dbraw/zinc/22/83/91/1022228391.db2.gz YVDVXEPAZTXUDM-LJQANCHMSA-N 1 0 338.451 4.194 20 10 EICDRO C[C@H](c1ccccc1)[N@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000179647636 1022362426 /nfs/dbraw/zinc/36/24/26/1022362426.db2.gz TZLMQSASIPRUAV-GOSISDBHSA-N 1 0 335.451 4.242 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c(O)c1OC ZINC000892603504 1022451338 /nfs/dbraw/zinc/45/13/38/1022451338.db2.gz OOYRFGNJJMYLNV-CQSZACIVSA-N 1 0 345.439 4.047 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1OC ZINC000180271921 1022459349 /nfs/dbraw/zinc/45/93/49/1022459349.db2.gz NZVXXCXKHIAXQP-HNNXBMFYSA-N 1 0 331.412 4.120 20 10 EICDRO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000176981398 1022860228 /nfs/dbraw/zinc/86/02/28/1022860228.db2.gz OXGZZNKPZZAIQA-HNNXBMFYSA-N 1 0 330.447 4.224 20 10 EICDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858593 1022864164 /nfs/dbraw/zinc/86/41/64/1022864164.db2.gz DYSVHYBBFAVVLU-CRAIPNDOSA-N 1 0 339.483 4.004 20 10 EICDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nc2ccccc2[nH]1 ZINC000185140355 1023010657 /nfs/dbraw/zinc/01/06/57/1023010657.db2.gz PYFKFAYNGFAUMO-XIKOKIGWSA-N 1 0 327.403 4.456 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185228328 1023022071 /nfs/dbraw/zinc/02/20/71/1023022071.db2.gz WRWWXZZKSNTWNJ-CABCVRRESA-N 1 0 329.440 4.081 20 10 EICDRO CC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000402595066 1023040929 /nfs/dbraw/zinc/04/09/29/1023040929.db2.gz LQWVZYXJMOZCAT-SECBINFHSA-N 1 0 340.183 4.223 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376892040 1023330860 /nfs/dbraw/zinc/33/08/60/1023330860.db2.gz GSCRKJHXXVXXBG-HUUCEWRRSA-N 1 0 337.423 4.032 20 10 EICDRO CC[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O ZINC000156272951 1023362763 /nfs/dbraw/zinc/36/27/63/1023362763.db2.gz IXFIHJCLOFYOBC-IBGZPJMESA-N 1 0 335.451 4.072 20 10 EICDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000189213218 1023415299 /nfs/dbraw/zinc/41/52/99/1023415299.db2.gz XLVSCDZICOZHBS-UHFFFAOYSA-N 1 0 328.431 4.114 20 10 EICDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](CC)c1ccccc1O ZINC000156309259 1023458861 /nfs/dbraw/zinc/45/88/61/1023458861.db2.gz QOWISUUABBQXDR-LJQANCHMSA-N 1 0 343.467 4.357 20 10 EICDRO COc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c(O)c1OC ZINC000892964233 1023606605 /nfs/dbraw/zinc/60/66/05/1023606605.db2.gz ZYFGZZLEKJMNBW-QGZVFWFLSA-N 1 0 327.424 4.040 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000162624536 1023624622 /nfs/dbraw/zinc/62/46/22/1023624622.db2.gz HNXFGGLYXRZESE-INIZCTEOSA-N 1 0 339.483 4.320 20 10 EICDRO CN1CCc2cc(C[NH2+]Cc3ccc(CSC(F)F)o3)ccc21 ZINC000364454243 1023786355 /nfs/dbraw/zinc/78/63/55/1023786355.db2.gz YGYBBGFEOMQJRU-UHFFFAOYSA-N 1 0 338.423 4.018 20 10 EICDRO COc1ccc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000891569164 1023787278 /nfs/dbraw/zinc/78/72/78/1023787278.db2.gz QETRHJVXMRVTRL-CYBMUJFWSA-N 1 0 341.407 4.349 20 10 EICDRO O=C(c1ccccc1)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124003114 1023853442 /nfs/dbraw/zinc/85/34/42/1023853442.db2.gz XECKMMOFENUNOP-UHFFFAOYSA-N 1 0 329.827 4.141 20 10 EICDRO COc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c(O)c1OC ZINC000893401476 1023942287 /nfs/dbraw/zinc/94/22/87/1023942287.db2.gz IWGBQGNWTJJAHS-GOSISDBHSA-N 1 0 341.451 4.431 20 10 EICDRO Oc1cccc(Cl)c1CNc1ccccc1C[NH+]1CCSCC1 ZINC000125207615 1024202790 /nfs/dbraw/zinc/20/27/90/1024202790.db2.gz MOONUOTXKINVQC-UHFFFAOYSA-N 1 0 348.899 4.207 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c(O)c1C ZINC000277127896 1025079521 /nfs/dbraw/zinc/07/95/21/1025079521.db2.gz OESOZIFNQMDIDK-MMOPVJDHSA-N 1 0 325.452 4.437 20 10 EICDRO COc1ccccc1[C@@H](NCc1ccc2c(c1)CCO2)c1ccco1 ZINC000151116104 1025265910 /nfs/dbraw/zinc/26/59/10/1025265910.db2.gz HLYOFHYKCSIAFM-OAQYLSRUSA-N 1 0 335.403 4.102 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000156833906 1025668600 /nfs/dbraw/zinc/66/86/00/1025668600.db2.gz HCJBCHLSPRMISP-OALUTQOASA-N 1 0 327.468 4.235 20 10 EICDRO COc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119486 1025837052 /nfs/dbraw/zinc/83/70/52/1025837052.db2.gz DGDWXAZDTFDULL-HNNXBMFYSA-N 1 0 333.815 4.010 20 10 EICDRO CC[N@H+](Cc1ccc(C)c(Br)c1)Cc1ccccc1O ZINC001139731212 1026363228 /nfs/dbraw/zinc/36/32/28/1026363228.db2.gz FJIUJYCOJKVSPT-UHFFFAOYSA-N 1 0 334.257 4.485 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cccc(Br)c3)ccc21 ZINC000050266799 1026990689 /nfs/dbraw/zinc/99/06/89/1026990689.db2.gz YTMOBMFZSNZSAS-UHFFFAOYSA-N 1 0 345.284 4.121 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119348324 1027313298 /nfs/dbraw/zinc/31/32/98/1027313298.db2.gz KULHFWZLJBOXDO-INIZCTEOSA-N 1 0 326.488 4.040 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(O[C@H]2CCCCO2)cc1 ZINC001167624625 1027451818 /nfs/dbraw/zinc/45/18/18/1027451818.db2.gz BXWKHOPOYRMZSB-SFHVURJKSA-N 1 0 332.488 4.077 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cc(F)ccc1O ZINC000280981233 1028326520 /nfs/dbraw/zinc/32/65/20/1028326520.db2.gz LZXLEBWYGGEVDH-ZJUUUORDSA-N 1 0 339.208 4.101 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000281195288 1028430955 /nfs/dbraw/zinc/43/09/55/1028430955.db2.gz RNZKLBFIRGCDFU-NEPJUHHUSA-N 1 0 335.245 4.270 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1O ZINC000156966592 1028882254 /nfs/dbraw/zinc/88/22/54/1028882254.db2.gz DOJVKZDSPJGGHU-RHSMWYFYSA-N 1 0 337.423 4.287 20 10 EICDRO Cc1cc(Br)cc(CNc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841029152 1029054622 /nfs/dbraw/zinc/05/46/22/1029054622.db2.gz URDNCSGGROHBMW-LLVKDONJSA-N 1 0 335.245 4.095 20 10 EICDRO C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000841030153 1029106076 /nfs/dbraw/zinc/10/60/76/1029106076.db2.gz TYQNUFMLFJIQSZ-JTQLQIEISA-N 1 0 325.239 4.009 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCCCC2)cc1 ZINC000161888578 1029206503 /nfs/dbraw/zinc/20/65/03/1029206503.db2.gz DUVROLJYLJAYOW-QLIIJSOBSA-N 1 0 328.500 4.141 20 10 EICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317021 1029338814 /nfs/dbraw/zinc/33/88/14/1029338814.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 1 0 339.483 4.256 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000475189028 1029351665 /nfs/dbraw/zinc/35/16/65/1029351665.db2.gz CQRJIZZNMJHNPC-UHFFFAOYSA-N 1 0 344.462 4.475 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000475194537 1029404858 /nfs/dbraw/zinc/40/48/58/1029404858.db2.gz FIEOJIVQPIEOLG-UHFFFAOYSA-N 1 0 344.462 4.475 20 10 EICDRO COCC[C@@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000840835835 1029530939 /nfs/dbraw/zinc/53/09/39/1029530939.db2.gz QZNZUACSDGZCBP-YLJYHZDGSA-N 1 0 327.468 4.328 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000840860624 1029628566 /nfs/dbraw/zinc/62/85/66/1029628566.db2.gz VCAJIESTSLAYOL-NHCYSSNCSA-N 1 0 330.291 4.008 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000186192576 1030254550 /nfs/dbraw/zinc/25/45/50/1030254550.db2.gz ISWRJLVSKYSLEO-HUUCEWRRSA-N 1 0 337.423 4.205 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000186192267 1030255556 /nfs/dbraw/zinc/25/55/56/1030255556.db2.gz LFXLMEVKAKQBJN-CABCVRRESA-N 1 0 337.423 4.205 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000392975092 1030606056 /nfs/dbraw/zinc/60/60/56/1030606056.db2.gz CEFOLAUNRAYSFL-OAHLLOKOSA-N 1 0 338.451 4.355 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c(O)c1OC ZINC000892467723 1031158979 /nfs/dbraw/zinc/15/89/79/1031158979.db2.gz LFKVJQOXKDUHOR-KRWDZBQOSA-N 1 0 333.403 4.035 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000179584440 1031221695 /nfs/dbraw/zinc/22/16/95/1031221695.db2.gz PPUAZBVUGHLAMG-IBGZPJMESA-N 1 0 339.460 4.190 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000179583777 1031223360 /nfs/dbraw/zinc/22/33/60/1031223360.db2.gz ZBQLLBXTWMYRTH-HNNXBMFYSA-N 1 0 328.481 4.107 20 10 EICDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000179754850 1031283144 /nfs/dbraw/zinc/28/31/44/1031283144.db2.gz OUTIOKGSESWNTH-SFHVURJKSA-N 1 0 345.414 4.374 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C(C)C)cc1 ZINC000894156375 1034394748 /nfs/dbraw/zinc/39/47/48/1034394748.db2.gz HRAFIBQDEZZSRN-IBGZPJMESA-N 1 0 329.440 4.205 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1O ZINC000894206939 1034722939 /nfs/dbraw/zinc/72/29/39/1034722939.db2.gz PTOMTRLGRMILSI-UHFFFAOYSA-N 1 0 329.440 4.176 20 10 EICDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000178872432 1034801790 /nfs/dbraw/zinc/80/17/90/1034801790.db2.gz CSBPFAOEMWWKNO-UHFFFAOYSA-N 1 0 339.479 4.233 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cn(C)cn1 ZINC000924855791 1035619298 /nfs/dbraw/zinc/61/92/98/1035619298.db2.gz SEUQCSJACIWGAE-MRXNPFEDSA-N 1 0 326.488 4.040 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C ZINC000029656447 1035731989 /nfs/dbraw/zinc/73/19/89/1035731989.db2.gz MZBSNDBAMYVXFR-NRFANRHFSA-N 1 0 341.451 4.262 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1c(F)cccc1F ZINC000227438455 1035799977 /nfs/dbraw/zinc/79/99/77/1035799977.db2.gz MHHMKBNDIGCJRB-VIFPVBQESA-N 1 0 342.183 4.284 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000761217457 1036173827 /nfs/dbraw/zinc/17/38/27/1036173827.db2.gz VMHIRYSYGIBKGJ-MWLCHTKSSA-N 1 0 337.769 4.217 20 10 EICDRO CN(Cc1cnc(C(C)(C)C)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222294 1036259270 /nfs/dbraw/zinc/25/92/70/1036259270.db2.gz SNNAKGIRCNGQSN-UHFFFAOYSA-N 1 0 347.528 4.017 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1O ZINC000157015132 1036781759 /nfs/dbraw/zinc/78/17/59/1036781759.db2.gz VSFAJLJQYTWZGN-GOSISDBHSA-N 1 0 326.440 4.303 20 10 EICDRO CC[C@H]([NH2+]CC1CCSCC1)c1cc(Br)ccc1O ZINC000229215505 1036898210 /nfs/dbraw/zinc/89/82/10/1036898210.db2.gz PRVAJKAMUFDLPT-AWEZNQCLSA-N 1 0 344.318 4.339 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000163580831 1036992651 /nfs/dbraw/zinc/99/26/51/1036992651.db2.gz FZWLQMNJSQSBTC-AWEZNQCLSA-N 1 0 348.462 4.369 20 10 EICDRO C[C@H](c1ccccc1)[N@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000272055730 1037090368 /nfs/dbraw/zinc/09/03/68/1037090368.db2.gz RFKIZQMXRAXACN-QGZVFWFLSA-N 1 0 341.451 4.109 20 10 EICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273296579 1037399705 /nfs/dbraw/zinc/39/97/05/1037399705.db2.gz AIASTEHHOQLCKL-GJZGRUSLSA-N 1 0 326.440 4.379 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000273391023 1037444563 /nfs/dbraw/zinc/44/45/63/1037444563.db2.gz KPZAQLYQWDTFKI-OAHLLOKOSA-N 1 0 329.440 4.267 20 10 EICDRO COCC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425208 1037460329 /nfs/dbraw/zinc/46/03/29/1037460329.db2.gz KBKFXELNVOHRNC-KSSFIOAISA-N 1 0 329.440 4.292 20 10 EICDRO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1cc(F)ccc1O ZINC000273474218 1037478468 /nfs/dbraw/zinc/47/84/68/1037478468.db2.gz KHPOQHAYAQQZSO-VIFPVBQESA-N 1 0 329.293 4.123 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000273485669 1037480896 /nfs/dbraw/zinc/48/08/96/1037480896.db2.gz MHAWRXVOBKACGO-RBUKOAKNSA-N 1 0 329.415 4.192 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1C ZINC000273529569 1037493889 /nfs/dbraw/zinc/49/38/89/1037493889.db2.gz VYEDHTXHFHXHKG-HUYGQZFBSA-N 1 0 331.481 4.158 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000760956083 1037760568 /nfs/dbraw/zinc/76/05/68/1037760568.db2.gz UWEZBPXXQOMQNX-PGRDOPGGSA-N 1 0 336.479 4.057 20 10 EICDRO CCc1ccc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C(C)C)cc1 ZINC000063256014 1038143168 /nfs/dbraw/zinc/14/31/68/1038143168.db2.gz BDSQNCVLUWDGCF-HXUWFJFHSA-N 1 0 327.424 4.170 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(Br)s2)c1 ZINC000230659396 1038223894 /nfs/dbraw/zinc/22/38/94/1038223894.db2.gz DRJYQTKLWNSIIX-LLVKDONJSA-N 1 0 340.286 4.418 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)oc1C ZINC000800477444 1038240632 /nfs/dbraw/zinc/24/06/32/1038240632.db2.gz VFRCWQIJPJQUAQ-OAHLLOKOSA-N 1 0 330.497 4.300 20 10 EICDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000423922003 1038387983 /nfs/dbraw/zinc/38/79/83/1038387983.db2.gz ONCDUODBHUOJJU-LJQANCHMSA-N 1 0 336.479 4.239 20 10 EICDRO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163626061 1038409752 /nfs/dbraw/zinc/40/97/52/1038409752.db2.gz NFMAHJQCSOHDJH-OAQYLSRUSA-N 1 0 338.520 4.407 20 10 EICDRO O=C(Nc1cccc(N2CCCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026725 1038951645 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COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000287529330 1041461643 /nfs/dbraw/zinc/46/16/43/1041461643.db2.gz OWUMJHLWDHXSNZ-KRWDZBQOSA-N 1 0 343.467 4.275 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000108409831 1041732350 /nfs/dbraw/zinc/73/23/50/1041732350.db2.gz KNGOZXJYTVFACO-MRXNPFEDSA-N 1 0 328.431 4.108 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1O ZINC000761498757 1042871160 /nfs/dbraw/zinc/87/11/60/1042871160.db2.gz HACMTTIIGVUIJX-IFXJQAMLSA-N 1 0 346.421 4.238 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1O ZINC000761498759 1042871263 /nfs/dbraw/zinc/87/12/63/1042871263.db2.gz HACMTTIIGVUIJX-KUHUBIRLSA-N 1 0 346.421 4.238 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000152594412 1042913810 /nfs/dbraw/zinc/91/38/10/1042913810.db2.gz VYQNPMLDMHCYTO-GOSISDBHSA-N 1 0 348.494 4.238 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(N(C)C)cc1 ZINC000766030606 1043060928 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C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccccc1O ZINC000783503535 1043693923 /nfs/dbraw/zinc/69/39/23/1043693923.db2.gz CIRVPUBUOOTBFN-NSHDSACASA-N 1 0 338.220 4.187 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1SC ZINC000731752216 1043823119 /nfs/dbraw/zinc/82/31/19/1043823119.db2.gz UNKXMPVUCOVIIK-UHFFFAOYSA-N 1 0 330.497 4.115 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CCCO2 ZINC000766072830 1043876997 /nfs/dbraw/zinc/87/69/97/1043876997.db2.gz NMADNVNCIRVZHB-HNNXBMFYSA-N 1 0 334.510 4.437 20 10 EICDRO CCOc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1OCC ZINC000733323246 1044184621 /nfs/dbraw/zinc/18/46/21/1044184621.db2.gz SILJSBWFYKHWHH-UHFFFAOYSA-N 1 0 349.858 4.175 20 10 EICDRO CC[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000733325504 1044191192 /nfs/dbraw/zinc/19/11/92/1044191192.db2.gz PNHSPKXZNXBBEK-HNNXBMFYSA-N 1 0 333.815 4.058 20 10 EICDRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140402 1044334809 /nfs/dbraw/zinc/33/48/09/1044334809.db2.gz 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ZINC000895415066 1044731865 /nfs/dbraw/zinc/73/18/65/1044731865.db2.gz KAJAVHZICDGUMG-UHFFFAOYSA-N 1 0 331.359 4.079 20 10 EICDRO COc1cc(C)cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1O ZINC000895416387 1044736215 /nfs/dbraw/zinc/73/62/15/1044736215.db2.gz VJHHEGZDCJEGAC-UHFFFAOYSA-N 1 0 333.378 4.156 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000706841573 1044788652 /nfs/dbraw/zinc/78/86/52/1044788652.db2.gz AAHOSAUXPRCYEJ-JTQLQIEISA-N 1 0 334.204 4.070 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1F ZINC000153392440 1044841914 /nfs/dbraw/zinc/84/19/14/1044841914.db2.gz GFHZZMKBNHXHOW-CQSZACIVSA-N 1 0 328.431 4.068 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000735677980 1044854672 /nfs/dbraw/zinc/85/46/72/1044854672.db2.gz TXEPHTMDNDLPEC-ICSRJNTNSA-N 1 0 332.532 4.464 20 10 EICDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596874 1044956375 /nfs/dbraw/zinc/95/63/75/1044956375.db2.gz UOIOBTPSSROIQS-PBHICJAKSA-N 1 0 336.410 4.458 20 10 EICDRO CCN(C)c1ccccc1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740005462 1045174439 /nfs/dbraw/zinc/17/44/39/1045174439.db2.gz CYZAFHNYWGHMNB-UHFFFAOYSA-N 1 0 343.490 4.418 20 10 EICDRO Cn1cc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1 ZINC000915204800 1045180080 /nfs/dbraw/zinc/18/00/80/1045180080.db2.gz YAJDAGLRSPZCTR-UHFFFAOYSA-N 1 0 343.515 4.353 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000740900508 1045240905 /nfs/dbraw/zinc/24/09/05/1045240905.db2.gz SBJYTSPFZASMNL-CQSZACIVSA-N 1 0 346.641 4.176 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCC2CC(O)C2)c(O)c(C(C)(C)C)c1 ZINC000762504888 1045263475 /nfs/dbraw/zinc/26/34/75/1045263475.db2.gz YURBVUXNGJHPLL-UHFFFAOYSA-N 1 0 333.516 4.238 20 10 EICDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(C)c(C)cc1O ZINC000915814780 1045474888 /nfs/dbraw/zinc/47/48/88/1045474888.db2.gz OQEBBZJZUKBZFX-UHFFFAOYSA-N 1 0 340.467 4.168 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000915826199 1045498115 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CN(C)c1ccc(C[N@H+](Cc2cnc3ccccc3c2)C2CC2)cc1 ZINC000768256301 1045769385 /nfs/dbraw/zinc/76/93/85/1045769385.db2.gz BGJOZNAUDDMNBQ-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO COCCCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000791608939 1045773384 /nfs/dbraw/zinc/77/33/84/1045773384.db2.gz ASOKQJTUWCMEKX-NRFANRHFSA-N 1 0 326.484 4.400 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000768272500 1045775752 /nfs/dbraw/zinc/77/57/52/1045775752.db2.gz SHLXHYDXEWDVPP-HTQZYQBOSA-N 1 0 326.156 4.146 20 10 EICDRO CCCn1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000768353474 1045796174 /nfs/dbraw/zinc/79/61/74/1045796174.db2.gz VIGKJHQBKHMJOR-UHFFFAOYSA-N 1 0 342.531 4.387 20 10 EICDRO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(O)cc1C ZINC000768440578 1045807217 /nfs/dbraw/zinc/80/72/17/1045807217.db2.gz ACOWUDCJTZKGOK-UHFFFAOYSA-N 1 0 327.399 4.138 20 10 EICDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000768438662 1045807583 /nfs/dbraw/zinc/80/75/83/1045807583.db2.gz 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CC[N@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccc(N(C)C)cc1 ZINC001136987338 1048031923 /nfs/dbraw/zinc/03/19/23/1048031923.db2.gz UTRPCLYNYPCHTL-UHFFFAOYSA-N 1 0 325.431 4.395 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000808680129 1048035165 /nfs/dbraw/zinc/03/51/65/1048035165.db2.gz CQRYAAYWZZHBAN-KGLIPLIRSA-N 1 0 331.843 4.256 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000825130482 1048039739 /nfs/dbraw/zinc/03/97/39/1048039739.db2.gz YUPZUVJHVMKRBQ-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000825129720 1048040425 /nfs/dbraw/zinc/04/04/25/1048040425.db2.gz BLYTYESJUJNXTO-XHDPSFHLSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1O ZINC000808694366 1048042185 /nfs/dbraw/zinc/04/21/85/1048042185.db2.gz FAFBSOHOHHDCLT-BZNIZROVSA-N 1 0 331.847 4.181 20 10 EICDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1OC ZINC000808671879 1048045291 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C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000808722058 1048070461 /nfs/dbraw/zinc/07/04/61/1048070461.db2.gz YCXCSLFKNWUJSF-NJNPRVFISA-N 1 0 338.495 4.450 20 10 EICDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCSc1nccs1 ZINC000808695798 1048077059 /nfs/dbraw/zinc/07/70/59/1048077059.db2.gz OECNQWJHOJUICN-CYBMUJFWSA-N 1 0 338.473 4.050 20 10 EICDRO CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000155112552 1048169394 /nfs/dbraw/zinc/16/93/94/1048169394.db2.gz SMTVJMIYBOLVTN-IBGZPJMESA-N 1 0 325.452 4.181 20 10 EICDRO Cc1cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1N1CCCCC1 ZINC001170574100 1048284074 /nfs/dbraw/zinc/28/40/74/1048284074.db2.gz WVAMPBWYKMJFIH-QFIPXVFZSA-N 1 0 344.543 4.216 20 10 EICDRO Cc1cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1N1CCCCC1 ZINC001170574097 1048284479 /nfs/dbraw/zinc/28/44/79/1048284479.db2.gz WVAMPBWYKMJFIH-JOCHJYFZSA-N 1 0 344.543 4.216 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc2ccccc2o1 ZINC000815112588 1048327664 /nfs/dbraw/zinc/32/76/64/1048327664.db2.gz VGKXFMOXAVNOOH-LJQANCHMSA-N 1 0 339.435 4.474 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)ccc2F)cc1F ZINC000815124445 1048337689 /nfs/dbraw/zinc/33/76/89/1048337689.db2.gz YNQKMPHNRIQAEC-UHFFFAOYSA-N 1 0 334.410 4.109 20 10 EICDRO Cc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)ccc1N(C)C ZINC000815124155 1048339020 /nfs/dbraw/zinc/33/90/20/1048339020.db2.gz ONBWGRZRGSVJCF-OAQYLSRUSA-N 1 0 338.495 4.055 20 10 EICDRO COc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cc1C ZINC000815150148 1048348195 /nfs/dbraw/zinc/34/81/95/1048348195.db2.gz POFZNKHXSUYEQZ-UHFFFAOYSA-N 1 0 343.442 4.024 20 10 EICDRO COc1cccc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c1O ZINC000809690093 1048457342 /nfs/dbraw/zinc/45/73/42/1048457342.db2.gz GXGJHRIRVWEAKG-IBGZPJMESA-N 1 0 347.405 4.463 20 10 EICDRO Oc1cccc(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)c1O ZINC001171146397 1048458855 /nfs/dbraw/zinc/45/88/55/1048458855.db2.gz CEDHMNJTGGJPRO-ZDUSSCGKSA-N 1 0 338.234 4.052 20 10 EICDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700962 1048464258 /nfs/dbraw/zinc/46/42/58/1048464258.db2.gz RVFZPAHFHHJQTC-WIYYLYMNSA-N 1 0 330.516 4.192 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809700117 1048466356 /nfs/dbraw/zinc/46/63/56/1048466356.db2.gz XVHORLSDDCIBNJ-SUMDDJOVSA-N 1 0 343.854 4.050 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809699992 1048466615 /nfs/dbraw/zinc/46/66/15/1048466615.db2.gz VPEBRQGUGGHARZ-CEXWTWQISA-N 1 0 343.854 4.050 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1O ZINC000809776574 1048505781 /nfs/dbraw/zinc/50/57/81/1048505781.db2.gz JPOHUMDOGITSHP-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000815559096 1048508135 /nfs/dbraw/zinc/50/81/35/1048508135.db2.gz XOHAUONWXPUCKF-GOSISDBHSA-N 1 0 339.479 4.408 20 10 EICDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)O[C@H](C)C2 ZINC000815557907 1048508186 /nfs/dbraw/zinc/50/81/86/1048508186.db2.gz JTKOTDRYJKKYSZ-CABCVRRESA-N 1 0 341.451 4.192 20 10 EICDRO Cc1nccn1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815561190 1048509350 /nfs/dbraw/zinc/50/93/50/1048509350.db2.gz AMLVQKDHTGFFEU-OAQYLSRUSA-N 1 0 349.478 4.251 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)c1O ZINC000809739526 1048510008 /nfs/dbraw/zinc/51/00/08/1048510008.db2.gz NGLRYTDZHBDUKY-DOTOQJQBSA-N 1 0 331.843 4.480 20 10 EICDRO Cc1cccc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1O ZINC000809783847 1048532601 /nfs/dbraw/zinc/53/26/01/1048532601.db2.gz NEOWBSWYWCKALG-UHFFFAOYSA-N 1 0 328.456 4.200 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)N2CCCC2)o1 ZINC000815573102 1048537386 /nfs/dbraw/zinc/53/73/86/1048537386.db2.gz YCNSSDPQSCXSEN-ZWKOTPCHSA-N 1 0 342.483 4.398 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000815619167 1048544764 /nfs/dbraw/zinc/54/47/64/1048544764.db2.gz FLDISOOOWGBPIG-MRXNPFEDSA-N 1 0 339.357 4.192 20 10 EICDRO COc1cccc(C2(C[NH2+][C@H](C)c3c(C)cc(C)cc3O)CC2)c1 ZINC000815626623 1048550609 /nfs/dbraw/zinc/55/06/09/1048550609.db2.gz IMVOFYUKVTXZJY-MRXNPFEDSA-N 1 0 325.452 4.400 20 10 EICDRO CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000844926945 1048552015 /nfs/dbraw/zinc/55/20/15/1048552015.db2.gz WZGZCCUMVCTROK-HNNXBMFYSA-N 1 0 331.287 4.129 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815629322 1048554110 /nfs/dbraw/zinc/55/41/10/1048554110.db2.gz ZTWVTMUYPRKIQP-HZPDHXFCSA-N 1 0 328.431 4.078 20 10 EICDRO CC(C)(C)OCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815604574 1048555970 /nfs/dbraw/zinc/55/59/70/1048555970.db2.gz TXDYBIDVJQALKO-LJQANCHMSA-N 1 0 327.468 4.471 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N(C)C)cc1 ZINC000815660097 1048561913 /nfs/dbraw/zinc/56/19/13/1048561913.db2.gz RHCUQFMQUVJNKN-SCLBCKFNSA-N 1 0 348.487 4.207 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N(C)C)cc1 ZINC000815660184 1048562134 /nfs/dbraw/zinc/56/21/34/1048562134.db2.gz UBDWRWWSTMKXOJ-BEFAXECRSA-N 1 0 344.524 4.376 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000815659989 1048562524 /nfs/dbraw/zinc/56/25/24/1048562524.db2.gz PHDUZVFUKFDEAN-RDTXWAMCSA-N 1 0 330.497 4.068 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000815636121 1048565080 /nfs/dbraw/zinc/56/50/80/1048565080.db2.gz PGINBZSHUYWCFO-HUUCEWRRSA-N 1 0 340.423 4.151 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000815647645 1048573460 /nfs/dbraw/zinc/57/34/60/1048573460.db2.gz QNMWAPWBWDWRDA-LSDHHAIUSA-N 1 0 339.414 4.437 20 10 EICDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1C(F)(F)F ZINC001144391528 1048626932 /nfs/dbraw/zinc/62/69/32/1048626932.db2.gz ONAYZMGIEYHEEB-UHFFFAOYSA-N 1 0 325.330 4.139 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(C(F)(F)F)cc1O ZINC000810212600 1048682268 /nfs/dbraw/zinc/68/22/68/1048682268.db2.gz CSARVZURUGWVPC-MRXNPFEDSA-N 1 0 339.357 4.144 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1O ZINC000810212601 1048682618 /nfs/dbraw/zinc/68/26/18/1048682618.db2.gz CSIKTGOOKFYPOP-AWEZNQCLSA-N 1 0 328.334 4.257 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccccc1O)c1ccc(C(F)(F)F)cc1O ZINC000810214574 1048684167 /nfs/dbraw/zinc/68/41/67/1048684167.db2.gz BTTWSLVRBMDFBX-OAHLLOKOSA-N 1 0 339.357 4.400 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810227771 1048695507 /nfs/dbraw/zinc/69/55/07/1048695507.db2.gz JBFVQMRVQIDGMG-BMIGLBTASA-N 1 0 341.377 4.114 20 10 EICDRO CC[C@H]([NH2+]CCCc1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000810228783 1048695998 /nfs/dbraw/zinc/69/59/98/1048695998.db2.gz YTEYBTSNEXDRPO-INIZCTEOSA-N 1 0 338.373 4.480 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209963 1048705953 /nfs/dbraw/zinc/70/59/53/1048705953.db2.gz XSKJYFWJXYFSJN-JYJNAYRXSA-N 1 0 342.405 4.079 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)c1O ZINC000748049463 1048708547 /nfs/dbraw/zinc/70/85/47/1048708547.db2.gz AZXSOANADVYTGL-UHFFFAOYSA-N 1 0 335.806 4.412 20 10 EICDRO CC[N@H+](Cc1ccc(Cl)cc1Cl)Cc1c(O)cc(O)cc1O ZINC001144515523 1048711018 /nfs/dbraw/zinc/71/10/18/1048711018.db2.gz ABQACPKNTBAFQU-UHFFFAOYSA-N 1 0 342.222 4.132 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238000 1048719539 /nfs/dbraw/zinc/71/95/39/1048719539.db2.gz WQWLBLHJFMSTOV-KMFMINBZSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810237304 1048722757 /nfs/dbraw/zinc/72/27/57/1048722757.db2.gz FVONQISMUPQVOJ-MRXNPFEDSA-N 1 0 338.373 4.398 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)c2c1c(F)ccc2O ZINC000810252786 1048730048 /nfs/dbraw/zinc/73/00/48/1048730048.db2.gz JGBQVMCONUEACJ-CILWKZBWSA-N 1 0 347.455 4.219 20 10 EICDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016870 1048785387 /nfs/dbraw/zinc/78/53/87/1048785387.db2.gz KEVLLNZUBGAVMX-HRAATJIYSA-N 1 0 342.458 4.028 20 10 EICDRO Oc1ccccc1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846056734 1048791765 /nfs/dbraw/zinc/79/17/65/1048791765.db2.gz YNQKXPNJCBXGQS-UHFFFAOYSA-N 1 0 328.481 4.192 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)ccc1OC ZINC000846040254 1048803677 /nfs/dbraw/zinc/80/36/77/1048803677.db2.gz XCXHCGWOTRHEGP-IAGOWNOFSA-N 1 0 329.843 4.026 20 10 EICDRO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(C2CCCCC2)n1 ZINC000846055580 1048808387 /nfs/dbraw/zinc/80/83/87/1048808387.db2.gz NGNRYRIAHVXVBC-UHFFFAOYSA-N 1 0 333.863 4.117 20 10 EICDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1OCCc2ccccc21 ZINC000816495846 1048815541 /nfs/dbraw/zinc/81/55/41/1048815541.db2.gz LMVYHNNJPKOZEE-NRFANRHFSA-N 1 0 333.431 4.291 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117446 1048815632 /nfs/dbraw/zinc/81/56/32/1048815632.db2.gz PZGJMQGTMMXTBZ-AWEZNQCLSA-N 1 0 334.332 4.003 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502231 1048821364 /nfs/dbraw/zinc/82/13/64/1048821364.db2.gz SHQBRSAHWSRSPK-HXUWFJFHSA-N 1 0 337.394 4.258 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846105633 1048822642 /nfs/dbraw/zinc/82/26/42/1048822642.db2.gz XHAKVFJUEXCVOP-AWEZNQCLSA-N 1 0 346.215 4.084 20 10 EICDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846157618 1048824942 /nfs/dbraw/zinc/82/49/42/1048824942.db2.gz NAQMWOVYUHKLNY-CQSZACIVSA-N 1 0 329.440 4.038 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)c1O ZINC000846156723 1048825167 /nfs/dbraw/zinc/82/51/67/1048825167.db2.gz HCNLHRQTGVFKTH-LBPRGKRZSA-N 1 0 333.378 4.061 20 10 EICDRO COc1ccccc1C1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816544800 1048826664 /nfs/dbraw/zinc/82/66/64/1048826664.db2.gz ULDABPMEDGESBP-UHFFFAOYSA-N 1 0 333.431 4.375 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000846165858 1048826732 /nfs/dbraw/zinc/82/67/32/1048826732.db2.gz OCYLIGLYYZKZKS-YRNRMSPPSA-N 1 0 342.483 4.051 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)c1O ZINC000846162903 1048827051 /nfs/dbraw/zinc/82/70/51/1048827051.db2.gz NOTPEVHREUQTHL-MLGOLLRUSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141624 1048830825 /nfs/dbraw/zinc/83/08/25/1048830825.db2.gz LAMPGWRNGVRJGD-BLLLJJGKSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC2CC2)c1O ZINC000846144675 1048832033 /nfs/dbraw/zinc/83/20/33/1048832033.db2.gz LQJNCPIJTKTWQE-AWEZNQCLSA-N 1 0 327.424 4.040 20 10 EICDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816590646 1048832672 /nfs/dbraw/zinc/83/26/72/1048832672.db2.gz HKRYZMHUOYWPNG-SBUREZEXSA-N 1 0 349.474 4.265 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000846146620 1048833035 /nfs/dbraw/zinc/83/30/35/1048833035.db2.gz SSQIYWLFWWIZKQ-LUQKVYGDSA-N 1 0 341.451 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000846144154 1048833321 /nfs/dbraw/zinc/83/33/21/1048833321.db2.gz GEKIUKPGGUMXIT-SUMWQHHRSA-N 1 0 348.874 4.008 20 10 EICDRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816553883 1048833769 /nfs/dbraw/zinc/83/37/69/1048833769.db2.gz JFWMFZKRGHFTIL-HNNXBMFYSA-N 1 0 337.419 4.111 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207202 1048833953 /nfs/dbraw/zinc/83/39/53/1048833953.db2.gz LJNMPWRRAXDXCL-VQIMIIECSA-N 1 0 335.451 4.069 20 10 EICDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC000816600951 1048842038 /nfs/dbraw/zinc/84/20/38/1048842038.db2.gz LZGPRLLDQOKCJJ-MOPGFXCFSA-N 1 0 345.446 4.099 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000816608675 1048843823 /nfs/dbraw/zinc/84/38/23/1048843823.db2.gz GUHIPSMMVBOSAS-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816665933 1048851713 /nfs/dbraw/zinc/85/17/13/1048851713.db2.gz AJSCIFGLXYCICL-FGZHOGPDSA-N 1 0 335.447 4.203 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)c1O ZINC001170855628 1048904456 /nfs/dbraw/zinc/90/44/56/1048904456.db2.gz APXOMARGWRPZRB-QGZVFWFLSA-N 1 0 346.268 4.110 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000817415563 1048966909 /nfs/dbraw/zinc/96/69/09/1048966909.db2.gz UZPSTMWUMVKLNO-PKOBYXMFSA-N 1 0 344.524 4.432 20 10 EICDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943850 1049061418 /nfs/dbraw/zinc/06/14/18/1049061418.db2.gz VZVHTEAJGJNTSP-XWIAVFTESA-N 1 0 329.513 4.042 20 10 EICDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943848 1049062289 /nfs/dbraw/zinc/06/22/89/1049062289.db2.gz VZVHTEAJGJNTSP-FSPWUOQZSA-N 1 0 329.513 4.042 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966637 1049072959 /nfs/dbraw/zinc/07/29/59/1049072959.db2.gz SDTFNNUNRPGVCS-CZUORRHYSA-N 1 0 331.287 4.129 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)c1O ZINC000811520940 1049105509 /nfs/dbraw/zinc/10/55/09/1049105509.db2.gz XCQSPERLQMOESA-INIZCTEOSA-N 1 0 338.451 4.068 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(c4ccccc4)C3)C2)cc1 ZINC000818341581 1049135095 /nfs/dbraw/zinc/13/50/95/1049135095.db2.gz BHIWIIYEWMSRCH-KKXNLOMOSA-N 1 0 336.479 4.057 20 10 EICDRO CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000818342926 1049135200 /nfs/dbraw/zinc/13/52/00/1049135200.db2.gz WMVBEKGWUGPRHV-UTKZUKDTSA-N 1 0 339.483 4.048 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987458 1049265215 /nfs/dbraw/zinc/26/52/15/1049265215.db2.gz WEUJALBJIMXORP-BEFAXECRSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800750 1049271422 /nfs/dbraw/zinc/27/14/22/1049271422.db2.gz BHYFBKJDMXMNPL-INIZCTEOSA-N 1 0 333.863 4.121 20 10 EICDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000105827777 1049520804 /nfs/dbraw/zinc/52/08/04/1049520804.db2.gz CTUWNGDRCFNDAI-FQEVSTJZSA-N 1 0 344.886 4.154 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006074 1049521470 /nfs/dbraw/zinc/52/14/70/1049521470.db2.gz BVJZBBMHYGLHCS-IIBYNOLFSA-N 1 0 342.458 4.200 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000812735230 1049555050 /nfs/dbraw/zinc/55/50/50/1049555050.db2.gz YFBDQLFGDWJAJD-GDBMZVCRSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N2CCCCC2)cc1 ZINC000812736781 1049556196 /nfs/dbraw/zinc/55/61/96/1049556196.db2.gz CUTJVHKSSAIDHX-KRWDZBQOSA-N 1 0 348.494 4.414 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1O ZINC000812736933 1049557913 /nfs/dbraw/zinc/55/79/13/1049557913.db2.gz FOHUMELODKCEIJ-INIZCTEOSA-N 1 0 329.831 4.173 20 10 EICDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000773066594 1049558671 /nfs/dbraw/zinc/55/86/71/1049558671.db2.gz VVCPLQSDQNNQKM-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000773077347 1049566608 /nfs/dbraw/zinc/56/66/08/1049566608.db2.gz CXUDLRRJLHTMOC-MJGOQNOKSA-N 1 0 328.500 4.429 20 10 EICDRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773118422 1049590053 /nfs/dbraw/zinc/59/00/53/1049590053.db2.gz ZJWDZVAGBLUHHC-MRXNPFEDSA-N 1 0 342.483 4.053 20 10 EICDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000037000695 1049653175 /nfs/dbraw/zinc/65/31/75/1049653175.db2.gz BBONWJHEQTWWEB-OLZOCXBDSA-N 1 0 334.257 4.437 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)ccc1O ZINC000036993965 1049654141 /nfs/dbraw/zinc/65/41/41/1049654141.db2.gz PBYPNKWCROGHHQ-XHDPSFHLSA-N 1 0 338.245 4.420 20 10 EICDRO COCC1(C)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000773268308 1049680575 /nfs/dbraw/zinc/68/05/75/1049680575.db2.gz LLBKONHQDDFEEM-UHFFFAOYSA-N 1 0 343.467 4.266 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000813334613 1049754425 /nfs/dbraw/zinc/75/44/25/1049754425.db2.gz RNDXXOYECOFQEE-UHFFFAOYSA-N 1 0 328.431 4.154 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822529794 1049768612 /nfs/dbraw/zinc/76/86/12/1049768612.db2.gz JGNHKDVSERMQPB-OMUFJYGLSA-N 1 0 340.511 4.047 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)c2ccccc2)ccc1OC ZINC000747853725 1049769623 /nfs/dbraw/zinc/76/96/23/1049769623.db2.gz DGIFPHUKQIWPLJ-UHFFFAOYSA-N 1 0 327.468 4.299 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963627 1049815727 /nfs/dbraw/zinc/81/57/27/1049815727.db2.gz VHXXNSMFWWZJSV-IFXJQAMLSA-N 1 0 328.431 4.456 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000813792789 1049818641 /nfs/dbraw/zinc/81/86/41/1049818641.db2.gz COUZNJXVLLIFSL-FOIQADDNSA-N 1 0 344.524 4.386 20 10 EICDRO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CS2 ZINC001172182997 1049860450 /nfs/dbraw/zinc/86/04/50/1049860450.db2.gz AVTGECWKQBMRJY-LJQANCHMSA-N 1 0 338.520 4.484 20 10 EICDRO Oc1ccccc1C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000238109494 1049881530 /nfs/dbraw/zinc/88/15/30/1049881530.db2.gz JVKXFRHZRRMEIS-IBGZPJMESA-N 1 0 337.394 4.441 20 10 EICDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823924893 1049887969 /nfs/dbraw/zinc/88/79/69/1049887969.db2.gz WFEYGRINJCSTSL-GOSISDBHSA-N 1 0 332.513 4.025 20 10 EICDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823921692 1049888082 /nfs/dbraw/zinc/88/80/82/1049888082.db2.gz KCNMXLKTJOSXJH-MRXNPFEDSA-N 1 0 346.540 4.271 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000180649674 1049921587 /nfs/dbraw/zinc/92/15/87/1049921587.db2.gz YGTYMCWBAGUXAK-LJQANCHMSA-N 1 0 337.419 4.029 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325925 1050098747 /nfs/dbraw/zinc/09/87/47/1050098747.db2.gz VRMNMOLDAKYVJV-KUHUBIRLSA-N 1 0 328.431 4.456 20 10 EICDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177334728 1050194027 /nfs/dbraw/zinc/19/40/27/1050194027.db2.gz YOLLZSBFHNTNSN-PKOBYXMFSA-N 1 0 348.506 4.357 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cccc2c[nH]nc21 ZINC000154707208 1050265570 /nfs/dbraw/zinc/26/55/70/1050265570.db2.gz LKTRFMBWIAHBHZ-UHFFFAOYSA-N 1 0 333.391 4.064 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC001173075170 1050290410 /nfs/dbraw/zinc/29/04/10/1050290410.db2.gz KVGSAZDZRPKZJX-CYBMUJFWSA-N 1 0 339.357 4.320 20 10 EICDRO CCCCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001177962596 1050332456 /nfs/dbraw/zinc/33/24/56/1050332456.db2.gz RQAICKGZMOGJFO-GUKSKWGUSA-N 1 0 330.516 4.339 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1 ZINC001178375065 1050449243 /nfs/dbraw/zinc/44/92/43/1050449243.db2.gz XFBQFVNMZOGFEJ-YJBOKZPZSA-N 1 0 332.513 4.196 20 10 EICDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC001178431574 1050455605 /nfs/dbraw/zinc/45/56/05/1050455605.db2.gz SAIQZHIJNGDHBO-UHFFFAOYSA-N 1 0 334.479 4.112 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1 ZINC001178492727 1050467986 /nfs/dbraw/zinc/46/79/86/1050467986.db2.gz NOEKSXQQUUXHRT-UNMCSNQZSA-N 1 0 338.495 4.370 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC001178492386 1050483511 /nfs/dbraw/zinc/48/35/11/1050483511.db2.gz KLQAVYNVVXPGRZ-KRWDZBQOSA-N 1 0 326.484 4.458 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(CC)cc2)cc1C ZINC001178694563 1050535086 /nfs/dbraw/zinc/53/50/86/1050535086.db2.gz OGYCAJHEDOXHIX-HXUWFJFHSA-N 1 0 327.468 4.169 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC001178736375 1050540264 /nfs/dbraw/zinc/54/02/64/1050540264.db2.gz BHBKITBAHGMBFR-FXAWDEMLSA-N 1 0 344.524 4.025 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC001178754468 1050544916 /nfs/dbraw/zinc/54/49/16/1050544916.db2.gz OMTTWTAKUWZIGM-SFHVURJKSA-N 1 0 330.497 4.042 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1O ZINC000775128444 1050563662 /nfs/dbraw/zinc/56/36/62/1050563662.db2.gz CKLCCRLOYTVOGE-LBPRGKRZSA-N 1 0 325.330 4.184 20 10 EICDRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccccc1O ZINC000775130570 1050577633 /nfs/dbraw/zinc/57/76/33/1050577633.db2.gz MCEUSIHWVBNTMV-GFCCVEGCSA-N 1 0 325.330 4.141 20 10 EICDRO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001178986491 1050604998 /nfs/dbraw/zinc/60/49/98/1050604998.db2.gz NAVUNRNQUJRSBD-FQEVSTJZSA-N 1 0 330.516 4.098 20 10 EICDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000763522642 1050613296 /nfs/dbraw/zinc/61/32/96/1050613296.db2.gz FMPVWFFEAUZJOU-YWZLYKJASA-N 1 0 337.419 4.254 20 10 EICDRO [O-]c1c(Br)cccc1C[NH2+]Cc1cscc1Cl ZINC000775153085 1050650648 /nfs/dbraw/zinc/65/06/48/1050650648.db2.gz RBHZBMVEMPCHHC-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1C ZINC001179277431 1050668641 /nfs/dbraw/zinc/66/86/41/1050668641.db2.gz GBXHDSFCDHJJFD-OAQYLSRUSA-N 1 0 345.458 4.006 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000182457986 1050672905 /nfs/dbraw/zinc/67/29/05/1050672905.db2.gz AQDXHAWRXOTQEK-NSHDSACASA-N 1 0 346.477 4.437 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1C ZINC001179390565 1050688435 /nfs/dbraw/zinc/68/84/35/1050688435.db2.gz JLFBVCOGVIVPQQ-UHFFFAOYSA-N 1 0 349.272 4.231 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC001179432715 1050691177 /nfs/dbraw/zinc/69/11/77/1050691177.db2.gz IAWVNNJMGBHMSY-UHFFFAOYSA-N 1 0 330.516 4.362 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC001179789003 1050778555 /nfs/dbraw/zinc/77/85/55/1050778555.db2.gz LCKGINCRTYGJFT-FYCOFBDGSA-N 1 0 340.467 4.134 20 10 EICDRO CCOC(=O)CC(C)(C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001179845051 1050796726 /nfs/dbraw/zinc/79/67/26/1050796726.db2.gz IJEZLONEKWOPHJ-UHFFFAOYSA-N 1 0 346.515 4.088 20 10 EICDRO COc1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)ccc1C ZINC001179845342 1050797926 /nfs/dbraw/zinc/79/79/26/1050797926.db2.gz PJTDZVXWOKMQEX-UHFFFAOYSA-N 1 0 339.483 4.021 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000773838592 1050818571 /nfs/dbraw/zinc/81/85/71/1050818571.db2.gz IWWWRFBEWTVFPG-UHFFFAOYSA-N 1 0 340.515 4.032 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)CCCOc2ccc(F)cc2)cc1Cl ZINC001179988163 1050842673 /nfs/dbraw/zinc/84/26/73/1050842673.db2.gz AXZAFLSMDPMZFL-UHFFFAOYSA-N 1 0 337.822 4.394 20 10 EICDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H](C)c3nccs3)c2c1 ZINC000182855563 1050853716 /nfs/dbraw/zinc/85/37/16/1050853716.db2.gz YCKBSAXHLJYFLJ-ZDUSSCGKSA-N 1 0 342.464 4.246 20 10 EICDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001180076347 1050874663 /nfs/dbraw/zinc/87/46/63/1050874663.db2.gz FPZHWRRPAKCIGF-OAHLLOKOSA-N 1 0 346.268 4.219 20 10 EICDRO Cc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077236 1050875595 /nfs/dbraw/zinc/87/55/95/1050875595.db2.gz OCNPRRCWLXYCCY-YVEFUNNKSA-N 1 0 337.872 4.378 20 10 EICDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H]2CC(C)C)c2cc(F)ccc2n1C ZINC001180128943 1050881859 /nfs/dbraw/zinc/88/18/59/1050881859.db2.gz DPHIRPJGMJEJIL-OAHLLOKOSA-N 1 0 346.446 4.115 20 10 EICDRO COc1ccc(C[C@H]2CC[N@@H+]2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115666 1050889967 /nfs/dbraw/zinc/88/99/67/1050889967.db2.gz BMQLVOIZPJCJBF-KTBYTZPXSA-N 1 0 336.479 4.091 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198673 1050926042 /nfs/dbraw/zinc/92/60/42/1050926042.db2.gz HCVAQZIHFUGFRS-CQSZACIVSA-N 1 0 332.435 4.099 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)c1O ZINC001180345319 1050963287 /nfs/dbraw/zinc/96/32/87/1050963287.db2.gz UXIIZACBBRUUCL-YJYMSZOUSA-N 1 0 333.859 4.474 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000183105654 1050979300 /nfs/dbraw/zinc/97/93/00/1050979300.db2.gz ZVLCGLLAASWEIN-QWHCGFSZSA-N 1 0 330.384 4.029 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000183105621 1050981282 /nfs/dbraw/zinc/98/12/82/1050981282.db2.gz ZVLCGLLAASWEIN-STQMWFEESA-N 1 0 330.384 4.029 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000324939271 1051003383 /nfs/dbraw/zinc/00/33/83/1051003383.db2.gz ZWPVZBNFPIPCMW-KRWDZBQOSA-N 1 0 326.484 4.349 20 10 EICDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000183250829 1051039363 /nfs/dbraw/zinc/03/93/63/1051039363.db2.gz IDOVBNOYXRFTSH-MRXNPFEDSA-N 1 0 329.513 4.369 20 10 EICDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1C ZINC001180961690 1051120747 /nfs/dbraw/zinc/12/07/47/1051120747.db2.gz GDNUTUIPHUHWLU-QFIPXVFZSA-N 1 0 340.511 4.224 20 10 EICDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180962003 1051121939 /nfs/dbraw/zinc/12/19/39/1051121939.db2.gz IZLMMFCSBSVBPM-LJQANCHMSA-N 1 0 333.859 4.209 20 10 EICDRO COc1cc(C)cc(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)c1O ZINC001180997692 1051128348 /nfs/dbraw/zinc/12/83/48/1051128348.db2.gz YDQILJHNSWBLHX-GOSISDBHSA-N 1 0 327.468 4.314 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccc(N(C)C)cc1 ZINC000775363888 1051129758 /nfs/dbraw/zinc/12/97/58/1051129758.db2.gz NEDYAGMHLHDYTH-INIZCTEOSA-N 1 0 348.450 4.186 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c1 ZINC001181102254 1051150583 /nfs/dbraw/zinc/15/05/83/1051150583.db2.gz KWPWLSKNSCFRDE-UHFFFAOYSA-N 1 0 340.442 4.479 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000775376758 1051158020 /nfs/dbraw/zinc/15/80/20/1051158020.db2.gz ZJYRNZUYYZOTJF-LBPRGKRZSA-N 1 0 342.826 4.453 20 10 EICDRO COc1cccc(OCC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001190436419 1051186168 /nfs/dbraw/zinc/18/61/68/1051186168.db2.gz FAMHDDBMWRWRAZ-UHFFFAOYSA-N 1 0 342.483 4.051 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccncc2CC)ccc1OC ZINC000773426590 1051250555 /nfs/dbraw/zinc/25/05/55/1051250555.db2.gz DZDFEAMVMQRYOE-HNNXBMFYSA-N 1 0 328.456 4.040 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)c1ccccc1O ZINC000775411203 1051274867 /nfs/dbraw/zinc/27/48/67/1051274867.db2.gz CUYFRZXLAOVWRI-QGZVFWFLSA-N 1 0 338.407 4.297 20 10 EICDRO COc1cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC001181763245 1051298504 /nfs/dbraw/zinc/29/85/04/1051298504.db2.gz GNOYZZYFDVRYRF-CQSZACIVSA-N 1 0 343.467 4.125 20 10 EICDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cc2C)c(O)c1OC ZINC001182043822 1051379385 /nfs/dbraw/zinc/37/93/85/1051379385.db2.gz PCOOABQQTWAEGQ-UHFFFAOYSA-N 1 0 343.467 4.094 20 10 EICDRO CC(C)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097932 1051399103 /nfs/dbraw/zinc/39/91/03/1051399103.db2.gz BFWQJUIVRHJJPT-QGZVFWFLSA-N 1 0 344.421 4.018 20 10 EICDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000183801388 1051441714 /nfs/dbraw/zinc/44/17/14/1051441714.db2.gz LNHRJEYYNYQIKK-INIZCTEOSA-N 1 0 341.451 4.099 20 10 EICDRO CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774114786 1051459120 /nfs/dbraw/zinc/45/91/20/1051459120.db2.gz JITVYKUZNKTXOR-GFCCVEGCSA-N 1 0 345.314 4.470 20 10 EICDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213505 1051497851 /nfs/dbraw/zinc/49/78/51/1051497851.db2.gz OAKARJXDXSKEBH-SDDRHHMPSA-N 1 0 331.287 4.222 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1cccc(Br)c1Cl ZINC001191682318 1051507749 /nfs/dbraw/zinc/50/77/49/1051507749.db2.gz PMVISXMWEPYYRB-UHFFFAOYSA-N 1 0 340.648 4.440 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2C)c(O)c1 ZINC001182345829 1051513097 /nfs/dbraw/zinc/51/30/97/1051513097.db2.gz RYLLZOAXOCOUMM-LJQANCHMSA-N 1 0 329.415 4.494 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271291 1051540797 /nfs/dbraw/zinc/54/07/97/1051540797.db2.gz IOLAIGPHQILJRY-KTCLOZQLSA-N 1 0 342.266 4.307 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1O ZINC000775483214 1051551449 /nfs/dbraw/zinc/55/14/49/1051551449.db2.gz PJEJCCAKGXQQAS-INIZCTEOSA-N 1 0 349.858 4.346 20 10 EICDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1O ZINC000774379333 1051568310 /nfs/dbraw/zinc/56/83/10/1051568310.db2.gz OLAZOSMLCCNTJT-LLVKDONJSA-N 1 0 343.748 4.003 20 10 EICDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@H]1C ZINC001182452509 1051579652 /nfs/dbraw/zinc/57/96/52/1051579652.db2.gz OFYYEMKTNZJHGQ-ZACQAIPSSA-N 1 0 325.452 4.448 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1cc(Cl)ccc1O ZINC000775491759 1051589226 /nfs/dbraw/zinc/58/92/26/1051589226.db2.gz IXSIJYIMVJBQSV-QGZVFWFLSA-N 1 0 349.858 4.312 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1cc(Cl)ccc1O ZINC000775492863 1051591952 /nfs/dbraw/zinc/59/19/52/1051591952.db2.gz PGWXEYFGUHCSEO-GOSISDBHSA-N 1 0 349.858 4.312 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000774482088 1051612125 /nfs/dbraw/zinc/61/21/25/1051612125.db2.gz FPNKOHHLIDJEAC-KGLIPLIRSA-N 1 0 345.874 4.084 20 10 EICDRO CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775497790 1051618478 /nfs/dbraw/zinc/61/84/78/1051618478.db2.gz UEHWPGWMQDLXID-SKDRFNHKSA-N 1 0 325.758 4.054 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000273440149 1051622815 /nfs/dbraw/zinc/62/28/15/1051622815.db2.gz YELLKTLTTHUBAV-RYUDHWBXSA-N 1 0 337.366 4.414 20 10 EICDRO CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC1(C)C ZINC001182509891 1051624518 /nfs/dbraw/zinc/62/45/18/1051624518.db2.gz YWDLXKURAVGFOP-DBVUQKKJSA-N 1 0 330.516 4.326 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)cn1 ZINC000775501181 1051625803 /nfs/dbraw/zinc/62/58/03/1051625803.db2.gz CLFJTIZNNZGHDN-INIZCTEOSA-N 1 0 334.847 4.470 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O ZINC000775498785 1051629809 /nfs/dbraw/zinc/62/98/09/1051629809.db2.gz OCBFXEKXTCIPEW-MRXNPFEDSA-N 1 0 334.803 4.237 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC001182545982 1051635950 /nfs/dbraw/zinc/63/59/50/1051635950.db2.gz YRYRYKMMBRZYDA-SFHVURJKSA-N 1 0 342.508 4.094 20 10 EICDRO CC[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccccc1O ZINC000775522323 1051686502 /nfs/dbraw/zinc/68/65/02/1051686502.db2.gz MPQPOUJCVCCDLF-AWEZNQCLSA-N 1 0 341.238 4.214 20 10 EICDRO CCOC(=O)CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001192316288 1051689906 /nfs/dbraw/zinc/68/99/06/1051689906.db2.gz YCQLUPDFJCVEBH-KRWDZBQOSA-N 1 0 341.451 4.299 20 10 EICDRO CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1O ZINC000775523204 1051692073 /nfs/dbraw/zinc/69/20/73/1051692073.db2.gz FCKXQNIDYHOQMB-ROUUACIJSA-N 1 0 330.859 4.273 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775524585 1051709106 /nfs/dbraw/zinc/70/91/06/1051709106.db2.gz RPLCLMPRUBQKPB-IXDGSTSKSA-N 1 0 333.859 4.078 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccccc1O ZINC000775527026 1051714725 /nfs/dbraw/zinc/71/47/25/1051714725.db2.gz VNWUKJWJRUTURC-NVXWUHKLSA-N 1 0 329.440 4.157 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccccc1O ZINC000775527025 1051715239 /nfs/dbraw/zinc/71/52/39/1051715239.db2.gz VNWUKJWJRUTURC-DOTOQJQBSA-N 1 0 329.440 4.157 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccccc1O ZINC000775526335 1051718347 /nfs/dbraw/zinc/71/83/47/1051718347.db2.gz QSBMUJODRTXUDX-WNYOCNMUSA-N 1 0 329.440 4.218 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000775527982 1051719699 /nfs/dbraw/zinc/71/96/99/1051719699.db2.gz WZAOVJXNEHWZPG-DJCROIMJSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(Cl)ccc1O ZINC000775532199 1051747290 /nfs/dbraw/zinc/74/72/90/1051747290.db2.gz SYUZQSXDDPKGND-XJKSGUPXSA-N 1 0 325.880 4.275 20 10 EICDRO COC1(C)CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000774640045 1051853460 /nfs/dbraw/zinc/85/34/60/1051853460.db2.gz OWKYTNUVBNLMQQ-UHFFFAOYSA-N 1 0 325.408 4.293 20 10 EICDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001176036456 1051881890 /nfs/dbraw/zinc/88/18/90/1051881890.db2.gz MPUDCRIJWJXYSS-AVRDEDQJSA-N 1 0 336.479 4.106 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001183787439 1051897743 /nfs/dbraw/zinc/89/77/43/1051897743.db2.gz AAVQFQMTBKFEMW-INIZCTEOSA-N 1 0 330.422 4.329 20 10 EICDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001183865181 1051917779 /nfs/dbraw/zinc/91/77/79/1051917779.db2.gz QBFUETWXQILOFC-CYBMUJFWSA-N 1 0 348.899 4.370 20 10 EICDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001183865182 1051918211 /nfs/dbraw/zinc/91/82/11/1051918211.db2.gz QBFUETWXQILOFC-ZDUSSCGKSA-N 1 0 348.899 4.370 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CC2CCC1CC2 ZINC001184217571 1051969267 /nfs/dbraw/zinc/96/92/67/1051969267.db2.gz GUUAVOJRUGTKKJ-PRWXPBECSA-N 1 0 343.559 4.160 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306893 1052125470 /nfs/dbraw/zinc/12/54/70/1052125470.db2.gz MXRLJKBIUUXHPJ-RTWAWAEBSA-N 1 0 328.500 4.129 20 10 EICDRO Nc1ccc(N(c2cnn(CC[NH+]3CCCC3)c2)c2ccccc2)cc1 ZINC001176560023 1052131180 /nfs/dbraw/zinc/13/11/80/1052131180.db2.gz BKYIJSLYOGLDHV-UHFFFAOYSA-N 1 0 347.466 4.031 20 10 EICDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001194335855 1052133726 /nfs/dbraw/zinc/13/37/26/1052133726.db2.gz GCVCENGEKLPKTB-ZWKOTPCHSA-N 1 0 330.516 4.312 20 10 EICDRO C[C@@H](CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000774821140 1052170561 /nfs/dbraw/zinc/17/05/61/1052170561.db2.gz NMXHSXJMNPQFPU-IBGZPJMESA-N 1 0 338.495 4.149 20 10 EICDRO CC(C)Oc1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001177127515 1052228000 /nfs/dbraw/zinc/22/80/00/1052228000.db2.gz FVDHFMOKLXSJPF-UHFFFAOYSA-N 1 0 325.452 4.131 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)ccc1O ZINC000184836089 1052246592 /nfs/dbraw/zinc/24/65/92/1052246592.db2.gz QGPIJMWJNWWJGA-BBRMVZONSA-N 1 0 334.460 4.081 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000184857077 1052265136 /nfs/dbraw/zinc/26/51/36/1052265136.db2.gz COAWETYSVYZKDC-SJLPKXTDSA-N 1 0 328.456 4.171 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000184857091 1052266221 /nfs/dbraw/zinc/26/62/21/1052266221.db2.gz COAWETYSVYZKDC-FUHWJXTLSA-N 1 0 328.456 4.171 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C)cc1O)O[C@@H](C)C2 ZINC000184898038 1052298373 /nfs/dbraw/zinc/29/83/73/1052298373.db2.gz PDGCPFQMVBZLJC-GJZGRUSLSA-N 1 0 341.451 4.274 20 10 EICDRO Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185053314 1052380163 /nfs/dbraw/zinc/38/01/63/1052380163.db2.gz WZALVANMABCBGX-INIZCTEOSA-N 1 0 342.458 4.155 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000185062452 1052388795 /nfs/dbraw/zinc/38/87/95/1052388795.db2.gz OFXBVOUIBXZBFW-MRXNPFEDSA-N 1 0 342.508 4.105 20 10 EICDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000185126817 1052447862 /nfs/dbraw/zinc/44/78/62/1052447862.db2.gz WRGIOLVRFOWEFO-MRXNPFEDSA-N 1 0 343.442 4.239 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000185311850 1052576581 /nfs/dbraw/zinc/57/65/81/1052576581.db2.gz VUXFJRBGTFMUMT-MRXNPFEDSA-N 1 0 340.467 4.029 20 10 EICDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185338160 1052581706 /nfs/dbraw/zinc/58/17/06/1052581706.db2.gz IRVKCBSENKMOEI-OAHLLOKOSA-N 1 0 348.446 4.397 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c1 ZINC000185447460 1052606668 /nfs/dbraw/zinc/60/66/68/1052606668.db2.gz GLUCMBUGCNUGJD-HOTGVXAUSA-N 1 0 342.483 4.181 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185695610 1052681632 /nfs/dbraw/zinc/68/16/32/1052681632.db2.gz BMZMJCPWWJTGSP-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000186034894 1052856557 /nfs/dbraw/zinc/85/65/57/1052856557.db2.gz AMLICBRBGIUYIO-MGPUTAFESA-N 1 0 325.452 4.309 20 10 EICDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3F)CCC1)CCC2 ZINC000764135687 1053032856 /nfs/dbraw/zinc/03/28/56/1053032856.db2.gz UAOAHMAZEFCRGI-UHFFFAOYSA-N 1 0 329.390 4.328 20 10 EICDRO COc1cc(C[NH2+]Cc2cccc(N(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850119417 1053075833 /nfs/dbraw/zinc/07/58/33/1053075833.db2.gz GRUDHSWGYBPLMJ-UHFFFAOYSA-N 1 0 342.483 4.054 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850177535 1053081805 /nfs/dbraw/zinc/08/18/05/1053081805.db2.gz XCXQPJPLBOYFBD-LBPRGKRZSA-N 1 0 334.485 4.314 20 10 EICDRO CCOc1ccc(CNc2cc(C[NH+](C)C)ccc2OC)c(C)c1 ZINC000850206618 1053086984 /nfs/dbraw/zinc/08/69/84/1053086984.db2.gz ONZSCPARFAUVHZ-UHFFFAOYSA-N 1 0 328.456 4.076 20 10 EICDRO COc1cc(C[NH2+][C@H]2COCc3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850327625 1053113193 /nfs/dbraw/zinc/11/31/93/1053113193.db2.gz KRWHPQLZDRUIQZ-IBGZPJMESA-N 1 0 341.451 4.059 20 10 EICDRO COc1cc(C[NH2+]CCCc2ncccc2C)c(O)c(C(C)(C)C)c1 ZINC000850316077 1053113358 /nfs/dbraw/zinc/11/33/58/1053113358.db2.gz ZHVFTJZIFBXKAI-UHFFFAOYSA-N 1 0 342.483 4.124 20 10 EICDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000850362895 1053137692 /nfs/dbraw/zinc/13/76/92/1053137692.db2.gz UGFFSGBEPXCHIZ-NRFANRHFSA-N 1 0 342.458 4.149 20 10 EICDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000864018722 1053150480 /nfs/dbraw/zinc/15/04/80/1053150480.db2.gz RRMSTDAOWGSPFQ-UHFFFAOYSA-N 1 0 329.875 4.012 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1O ZINC000850378213 1053154893 /nfs/dbraw/zinc/15/48/93/1053154893.db2.gz YHUROHYMSIPBDZ-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764528171 1053157277 /nfs/dbraw/zinc/15/72/77/1053157277.db2.gz OKXKBEVRMQMKAC-PMACEKPBSA-N 1 0 341.499 4.223 20 10 EICDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406804 1053172881 /nfs/dbraw/zinc/17/28/81/1053172881.db2.gz UOQZMWVKVLUVIK-PKOBYXMFSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000764568110 1053192892 /nfs/dbraw/zinc/19/28/92/1053192892.db2.gz AHNGQIOZXJIFHO-DLBZAZTESA-N 1 0 342.458 4.117 20 10 EICDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000794654901 1053249547 /nfs/dbraw/zinc/24/95/47/1053249547.db2.gz JMZSDWHOQPOQLM-FQEVSTJZSA-N 1 0 325.408 4.293 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000850482561 1053252486 /nfs/dbraw/zinc/25/24/86/1053252486.db2.gz KAVLKGXHAVLEHB-IAQYHMDHSA-N 1 0 326.371 4.053 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000850483509 1053255366 /nfs/dbraw/zinc/25/53/66/1053255366.db2.gz YNNHCXAGXFBXRY-NEPJUHHUSA-N 1 0 335.245 4.004 20 10 EICDRO C[C@H]([NH2+]CCc1noc2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000850483762 1053256430 /nfs/dbraw/zinc/25/64/30/1053256430.db2.gz UATWHTDYQIKHDJ-AWEZNQCLSA-N 1 0 336.435 4.306 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000850503203 1053262968 /nfs/dbraw/zinc/26/29/68/1053262968.db2.gz VCQFUBOYJRDWMZ-QFOUMGLESA-N 1 0 348.556 4.017 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000850502642 1053264859 /nfs/dbraw/zinc/26/48/59/1053264859.db2.gz YOLFEVGZOLKCGT-AWEZNQCLSA-N 1 0 345.874 4.200 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(N(C)C)cc1 ZINC000850505081 1053265648 /nfs/dbraw/zinc/26/56/48/1053265648.db2.gz MGDVZIGSLHTYDW-GOSISDBHSA-N 1 0 328.456 4.011 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000850523795 1053280349 /nfs/dbraw/zinc/28/03/49/1053280349.db2.gz PJOYSCUHAAPCFO-GXTWGEPZSA-N 1 0 329.362 4.163 20 10 EICDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742646 1053284472 /nfs/dbraw/zinc/28/44/72/1053284472.db2.gz AIVBUHYRRVVSPR-PGRDOPGGSA-N 1 0 337.511 4.240 20 10 EICDRO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc2ccccc2c1O ZINC000850532475 1053293809 /nfs/dbraw/zinc/29/38/09/1053293809.db2.gz MAOSWSVZWIGYIS-NJAPINKUSA-N 1 0 333.378 4.010 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764763044 1053300934 /nfs/dbraw/zinc/30/09/34/1053300934.db2.gz QOVHGKOVSNOQQQ-OALUTQOASA-N 1 0 331.529 4.158 20 10 EICDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850537652 1053300979 /nfs/dbraw/zinc/30/09/79/1053300979.db2.gz WQOOUUKHUIHEOY-NOZJJQNGSA-N 1 0 334.204 4.241 20 10 EICDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764774779 1053307973 /nfs/dbraw/zinc/30/79/73/1053307973.db2.gz RCQNHEASCVBRCR-HUUCEWRRSA-N 1 0 348.874 4.051 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000850565483 1053319028 /nfs/dbraw/zinc/31/90/28/1053319028.db2.gz FNMIOMOSHLIADR-SFHVURJKSA-N 1 0 338.495 4.115 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCCC34CCCC4)cc2)CC1 ZINC000850568473 1053323084 /nfs/dbraw/zinc/32/30/84/1053323084.db2.gz YGWKZTHVYRKDQT-OAQYLSRUSA-N 1 0 342.527 4.240 20 10 EICDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000775646256 1053324790 /nfs/dbraw/zinc/32/47/90/1053324790.db2.gz GEIFZLOGZPEVNP-IBGZPJMESA-N 1 0 327.424 4.137 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000775645359 1053329986 /nfs/dbraw/zinc/32/99/86/1053329986.db2.gz KBURBKLJTVJFQX-UHFFFAOYSA-N 1 0 343.854 4.449 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)c3ccccc3)CC2)cc1 ZINC000764874416 1053347873 /nfs/dbraw/zinc/34/78/73/1053347873.db2.gz FSNGAHFGJJZKHO-UHFFFAOYSA-N 1 0 338.495 4.231 20 10 EICDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000764878699 1053352777 /nfs/dbraw/zinc/35/27/77/1053352777.db2.gz DXOBDVLWSRPILR-INIZCTEOSA-N 1 0 329.513 4.335 20 10 EICDRO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC000764902599 1053365087 /nfs/dbraw/zinc/36/50/87/1053365087.db2.gz NZNGSIXNNVTAPS-IBGZPJMESA-N 1 0 326.871 4.197 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000775647637 1053368996 /nfs/dbraw/zinc/36/89/96/1053368996.db2.gz WJHXKQQCKMPXLM-UHFFFAOYSA-N 1 0 336.483 4.052 20 10 EICDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764923541 1053376483 /nfs/dbraw/zinc/37/64/83/1053376483.db2.gz DPNIWUSACGWSBS-CYBMUJFWSA-N 1 0 336.888 4.089 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C)cc1O ZINC000794802357 1053383229 /nfs/dbraw/zinc/38/32/29/1053383229.db2.gz NMONPMVQWFBBLM-GFCCVEGCSA-N 1 0 344.402 4.459 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1O ZINC000776499949 1053384118 /nfs/dbraw/zinc/38/41/18/1053384118.db2.gz ZHPDASAVOZQARA-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c(O)c1 ZINC000776499316 1053384671 /nfs/dbraw/zinc/38/46/71/1053384671.db2.gz ULUFHLUPKPGJAR-KRWDZBQOSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1O ZINC000794801653 1053384726 /nfs/dbraw/zinc/38/47/26/1053384726.db2.gz ARKMPTRRGNEVNM-INIZCTEOSA-N 1 0 332.831 4.033 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1O ZINC000794792901 1053387199 /nfs/dbraw/zinc/38/71/99/1053387199.db2.gz HIZDHKCVTXZYFI-ROUUACIJSA-N 1 0 328.456 4.171 20 10 EICDRO CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C)cc1O ZINC000794792028 1053387904 /nfs/dbraw/zinc/38/79/04/1053387904.db2.gz KWSCDCLPAKADGC-FQEVSTJZSA-N 1 0 335.451 4.170 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803718 1053395890 /nfs/dbraw/zinc/39/58/90/1053395890.db2.gz SMOPEPSUZBLEQG-BEFAXECRSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1O ZINC000794803659 1053399437 /nfs/dbraw/zinc/39/94/37/1053399437.db2.gz RFGIVNIRWWDCPX-TZIWHRDSSA-N 1 0 343.467 4.262 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2F)cc1 ZINC001195463973 1053408413 /nfs/dbraw/zinc/40/84/13/1053408413.db2.gz QKIUYTDRZSFAKI-NRFANRHFSA-N 1 0 326.459 4.489 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1O ZINC000794815366 1053421472 /nfs/dbraw/zinc/42/14/72/1053421472.db2.gz KEGXUAYTCQENQI-KXBFYZLASA-N 1 0 336.439 4.083 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794812416 1053427838 /nfs/dbraw/zinc/42/78/38/1053427838.db2.gz CNUZVZHSMLJPOJ-HKUYNNGSSA-N 1 0 333.859 4.302 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000794824632 1053430209 /nfs/dbraw/zinc/43/02/09/1053430209.db2.gz KTCNGOOSMJLYJW-IEBWSBKVSA-N 1 0 327.468 4.389 20 10 EICDRO Cc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O ZINC000775663296 1053432092 /nfs/dbraw/zinc/43/20/92/1053432092.db2.gz LPBJRJHXUNAONJ-VXGBXAGGSA-N 1 0 341.295 4.263 20 10 EICDRO Cc1cccc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000794827520 1053439977 /nfs/dbraw/zinc/43/99/77/1053439977.db2.gz JSNVTJZDCVYEMP-ZDUSSCGKSA-N 1 0 349.272 4.060 20 10 EICDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001195631205 1053441285 /nfs/dbraw/zinc/44/12/85/1053441285.db2.gz SDQKEEKGBNGEFP-UHFFFAOYSA-N 1 0 343.559 4.292 20 10 EICDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765147439 1053452002 /nfs/dbraw/zinc/45/20/02/1053452002.db2.gz PACAQCCKSDFAEM-UWJYYQICSA-N 1 0 329.532 4.058 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000775667582 1053460395 /nfs/dbraw/zinc/46/03/95/1053460395.db2.gz LPSKBRNIWYLYDA-INIZCTEOSA-N 1 0 326.440 4.022 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000765250421 1053476782 /nfs/dbraw/zinc/47/67/82/1053476782.db2.gz LZYUACAXCXZFHJ-VQIMIIECSA-N 1 0 328.504 4.105 20 10 EICDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765262550 1053480490 /nfs/dbraw/zinc/48/04/90/1053480490.db2.gz RBBIWSIGJCYBRA-GJZGRUSLSA-N 1 0 348.487 4.006 20 10 EICDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256873 1053483447 /nfs/dbraw/zinc/48/34/47/1053483447.db2.gz YUEMEFSVGBCCCA-KBPBESRZSA-N 1 0 345.512 4.008 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000765300553 1053497311 /nfs/dbraw/zinc/49/73/11/1053497311.db2.gz ODNSHELVGRPICI-CABCVRRESA-N 1 0 348.487 4.444 20 10 EICDRO CC[C@@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851841917 1053524406 /nfs/dbraw/zinc/52/44/06/1053524406.db2.gz ZUMARYQPOJIVDK-HOCLYGCPSA-N 1 0 327.415 4.055 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000765385388 1053531972 /nfs/dbraw/zinc/53/19/72/1053531972.db2.gz MYPGGJXGKONTHB-AWEZNQCLSA-N 1 0 345.874 4.085 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865603513 1053555228 /nfs/dbraw/zinc/55/52/28/1053555228.db2.gz IIGINZKENOYQSP-AWEZNQCLSA-N 1 0 333.426 4.114 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000765483082 1053568966 /nfs/dbraw/zinc/56/89/66/1053568966.db2.gz XZGGLZKFQWBLLE-NRFANRHFSA-N 1 0 337.511 4.376 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)c1OC ZINC000865759053 1053586425 /nfs/dbraw/zinc/58/64/25/1053586425.db2.gz SAIMKKLIXUDCFT-GOSISDBHSA-N 1 0 328.456 4.011 20 10 EICDRO Cn1cnc2cc(C[N@H+](Cc3ccccc3O)C3CCCC3)ccc21 ZINC000775692570 1053612521 /nfs/dbraw/zinc/61/25/21/1053612521.db2.gz YKPNITHSTGNDIR-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO CC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000853239703 1053654970 /nfs/dbraw/zinc/65/49/70/1053654970.db2.gz CCWJUNJIZSPQML-KRWDZBQOSA-N 1 0 337.389 4.407 20 10 EICDRO CC[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754943 1053668494 /nfs/dbraw/zinc/66/84/94/1053668494.db2.gz RKTKSALUYRBSST-TZIWHRDSSA-N 1 0 330.516 4.314 20 10 EICDRO COc1cc(C[NH+]2CCC(c3ccon3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853593658 1053688715 /nfs/dbraw/zinc/68/87/15/1053688715.db2.gz OZPNUYTWFCAWJF-UHFFFAOYSA-N 1 0 344.455 4.066 20 10 EICDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000775726095 1053696985 /nfs/dbraw/zinc/69/69/85/1053696985.db2.gz WHEIXEBFNJMTPM-GOSISDBHSA-N 1 0 343.467 4.171 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000866402650 1053714697 /nfs/dbraw/zinc/71/46/97/1053714697.db2.gz BEPYLCIQYWWMPU-LLSQANQASA-N 1 0 333.378 4.160 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000866402620 1053714767 /nfs/dbraw/zinc/71/47/67/1053714767.db2.gz ABYVSJCDIWORLY-LLSQANQASA-N 1 0 347.842 4.235 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000866407851 1053717028 /nfs/dbraw/zinc/71/70/28/1053717028.db2.gz YELRUZJLLDSKDS-LRDDRELGSA-N 1 0 339.357 4.104 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765577854 1053731548 /nfs/dbraw/zinc/73/15/48/1053731548.db2.gz VDYDLEVJBFGLSQ-JOCHJYFZSA-N 1 0 348.494 4.222 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)c1ccccc1O ZINC000866483014 1053746548 /nfs/dbraw/zinc/74/65/48/1053746548.db2.gz BGUAMKDBFHAZGF-AWEZNQCLSA-N 1 0 327.424 4.198 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000866485297 1053748686 /nfs/dbraw/zinc/74/86/86/1053748686.db2.gz OVKKXEKJGKJUMX-CXAGYDPISA-N 1 0 339.439 4.401 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000121085271 1053753856 /nfs/dbraw/zinc/75/38/56/1053753856.db2.gz PVHLWGMKTBSBDG-RDJZCZTQSA-N 1 0 339.357 4.185 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512354 1053762096 /nfs/dbraw/zinc/76/20/96/1053762096.db2.gz YLYMBRHQIMOPKB-RNCFNFMXSA-N 1 0 330.334 4.150 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1O ZINC000854226856 1053784013 /nfs/dbraw/zinc/78/40/13/1053784013.db2.gz ROJMRPVLXNTDSK-QLJPJBMISA-N 1 0 347.256 4.075 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612216 1053803808 /nfs/dbraw/zinc/80/38/08/1053803808.db2.gz FGRDPCZQPRWVHM-RNCFNFMXSA-N 1 0 330.334 4.150 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2noc3cc(F)ccc23)cc1 ZINC000866610412 1053804656 /nfs/dbraw/zinc/80/46/56/1053804656.db2.gz LPXDNQLJDAPIEE-ZDUSSCGKSA-N 1 0 327.403 4.274 20 10 EICDRO CC[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(C)cc1O ZINC000866619532 1053808942 /nfs/dbraw/zinc/80/89/42/1053808942.db2.gz DLRJENNJKSUSDZ-LLVKDONJSA-N 1 0 341.274 4.161 20 10 EICDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765645936 1053831208 /nfs/dbraw/zinc/83/12/08/1053831208.db2.gz XWLGFUWDZJBVBG-KDOFPFPSSA-N 1 0 338.442 4.425 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)cc1 ZINC000765667315 1053834101 /nfs/dbraw/zinc/83/41/01/1053834101.db2.gz XFJOOGMMTXBISX-MRXNPFEDSA-N 1 0 327.472 4.014 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000112541422 1053838893 /nfs/dbraw/zinc/83/88/93/1053838893.db2.gz IPLXEHFROJBQSH-SFHVURJKSA-N 1 0 338.495 4.275 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000776799963 1053892685 /nfs/dbraw/zinc/89/26/85/1053892685.db2.gz PBYYLFTUBJUBLN-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)C(C)C)c1O ZINC001197769471 1053992430 /nfs/dbraw/zinc/99/24/30/1053992430.db2.gz NDQVQTWFHJHIEY-LJQANCHMSA-N 1 0 329.415 4.091 20 10 EICDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000122916977 1054058570 /nfs/dbraw/zinc/05/85/70/1054058570.db2.gz VVOMIOIIHOCEHC-ZDUSSCGKSA-N 1 0 329.513 4.247 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000122928163 1054061549 /nfs/dbraw/zinc/06/15/49/1054061549.db2.gz VSHHZDHIINMJJQ-HNNXBMFYSA-N 1 0 339.439 4.136 20 10 EICDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000775837863 1054118939 /nfs/dbraw/zinc/11/89/39/1054118939.db2.gz UWIUTOYKMGYYHS-CQSZACIVSA-N 1 0 345.874 4.004 20 10 EICDRO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000765757142 1054136799 /nfs/dbraw/zinc/13/67/99/1054136799.db2.gz FJUZUVDNLDBYCF-GOSISDBHSA-N 1 0 348.494 4.484 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001198900698 1054292050 /nfs/dbraw/zinc/29/20/50/1054292050.db2.gz KFPZWPXOVOHIDU-UPWIVDSGSA-N 1 0 349.522 4.193 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC001198990347 1054323919 /nfs/dbraw/zinc/32/39/19/1054323919.db2.gz HCLPWVGUJNHITD-ARJAWSKDSA-N 1 0 332.394 4.157 20 10 EICDRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000872080907 1054381090 /nfs/dbraw/zinc/38/10/90/1054381090.db2.gz UJKGOQMZGHFGOB-CABCVRRESA-N 1 0 344.421 4.232 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(OC(F)F)c1 ZINC001199275501 1054386017 /nfs/dbraw/zinc/38/60/17/1054386017.db2.gz JRVDZELAVXTWNK-ZDUSSCGKSA-N 1 0 333.378 4.464 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OC(C)(C)C)c2)c1O ZINC000872114277 1054393377 /nfs/dbraw/zinc/39/33/77/1054393377.db2.gz XDXFLDDQODTRBZ-AWEZNQCLSA-N 1 0 329.440 4.429 20 10 EICDRO C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129852 1054403983 /nfs/dbraw/zinc/40/39/83/1054403983.db2.gz ZVHGIKICQNWDRJ-WDMOLILDSA-N 1 0 330.359 4.339 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2OCC(F)F)cc1 ZINC001199403636 1054406135 /nfs/dbraw/zinc/40/61/35/1054406135.db2.gz XSTLPHAVIHCCQK-UHFFFAOYSA-N 1 0 348.437 4.467 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000872133118 1054408445 /nfs/dbraw/zinc/40/84/45/1054408445.db2.gz KKJYXALEDUQURA-RISCZKNCSA-N 1 0 339.361 4.311 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000872131573 1054408488 /nfs/dbraw/zinc/40/84/88/1054408488.db2.gz XINWHILDBLPXIT-UWVGGRQHSA-N 1 0 328.309 4.357 20 10 EICDRO c1ccc(CCOCCCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199413448 1054408704 /nfs/dbraw/zinc/40/87/04/1054408704.db2.gz OMAPCUMCPCXMER-UHFFFAOYSA-N 1 0 339.479 4.141 20 10 EICDRO CN(c1ccc(C[NH2+]Cc2ccnc(F)c2)cc1)C1CCCCC1 ZINC000858115278 1054418936 /nfs/dbraw/zinc/41/89/36/1054418936.db2.gz CDVZTTCEMCCCGT-UHFFFAOYSA-N 1 0 327.447 4.279 20 10 EICDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006427 1054427205 /nfs/dbraw/zinc/42/72/05/1054427205.db2.gz JHXUIFZRYVEBBA-PBHICJAKSA-N 1 0 344.421 4.295 20 10 EICDRO Cc1cccc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992864 1054433987 /nfs/dbraw/zinc/43/39/87/1054433987.db2.gz ZJOFKPRSBJIGEA-KRWDZBQOSA-N 1 0 335.806 4.067 20 10 EICDRO Cc1cccc(OCC[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000105154290 1054435202 /nfs/dbraw/zinc/43/52/02/1054435202.db2.gz HFUXSQCGGVDVFK-UHFFFAOYSA-N 1 0 343.467 4.215 20 10 EICDRO COC(=O)/C(C)=C/C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012068 1054445245 /nfs/dbraw/zinc/44/52/45/1054445245.db2.gz XUPRCAOSUFBHGT-HJUDDPQBSA-N 1 0 339.435 4.075 20 10 EICDRO CCOc1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1O ZINC000858341259 1054466648 /nfs/dbraw/zinc/46/66/48/1054466648.db2.gz AQDPPBAPSWULHC-UHFFFAOYSA-N 1 0 333.378 4.238 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cc1Cn1cccn1 ZINC000873016123 1054479152 /nfs/dbraw/zinc/47/91/52/1054479152.db2.gz GHDZCVMLHYBMAL-QGZVFWFLSA-N 1 0 335.451 4.099 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC000873029829 1054479319 /nfs/dbraw/zinc/47/93/19/1054479319.db2.gz SITNUEWTRTUBTA-HXUWFJFHSA-N 1 0 335.451 4.181 20 10 EICDRO COc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1Cn1cccn1 ZINC000873053548 1054482594 /nfs/dbraw/zinc/48/25/94/1054482594.db2.gz KYOKAQOSVFOQHZ-UHFFFAOYSA-N 1 0 341.480 4.026 20 10 EICDRO COc1cc(C[NH2+]CCCOC2CCCC2)c(O)c(C(C)(C)C)c1 ZINC001199882805 1054490863 /nfs/dbraw/zinc/49/08/63/1054490863.db2.gz AVWXCUYGZHIVME-UHFFFAOYSA-N 1 0 335.488 4.137 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)cc1C ZINC000873144085 1054493285 /nfs/dbraw/zinc/49/32/85/1054493285.db2.gz SHLOYIYLUAHHQP-UHFFFAOYSA-N 1 0 340.467 4.056 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c(O)c1 ZINC000873155665 1054495032 /nfs/dbraw/zinc/49/50/32/1054495032.db2.gz ONFVNYPEEQXRHD-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1C ZINC000873169491 1054497850 /nfs/dbraw/zinc/49/78/50/1054497850.db2.gz KPLBJXULBNOGPU-UHFFFAOYSA-N 1 0 344.764 4.366 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3CCC4(CCC4)CC3)CC2)cc1 ZINC001199971668 1054506190 /nfs/dbraw/zinc/50/61/90/1054506190.db2.gz DACPDRBCAKGJRH-UHFFFAOYSA-N 1 0 328.500 4.367 20 10 EICDRO Cc1cc([C@H](C)NCc2cc(C)n(-c3cccc(C)c3)c2C)nn1C ZINC000858543995 1054512274 /nfs/dbraw/zinc/51/22/74/1054512274.db2.gz XKCHUCWBULSDQF-KRWDZBQOSA-N 1 0 336.483 4.295 20 10 EICDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858545629 1054512661 /nfs/dbraw/zinc/51/26/61/1054512661.db2.gz HHHRMARJURGFCL-GZRFBZBPSA-N 1 0 332.463 4.034 20 10 EICDRO Cc1cc([C@@H](C)NCc2cc(C)n(-c3cccc(C)c3)c2C)nn1C ZINC000858543997 1054512726 /nfs/dbraw/zinc/51/27/26/1054512726.db2.gz XKCHUCWBULSDQF-QGZVFWFLSA-N 1 0 336.483 4.295 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1csc(C(C)C)n1 ZINC001199989181 1054514027 /nfs/dbraw/zinc/51/40/27/1054514027.db2.gz BETLPLLGSFJKFU-UHFFFAOYSA-N 1 0 327.497 4.399 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccns1 ZINC000858575998 1054522674 /nfs/dbraw/zinc/52/26/74/1054522674.db2.gz HCLNXQLJOUZRCG-DTWKUNHWSA-N 1 0 327.247 4.023 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C(F)(F)F)cc1O ZINC000873290194 1054525895 /nfs/dbraw/zinc/52/58/95/1054525895.db2.gz OTRPHBQKDAXGGT-OAHLLOKOSA-N 1 0 342.336 4.373 20 10 EICDRO COc1cc(O)c(C[NH2+]Cc2cccc(Cl)c2Cl)cc1OC ZINC000776116049 1054552942 /nfs/dbraw/zinc/55/29/42/1054552942.db2.gz GTYHILWUTZUIFF-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO CCCOc1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1C ZINC001200923917 1054577258 /nfs/dbraw/zinc/57/72/58/1054577258.db2.gz VVUSQIQPBYTMGO-UHFFFAOYSA-N 1 0 330.516 4.280 20 10 EICDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000776166733 1054794376 /nfs/dbraw/zinc/79/43/76/1054794376.db2.gz DNEKPPAJZXDJAT-YLJYHZDGSA-N 1 0 330.516 4.125 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]Cc2coc3ccccc23)c1O ZINC000776174894 1054801637 /nfs/dbraw/zinc/80/16/37/1054801637.db2.gz JIGINFLOFVYFOA-UHFFFAOYSA-N 1 0 346.224 4.499 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(Cl)cc(C)c3O)c2c1 ZINC000776175150 1054804410 /nfs/dbraw/zinc/80/44/10/1054804410.db2.gz ILLRIYRLAQVCRF-UHFFFAOYSA-N 1 0 344.842 4.176 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)cc1 ZINC001201761236 1054899375 /nfs/dbraw/zinc/89/93/75/1054899375.db2.gz OPHVFOQVBIGPFN-PWIZWCRZSA-N 1 0 332.532 4.462 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001201735942 1054906885 /nfs/dbraw/zinc/90/68/85/1054906885.db2.gz ZBOQMLQRQIOUOY-CYBMUJFWSA-N 1 0 346.268 4.049 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1O ZINC000776218856 1054926359 /nfs/dbraw/zinc/92/63/59/1054926359.db2.gz CSSATXLTDBAKQH-APPDUMDISA-N 1 0 340.250 4.219 20 10 EICDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000876579807 1054933349 /nfs/dbraw/zinc/93/33/49/1054933349.db2.gz LZTJPKKGTMWIDO-FQEVSTJZSA-N 1 0 342.508 4.046 20 10 EICDRO Cc1cccc(F)c1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776220419 1054936312 /nfs/dbraw/zinc/93/63/12/1054936312.db2.gz NDQCAVCFLRQPAT-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)cc1F ZINC001201871881 1054941131 /nfs/dbraw/zinc/94/11/31/1054941131.db2.gz BVTKXXZVSFHUBS-HRAATJIYSA-N 1 0 344.474 4.274 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(C(F)(F)F)c1 ZINC000877037640 1055005303 /nfs/dbraw/zinc/00/53/03/1055005303.db2.gz UEIDPKKOFOKVPH-INIZCTEOSA-N 1 0 339.357 4.197 20 10 EICDRO COc1cc(C[N@H+](Cc2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000825934064 1055019076 /nfs/dbraw/zinc/01/90/76/1055019076.db2.gz GAKHHOLQXKBHLG-UHFFFAOYSA-N 1 0 340.467 4.258 20 10 EICDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326515 1055050160 /nfs/dbraw/zinc/05/01/60/1055050160.db2.gz PHNJHGWHDYWCGU-WBMJQRKESA-N 1 0 347.256 4.133 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000777257621 1055055922 /nfs/dbraw/zinc/05/59/22/1055055922.db2.gz BOBPSVSRUSSABS-KCUHQSDYSA-N 1 0 328.500 4.141 20 10 EICDRO CCc1nc2cc(C[NH2+]Cc3c(C)cccc3O)ccc2n1C1CC1 ZINC000877504401 1055068355 /nfs/dbraw/zinc/06/83/55/1055068355.db2.gz FEIIVDYWGPXDMW-UHFFFAOYSA-N 1 0 335.451 4.237 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2N)c1 ZINC000877532737 1055072999 /nfs/dbraw/zinc/07/29/99/1055072999.db2.gz GWCZOWHXYLWJDJ-VIFPVBQESA-N 1 0 341.238 4.141 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]C3CCC(=C4CCC4)CC3)cc2)CC1 ZINC000877636698 1055096424 /nfs/dbraw/zinc/09/64/24/1055096424.db2.gz GHJGEPAVWJFHGN-UHFFFAOYSA-N 1 0 340.511 4.160 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1O ZINC000877756597 1055115004 /nfs/dbraw/zinc/11/50/04/1055115004.db2.gz WUTVCBMJDWKCRL-SNVBAGLBSA-N 1 0 327.758 4.498 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c(O)c1 ZINC000877808158 1055124679 /nfs/dbraw/zinc/12/46/79/1055124679.db2.gz WSGWRYIJAIGACH-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000126737741 1055130172 /nfs/dbraw/zinc/13/01/72/1055130172.db2.gz UJDUHNSRDIGHOE-UHFFFAOYSA-N 1 0 344.524 4.172 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000119318181 1055155099 /nfs/dbraw/zinc/15/50/99/1055155099.db2.gz BLPTUUZTTWIROY-WBVHZDCISA-N 1 0 334.479 4.424 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119345271 1055163739 /nfs/dbraw/zinc/16/37/39/1055163739.db2.gz JMKYFCWATUGWEK-OAQYLSRUSA-N 1 0 340.515 4.430 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(Cl)nc2)c(O)c(C(C)(C)C)c1 ZINC000850036868 1055328364 /nfs/dbraw/zinc/32/83/64/1055328364.db2.gz SUJJOWQSUHBGFK-UHFFFAOYSA-N 1 0 334.847 4.037 20 10 EICDRO COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3c(C)cc(C)cc3O)CCO2)cc1 ZINC001168615905 1055450610 /nfs/dbraw/zinc/45/06/10/1055450610.db2.gz PSNOUIILMZWUGP-UWJYYQICSA-N 1 0 341.451 4.028 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000785445565 1055609736 /nfs/dbraw/zinc/60/97/36/1055609736.db2.gz KHBYUSMCZUTSJH-UHFFFAOYSA-N 1 0 347.340 4.091 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(-n2cccn2)cc1 ZINC000921807865 1056614714 /nfs/dbraw/zinc/61/47/14/1056614714.db2.gz UWMXVJWJMFMDGK-MRXNPFEDSA-N 1 0 333.435 4.048 20 10 EICDRO CCOCc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)ccc1OC ZINC000172674058 1056629127 /nfs/dbraw/zinc/62/91/27/1056629127.db2.gz JAFWOWZCBPFLKY-UHFFFAOYSA-N 1 0 329.415 4.150 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000742164139 1058525579 /nfs/dbraw/zinc/52/55/79/1058525579.db2.gz CTWFQSRYUHGKSH-GOSISDBHSA-N 1 0 347.499 4.319 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc(Cl)c1F ZINC000742388547 1058588228 /nfs/dbraw/zinc/58/82/28/1058588228.db2.gz WQWCWNUTJBOAEA-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C)[C@@H]1CCOC1 ZINC000742379923 1058605360 /nfs/dbraw/zinc/60/53/60/1058605360.db2.gz GEZKXSCLDGNFFQ-NQIIRXRSSA-N 1 0 326.484 4.307 20 10 EICDRO CC(C)C[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000744448570 1059522769 /nfs/dbraw/zinc/52/27/69/1059522769.db2.gz UTAFXWFRYNISBN-KRWDZBQOSA-N 1 0 327.468 4.194 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c(O)c1 ZINC000766457329 1060362983 /nfs/dbraw/zinc/36/29/83/1060362983.db2.gz JIIOEDFCSXJMIW-UHFFFAOYSA-N 1 0 334.419 4.143 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000766489838 1060379486 /nfs/dbraw/zinc/37/94/86/1060379486.db2.gz UJKBBDYAMOEARD-YWZLYKJASA-N 1 0 326.509 4.434 20 10 EICDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766487034 1060392050 /nfs/dbraw/zinc/39/20/50/1060392050.db2.gz BRDBAROIBSLUJF-SJORKVTESA-N 1 0 341.474 4.493 20 10 EICDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766580373 1060623161 /nfs/dbraw/zinc/62/31/61/1060623161.db2.gz DZAXVHZHSJVTRZ-IXDOHACOSA-N 1 0 334.479 4.282 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000121351824 1060846019 /nfs/dbraw/zinc/84/60/19/1060846019.db2.gz HKBSQHCEJYOLJN-NUJGCVRESA-N 1 0 334.479 4.018 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(c3ccccc3OC)C2)c1 ZINC000359957828 201119619 /nfs/dbraw/zinc/11/96/19/201119619.db2.gz PQRUFCBPVGVUCP-NFOMZHRRSA-N 1 0 327.424 4.006 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c(O)c1C ZINC000359974879 201120967 /nfs/dbraw/zinc/12/09/67/201120967.db2.gz PTRIFBYOACQRNS-INIZCTEOSA-N 1 0 335.451 4.260 20 10 EICDRO CC[C@H]([NH2+]CCCOC(C)C)c1cc(Br)ccc1O ZINC000020198121 212111080 /nfs/dbraw/zinc/11/10/80/212111080.db2.gz TYYGAJKAXRYKLW-AWEZNQCLSA-N 1 0 330.266 4.011 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490463 522756017 /nfs/dbraw/zinc/75/60/17/522756017.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 1 0 343.298 4.367 20 10 EICDRO CC(C)(C)c1cc(C[NH+]2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000759752031 1032081755 /nfs/dbraw/zinc/08/17/55/1032081755.db2.gz PEVBCUVHQPFMCH-UHFFFAOYSA-N 1 0 333.516 4.334 20 10 EICDRO Cc1cc(C[NH2+]Cc2cnc(C)s2)c(C)n1-c1cccc(C)c1 ZINC000729682516 1032130463 /nfs/dbraw/zinc/13/04/63/1032130463.db2.gz YRTWCZJQNRWIBP-UHFFFAOYSA-N 1 0 325.481 4.457 20 10 EICDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179917107 1032576770 /nfs/dbraw/zinc/57/67/70/1032576770.db2.gz HSTLIODMDSEFLR-CYBMUJFWSA-N 1 0 326.371 4.052 20 10 EICDRO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(Br)cc1O ZINC000841762554 1032643779 /nfs/dbraw/zinc/64/37/79/1032643779.db2.gz XONNAOIOJHDCCI-BZNIZROVSA-N 1 0 348.240 4.077 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000274725267 1019057884 /nfs/dbraw/zinc/05/78/84/1019057884.db2.gz ANKXWTFMMXSHPU-QRFRQXIXSA-N 1 0 329.415 4.492 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000274725263 1019058426 /nfs/dbraw/zinc/05/84/26/1019058426.db2.gz ANKXWTFMMXSHPU-KPFFTGBYSA-N 1 0 329.415 4.492 20 10 EICDRO Cc1cc(F)ccc1[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001167108824 1020186458 /nfs/dbraw/zinc/18/64/58/1020186458.db2.gz UUWYIISIPBSHJV-OAQYLSRUSA-N 1 0 344.474 4.144 20 10 EICDRO CN(C)c1ccc(C[N@H+](CCCc2cccc(F)c2)C2CC2)cc1 ZINC001167108922 1020187592 /nfs/dbraw/zinc/18/75/92/1020187592.db2.gz WAEMHLDTCBXAHA-UHFFFAOYSA-N 1 0 326.459 4.489 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000155335972 1020498567 /nfs/dbraw/zinc/49/85/67/1020498567.db2.gz CNIGKCPZUYYSRA-RDTXWAMCSA-N 1 0 340.423 4.151 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000275392769 1020613484 /nfs/dbraw/zinc/61/34/84/1020613484.db2.gz YTYZYPVFDXVWIM-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001167906595 1032984184 /nfs/dbraw/zinc/98/41/84/1032984184.db2.gz YBYBOPWBUVILKV-FQEVSTJZSA-N 1 0 330.516 4.314 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1O ZINC000376162759 1021635757 /nfs/dbraw/zinc/63/57/57/1021635757.db2.gz OGPNCBJFQFAXIM-LJQANCHMSA-N 1 0 342.414 4.150 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000398045534 1022044204 /nfs/dbraw/zinc/04/42/04/1022044204.db2.gz VMJJDFCJCRLBAU-KNQAVFIVSA-N 1 0 349.522 4.039 20 10 EICDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588383340 1022269506 /nfs/dbraw/zinc/26/95/06/1022269506.db2.gz GKBKKXJVFJKWJC-UHFFFAOYSA-N 1 0 337.427 4.271 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617780 1022521580 /nfs/dbraw/zinc/52/15/80/1022521580.db2.gz PXORQHGAPIDWID-ZDUSSCGKSA-N 1 0 334.485 4.482 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000378397916 1022800676 /nfs/dbraw/zinc/80/06/76/1022800676.db2.gz DVNSHNRTFSZSEK-QFIPXVFZSA-N 1 0 348.494 4.394 20 10 EICDRO COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000363845163 1022845707 /nfs/dbraw/zinc/84/57/07/1022845707.db2.gz ALQOMXCFFXIRAW-RHSMWYFYSA-N 1 0 327.424 4.192 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208055 1023002341 /nfs/dbraw/zinc/00/23/41/1023002341.db2.gz NSJWNWNQGQRNPL-AEFFLSMTSA-N 1 0 342.458 4.094 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)cn21 ZINC000185412598 1023042264 /nfs/dbraw/zinc/04/22/64/1023042264.db2.gz YVMIMVCHNCJLHP-HNNXBMFYSA-N 1 0 335.451 4.078 20 10 EICDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000185999008 1023089585 /nfs/dbraw/zinc/08/95/85/1023089585.db2.gz FHNYJIWIGVHDLK-CRAIPNDOSA-N 1 0 327.424 4.046 20 10 EICDRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186361382 1023121704 /nfs/dbraw/zinc/12/17/04/1023121704.db2.gz BVYHJZGSWFGETN-KRWDZBQOSA-N 1 0 339.483 4.016 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H](C)Cc3cccs3)CC2)cc1 ZINC000167486013 1023167713 /nfs/dbraw/zinc/16/77/13/1023167713.db2.gz OOTQRBPTKZJVTE-MRXNPFEDSA-N 1 0 344.524 4.194 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c(O)c1 ZINC000376891524 1023330030 /nfs/dbraw/zinc/33/00/30/1023330030.db2.gz BVGHHFFEPJPVGT-GJZGRUSLSA-N 1 0 337.423 4.032 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C)cc1O ZINC000377092085 1023370861 /nfs/dbraw/zinc/37/08/61/1023370861.db2.gz GGLNVWJVXSBEKJ-LJQANCHMSA-N 1 0 335.451 4.342 20 10 EICDRO COc1cccc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)c1O ZINC000191782222 1023575479 /nfs/dbraw/zinc/57/54/79/1023575479.db2.gz UIDFXQUMCQFCSS-UHFFFAOYSA-N 1 0 339.357 4.355 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000020123482 1023731562 /nfs/dbraw/zinc/73/15/62/1023731562.db2.gz WZWRBYDJOLONAP-SMDDNHRTSA-N 1 0 335.245 4.352 20 10 EICDRO COc1ccc(C[NH2+]CCc2ccc(Br)cc2)cc1C ZINC000312739277 1023739981 /nfs/dbraw/zinc/73/99/81/1023739981.db2.gz KXDRNXRFDJIBRC-UHFFFAOYSA-N 1 0 334.257 4.098 20 10 EICDRO COc1ccc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)c(O)c1OC ZINC000891591793 1023804287 /nfs/dbraw/zinc/80/42/87/1023804287.db2.gz FTRQWGNWKBKGIS-AWEZNQCLSA-N 1 0 327.424 4.135 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756736694 1024256279 /nfs/dbraw/zinc/25/62/79/1024256279.db2.gz CKHGKVIHYZCVOE-BZNIZROVSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(Cl)ccc1O ZINC000756779662 1024673412 /nfs/dbraw/zinc/67/34/12/1024673412.db2.gz UPMVVBJFCCOPPY-ZEQHWRKHSA-N 1 0 329.918 4.076 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1O ZINC000093667854 1024714677 /nfs/dbraw/zinc/71/46/77/1024714677.db2.gz RYTKNVUWRYUGDH-GOSISDBHSA-N 1 0 339.435 4.028 20 10 EICDRO CC(C)CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000796703022 1024865726 /nfs/dbraw/zinc/86/57/26/1024865726.db2.gz PFOZTAPWTJSSFL-NRFANRHFSA-N 1 0 342.483 4.383 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000236778995 1025009166 /nfs/dbraw/zinc/00/91/66/1025009166.db2.gz MTMRYDIHOONYKC-QGZVFWFLSA-N 1 0 345.483 4.403 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1O ZINC000277197669 1025323078 /nfs/dbraw/zinc/32/30/78/1025323078.db2.gz VKFRMXJPGCWTOP-ROUUACIJSA-N 1 0 337.423 4.108 20 10 EICDRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1O ZINC000091974461 1025544944 /nfs/dbraw/zinc/54/49/44/1025544944.db2.gz LJCIOSDDWPXVKW-UHFFFAOYSA-N 1 0 327.815 4.068 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000157045254 1025788108 /nfs/dbraw/zinc/78/81/08/1025788108.db2.gz QEVFMYKJUMGJJV-ZHALLVOQSA-N 1 0 333.378 4.241 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1O ZINC000375657186 1025867796 /nfs/dbraw/zinc/86/77/96/1025867796.db2.gz LEJQAHXXRCQHBG-OALUTQOASA-N 1 0 338.451 4.239 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663498 1026001557 /nfs/dbraw/zinc/00/15/57/1026001557.db2.gz JTGXJUNPYAHHRT-PZJWPPBQSA-N 1 0 335.451 4.264 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663496 1026003064 /nfs/dbraw/zinc/00/30/64/1026003064.db2.gz JTGXJUNPYAHHRT-CTNGQTDRSA-N 1 0 335.451 4.264 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)ccc2ccncc21 ZINC000728897713 1026198928 /nfs/dbraw/zinc/19/89/28/1026198928.db2.gz AOIZZBNLWYKUJA-UHFFFAOYSA-N 1 0 349.478 4.417 20 10 EICDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])CC1CC[NH+](C)CC1 ZINC000728906961 1026611010 /nfs/dbraw/zinc/61/10/10/1026611010.db2.gz OIMBRDQITVLTHA-UHFFFAOYSA-N 1 0 338.451 4.065 20 10 EICDRO C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(N(C)C)cc1 ZINC000147918637 1027447505 /nfs/dbraw/zinc/44/75/05/1027447505.db2.gz UHHQRAZHMWSAEC-LLVKDONJSA-N 1 0 339.302 4.427 20 10 EICDRO Cc1cc(OC(F)(F)F)ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625420 1027467771 /nfs/dbraw/zinc/46/77/71/1027467771.db2.gz SGQGGDNRINPORH-UHFFFAOYSA-N 1 0 330.394 4.378 20 10 EICDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000161804104 1027707741 /nfs/dbraw/zinc/70/77/41/1027707741.db2.gz XGMCCZVGJQZRDV-QGZVFWFLSA-N 1 0 344.499 4.013 20 10 EICDRO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(N(C)C)cc1 ZINC000147918419 1028734116 /nfs/dbraw/zinc/73/41/16/1028734116.db2.gz UHHQRAZHMWSAEC-NSHDSACASA-N 1 0 339.302 4.427 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)ccc2O)C2CCC2)cc1 ZINC000897079935 1029353399 /nfs/dbraw/zinc/35/33/99/1029353399.db2.gz LYYQUIUEFCGZJN-HXUWFJFHSA-N 1 0 327.424 4.040 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000192737752 1029383957 /nfs/dbraw/zinc/38/39/57/1029383957.db2.gz YRHQMIDFOKQNHK-MEDUHNTESA-N 1 0 333.428 4.428 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475200112 1029431949 /nfs/dbraw/zinc/43/19/49/1029431949.db2.gz YQRPJSUYWIRGQD-UHFFFAOYSA-N 1 0 344.462 4.271 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N(C)C)cc1 ZINC000168420434 1029610404 /nfs/dbraw/zinc/61/04/04/1029610404.db2.gz CYAZYDSJQIQDQE-OAHLLOKOSA-N 1 0 329.513 4.134 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000170686200 1029866075 /nfs/dbraw/zinc/86/60/75/1029866075.db2.gz FYTUCXFAHZJMDH-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183529990 1030011780 /nfs/dbraw/zinc/01/17/80/1030011780.db2.gz IGKXQFPAQINUBS-DOXZYTNZSA-N 1 0 330.497 4.187 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c(O)c1 ZINC000186105395 1030247661 /nfs/dbraw/zinc/24/76/61/1030247661.db2.gz PAZSDZBIXFKRIC-CYBMUJFWSA-N 1 0 325.437 4.070 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1C ZINC000897417384 1030584750 /nfs/dbraw/zinc/58/47/50/1030584750.db2.gz MYLZMUPJQMTEJQ-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000527614275 1030778937 /nfs/dbraw/zinc/77/89/37/1030778937.db2.gz WSLJFLJAGHOKKM-UHFFFAOYSA-N 1 0 333.435 4.017 20 10 EICDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000179754865 1031283290 /nfs/dbraw/zinc/28/32/90/1031283290.db2.gz OUTIOKGSESWNTH-GOSISDBHSA-N 1 0 345.414 4.374 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1 ZINC000112541448 1031347547 /nfs/dbraw/zinc/34/75/47/1031347547.db2.gz VZDUARQLLIVBCA-CQSZACIVSA-N 1 0 347.409 4.003 20 10 EICDRO CCOc1cccc(C[NH2+]CCc2c[nH]c3c2cccc3CC)c1O ZINC000236897705 1033330323 /nfs/dbraw/zinc/33/03/23/1033330323.db2.gz OHRGQTHXDGROJW-UHFFFAOYSA-N 1 0 338.451 4.167 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000236961532 1033714089 /nfs/dbraw/zinc/71/40/89/1033714089.db2.gz OTQQGDTWMRLHBO-RBUKOAKNSA-N 1 0 340.511 4.210 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1O ZINC000280058472 1035138639 /nfs/dbraw/zinc/13/86/39/1035138639.db2.gz KEQXWWSWLCJCJJ-ZPBXOSQXSA-N 1 0 331.481 4.240 20 10 EICDRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2O)ccc1OC ZINC000280132221 1035174033 /nfs/dbraw/zinc/17/40/33/1035174033.db2.gz PBTMZJOUHRMJNR-QGZVFWFLSA-N 1 0 329.440 4.349 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1O ZINC000280227343 1035207016 /nfs/dbraw/zinc/20/70/16/1035207016.db2.gz VEDMQYQBKOFDCC-KDOFPFPSSA-N 1 0 338.451 4.021 20 10 EICDRO CCc1ccc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000227437582 1035798812 /nfs/dbraw/zinc/79/88/12/1035798812.db2.gz IWJDSLSLUWAPEW-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO COc1ccc(C[N@H+](Cc2cc(Cl)cc(OC)c2O)C2CC2)cc1 ZINC000761184107 1035901814 /nfs/dbraw/zinc/90/18/14/1035901814.db2.gz QAXVGVZGQHTHQW-UHFFFAOYSA-N 1 0 347.842 4.227 20 10 EICDRO CC[C@H]([NH2+]CC1(SC)CCC1)c1cc(Br)ccc1O ZINC000228016135 1036036509 /nfs/dbraw/zinc/03/65/09/1036036509.db2.gz RRVWDGSPDRUCDR-ZDUSSCGKSA-N 1 0 344.318 4.481 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1O ZINC000761208324 1036056578 /nfs/dbraw/zinc/05/65/78/1036056578.db2.gz YUCGLBSTLJGGSA-UHFFFAOYSA-N 1 0 344.842 4.176 20 10 EICDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c1O ZINC000761215748 1036152742 /nfs/dbraw/zinc/15/27/42/1036152742.db2.gz LUMIDIRBTYXWNQ-UHFFFAOYSA-N 1 0 346.858 4.137 20 10 EICDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000761216172 1036155490 /nfs/dbraw/zinc/15/54/90/1036155490.db2.gz MQZCHLFUSAREHF-DYZYQPBXSA-N 1 0 341.785 4.190 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1O ZINC000157015271 1036780351 /nfs/dbraw/zinc/78/03/51/1036780351.db2.gz VSFAJLJQYTWZGN-SFHVURJKSA-N 1 0 326.440 4.303 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000163575763 1036947276 /nfs/dbraw/zinc/94/72/76/1036947276.db2.gz ILWPXDJGRJAZQD-HNNXBMFYSA-N 1 0 332.538 4.461 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349415 1037429291 /nfs/dbraw/zinc/42/92/91/1037429291.db2.gz BIHZLTULDDPPIW-FZKQIMNGSA-N 1 0 335.394 4.326 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273382151 1037447113 /nfs/dbraw/zinc/44/71/13/1037447113.db2.gz IMVLLRNWCZVJDB-CABCVRRESA-N 1 0 329.440 4.438 20 10 EICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163600228 1037454176 /nfs/dbraw/zinc/45/41/76/1037454176.db2.gz XDPAHBJCEJFMPF-MRXNPFEDSA-N 1 0 342.508 4.099 20 10 EICDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc(OC)c1OC ZINC000273437491 1037462776 /nfs/dbraw/zinc/46/27/76/1037462776.db2.gz XKXVQBMBHRHOJR-UONOGXRCSA-N 1 0 345.439 4.138 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000273507250 1037487910 /nfs/dbraw/zinc/48/79/10/1037487910.db2.gz RFPKOHYDGKOVJS-AWEZNQCLSA-N 1 0 339.464 4.112 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Br)ccc1O ZINC000273608676 1037524642 /nfs/dbraw/zinc/52/46/42/1037524642.db2.gz VBLZKOYUCVFWRB-MEBBXXQBSA-N 1 0 348.240 4.198 20 10 EICDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163604070 1037738876 /nfs/dbraw/zinc/73/88/76/1037738876.db2.gz WAUGRSXZIWHBLT-OAHLLOKOSA-N 1 0 332.538 4.461 20 10 EICDRO COc1cccc(C2([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000150894920 1038210771 /nfs/dbraw/zinc/21/07/71/1038210771.db2.gz KNDFBDXYACYBOT-UHFFFAOYSA-N 1 0 336.479 4.464 20 10 EICDRO CC(C)([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1 ZINC000226584730 1038276658 /nfs/dbraw/zinc/27/66/58/1038276658.db2.gz XKIFWGISXXWCMB-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094744 1038667242 /nfs/dbraw/zinc/66/72/42/1038667242.db2.gz MVVNZLXQXFFABM-RBUKOAKNSA-N 1 0 329.532 4.059 20 10 EICDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237490296 1038892757 /nfs/dbraw/zinc/89/27/57/1038892757.db2.gz HYLLLVQSCVXCMT-GOSISDBHSA-N 1 0 338.495 4.493 20 10 EICDRO CCOc1ccc(N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC001168331746 1039000584 /nfs/dbraw/zinc/00/05/84/1039000584.db2.gz PYWMHIDTFUWZAP-LJQANCHMSA-N 1 0 338.495 4.229 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ccc(NC(N)=O)cc1 ZINC000192849929 1039375169 /nfs/dbraw/zinc/37/51/69/1039375169.db2.gz LILJWYRGJMYIIV-KGLIPLIRSA-N 1 0 349.434 4.448 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(Br)cc1O ZINC000757659605 1039978825 /nfs/dbraw/zinc/97/88/25/1039978825.db2.gz XRMCQYIFDQETGI-ZYHUDNBSSA-N 1 0 330.291 4.091 20 10 EICDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237516536 1040431793 /nfs/dbraw/zinc/43/17/93/1040431793.db2.gz UKMAFCCZDIENAH-MOPGFXCFSA-N 1 0 338.495 4.195 20 10 EICDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001167961121 1041465554 /nfs/dbraw/zinc/46/55/54/1041465554.db2.gz ZMJYJVZRHQFQJZ-GOSISDBHSA-N 1 0 330.516 4.314 20 10 EICDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cc1 ZINC000904621439 1041545616 /nfs/dbraw/zinc/54/56/16/1041545616.db2.gz WROZSAQJISLENN-UHFFFAOYSA-N 1 0 344.418 4.256 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000108409827 1041732617 /nfs/dbraw/zinc/73/26/17/1041732617.db2.gz PHYIWGQFLJHUFQ-OAHLLOKOSA-N 1 0 346.421 4.247 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c(O)c1C ZINC000366684853 1042047234 /nfs/dbraw/zinc/04/72/34/1042047234.db2.gz XEQFRUSPUMBANH-MRXNPFEDSA-N 1 0 344.524 4.386 20 10 EICDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000294523481 1042376284 /nfs/dbraw/zinc/37/62/84/1042376284.db2.gz ZIPNSWNNPDPGQM-KRWDZBQOSA-N 1 0 343.467 4.023 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1O ZINC000761498761 1042871246 /nfs/dbraw/zinc/87/12/46/1042871246.db2.gz HACMTTIIGVUIJX-LIRRHRJNSA-N 1 0 346.421 4.238 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000237228562 1043041831 /nfs/dbraw/zinc/04/18/31/1043041831.db2.gz BMPGUIWARAZZOJ-LBPRGKRZSA-N 1 0 339.357 4.140 20 10 EICDRO COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)c1O ZINC000895131256 1043130094 /nfs/dbraw/zinc/13/00/94/1043130094.db2.gz QAMWJOPANUDAKC-UHFFFAOYSA-N 1 0 336.435 4.041 20 10 EICDRO COc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1C ZINC000727837919 1043310895 /nfs/dbraw/zinc/31/08/95/1043310895.db2.gz YLMIBQBMCWCZPT-OAQYLSRUSA-N 1 0 338.495 4.320 20 10 EICDRO CCC[N@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccccc1O ZINC000727830845 1043311380 /nfs/dbraw/zinc/31/13/80/1043311380.db2.gz QQUKWBMROAOOPQ-UHFFFAOYSA-N 1 0 343.858 4.345 20 10 EICDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Br)ccc1O ZINC001168465062 1043393870 /nfs/dbraw/zinc/39/38/70/1043393870.db2.gz NVUXPBALGLSGMW-NSHDSACASA-N 1 0 338.220 4.015 20 10 EICDRO COc1cc(C[NH2+]Cc2cnc(Cl)s2)c(O)c(C(C)(C)C)c1 ZINC000895151177 1043480241 /nfs/dbraw/zinc/48/02/41/1043480241.db2.gz JHYSJXQQTIYRCI-UHFFFAOYSA-N 1 0 340.876 4.098 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC000731845585 1043834269 /nfs/dbraw/zinc/83/42/69/1043834269.db2.gz FARHMRVTEUUXKM-UHFFFAOYSA-N 1 0 339.435 4.108 20 10 EICDRO COc1c(C)cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1C ZINC000731889351 1043838553 /nfs/dbraw/zinc/83/85/53/1043838553.db2.gz GMWUFWGKRCZKBR-UHFFFAOYSA-N 1 0 340.467 4.357 20 10 EICDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871366 1043842626 /nfs/dbraw/zinc/84/26/26/1043842626.db2.gz DIWYYHVSHPWYSL-ZDUSSCGKSA-N 1 0 330.453 4.080 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442858712 1043877634 /nfs/dbraw/zinc/87/76/34/1043877634.db2.gz SSICCLJIGPCPGK-OAHLLOKOSA-N 1 0 329.447 4.225 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1cnn(-c2ccccc2)c1 ZINC000766073609 1043880546 /nfs/dbraw/zinc/88/05/46/1043880546.db2.gz QYMKVRSNNMDTDD-AWEZNQCLSA-N 1 0 344.509 4.162 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204757 1043887042 /nfs/dbraw/zinc/88/70/42/1043887042.db2.gz CLWNUWJXYCPQQD-FQEVSTJZSA-N 1 0 347.405 4.149 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000732205025 1043887510 /nfs/dbraw/zinc/88/75/10/1043887510.db2.gz XJZOVMBDKJQNBY-UHFFFAOYSA-N 1 0 349.434 4.387 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000732204745 1043887896 /nfs/dbraw/zinc/88/78/96/1043887896.db2.gz RCNFZXQZNPWNQS-HXUWFJFHSA-N 1 0 329.415 4.010 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Br)cc1F ZINC000732231270 1043890514 /nfs/dbraw/zinc/89/05/14/1043890514.db2.gz QRYVOFBJEYWKDL-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000766095114 1044063610 /nfs/dbraw/zinc/06/36/10/1044063610.db2.gz PTBFJDYUEPJHGV-GOSISDBHSA-N 1 0 338.495 4.366 20 10 EICDRO COC[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000733183800 1044127141 /nfs/dbraw/zinc/12/71/41/1044127141.db2.gz MHWFVBRUESMSOF-AWEZNQCLSA-N 1 0 325.408 4.150 20 10 EICDRO CC(C)Oc1ccc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733324186 1044191031 /nfs/dbraw/zinc/19/10/31/1044191031.db2.gz MCJGFBVDBJLDSA-UHFFFAOYSA-N 1 0 330.447 4.011 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000733324528 1044191589 /nfs/dbraw/zinc/19/15/89/1044191589.db2.gz IHHKUSKNYZBNNO-IBGZPJMESA-N 1 0 349.519 4.126 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)cc1F ZINC000733327726 1044192458 /nfs/dbraw/zinc/19/24/58/1044192458.db2.gz FJXBJWHGBHQLFY-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000733328241 1044192923 /nfs/dbraw/zinc/19/29/23/1044192923.db2.gz SEMQOSNXINJJCA-QHCPKHFHSA-N 1 0 345.442 4.463 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)cc1F ZINC000733327836 1044194752 /nfs/dbraw/zinc/19/47/52/1044194752.db2.gz XTZKOJJKJHXIEQ-UHFFFAOYSA-N 1 0 344.474 4.497 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000922217283 1044237694 /nfs/dbraw/zinc/23/76/94/1044237694.db2.gz OOYIPBAAQZKVCC-USXIJHARSA-N 1 0 333.472 4.037 20 10 EICDRO CCCCC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613469 1044268104 /nfs/dbraw/zinc/26/81/04/1044268104.db2.gz XPIPFJADLKIJEJ-QGZVFWFLSA-N 1 0 346.515 4.222 20 10 EICDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000766128908 1044288573 /nfs/dbraw/zinc/28/85/73/1044288573.db2.gz MHWVSHJAOFHWNP-IBGZPJMESA-N 1 0 338.495 4.033 20 10 EICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000227434719 1044431891 /nfs/dbraw/zinc/43/18/91/1044431891.db2.gz QJTYZYOXVSYDGW-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000734003713 1044454407 /nfs/dbraw/zinc/45/44/07/1044454407.db2.gz XQIGNYMRSCMXQZ-UHFFFAOYSA-N 1 0 335.403 4.063 20 10 EICDRO Oc1ccc2ccncc2c1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000735074103 1044738660 /nfs/dbraw/zinc/73/86/60/1044738660.db2.gz XCOYNOIRWPQVEL-UHFFFAOYSA-N 1 0 336.410 4.287 20 10 EICDRO CC1(C)C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCCO1 ZINC000735298079 1044786645 /nfs/dbraw/zinc/78/66/45/1044786645.db2.gz OVVYPVXGJLOONN-UHFFFAOYSA-N 1 0 325.408 4.293 20 10 EICDRO CC1(C)C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCCO1 ZINC000735297995 1044786840 /nfs/dbraw/zinc/78/68/40/1044786840.db2.gz KZRJWFJOYBCWKW-UHFFFAOYSA-N 1 0 329.440 4.018 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2c(O)cccc2Br)s1 ZINC000706843440 1044789903 /nfs/dbraw/zinc/78/99/03/1044789903.db2.gz UJNHJZSWQPFYJZ-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO CCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000735309221 1044797914 /nfs/dbraw/zinc/79/79/14/1044797914.db2.gz JLPHZQZOWHLAOQ-HXUWFJFHSA-N 1 0 325.452 4.136 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1O ZINC001168031170 1044812678 /nfs/dbraw/zinc/81/26/78/1044812678.db2.gz YAWIAGUTFPNEBL-RMFSNUHRSA-N 1 0 338.495 4.232 20 10 EICDRO COc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922582134 1044826075 /nfs/dbraw/zinc/82/60/75/1044826075.db2.gz LVIPQXGIAPCWKL-LJQANCHMSA-N 1 0 340.467 4.334 20 10 EICDRO CC(C)(C)OC(=O)Nc1ccsc1CN1Cc2cccc(O)c2C1 ZINC000895784711 1044891590 /nfs/dbraw/zinc/89/15/90/1044891590.db2.gz MBWASEQXPWTXEH-UHFFFAOYSA-N 1 0 346.452 4.317 20 10 EICDRO CCOCc1cc(C[NH2+]CCc2ccc(CC)cc2)ccc1OC ZINC000736357285 1044931173 /nfs/dbraw/zinc/93/11/73/1044931173.db2.gz HMZUYAJOZHRPET-UHFFFAOYSA-N 1 0 327.468 4.126 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)s2)c(O)c1OC ZINC000895930151 1044994380 /nfs/dbraw/zinc/99/43/80/1044994380.db2.gz FKTUINSOZSJSNP-UHFFFAOYSA-N 1 0 335.469 4.058 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165091 1045003537 /nfs/dbraw/zinc/00/35/37/1045003537.db2.gz CKWQLXHBBDBKEW-WSTZPKSXSA-N 1 0 329.532 4.200 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCSC[C@H]1c1ccccc1)CCC2 ZINC000738070325 1045033594 /nfs/dbraw/zinc/03/35/94/1045033594.db2.gz PLCCCYLANNORDO-IBGZPJMESA-N 1 0 325.477 4.171 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc2c(cc1O)CCCC2 ZINC000186610266 1045038789 /nfs/dbraw/zinc/03/87/89/1045038789.db2.gz BJQAMDHYVIPCFP-OAHLLOKOSA-N 1 0 339.479 4.349 20 10 EICDRO COc1ccc2ccc(O)c(C[NH+]3CCc4ccccc4CC3)c2c1 ZINC000738227528 1045043134 /nfs/dbraw/zinc/04/31/34/1045043134.db2.gz WSKIFMHDZNXLNA-UHFFFAOYSA-N 1 0 333.431 4.155 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412594 1045090137 /nfs/dbraw/zinc/09/01/37/1045090137.db2.gz LFEQJKYGJSHJSM-OXQOHEQNSA-N 1 0 338.499 4.139 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CCO2 ZINC000186692458 1045132878 /nfs/dbraw/zinc/13/28/78/1045132878.db2.gz FVSFVCBOSTVZSV-KBXCAEBGSA-N 1 0 327.424 4.274 20 10 EICDRO CC(C)OCCC[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000740856400 1045229233 /nfs/dbraw/zinc/22/92/33/1045229233.db2.gz FFQMJOKVCSZONC-UHFFFAOYSA-N 1 0 331.456 4.264 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000740899558 1045240889 /nfs/dbraw/zinc/24/08/89/1045240889.db2.gz HDHHVQHCZRJGSN-FQEVSTJZSA-N 1 0 346.540 4.372 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000236962607 1045371802 /nfs/dbraw/zinc/37/18/02/1045371802.db2.gz XVXQMEOQUYJOSO-GFCCVEGCSA-N 1 0 337.366 4.243 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccc(N(C)C)cc1 ZINC000790696328 1045560256 /nfs/dbraw/zinc/56/02/56/1045560256.db2.gz GUAQQDCFODDMFY-ICSRJNTNSA-N 1 0 340.515 4.128 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1O ZINC000790694978 1045561039 /nfs/dbraw/zinc/56/10/39/1045561039.db2.gz CIHQSUYZQJITDI-DOTOQJQBSA-N 1 0 347.890 4.421 20 10 EICDRO c1csc(SCCC[NH2+]Cc2ccc(OCC3CC3)cc2)n1 ZINC000790968106 1045640771 /nfs/dbraw/zinc/64/07/71/1045640771.db2.gz MTZIJEKAZNYXOF-UHFFFAOYSA-N 1 0 334.510 4.204 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1F ZINC000768138865 1045726773 /nfs/dbraw/zinc/72/67/73/1045726773.db2.gz VODYXNQBLCLLCC-IBGZPJMESA-N 1 0 327.447 4.404 20 10 EICDRO Oc1ccccc1C[N@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163419 1045729543 /nfs/dbraw/zinc/72/95/43/1045729543.db2.gz YVCCUROCCAYJEO-MNKBLEIRSA-N 1 0 341.426 4.226 20 10 EICDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000768162094 1045730372 /nfs/dbraw/zinc/73/03/72/1045730372.db2.gz LCBKYZXKGCIOJV-SFHVURJKSA-N 1 0 329.415 4.021 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000768161606 1045730963 /nfs/dbraw/zinc/73/09/63/1045730963.db2.gz IBFRECQBVDDPAF-GOSISDBHSA-N 1 0 329.415 4.021 20 10 EICDRO CC[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000768208597 1045744064 /nfs/dbraw/zinc/74/40/64/1045744064.db2.gz VBWYBOWHDUBIOM-HXUWFJFHSA-N 1 0 338.495 4.149 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000791494521 1045751491 /nfs/dbraw/zinc/75/14/91/1045751491.db2.gz TYGHXULHTRJNKE-GAJHUEQPSA-N 1 0 348.490 4.160 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000768258127 1045767461 /nfs/dbraw/zinc/76/74/61/1045767461.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 1 0 346.478 4.307 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258144 1045768234 /nfs/dbraw/zinc/76/82/34/1045768234.db2.gz QQPLYMUIUSWUSV-MLGOLLRUSA-N 1 0 341.407 4.002 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cc(Br)ccc1O ZINC000768272502 1045775882 /nfs/dbraw/zinc/77/58/82/1045775882.db2.gz SHLXHYDXEWDVPP-JGVFFNPUSA-N 1 0 326.156 4.146 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000768287595 1045779206 /nfs/dbraw/zinc/77/92/06/1045779206.db2.gz SOEOHXBTHYOHOJ-QRWLVFNGSA-N 1 0 340.467 4.326 20 10 EICDRO CCc1nn(C)c(CC)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768358672 1045797833 /nfs/dbraw/zinc/79/78/33/1045797833.db2.gz YHCFDAKCLNSJSY-UHFFFAOYSA-N 1 0 342.531 4.022 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000768441373 1045807360 /nfs/dbraw/zinc/80/73/60/1045807360.db2.gz KHDIYPGDTIQKPB-KRWDZBQOSA-N 1 0 327.424 4.055 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463732 1045811182 /nfs/dbraw/zinc/81/11/82/1045811182.db2.gz WAZMELVIQHVVOK-YLJYHZDGSA-N 1 0 345.483 4.143 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1OC ZINC000768464953 1045811380 /nfs/dbraw/zinc/81/13/80/1045811380.db2.gz CXQKZMFBWCWAPX-RBZFPXEDSA-N 1 0 345.414 4.132 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c(O)cc1C ZINC000768464793 1045811458 /nfs/dbraw/zinc/81/14/58/1045811458.db2.gz AFPGSCWDABKHSH-MRXNPFEDSA-N 1 0 343.492 4.323 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000768526104 1045815491 /nfs/dbraw/zinc/81/54/91/1045815491.db2.gz KHEMEJKOXWKKRF-CYBMUJFWSA-N 1 0 339.357 4.402 20 10 EICDRO COc1cccc(C[N@@H+](Cc2cccc(OC)c2O)CC(C)C)c1 ZINC000768650045 1045828399 /nfs/dbraw/zinc/82/83/99/1045828399.db2.gz CEXBBZKKDLXVFA-UHFFFAOYSA-N 1 0 329.440 4.068 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)c(O)c1 ZINC000768937840 1045862757 /nfs/dbraw/zinc/86/27/57/1045862757.db2.gz CQNPJSRMWUYIOM-UHFFFAOYSA-N 1 0 341.451 4.082 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1F ZINC000769059794 1045879004 /nfs/dbraw/zinc/87/90/04/1045879004.db2.gz KQCDAWXOINZNIY-UHFFFAOYSA-N 1 0 336.495 4.451 20 10 EICDRO CCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccc1O ZINC000769201515 1045894234 /nfs/dbraw/zinc/89/42/34/1045894234.db2.gz VWWKROKUWJHLFO-UHFFFAOYSA-N 1 0 349.858 4.475 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307305 1045914544 /nfs/dbraw/zinc/91/45/44/1045914544.db2.gz GRRMPFCUMFSACT-GOSISDBHSA-N 1 0 349.434 4.478 20 10 EICDRO COc1cccc(O)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384051 1045941800 /nfs/dbraw/zinc/94/18/00/1045941800.db2.gz KQPXMNGJLSMGPD-UHFFFAOYSA-N 1 0 327.424 4.051 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(O)c1 ZINC000769383343 1045942562 /nfs/dbraw/zinc/94/25/62/1045942562.db2.gz ICFSIBCXVSBKSG-UHFFFAOYSA-N 1 0 347.499 4.351 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769398920 1045948893 /nfs/dbraw/zinc/94/88/93/1045948893.db2.gz NPSUDNWASYFXAS-UHFFFAOYSA-N 1 0 345.870 4.474 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1 ZINC000769403673 1045952175 /nfs/dbraw/zinc/95/21/75/1045952175.db2.gz UQGKUJZPJHKRAG-NRFANRHFSA-N 1 0 338.495 4.181 20 10 EICDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769419000 1045956029 /nfs/dbraw/zinc/95/60/29/1045956029.db2.gz XOLLHKKZWXOASO-GJZGRUSLSA-N 1 0 336.907 4.406 20 10 EICDRO COc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1C ZINC000237395258 1045956451 /nfs/dbraw/zinc/95/64/51/1045956451.db2.gz SCISPZHXFQRZQT-UHFFFAOYSA-N 1 0 340.398 4.130 20 10 EICDRO C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966255 /nfs/dbraw/zinc/96/62/55/1045966255.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 1 0 331.287 4.005 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000769446716 1045974199 /nfs/dbraw/zinc/97/41/99/1045974199.db2.gz SECMTPFINDIOSE-UHFFFAOYSA-N 1 0 337.463 4.452 20 10 EICDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769534887 1046010675 /nfs/dbraw/zinc/01/06/75/1046010675.db2.gz ZYKOWSHUFXSQBD-HXUWFJFHSA-N 1 0 348.494 4.075 20 10 EICDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532013 1046010810 /nfs/dbraw/zinc/01/08/10/1046010810.db2.gz GVLDRURVULNLMI-INIZCTEOSA-N 1 0 347.842 4.098 20 10 EICDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc2ccccc2cc1O ZINC001170420413 1046069559 /nfs/dbraw/zinc/06/95/59/1046069559.db2.gz KHKSQIVVYNYDKT-LJQANCHMSA-N 1 0 349.430 4.385 20 10 EICDRO c1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc2c1OCC2 ZINC000769869012 1046081147 /nfs/dbraw/zinc/08/11/47/1046081147.db2.gz BRLOZHCOYNRSCI-FQEVSTJZSA-N 1 0 335.447 4.114 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769985049 1046121619 /nfs/dbraw/zinc/12/16/19/1046121619.db2.gz GDQVIIRFAATOPR-RDTXWAMCSA-N 1 0 348.487 4.262 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N2CCCCC2)cc1 ZINC000769990589 1046123377 /nfs/dbraw/zinc/12/33/77/1046123377.db2.gz UWFYTCNTNYNZTB-DNVCBOLYSA-N 1 0 330.497 4.123 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000793009422 1046123973 /nfs/dbraw/zinc/12/39/73/1046123973.db2.gz IAZAZOHCVHZRRT-KRWDZBQOSA-N 1 0 344.421 4.066 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000769989435 1046123933 /nfs/dbraw/zinc/12/39/33/1046123933.db2.gz NAIVJRVPSCGYJV-CSODHUTKSA-N 1 0 325.500 4.095 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000793012260 1046126266 /nfs/dbraw/zinc/12/62/66/1046126266.db2.gz ZBJJWINSNSSOBJ-LBPRGKRZSA-N 1 0 336.348 4.439 20 10 EICDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000747100957 1046146102 /nfs/dbraw/zinc/14/61/02/1046146102.db2.gz ZERRVIPCADKBDN-OAQYLSRUSA-N 1 0 338.495 4.024 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000763416691 1046149919 /nfs/dbraw/zinc/14/99/19/1046149919.db2.gz YBQIEZWUAGZISL-ONGXBYRLSA-N 1 0 344.474 4.445 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000793233085 1046179095 /nfs/dbraw/zinc/17/90/95/1046179095.db2.gz PVYCQGWGCDLVOF-HXUWFJFHSA-N 1 0 327.468 4.137 20 10 EICDRO CCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](O)c1ccccc1 ZINC000793236113 1046181363 /nfs/dbraw/zinc/18/13/63/1046181363.db2.gz BPYZYLALKKCMNI-WMZOPIPTSA-N 1 0 349.858 4.046 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1C ZINC000770326718 1046181612 /nfs/dbraw/zinc/18/16/12/1046181612.db2.gz QVNPADLIXGJWKC-ICSRJNTNSA-N 1 0 343.467 4.470 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770372677 1046186322 /nfs/dbraw/zinc/18/63/22/1046186322.db2.gz FCANCUDTVJDELP-WOJBJXKFSA-N 1 0 337.463 4.308 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000770741646 1046267440 /nfs/dbraw/zinc/26/74/40/1046267440.db2.gz NSCXCOZKEQMMRQ-UHFFFAOYSA-N 1 0 329.415 4.043 20 10 EICDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000916836434 1046377838 /nfs/dbraw/zinc/37/78/38/1046377838.db2.gz GIDIIDNESJSPCF-IPMKNSEASA-N 1 0 346.490 4.111 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)cc2Cl)cc1 ZINC000916837861 1046379026 /nfs/dbraw/zinc/37/90/26/1046379026.db2.gz XGNAAEKXBZMFHK-UHFFFAOYSA-N 1 0 332.875 4.485 20 10 EICDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)C[C@@H](C)O1 ZINC000916837218 1046379401 /nfs/dbraw/zinc/37/94/01/1046379401.db2.gz RZYPMXUOJMRDEQ-HZPDHXFCSA-N 1 0 334.479 4.252 20 10 EICDRO CCC1(O)CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000771875176 1046509513 /nfs/dbraw/zinc/50/95/13/1046509513.db2.gz POCHSXGZQFPDFW-UHFFFAOYSA-N 1 0 325.452 4.233 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3cccnc3)c2)cc1 ZINC000771933096 1046526387 /nfs/dbraw/zinc/52/63/87/1046526387.db2.gz DANCPPWPULBNKG-UHFFFAOYSA-N 1 0 331.463 4.447 20 10 EICDRO CCc1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000771935568 1046528921 /nfs/dbraw/zinc/52/89/21/1046528921.db2.gz XOKOTBXRKULQSS-UHFFFAOYSA-N 1 0 329.513 4.328 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCc2ccc(OC)cc2)cc1 ZINC000772477031 1046647967 /nfs/dbraw/zinc/64/79/67/1046647967.db2.gz QSPOFEMLZKBVMX-QGZVFWFLSA-N 1 0 342.483 4.019 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c(O)c1 ZINC000785578964 1046724027 /nfs/dbraw/zinc/72/40/27/1046724027.db2.gz CTGMGJQOJQCKJK-XGHQBKJUSA-N 1 0 326.484 4.351 20 10 EICDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000786164062 1046814397 /nfs/dbraw/zinc/81/43/97/1046814397.db2.gz RTKYKTZFEQQBFT-QFIPXVFZSA-N 1 0 347.458 4.061 20 10 EICDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000786581422 1046850520 /nfs/dbraw/zinc/85/05/20/1046850520.db2.gz IVBMCOCPHILBIT-QFBILLFUSA-N 1 0 335.447 4.108 20 10 EICDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)C(F)(F)F ZINC000786953869 1046883929 /nfs/dbraw/zinc/88/39/29/1046883929.db2.gz NRXFXMZRPOBEDP-NHYWBVRUSA-N 1 0 327.346 4.163 20 10 EICDRO C[N@H+](Cc1ccc(Br)c(Cl)c1)Cc1ccccc1O ZINC000787264587 1046975979 /nfs/dbraw/zinc/97/59/79/1046975979.db2.gz MRXIFGGZLMZUFQ-UHFFFAOYSA-N 1 0 340.648 4.440 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132754 1047125805 /nfs/dbraw/zinc/12/58/05/1047125805.db2.gz ZXBABCOVZKLNQH-MEDUHNTESA-N 1 0 343.298 4.224 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000788257592 1047144304 /nfs/dbraw/zinc/14/43/04/1047144304.db2.gz AZLFIHRFYWHYEA-CQSZACIVSA-N 1 0 334.410 4.247 20 10 EICDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000788259208 1047145996 /nfs/dbraw/zinc/14/59/96/1047145996.db2.gz LNUXNYGYHZWCFV-BEFAXECRSA-N 1 0 341.499 4.095 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCSC(C)C)c1O ZINC000806168184 1047154597 /nfs/dbraw/zinc/15/45/97/1047154597.db2.gz WSHOXDUABGLGJP-NSHDSACASA-N 1 0 332.307 4.255 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172539 1047157536 /nfs/dbraw/zinc/15/75/36/1047157536.db2.gz NYKKYFQSNUEGFR-RTWAWAEBSA-N 1 0 343.490 4.235 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000806172212 1047159339 /nfs/dbraw/zinc/15/93/39/1047159339.db2.gz HYBBWNYSGQAUCV-OAUYIBNBSA-N 1 0 346.421 4.111 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1C ZINC000806178861 1047200461 /nfs/dbraw/zinc/20/04/61/1047200461.db2.gz JXXMKOPPBWQMTL-GOEBONIOSA-N 1 0 333.859 4.089 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000788557870 1047223212 /nfs/dbraw/zinc/22/32/12/1047223212.db2.gz QVVGWUUGWBFILS-QAPCUYQASA-N 1 0 330.447 4.102 20 10 EICDRO COc1ccc(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000788563011 1047224312 /nfs/dbraw/zinc/22/43/12/1047224312.db2.gz IYAKESRTFHEOFF-INIZCTEOSA-N 1 0 343.467 4.310 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(O)c1 ZINC000788566178 1047234416 /nfs/dbraw/zinc/23/44/16/1047234416.db2.gz YUYADZLINMCABC-CYBMUJFWSA-N 1 0 347.842 4.284 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)c(O)c1 ZINC000788575440 1047235211 /nfs/dbraw/zinc/23/52/11/1047235211.db2.gz WPMMDGUVTLYYTF-HZPDHXFCSA-N 1 0 344.524 4.168 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1 ZINC000788589680 1047238170 /nfs/dbraw/zinc/23/81/70/1047238170.db2.gz VCXXVHWNIGOKJT-LEWSCRJBSA-N 1 0 337.872 4.398 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c(O)c1C ZINC000788619014 1047250633 /nfs/dbraw/zinc/25/06/33/1047250633.db2.gz CGSYZNKPEGGTPI-NBHGPNQESA-N 1 0 327.468 4.418 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000788684339 1047259956 /nfs/dbraw/zinc/25/99/56/1047259956.db2.gz CAZGNJKLFAEDHR-SJCJKPOMSA-N 1 0 337.822 4.186 20 10 EICDRO CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1O ZINC000788840547 1047321909 /nfs/dbraw/zinc/32/19/09/1047321909.db2.gz NLXLZNOCDLVQRD-UHFFFAOYSA-N 1 0 348.874 4.142 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000788977997 1047348579 /nfs/dbraw/zinc/34/85/79/1047348579.db2.gz KETZZOQKHHAGEN-CEWLAPEOSA-N 1 0 330.516 4.218 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000918203517 1047378706 /nfs/dbraw/zinc/37/87/06/1047378706.db2.gz OXQFZVOLVWTBHU-NRFANRHFSA-N 1 0 344.474 4.275 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)OCc2ccccc2)c1 ZINC000789361261 1047409783 /nfs/dbraw/zinc/40/97/83/1047409783.db2.gz GETIIZZWFUBHDT-JKSUJKDBSA-N 1 0 329.440 4.047 20 10 EICDRO CCC[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000897926433 1047510743 /nfs/dbraw/zinc/51/07/43/1047510743.db2.gz XOFQTVHEEOYKJB-FQEVSTJZSA-N 1 0 329.440 4.215 20 10 EICDRO COc1cc(CNCc2nc(C(C)(C)C)co2)c(O)c(C(C)(C)C)c1 ZINC000897942638 1047513657 /nfs/dbraw/zinc/51/36/57/1047513657.db2.gz PUAYOPGMVXKYKE-UHFFFAOYSA-N 1 0 346.471 4.274 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897993845 1047522385 /nfs/dbraw/zinc/52/23/85/1047522385.db2.gz KOPGZJUQHZGVDM-IBGZPJMESA-N 1 0 328.456 4.290 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(O)cc1C ZINC000790462695 1047588708 /nfs/dbraw/zinc/58/87/08/1047588708.db2.gz YMEHANZBNHNQHN-HNNXBMFYSA-N 1 0 331.378 4.120 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1O ZINC000790485052 1047596260 /nfs/dbraw/zinc/59/62/60/1047596260.db2.gz YFRGFCQTUSGEBX-UHFFFAOYSA-N 1 0 327.355 4.090 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000154827584 1047668690 /nfs/dbraw/zinc/66/86/90/1047668690.db2.gz PLHAUOIAHIIIDW-IRXDYDNUSA-N 1 0 330.497 4.332 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477076 1047872808 /nfs/dbraw/zinc/87/28/08/1047872808.db2.gz BGEJANBEZFBWOA-UHFFFAOYSA-N 1 0 325.452 4.356 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468024 1047877480 /nfs/dbraw/zinc/87/74/80/1047877480.db2.gz AMJHANWSLOQPKQ-GOSISDBHSA-N 1 0 333.378 4.236 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)n1 ZINC000824820018 1047963576 /nfs/dbraw/zinc/96/35/76/1047963576.db2.gz XKNQKKNAIKBWHY-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926827 1047999006 /nfs/dbraw/zinc/99/90/06/1047999006.db2.gz HXENCMZUIBHOPM-RHSMWYFYSA-N 1 0 335.831 4.035 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(C(F)(F)F)cc1O ZINC000825004948 1048008474 /nfs/dbraw/zinc/00/84/74/1048008474.db2.gz AKMRDNPNUSELJK-FZMZJTMJSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1ccc(C[NH+](C)C)cc1NCc1ccc(Br)cc1O ZINC000825033451 1048021611 /nfs/dbraw/zinc/02/16/11/1048021611.db2.gz NWAICOLPTLTYRO-UHFFFAOYSA-N 1 0 349.272 4.137 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045652 1048024529 /nfs/dbraw/zinc/02/45/29/1048024529.db2.gz IOYVKWZFQAIHTQ-LBPRGKRZSA-N 1 0 327.733 4.240 20 10 EICDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000808681078 1048035199 /nfs/dbraw/zinc/03/51/99/1048035199.db2.gz WDJREYVMYGTDQO-CVEARBPZSA-N 1 0 336.495 4.091 20 10 EICDRO COc1cccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c1O ZINC000825124775 1048039112 /nfs/dbraw/zinc/03/91/12/1048039112.db2.gz XVQGZUSSTJYNHT-UHFFFAOYSA-N 1 0 337.341 4.019 20 10 EICDRO COc1ccc(O)c(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000825124162 1048041163 /nfs/dbraw/zinc/04/11/63/1048041163.db2.gz JHBVCURGVRGOPU-UHFFFAOYSA-N 1 0 337.341 4.019 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000808674977 1048044865 /nfs/dbraw/zinc/04/48/65/1048044865.db2.gz SMTYXOLYOKVEAM-CQSZACIVSA-N 1 0 345.874 4.200 20 10 EICDRO COCCOc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808678378 1048048801 /nfs/dbraw/zinc/04/88/01/1048048801.db2.gz OXBZJYLEGHCBMA-AWEZNQCLSA-N 1 0 349.858 4.230 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000808678756 1048049060 /nfs/dbraw/zinc/04/90/60/1048049060.db2.gz XFAOGIFZHKAXDW-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000808703358 1048051223 /nfs/dbraw/zinc/05/12/23/1048051223.db2.gz XEGYADQFOCIULD-LLVKDONJSA-N 1 0 325.239 4.296 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000808707066 1048052937 /nfs/dbraw/zinc/05/29/37/1048052937.db2.gz ZPNCDGZDHBMUJR-IUUKEHGRSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1O ZINC000808710688 1048057093 /nfs/dbraw/zinc/05/70/93/1048057093.db2.gz VKFMCLXBAIKKGE-DVUFPGTOSA-N 1 0 343.945 4.384 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000808715362 1048061016 /nfs/dbraw/zinc/06/10/16/1048061016.db2.gz KFCUEDOSBSRWIW-IFXJQAMLSA-N 1 0 333.859 4.302 20 10 EICDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808717226 1048066824 /nfs/dbraw/zinc/06/68/24/1048066824.db2.gz CDHKRMUHAZNKDC-LBPRGKRZSA-N 1 0 348.830 4.383 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000808722060 1048070574 /nfs/dbraw/zinc/07/05/74/1048070574.db2.gz YCXCSLFKNWUJSF-SPEDKVCISA-N 1 0 338.495 4.450 20 10 EICDRO CC(C)c1csc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825358381 1048076948 /nfs/dbraw/zinc/07/69/48/1048076948.db2.gz RAUNVBCMLXRUTE-UHFFFAOYSA-N 1 0 341.274 4.024 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1Cl ZINC000825396572 1048088038 /nfs/dbraw/zinc/08/80/38/1048088038.db2.gz VBIIPCVFAOTIRL-NHYWBVRUSA-N 1 0 325.861 4.017 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808732305 1048094662 /nfs/dbraw/zinc/09/46/62/1048094662.db2.gz IMSBPWVEFBBJDI-AUUYWEPGSA-N 1 0 332.875 4.444 20 10 EICDRO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219583 1048225933 /nfs/dbraw/zinc/22/59/33/1048225933.db2.gz LOSOYTTWQNRAQQ-HNNXBMFYSA-N 1 0 333.435 4.314 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000815107411 1048350816 /nfs/dbraw/zinc/35/08/16/1048350816.db2.gz AHVYLUYXYHZTIM-CYBMUJFWSA-N 1 0 348.288 4.151 20 10 EICDRO COc1cc(C[NH+]2CCC3(CC3(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000844726528 1048479593 /nfs/dbraw/zinc/47/95/93/1048479593.db2.gz YXCQAKAPJWEWKX-UHFFFAOYSA-N 1 0 339.426 4.320 20 10 EICDRO Cc1cc(Cl)ccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713455 1048491257 /nfs/dbraw/zinc/49/12/57/1048491257.db2.gz QTYJCPIZAYCXFE-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO COc1cccc(O)c1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735391 1048483859 /nfs/dbraw/zinc/48/38/59/1048483859.db2.gz FCXQEAAVBQLCHO-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO COCC[N@H+](Cc1ccccn1)Cc1cc(-c2ccccc2)ccc1O ZINC000809735127 1048483969 /nfs/dbraw/zinc/48/39/69/1048483969.db2.gz XTJYNHQFHBIFJS-UHFFFAOYSA-N 1 0 348.446 4.103 20 10 EICDRO Oc1ccc(F)cc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735549 1048485018 /nfs/dbraw/zinc/48/50/18/1048485018.db2.gz KIRQFULZBFNNHL-UHFFFAOYSA-N 1 0 336.410 4.171 20 10 EICDRO Cc1ccc2oc(C[NH2+]Cc3cc(Br)ccc3O)cc2c1 ZINC000809713315 1048490189 /nfs/dbraw/zinc/49/01/89/1048490189.db2.gz MIMFOQHCQCAPGE-UHFFFAOYSA-N 1 0 346.224 4.499 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767780 1048504291 /nfs/dbraw/zinc/50/42/91/1048504291.db2.gz SYBMUMOXYSCENX-INIZCTEOSA-N 1 0 341.842 4.060 20 10 EICDRO Cc1ccc(O)c(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000809737467 1048507847 /nfs/dbraw/zinc/50/78/47/1048507847.db2.gz SVFWJTGVVSLYBV-UHFFFAOYSA-N 1 0 332.447 4.341 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000815575998 1048516536 /nfs/dbraw/zinc/51/65/36/1048516536.db2.gz GQTILMZFZIOKII-NSHGMRRFSA-N 1 0 338.495 4.495 20 10 EICDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579269 1048518706 /nfs/dbraw/zinc/51/87/06/1048518706.db2.gz JBGDYCWVCNQISE-NBHGPNQESA-N 1 0 327.468 4.063 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3c(C)cc(C)cc3O)c2c1 ZINC000815579250 1048519291 /nfs/dbraw/zinc/51/92/91/1048519291.db2.gz IQJVBPOJWTZBFC-HNNXBMFYSA-N 1 0 338.451 4.392 20 10 EICDRO CC(C)(CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815582967 1048519964 /nfs/dbraw/zinc/51/99/64/1048519964.db2.gz UDWMBWINRCAUEU-HXUWFJFHSA-N 1 0 341.495 4.454 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000815581611 1048520529 /nfs/dbraw/zinc/52/05/29/1048520529.db2.gz LAZRYUANLFHFCW-OXJNMPFZSA-N 1 0 343.467 4.180 20 10 EICDRO CC[C@@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815587790 1048525867 /nfs/dbraw/zinc/52/58/67/1048525867.db2.gz TXRKWCSKPPDCHK-FXAWDEMLSA-N 1 0 327.468 4.064 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(O)c1 ZINC000815596026 1048529888 /nfs/dbraw/zinc/52/98/88/1048529888.db2.gz ILJVJXPQYMMOHH-GFCCVEGCSA-N 1 0 334.803 4.421 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(F)n1 ZINC000815598377 1048530318 /nfs/dbraw/zinc/53/03/18/1048530318.db2.gz TZRDOKHVEWMECC-LJQANCHMSA-N 1 0 336.410 4.390 20 10 EICDRO CC[C@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595261 1048531229 /nfs/dbraw/zinc/53/12/29/1048531229.db2.gz MEHNQWUPSHWQHX-ICSRJNTNSA-N 1 0 327.468 4.207 20 10 EICDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809784009 1048531812 /nfs/dbraw/zinc/53/18/12/1048531812.db2.gz OZQYCNKKDYUCLY-QGZVFWFLSA-N 1 0 345.439 4.001 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000815615715 1048542581 /nfs/dbraw/zinc/54/25/81/1048542581.db2.gz VYSYRZMLTKBXRD-AZUAARDMSA-N 1 0 325.452 4.082 20 10 EICDRO COc1ccncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815629802 1048552990 /nfs/dbraw/zinc/55/29/90/1048552990.db2.gz NOSZMNJBZMKLMY-FQEVSTJZSA-N 1 0 348.446 4.260 20 10 EICDRO C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccccc1O ZINC000815656157 1048559554 /nfs/dbraw/zinc/55/95/54/1048559554.db2.gz MRADXFAJMUYOGQ-CQSZACIVSA-N 1 0 343.496 4.110 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)c1ccccc1O ZINC000815660425 1048561694 /nfs/dbraw/zinc/56/16/94/1048561694.db2.gz ZARBVQJKIMXGNP-MOPGFXCFSA-N 1 0 344.524 4.458 20 10 EICDRO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(Cl)ccc1O ZINC000815636995 1048565911 /nfs/dbraw/zinc/56/59/11/1048565911.db2.gz IHNKYMUUJSKCOS-JTQLQIEISA-N 1 0 344.764 4.353 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000815642544 1048568795 /nfs/dbraw/zinc/56/87/95/1048568795.db2.gz FTAGISGNRUNSSA-HUUCEWRRSA-N 1 0 343.446 4.328 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815647722 1048573928 /nfs/dbraw/zinc/57/39/28/1048573928.db2.gz SMMUZKQZNGDKJI-STQMWFEESA-N 1 0 343.377 4.268 20 10 EICDRO CO[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815651409 1048575432 /nfs/dbraw/zinc/57/54/32/1048575432.db2.gz SDQFFYMEGTVWKI-FPOVZHCZSA-N 1 0 325.452 4.081 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810218149 1048685889 /nfs/dbraw/zinc/68/58/89/1048685889.db2.gz OYHOICJWXJWFEK-MRXNPFEDSA-N 1 0 338.373 4.398 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1O ZINC000810221128 1048687857 /nfs/dbraw/zinc/68/78/57/1048687857.db2.gz APMAXSRQSXMPNB-LRDDRELGSA-N 1 0 338.373 4.478 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc(Cl)c1 ZINC000810220029 1048688669 /nfs/dbraw/zinc/68/86/69/1048688669.db2.gz ZSZVLUVQUSRELO-IBGZPJMESA-N 1 0 332.875 4.192 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1OC)c1ccc(C(F)(F)F)cc1O ZINC000810210017 1048706846 /nfs/dbraw/zinc/70/68/46/1048706846.db2.gz ZCHVLCHHGRYLJO-AWEZNQCLSA-N 1 0 340.345 4.056 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(C(F)(F)F)cc1O ZINC000810237280 1048719026 /nfs/dbraw/zinc/71/90/26/1048719026.db2.gz BEYGKVPTURJCHM-BYCMXARLSA-N 1 0 331.378 4.003 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000810247415 1048727035 /nfs/dbraw/zinc/72/70/35/1048727035.db2.gz WCIOWCYNRGUXRU-BOUXLOLZSA-N 1 0 345.870 4.171 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)c2c1c(F)ccc2O ZINC000810252791 1048730321 /nfs/dbraw/zinc/73/03/21/1048730321.db2.gz JGBQVMCONUEACJ-WQBCIRTESA-N 1 0 347.455 4.219 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C)cc1O ZINC000810253286 1048731299 /nfs/dbraw/zinc/73/12/99/1048731299.db2.gz QEUCVPIRDOMFIS-LPHOPBHVSA-N 1 0 331.481 4.291 20 10 EICDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000845924489 1048765733 /nfs/dbraw/zinc/76/57/33/1048765733.db2.gz LJXWBAVEGYTITK-UHFFFAOYSA-N 1 0 326.509 4.092 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)c1 ZINC000845972784 1048773210 /nfs/dbraw/zinc/77/32/10/1048773210.db2.gz ULQHWMMFVXXABN-BBWFWOEESA-N 1 0 340.467 4.481 20 10 EICDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920811433 1048790699 /nfs/dbraw/zinc/79/06/99/1048790699.db2.gz IEHDFZLUVSZEIK-GOSISDBHSA-N 1 0 337.427 4.318 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(Cl)c1OC ZINC000846057861 1048793498 /nfs/dbraw/zinc/79/34/98/1048793498.db2.gz LBRKEMSLPKEIGS-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1OCCc2ccccc21 ZINC000816495847 1048816039 /nfs/dbraw/zinc/81/60/39/1048816039.db2.gz LMVYHNNJPKOZEE-OAQYLSRUSA-N 1 0 333.431 4.291 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000920956914 1048820704 /nfs/dbraw/zinc/82/07/04/1048820704.db2.gz FERLVKRLONMWHS-OAQYLSRUSA-N 1 0 326.484 4.136 20 10 EICDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846149896 1048823884 /nfs/dbraw/zinc/82/38/84/1048823884.db2.gz SWBWVGIDNBMWNU-DYVFJYSZSA-N 1 0 327.424 4.138 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)c1O ZINC000846168560 1048828364 /nfs/dbraw/zinc/82/83/64/1048828364.db2.gz KGLQCTYORMSYNV-WMLDXEAASA-N 1 0 326.440 4.023 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000846168008 1048828617 /nfs/dbraw/zinc/82/86/17/1048828617.db2.gz PWMGBBJBAMOQCW-SUMWQHHRSA-N 1 0 348.874 4.008 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)c1O ZINC000846136965 1048829419 /nfs/dbraw/zinc/82/94/19/1048829419.db2.gz OPVKYALJZCCVOX-HZPDHXFCSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846136647 1048829850 /nfs/dbraw/zinc/82/98/50/1048829850.db2.gz MPNSCYCGVOTJSI-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846141815 1048830245 /nfs/dbraw/zinc/83/02/45/1048830245.db2.gz UIXFKHSPQCMOCB-HNNXBMFYSA-N 1 0 328.456 4.098 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)c1O ZINC000846139499 1048831043 /nfs/dbraw/zinc/83/10/43/1048831043.db2.gz OEGGVHXAIVZUKU-NHYWBVRUSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000846142524 1048832187 /nfs/dbraw/zinc/83/21/87/1048832187.db2.gz VBSIUHDAQCWNBE-IXDGSTSKSA-N 1 0 345.414 4.111 20 10 EICDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207355 1048832517 /nfs/dbraw/zinc/83/25/17/1048832517.db2.gz NBJZKPGKZISCHM-DYESRHJHSA-N 1 0 348.494 4.121 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207200 1048832973 /nfs/dbraw/zinc/83/29/73/1048832973.db2.gz LJNMPWRRAXDXCL-LPHOPBHVSA-N 1 0 335.451 4.069 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)s2)c1O ZINC000846146665 1048832998 /nfs/dbraw/zinc/83/29/98/1048832998.db2.gz SULQJDUOPYTCGQ-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO Cc1ccnc(OC2CC[NH+](Cc3ccc4ccccc4c3O)CC2)c1 ZINC000816567419 1048836567 /nfs/dbraw/zinc/83/65/67/1048836567.db2.gz ZYESDPXYGWBUBH-UHFFFAOYSA-N 1 0 348.446 4.292 20 10 EICDRO Cn1cc(C[NH2+]Cc2ccc3ccccc3c2O)c(-c2ccccc2)n1 ZINC000816566989 1048837527 /nfs/dbraw/zinc/83/75/27/1048837527.db2.gz NMXQWJLWBPTWSH-UHFFFAOYSA-N 1 0 343.430 4.236 20 10 EICDRO OC[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816601371 1048842729 /nfs/dbraw/zinc/84/27/29/1048842729.db2.gz ZIHAYBPINWLOBG-QHCPKHFHSA-N 1 0 347.458 4.072 20 10 EICDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000772954154 1048907451 /nfs/dbraw/zinc/90/74/51/1048907451.db2.gz WVYGHSFPAQXLFR-MSOLQXFVSA-N 1 0 326.488 4.003 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccncc1Cl ZINC000817575533 1049006801 /nfs/dbraw/zinc/00/68/01/1049006801.db2.gz ICGMWXYFWMPMDC-CQSZACIVSA-N 1 0 347.915 4.139 20 10 EICDRO COc1cccc(C([NH2+]Cc2ccccc2O)c2cccc(OC)c2)c1 ZINC000174928209 1049018430 /nfs/dbraw/zinc/01/84/30/1049018430.db2.gz YYUIEKJXXHIUMC-UHFFFAOYSA-N 1 0 349.430 4.289 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(F)c(F)c3)C2)cc1 ZINC000818117188 1049091740 /nfs/dbraw/zinc/09/17/40/1049091740.db2.gz VXGXXIVMBXFJNT-CABCVRRESA-N 1 0 346.421 4.151 20 10 EICDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)c1 ZINC000811518903 1049107420 /nfs/dbraw/zinc/10/74/20/1049107420.db2.gz RBGZTRFDXQZQMY-HXUWFJFHSA-N 1 0 333.435 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C(F)F)cc3)C2)cc1 ZINC000818219198 1049113940 /nfs/dbraw/zinc/11/39/40/1049113940.db2.gz AGXHZTARBGQTMJ-INIZCTEOSA-N 1 0 346.421 4.249 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C/C(C)=C/c3ccccc3)C2)cc1 ZINC000818222680 1049118428 /nfs/dbraw/zinc/11/84/28/1049118428.db2.gz ZUCRAOHAFNPAKX-WORNYLJVSA-N 1 0 336.479 4.215 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818342716 1049135291 /nfs/dbraw/zinc/13/52/91/1049135291.db2.gz UVLGOCSMYNTEAQ-HZPDHXFCSA-N 1 0 328.456 4.028 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(CSC)CC3)C2)cc1 ZINC000818341726 1049135650 /nfs/dbraw/zinc/13/56/50/1049135650.db2.gz FCZDNPTUVUYBPK-ADKAHSJRSA-N 1 0 348.556 4.033 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C2)cc1 ZINC000818344364 1049139185 /nfs/dbraw/zinc/13/91/85/1049139185.db2.gz MJGVSIZUHZTQBY-CVEARBPZSA-N 1 0 336.545 4.031 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1O ZINC000282797392 1049462320 /nfs/dbraw/zinc/46/23/20/1049462320.db2.gz QPKHADOTPFOCHC-IAQYHMDHSA-N 1 0 348.240 4.329 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000773000544 1049517470 /nfs/dbraw/zinc/51/74/70/1049517470.db2.gz QIXOBANLZKRCKJ-SFHVURJKSA-N 1 0 342.483 4.319 20 10 EICDRO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006070 1049521200 /nfs/dbraw/zinc/52/12/00/1049521200.db2.gz BVJZBBMHYGLHCS-HRAATJIYSA-N 1 0 342.458 4.200 20 10 EICDRO Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000773046092 1049549724 /nfs/dbraw/zinc/54/97/24/1049549724.db2.gz ZXNNLXMQSULVKN-SFHVURJKSA-N 1 0 338.499 4.143 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000812735368 1049555486 /nfs/dbraw/zinc/55/54/86/1049555486.db2.gz CISBSNUUCXOCIF-CRAIPNDOSA-N 1 0 328.431 4.099 20 10 EICDRO Cc1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000747816869 1049575346 /nfs/dbraw/zinc/57/53/46/1049575346.db2.gz KKSIAGPSSLIPTA-SFHVURJKSA-N 1 0 341.499 4.241 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC000812781001 1049576056 /nfs/dbraw/zinc/57/60/56/1049576056.db2.gz DSBGYRJPJFOABL-CABCVRRESA-N 1 0 331.378 4.344 20 10 EICDRO Cc1cnccc1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773107617 1049586021 /nfs/dbraw/zinc/58/60/21/1049586021.db2.gz YSFYCKJOUXCSFP-QGZVFWFLSA-N 1 0 341.474 4.413 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000812835093 1049603976 /nfs/dbraw/zinc/60/39/76/1049603976.db2.gz LQSVEULGWCSAMM-RTWAWAEBSA-N 1 0 328.500 4.222 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 ZINC000237568917 1049615857 /nfs/dbraw/zinc/61/58/57/1049615857.db2.gz CMWYPMFIINLKTD-HNAYVOBHSA-N 1 0 344.886 4.188 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000813330837 1049752607 /nfs/dbraw/zinc/75/26/07/1049752607.db2.gz HJNCYIQIYCETQO-ZDUSSCGKSA-N 1 0 344.411 4.283 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)C2)cc1 ZINC000822494241 1049762583 /nfs/dbraw/zinc/76/25/83/1049762583.db2.gz KLRPATSBZOAGEL-GJYPPUQNSA-N 1 0 348.556 4.031 20 10 EICDRO CCOCc1cc(C[NH2+]CCOc2ccc(C)cc2C)ccc1OC ZINC000747854064 1049765704 /nfs/dbraw/zinc/76/57/04/1049765704.db2.gz LWFGRXJBMOQKKW-UHFFFAOYSA-N 1 0 343.467 4.017 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cccs3)C2)cc1 ZINC000237894264 1049811739 /nfs/dbraw/zinc/81/17/39/1049811739.db2.gz WQXHVYHNUYTPRC-CYBMUJFWSA-N 1 0 338.423 4.108 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000813782483 1049815753 /nfs/dbraw/zinc/81/57/53/1049815753.db2.gz BFGVEYLXORXJJK-YADHBBJMSA-N 1 0 333.431 4.265 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000813792796 1049818340 /nfs/dbraw/zinc/81/83/40/1049818340.db2.gz COUZNJXVLLIFSL-QRWLVFNGSA-N 1 0 344.524 4.386 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1O ZINC001171975666 1049837730 /nfs/dbraw/zinc/83/77/30/1049837730.db2.gz NPJNSUDQKJFVNZ-MJGOQNOKSA-N 1 0 338.495 4.486 20 10 EICDRO CCOC1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823404537 1049845248 /nfs/dbraw/zinc/84/52/48/1049845248.db2.gz RWVDRDBWUOEMFY-UHFFFAOYSA-N 1 0 344.524 4.385 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000772877323 1049884357 /nfs/dbraw/zinc/88/43/57/1049884357.db2.gz ZBTVOFRWYWFXEB-UHFFFAOYSA-N 1 0 336.426 4.179 20 10 EICDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180950532 1049967939 /nfs/dbraw/zinc/96/79/39/1049967939.db2.gz CKUNWSGRKBOUCI-UHFFFAOYSA-N 1 0 332.378 4.360 20 10 EICDRO COc1ccc(O)c(C[NH2+]CCc2nc(C3CCCCC3)cs2)c1 ZINC000181341842 1050103500 /nfs/dbraw/zinc/10/35/00/1050103500.db2.gz SSUSPNYXTNAFCS-UHFFFAOYSA-N 1 0 346.496 4.237 20 10 EICDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001177267661 1050183860 /nfs/dbraw/zinc/18/38/60/1050183860.db2.gz KVJVNUMTZUSNTF-HIFRSBDPSA-N 1 0 337.305 4.185 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1O ZINC000181582699 1050220854 /nfs/dbraw/zinc/22/08/54/1050220854.db2.gz OWMOSNMUGZFOCN-VIFPVBQESA-N 1 0 339.769 4.377 20 10 EICDRO C[C@H]([NH2+]C(C)(C)CNCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733900814 1050234648 /nfs/dbraw/zinc/23/46/48/1050234648.db2.gz KINUCLGOCLANJI-INIZCTEOSA-N 1 0 343.490 4.111 20 10 EICDRO COc1ccc(Cl)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001177519360 1050237589 /nfs/dbraw/zinc/23/75/89/1050237589.db2.gz AUJIUPYIUFEOMG-UHFFFAOYSA-N 1 0 328.843 4.439 20 10 EICDRO COc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)c(O)c1 ZINC001203634499 1050272918 /nfs/dbraw/zinc/27/29/18/1050272918.db2.gz JDBJYRQPTGNNEG-UHFFFAOYSA-N 1 0 329.465 4.158 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCC2(CCOCC2)CC1 ZINC001173049810 1050273079 /nfs/dbraw/zinc/27/30/79/1050273079.db2.gz HWZXMRGPKHBGAN-UHFFFAOYSA-N 1 0 342.527 4.458 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001177744077 1050291630 /nfs/dbraw/zinc/29/16/30/1050291630.db2.gz QUKIANSFWKNYPO-DENIHFKCSA-N 1 0 349.522 4.212 20 10 EICDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001177744080 1050291821 /nfs/dbraw/zinc/29/18/21/1050291821.db2.gz QUKIANSFWKNYPO-UGKGYDQZSA-N 1 0 349.522 4.212 20 10 EICDRO CC[NH+](CC)C1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001173107665 1050307042 /nfs/dbraw/zinc/30/70/42/1050307042.db2.gz IKNIYPGGVHXHSH-UHFFFAOYSA-N 1 0 326.484 4.288 20 10 EICDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000069716549 1050313251 /nfs/dbraw/zinc/31/32/51/1050313251.db2.gz IUADUXRAYBNYCQ-HNAYVOBHSA-N 1 0 342.508 4.246 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893762 1050320979 /nfs/dbraw/zinc/32/09/79/1050320979.db2.gz NLHMZLHDWLRJKG-LQOHYYORSA-N 1 0 335.495 4.024 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173131800 1050322409 /nfs/dbraw/zinc/32/24/09/1050322409.db2.gz DWEUTMQNUOGTQO-BFUOFWGJSA-N 1 0 342.508 4.236 20 10 EICDRO CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001173274309 1050391238 /nfs/dbraw/zinc/39/12/38/1050391238.db2.gz PKEACGZMXCHFMA-IALDWUNLSA-N 1 0 340.467 4.007 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000773733547 1050415651 /nfs/dbraw/zinc/41/56/51/1050415651.db2.gz JNXRHSRMOXCPQS-UHFFFAOYSA-N 1 0 338.495 4.324 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCSC(C)(C)C)c(C(F)(F)F)c1 ZINC001178272452 1050423310 /nfs/dbraw/zinc/42/33/10/1050423310.db2.gz UUKOCGLTPWXZAJ-UHFFFAOYSA-N 1 0 334.451 4.393 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC001178426162 1050467684 /nfs/dbraw/zinc/46/76/84/1050467684.db2.gz VBJLKNDKXJGBNN-HXUWFJFHSA-N 1 0 342.870 4.137 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC001178532772 1050492893 /nfs/dbraw/zinc/49/28/93/1050492893.db2.gz XHGGWAKMQQDHKX-PGRDOPGGSA-N 1 0 339.527 4.314 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC001178532773 1050496281 /nfs/dbraw/zinc/49/62/81/1050496281.db2.gz XHGGWAKMQQDHKX-XMSQKQJNSA-N 1 0 339.527 4.314 20 10 EICDRO CCC1(CC)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001178609753 1050518758 /nfs/dbraw/zinc/51/87/58/1050518758.db2.gz JTFAFOYEGVYMKL-UHFFFAOYSA-N 1 0 344.543 4.486 20 10 EICDRO COC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC(C)CC1 ZINC001178629071 1050520641 /nfs/dbraw/zinc/52/06/41/1050520641.db2.gz JJZCTIJDQSKNGR-UHFFFAOYSA-N 1 0 330.516 4.362 20 10 EICDRO CSCc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001178688643 1050532903 /nfs/dbraw/zinc/53/29/03/1050532903.db2.gz MUNSJBATCKGOIG-UHFFFAOYSA-N 1 0 336.451 4.184 20 10 EICDRO COc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)c(O)c(C(C)(C)C)c1 ZINC001178747619 1050542625 /nfs/dbraw/zinc/54/26/25/1050542625.db2.gz NWNVWQMNOIXZMS-ZDUSSCGKSA-N 1 0 327.415 4.223 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000775139737 1050598666 /nfs/dbraw/zinc/59/86/66/1050598666.db2.gz GFDCKWLKMJPCKS-KRWDZBQOSA-N 1 0 339.483 4.087 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC001179044652 1050612537 /nfs/dbraw/zinc/61/25/37/1050612537.db2.gz MCKCNBLHOBTZKD-FCHUYYIVSA-N 1 0 343.559 4.420 20 10 EICDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1Cl ZINC000763517978 1050617477 /nfs/dbraw/zinc/61/74/77/1050617477.db2.gz VXTZCHDGDLRVCD-MRXNPFEDSA-N 1 0 326.223 4.176 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(C3CCCC3)n2)c1 ZINC000182368255 1050629498 /nfs/dbraw/zinc/62/94/98/1050629498.db2.gz CNWZNFQVABYPNC-GFCCVEGCSA-N 1 0 332.469 4.366 20 10 EICDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001179122842 1050636721 /nfs/dbraw/zinc/63/67/21/1050636721.db2.gz HHJCRRZIBSVAKE-HNNXBMFYSA-N 1 0 346.421 4.122 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC001179316272 1050673651 /nfs/dbraw/zinc/67/36/51/1050673651.db2.gz RYCBUVZDZJHUQH-SREVYHEPSA-N 1 0 330.516 4.482 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(C)n1-c1ccccc1 ZINC001179333338 1050676734 /nfs/dbraw/zinc/67/67/34/1050676734.db2.gz USRYHSDSAQSJRD-UHFFFAOYSA-N 1 0 344.462 4.340 20 10 EICDRO Cl/C=C\C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001179747321 1050769939 /nfs/dbraw/zinc/76/99/39/1050769939.db2.gz KFPAZGVPDOLHHL-DAXSKMNVSA-N 1 0 343.696 4.282 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001179788749 1050778786 /nfs/dbraw/zinc/77/87/86/1050778786.db2.gz DOJUKMOJNSBEFK-QMHKHESXSA-N 1 0 348.490 4.361 20 10 EICDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906290 1050830768 /nfs/dbraw/zinc/83/07/68/1050830768.db2.gz WRYAEEPCYAKAFX-ZDUSSCGKSA-N 1 0 334.485 4.230 20 10 EICDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1O ZINC001179914511 1050833225 /nfs/dbraw/zinc/83/32/25/1050833225.db2.gz YKBQTYCLSWPTQN-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857344 /nfs/dbraw/zinc/85/73/44/1050857344.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 1 0 336.907 4.132 20 10 EICDRO C[C@H](C[N@H+](C)Cc1c(O)cccc1Br)c1ccccc1 ZINC001180072302 1050872640 /nfs/dbraw/zinc/87/26/40/1050872640.db2.gz QHKSORODCDCGOW-CYBMUJFWSA-N 1 0 334.257 4.390 20 10 EICDRO COc1ccc(F)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001180078069 1050877038 /nfs/dbraw/zinc/87/70/38/1050877038.db2.gz YJAHBNXNYVEXAF-UHFFFAOYSA-N 1 0 330.447 4.311 20 10 EICDRO CC(C)[PH+](CCNC(=O)/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001180130407 1050880453 /nfs/dbraw/zinc/88/04/53/1050880453.db2.gz MLNXIAIIPGEGQU-FMIVXFBMSA-N 1 0 334.444 4.181 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c(O)c1 ZINC001180133347 1050883876 /nfs/dbraw/zinc/88/38/76/1050883876.db2.gz UVEZCLPALLBRMM-NRFANRHFSA-N 1 0 325.452 4.263 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001180174957 1050895286 /nfs/dbraw/zinc/89/52/86/1050895286.db2.gz PQHVDBIKRPUPSA-YIEJHSOVSA-N 1 0 340.467 4.040 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](Cc2ccccc2)OC)cc1 ZINC001180359447 1050968167 /nfs/dbraw/zinc/96/81/67/1050968167.db2.gz MPDNXEWPPSSVKT-JOCHJYFZSA-N 1 0 340.511 4.222 20 10 EICDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc(C(C)C)ccc3O)CC2)c1 ZINC001180378646 1050973986 /nfs/dbraw/zinc/97/39/86/1050973986.db2.gz BITRXJTXUKFCQZ-UHFFFAOYSA-N 1 0 338.495 4.455 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000183226615 1051028834 /nfs/dbraw/zinc/02/88/34/1051028834.db2.gz NJNNXUIPNWGYLU-CQSZACIVSA-N 1 0 348.462 4.369 20 10 EICDRO CC(=O)c1ccc(OCc2ccccc2)c(Nc2cc[nH+]cc2C)c1O ZINC001174538646 1051030706 /nfs/dbraw/zinc/03/07/06/1051030706.db2.gz OKZWKMJICKDZAN-UHFFFAOYSA-N 1 0 348.402 4.043 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c1O ZINC001180593033 1051047976 /nfs/dbraw/zinc/04/79/76/1051047976.db2.gz JAOJTLSNXRPRQZ-NRFANRHFSA-N 1 0 325.452 4.306 20 10 EICDRO CC(C)c1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC001180665282 1051059657 /nfs/dbraw/zinc/05/96/57/1051059657.db2.gz MBWRSGCVNXIVEE-UHFFFAOYSA-N 1 0 326.484 4.387 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001180674566 1051063710 /nfs/dbraw/zinc/06/37/10/1051063710.db2.gz VDCQMYKJNLAEAY-WAYWQWQTSA-N 1 0 339.439 4.199 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC000775345589 1051115746 /nfs/dbraw/zinc/11/57/46/1051115746.db2.gz PKNFDYBKUSBWGU-INIZCTEOSA-N 1 0 333.815 4.058 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(N(C)C)cc1 ZINC000775362446 1051129935 /nfs/dbraw/zinc/12/99/35/1051129935.db2.gz HHJUOSBOLBFSGM-CQSZACIVSA-N 1 0 338.480 4.122 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000775365196 1051134300 /nfs/dbraw/zinc/13/43/00/1051134300.db2.gz PETNYYMCVNVBFC-FQEVSTJZSA-N 1 0 336.483 4.111 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2coc3ccccc23)c1 ZINC001181543297 1051247732 /nfs/dbraw/zinc/24/77/32/1051247732.db2.gz CISMTLNTLZWCTB-KGLIPLIRSA-N 1 0 325.408 4.429 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2coc3ccccc23)c1 ZINC001181543296 1051249194 /nfs/dbraw/zinc/24/91/94/1051249194.db2.gz CISMTLNTLZWCTB-KBPBESRZSA-N 1 0 325.408 4.429 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1O ZINC000775415980 1051291014 /nfs/dbraw/zinc/29/10/14/1051291014.db2.gz SJYPLJVCHFRAJZ-NVXWUHKLSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1ccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC001181763256 1051298616 /nfs/dbraw/zinc/29/86/16/1051298616.db2.gz GPBMSFTUZPAMIG-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001182237936 1051445179 /nfs/dbraw/zinc/44/51/79/1051445179.db2.gz HIEFUYBGSDPFQC-CABCVRRESA-N 1 0 340.458 4.106 20 10 EICDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182286812 1051468425 /nfs/dbraw/zinc/46/84/25/1051468425.db2.gz YOCXZESDBFGZED-MRXNPFEDSA-N 1 0 335.488 4.089 20 10 EICDRO Cc1ccc(Br)c(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001182424140 1051545486 /nfs/dbraw/zinc/54/54/86/1051545486.db2.gz OOVSIJXKRNQIMV-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001182425124 1051545515 /nfs/dbraw/zinc/54/55/15/1051545515.db2.gz ZNPPXHPXQCRVMO-GOSISDBHSA-N 1 0 344.543 4.321 20 10 EICDRO CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485185 1051555975 /nfs/dbraw/zinc/55/59/75/1051555975.db2.gz PQZZEOSXAWTKNV-AWEZNQCLSA-N 1 0 331.287 4.226 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1O ZINC000775491212 1051574788 /nfs/dbraw/zinc/57/47/88/1051574788.db2.gz CGIAHHXDTFZIQY-KRWDZBQOSA-N 1 0 345.874 4.282 20 10 EICDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000774472024 1051604106 /nfs/dbraw/zinc/60/41/06/1051604106.db2.gz LBENUTWCSMJSJE-PXNSSMCTSA-N 1 0 344.499 4.013 20 10 EICDRO CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Cl)ccc1O ZINC000775496334 1051615501 /nfs/dbraw/zinc/61/55/01/1051615501.db2.gz GNNOBYRJKIIENS-GOSISDBHSA-N 1 0 330.859 4.102 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1O ZINC000775498168 1051616875 /nfs/dbraw/zinc/61/68/75/1051616875.db2.gz XSSWWDDZZMTYBU-QGZVFWFLSA-N 1 0 341.451 4.182 20 10 EICDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001182555422 1051629222 /nfs/dbraw/zinc/62/92/22/1051629222.db2.gz PUXAOTGPHFDRDB-LJQANCHMSA-N 1 0 344.524 4.384 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1O ZINC000775504181 1051645310 /nfs/dbraw/zinc/64/53/10/1051645310.db2.gz VDGFFRNYTYTHJO-HZMBPMFUSA-N 1 0 345.830 4.429 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(Br)ccc1O ZINC000775513464 1051650547 /nfs/dbraw/zinc/65/05/47/1051650547.db2.gz ZLRPZDOXBFZSHP-MLGOLLRUSA-N 1 0 349.272 4.394 20 10 EICDRO CC[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511434 1051658509 /nfs/dbraw/zinc/65/85/09/1051658509.db2.gz FPPHGSIVHOPUTA-QMTHXVAHSA-N 1 0 340.876 4.450 20 10 EICDRO CC[C@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cc(Cl)ccc1O ZINC000775511658 1051660161 /nfs/dbraw/zinc/66/01/61/1051660161.db2.gz GSOASYGWDDPEKH-AWEZNQCLSA-N 1 0 329.831 4.471 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000775521904 1051689296 /nfs/dbraw/zinc/68/92/96/1051689296.db2.gz DKWBUFGOSXBBMI-KMFMINBZSA-N 1 0 341.904 4.141 20 10 EICDRO CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Cl)ccc1O ZINC000775523730 1051701977 /nfs/dbraw/zinc/70/19/77/1051701977.db2.gz MWBYFAYNQNWPNQ-LBPRGKRZSA-N 1 0 347.768 4.039 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Cl)ccc1O ZINC000775523619 1051703926 /nfs/dbraw/zinc/70/39/26/1051703926.db2.gz LCBIQSQYUJZDIO-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000775526901 1051717319 /nfs/dbraw/zinc/71/73/19/1051717319.db2.gz NLZJLBLULFKNCQ-DOTOQJQBSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000775527987 1051718238 /nfs/dbraw/zinc/71/82/38/1051718238.db2.gz WZAOVJXNEHWZPG-GYOIFBIXSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000775526600 1051719451 /nfs/dbraw/zinc/71/94/51/1051719451.db2.gz SHJRNSNOLQLHMF-QAPCUYQASA-N 1 0 328.431 4.241 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC001182856649 1051722740 /nfs/dbraw/zinc/72/27/40/1051722740.db2.gz WUHOFYFOMCOCGH-UFYCRDLUSA-N 1 0 336.479 4.200 20 10 EICDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182999545 1051762293 /nfs/dbraw/zinc/76/22/93/1051762293.db2.gz IHIMYAJVDDAFSU-OAHLLOKOSA-N 1 0 346.641 4.176 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1O ZINC000775540540 1051789476 /nfs/dbraw/zinc/78/94/76/1051789476.db2.gz LQPUUXCEINPNDP-SIUPPRGNSA-N 1 0 335.875 4.434 20 10 EICDRO COC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCCCC1 ZINC000775562021 1051850307 /nfs/dbraw/zinc/85/03/07/1051850307.db2.gz ALUKVDFYLPUMIR-GFCCVEGCSA-N 1 0 342.277 4.155 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1O ZINC001194536030 1052165997 /nfs/dbraw/zinc/16/59/97/1052165997.db2.gz XSFYGBWRXCBPGP-MRXNPFEDSA-N 1 0 327.399 4.114 20 10 EICDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001194551844 1052167911 /nfs/dbraw/zinc/16/79/11/1052167911.db2.gz NAGMZQBEJVBNEG-MRXNPFEDSA-N 1 0 343.902 4.117 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1O ZINC001203609028 1052180775 /nfs/dbraw/zinc/18/07/75/1052180775.db2.gz GSFIMUCIKGUUTI-AWEZNQCLSA-N 1 0 331.843 4.434 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1O)O[C@H](C)C2 ZINC000184898108 1052298054 /nfs/dbraw/zinc/29/80/54/1052298054.db2.gz MDRKAJRIQNRVNN-CHWSQXEVSA-N 1 0 345.414 4.104 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC(F)F ZINC000184949956 1052330351 /nfs/dbraw/zinc/33/03/51/1052330351.db2.gz JQFHOAACDVRQHQ-LBPRGKRZSA-N 1 0 337.366 4.161 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c(O)c1 ZINC000185010426 1052360213 /nfs/dbraw/zinc/36/02/13/1052360213.db2.gz ARELVVIBPWHIHF-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185049625 1052377980 /nfs/dbraw/zinc/37/79/80/1052377980.db2.gz BEHNZHUTWUGPLJ-HNNXBMFYSA-N 1 0 329.440 4.431 20 10 EICDRO COCc1cccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185038630 1052387311 /nfs/dbraw/zinc/38/73/11/1052387311.db2.gz XOMFMBRULLUOPP-HNNXBMFYSA-N 1 0 325.452 4.268 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c1OC ZINC000185076946 1052388315 /nfs/dbraw/zinc/38/83/15/1052388315.db2.gz UHMCMKXFGRKRFF-CQSZACIVSA-N 1 0 337.419 4.413 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(O)c1 ZINC000185062640 1052388587 /nfs/dbraw/zinc/38/85/87/1052388587.db2.gz WOGKNEQWQBAMQX-INIZCTEOSA-N 1 0 342.508 4.105 20 10 EICDRO CC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1O ZINC000186136270 1052937633 /nfs/dbraw/zinc/93/76/33/1052937633.db2.gz GMHYOMPADVIOOM-GOSISDBHSA-N 1 0 326.465 4.238 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1nccs1 ZINC000850151102 1053077713 /nfs/dbraw/zinc/07/77/13/1053077713.db2.gz UFSXZTHWBOWNCP-HNNXBMFYSA-N 1 0 334.485 4.396 20 10 EICDRO CCc1noc(CC)c1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850182490 1053081695 /nfs/dbraw/zinc/08/16/95/1053081695.db2.gz HEKUHPQONXNOHN-UHFFFAOYSA-N 1 0 346.471 4.101 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000850285325 1053105972 /nfs/dbraw/zinc/10/59/72/1053105972.db2.gz WNKSTFLQIUCFSR-GOSISDBHSA-N 1 0 347.499 4.137 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4c(cccc4C)[nH]3)C2)cc1 ZINC000850331073 1053115294 /nfs/dbraw/zinc/11/52/94/1053115294.db2.gz WOKVGAABJBVLKT-QGZVFWFLSA-N 1 0 349.478 4.101 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCc3ccc(O)cc32)c(O)c(C(C)(C)C)c1 ZINC000850387547 1053159007 /nfs/dbraw/zinc/15/90/07/1053159007.db2.gz UMZLIMCPTKHOGX-IBGZPJMESA-N 1 0 341.451 4.181 20 10 EICDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406601 1053172140 /nfs/dbraw/zinc/17/21/40/1053172140.db2.gz MYCIIFOEWPYPGT-GOSISDBHSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764564256 1053198094 /nfs/dbraw/zinc/19/80/94/1053198094.db2.gz PZOLDGRCTABSCU-FXAWDEMLSA-N 1 0 341.499 4.223 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000764635026 1053241677 /nfs/dbraw/zinc/24/16/77/1053241677.db2.gz KTEBZOUHVHYXLD-SFHVURJKSA-N 1 0 330.859 4.410 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654577 1053249982 /nfs/dbraw/zinc/24/99/82/1053249982.db2.gz DHGQHVFIPKOXPZ-MEDUHNTESA-N 1 0 339.357 4.327 20 10 EICDRO CC[C@H]([NH2+]CCc1noc2ccccc21)c1cc(Cl)ccc1O ZINC000850483481 1053251670 /nfs/dbraw/zinc/25/16/70/1053251670.db2.gz QGYILKJYXCLJTH-HNNXBMFYSA-N 1 0 330.815 4.470 20 10 EICDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000850480968 1053253166 /nfs/dbraw/zinc/25/31/66/1053253166.db2.gz GCRZAIJHTYGWPM-HJOIGYKYSA-N 1 0 334.479 4.282 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000850482567 1053254223 /nfs/dbraw/zinc/25/42/23/1053254223.db2.gz KAVLKGXHAVLEHB-XHDPSFHLSA-N 1 0 326.371 4.053 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488778 1053255022 /nfs/dbraw/zinc/25/50/22/1053255022.db2.gz OSJGBOFIWGEWGQ-CABCVRRESA-N 1 0 345.512 4.205 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](CC(C)C)c3ccccn3)C2)cc1 ZINC000850488817 1053255909 /nfs/dbraw/zinc/25/59/09/1053255909.db2.gz OXMZNABADQLTRF-LAUBAEHRSA-N 1 0 339.483 4.046 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](CC(C)C)c3ccccn3)C2)cc1 ZINC000850488815 1053256535 /nfs/dbraw/zinc/25/65/35/1053256535.db2.gz OXMZNABADQLTRF-DYESRHJHSA-N 1 0 339.483 4.046 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCn2c(C)nc3ccccc32)cc1 ZINC000764667957 1053261196 /nfs/dbraw/zinc/26/11/96/1053261196.db2.gz TUJMBCCFDDYNOZ-INIZCTEOSA-N 1 0 336.483 4.152 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cscn1 ZINC000850511787 1053267414 /nfs/dbraw/zinc/26/74/14/1053267414.db2.gz NDONDHJYNSHCQB-IUCAKERBSA-N 1 0 327.247 4.023 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cccc(OC)c1 ZINC000850512917 1053269717 /nfs/dbraw/zinc/26/97/17/1053269717.db2.gz BWQRGKSAPRDLGF-YVEFUNNKSA-N 1 0 335.831 4.093 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513806 1053274831 /nfs/dbraw/zinc/27/48/31/1053274831.db2.gz JPVVBKNTSMBTCI-KXBFYZLASA-N 1 0 329.440 4.056 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](COC)c2cccc(OC)c2)cc1 ZINC000850515006 1053275494 /nfs/dbraw/zinc/27/54/94/1053275494.db2.gz TUWYZCCWJUYRPC-IIBYNOLFSA-N 1 0 342.483 4.190 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000764750761 1053295206 /nfs/dbraw/zinc/29/52/06/1053295206.db2.gz WQRQKNAUKKMSAL-RBUKOAKNSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535828 1053297684 /nfs/dbraw/zinc/29/76/84/1053297684.db2.gz CBWAJLRQTUJDDD-ZANVPECISA-N 1 0 334.204 4.241 20 10 EICDRO Cc1cc(Br)cc(C[N@H+](C)Cc2cccs2)c1O ZINC000775642197 1053301623 /nfs/dbraw/zinc/30/16/23/1053301623.db2.gz IGBYWQVLISJVIJ-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1O ZINC000850542795 1053304075 /nfs/dbraw/zinc/30/40/75/1053304075.db2.gz CCVAFDCQFWMEDC-HWPZZCPQSA-N 1 0 348.240 4.198 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)c(O)c1C ZINC000850554431 1053308330 /nfs/dbraw/zinc/30/83/30/1053308330.db2.gz JKCZPSQJLJSFKV-VDGAXYAQSA-N 1 0 327.468 4.418 20 10 EICDRO C[C@H]([NH2+]CC1SCCS1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850560652 1053313961 /nfs/dbraw/zinc/31/39/61/1053313961.db2.gz GUPIHULSUNJAJY-ZDUSSCGKSA-N 1 0 340.533 4.273 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569314 1053321697 /nfs/dbraw/zinc/32/16/97/1053321697.db2.gz ACEPEGFOIGKFOW-CQSZACIVSA-N 1 0 325.330 4.374 20 10 EICDRO C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572471 1053326601 /nfs/dbraw/zinc/32/66/01/1053326601.db2.gz KMGJAIUGGPGUKB-VQIMIIECSA-N 1 0 335.451 4.150 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1nccn1C ZINC000850572493 1053327552 /nfs/dbraw/zinc/32/75/52/1053327552.db2.gz KSCGLTNKRLJNKO-DLBZAZTESA-N 1 0 326.488 4.212 20 10 EICDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584370 1053334231 /nfs/dbraw/zinc/33/42/31/1053334231.db2.gz QWHBIDRJBZAIST-NJNPRVFISA-N 1 0 338.495 4.450 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000776496995 1053370163 /nfs/dbraw/zinc/37/01/63/1053370163.db2.gz DZSLVAMZTBEJTC-NRFANRHFSA-N 1 0 338.495 4.372 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1O ZINC000794792887 1053388032 /nfs/dbraw/zinc/38/80/32/1053388032.db2.gz GZVPTXIQYUBHPL-PMACEKPBSA-N 1 0 342.483 4.053 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803720 1053395793 /nfs/dbraw/zinc/39/57/93/1053395793.db2.gz SMOPEPSUZBLEQG-HNAYVOBHSA-N 1 0 329.440 4.217 20 10 EICDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C(C)C)c1O ZINC000764978310 1053397018 /nfs/dbraw/zinc/39/70/18/1053397018.db2.gz WHHGXSCENNHKSQ-FXAWDEMLSA-N 1 0 325.452 4.450 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1O ZINC000794807024 1053400344 /nfs/dbraw/zinc/40/03/44/1053400344.db2.gz JFEVQCHOQPFVJY-OXJNMPFZSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1O ZINC000794808358 1053403262 /nfs/dbraw/zinc/40/32/62/1053403262.db2.gz AGPXOPQINGMCIY-YOEHRIQHSA-N 1 0 345.874 4.069 20 10 EICDRO Oc1ccccc1C[N@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000109761306 1053420123 /nfs/dbraw/zinc/42/01/23/1053420123.db2.gz VDIRIYMRIDPHDW-UHFFFAOYSA-N 1 0 339.439 4.054 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1O ZINC000794815274 1053422144 /nfs/dbraw/zinc/42/21/44/1053422144.db2.gz JPQRSLNPLUXAOW-WMZOPIPTSA-N 1 0 337.822 4.267 20 10 EICDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccc1O ZINC000109771410 1053423037 /nfs/dbraw/zinc/42/30/37/1053423037.db2.gz INDULCPMABAOIL-UHFFFAOYSA-N 1 0 334.419 4.006 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000765038292 1053427512 /nfs/dbraw/zinc/42/75/12/1053427512.db2.gz RJOIQXZOOMSCID-LSDHHAIUSA-N 1 0 337.467 4.049 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1O ZINC000794817709 1053432123 /nfs/dbraw/zinc/43/21/23/1053432123.db2.gz VDCSQXMZDVIFKD-HKUYNNGSSA-N 1 0 333.859 4.302 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc(C)n1)c1cc(Br)ccc1O ZINC000794827915 1053439407 /nfs/dbraw/zinc/43/94/07/1053439407.db2.gz MBVXEEDVMOHJOV-INIZCTEOSA-N 1 0 349.272 4.142 20 10 EICDRO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(N2CCCCCC2)cc1 ZINC000794827106 1053439857 /nfs/dbraw/zinc/43/98/57/1053439857.db2.gz FXDUJPRVRHVXAR-MRXNPFEDSA-N 1 0 327.447 4.452 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765101099 1053442557 /nfs/dbraw/zinc/44/25/57/1053442557.db2.gz CGKWYZJMYKZUDJ-KRWDZBQOSA-N 1 0 325.500 4.450 20 10 EICDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000794832471 1053443222 /nfs/dbraw/zinc/44/32/22/1053443222.db2.gz SLEHMTOJLASYHO-ORYQWCPZSA-N 1 0 326.484 4.306 20 10 EICDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765144176 1053453280 /nfs/dbraw/zinc/45/32/80/1053453280.db2.gz VWTZFHDPAPBICK-GOSISDBHSA-N 1 0 340.515 4.313 20 10 EICDRO Oc1ccc2oc3c(c2c1C[NH+]1CCC(C(F)F)CC1)CCCC3 ZINC000765149603 1053453682 /nfs/dbraw/zinc/45/36/82/1053453682.db2.gz LRUMLXCTKOTCSW-UHFFFAOYSA-N 1 0 335.394 4.494 20 10 EICDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000691779251 1053455016 /nfs/dbraw/zinc/45/50/16/1053455016.db2.gz WNPQNQYOVGZCIX-UHFFFAOYSA-N 1 0 328.412 4.029 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000775667497 1053458121 /nfs/dbraw/zinc/45/81/21/1053458121.db2.gz JTCWKSFRBAHWHI-LAUBAEHRSA-N 1 0 341.451 4.001 20 10 EICDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000765272292 1053485777 /nfs/dbraw/zinc/48/57/77/1053485777.db2.gz QQMWCAOIDYNOKP-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO Cc1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(C)n1-c1cccc(C)c1 ZINC000765279808 1053490985 /nfs/dbraw/zinc/49/09/85/1053490985.db2.gz IRLXSFHESFKBRE-HXUWFJFHSA-N 1 0 334.467 4.293 20 10 EICDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765288181 1053495140 /nfs/dbraw/zinc/49/51/40/1053495140.db2.gz VSBSBJYCOLLTHP-QUCCMNQESA-N 1 0 348.506 4.091 20 10 EICDRO Cc1scc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432254 1053503376 /nfs/dbraw/zinc/50/33/76/1053503376.db2.gz STFPFJMDGOMRLS-OAHLLOKOSA-N 1 0 330.497 4.052 20 10 EICDRO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839051 1053514378 /nfs/dbraw/zinc/51/43/78/1053514378.db2.gz YHXOIAOSQGPFLH-HOHBBMLPSA-N 1 0 341.543 4.344 20 10 EICDRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765371125 1053519258 /nfs/dbraw/zinc/51/92/58/1053519258.db2.gz NWQRJWUYILROJB-CQSZACIVSA-N 1 0 345.874 4.004 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(C)ccc43)CC2)cc1 ZINC000765424532 1053542763 /nfs/dbraw/zinc/54/27/63/1053542763.db2.gz HFYQARZJFBOFJH-JOCHJYFZSA-N 1 0 336.479 4.250 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccccc2OC)c1 ZINC000775682499 1053557472 /nfs/dbraw/zinc/55/74/72/1053557472.db2.gz ZHLNGLOTJCOAAE-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765478864 1053561963 /nfs/dbraw/zinc/56/19/63/1053561963.db2.gz GMMOCRVITDCDBC-HXUWFJFHSA-N 1 0 336.479 4.381 20 10 EICDRO CC1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC001195995450 1053565011 /nfs/dbraw/zinc/56/50/11/1053565011.db2.gz PQMDASDCKAMAAE-UHFFFAOYSA-N 1 0 330.516 4.171 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000865701111 1053577199 /nfs/dbraw/zinc/57/71/99/1053577199.db2.gz APPNRINXEKFSLP-LLVKDONJSA-N 1 0 334.485 4.314 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC000865822826 1053599518 /nfs/dbraw/zinc/59/95/18/1053599518.db2.gz OJURNNNUMBGFDC-HXUWFJFHSA-N 1 0 346.421 4.104 20 10 EICDRO CC(C)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853089678 1053643125 /nfs/dbraw/zinc/64/31/25/1053643125.db2.gz WMPQRPLGSYSTCZ-UHFFFAOYSA-N 1 0 338.495 4.061 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000853239704 1053655330 /nfs/dbraw/zinc/65/53/30/1053655330.db2.gz CCWJUNJIZSPQML-QGZVFWFLSA-N 1 0 337.389 4.407 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240308 1053655875 /nfs/dbraw/zinc/65/58/75/1053655875.db2.gz OSPZUWUCLMNJKX-YJBOKZPZSA-N 1 0 336.907 4.208 20 10 EICDRO CCn1nccc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000853239341 1053656015 /nfs/dbraw/zinc/65/60/15/1053656015.db2.gz FVMAWGUJHFJSBV-FQEVSTJZSA-N 1 0 335.451 4.072 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240518 1053658031 /nfs/dbraw/zinc/65/80/31/1053658031.db2.gz HNPRCAABKFDQTD-YJBOKZPZSA-N 1 0 333.435 4.224 20 10 EICDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](CC(F)(F)F)O1 ZINC000853614423 1053688266 /nfs/dbraw/zinc/68/82/66/1053688266.db2.gz LLAJGAAIPRCODQ-JSGCOSHPSA-N 1 0 339.357 4.087 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000775720573 1053693883 /nfs/dbraw/zinc/69/38/83/1053693883.db2.gz MHUJGFMPHFESHV-QGZVFWFLSA-N 1 0 345.870 4.393 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)CCO2 ZINC000825548878 1053751619 /nfs/dbraw/zinc/75/16/19/1053751619.db2.gz IYHIMFVQDSJSDY-QGZVFWFLSA-N 1 0 347.842 4.366 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(C)cc1O ZINC000866569220 1053791120 /nfs/dbraw/zinc/79/11/20/1053791120.db2.gz OMQXTXVAHPICHK-HNNXBMFYSA-N 1 0 335.245 4.099 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612314 1053804685 /nfs/dbraw/zinc/80/46/85/1053804685.db2.gz GSCHFNFQVMYGHQ-IAGOWNOFSA-N 1 0 326.488 4.212 20 10 EICDRO CCCC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765643505 1053831115 /nfs/dbraw/zinc/83/11/15/1053831115.db2.gz HIZIIBCDYLGBER-AWEZNQCLSA-N 1 0 326.431 4.425 20 10 EICDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000765659403 1053832046 /nfs/dbraw/zinc/83/20/46/1053832046.db2.gz LVVWGNZHZOYZLL-MRXNPFEDSA-N 1 0 340.515 4.361 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC000765664037 1053836393 /nfs/dbraw/zinc/83/63/93/1053836393.db2.gz YDAUGDSRMRZFRH-RXVVDRJESA-N 1 0 325.452 4.450 20 10 EICDRO Cc1cc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)ccc1N1CCCCC1 ZINC001197116818 1053840686 /nfs/dbraw/zinc/84/06/86/1053840686.db2.gz TYCVVKDTFIOREL-FQEVSTJZSA-N 1 0 330.516 4.423 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868089980 1053871924 /nfs/dbraw/zinc/87/19/24/1053871924.db2.gz ARSPRZSVJKFYGJ-RBUKOAKNSA-N 1 0 349.438 4.460 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000113337515 1053924030 /nfs/dbraw/zinc/92/40/30/1053924030.db2.gz NWLSDZHFOGHWAM-INIZCTEOSA-N 1 0 332.241 4.240 20 10 EICDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCC2 ZINC000122731100 1054028483 /nfs/dbraw/zinc/02/84/83/1054028483.db2.gz QEIBZFXJCOBNIP-MRXNPFEDSA-N 1 0 329.513 4.247 20 10 EICDRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834288 1054122180 /nfs/dbraw/zinc/12/21/80/1054122180.db2.gz QEZJAMAULSOTSG-ZDUSSCGKSA-N 1 0 346.858 4.043 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000872129454 1054404116 /nfs/dbraw/zinc/40/41/16/1054404116.db2.gz BVQWDUVERQLWPK-GHMZBOCLSA-N 1 0 340.345 4.226 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC001199403606 1054406895 /nfs/dbraw/zinc/40/68/95/1054406895.db2.gz WOMVIKFOBVDBRA-HNNXBMFYSA-N 1 0 343.540 4.404 20 10 EICDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000858100809 1054416849 /nfs/dbraw/zinc/41/68/49/1054416849.db2.gz NOUFQTSUBUHMEV-PWSUYJOCSA-N 1 0 336.229 4.161 20 10 EICDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006429 1054426588 /nfs/dbraw/zinc/42/65/88/1054426588.db2.gz JHXUIFZRYVEBBA-WMLDXEAASA-N 1 0 344.421 4.295 20 10 EICDRO Cc1cnn(CC[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000776004667 1054439308 /nfs/dbraw/zinc/43/93/08/1054439308.db2.gz UNXRDJCBHONPQN-GOSISDBHSA-N 1 0 335.451 4.161 20 10 EICDRO C[C@H](c1ccccc1)[N@H+](CCOCC1CC1)Cc1ccccc1O ZINC000776008532 1054442589 /nfs/dbraw/zinc/44/25/89/1054442589.db2.gz HIOQKKXUNSUGJN-QGZVFWFLSA-N 1 0 325.452 4.382 20 10 EICDRO Cc1cnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000776009349 1054442728 /nfs/dbraw/zinc/44/27/28/1054442728.db2.gz JDKPBBHOWBOWOD-QGZVFWFLSA-N 1 0 333.435 4.254 20 10 EICDRO COc1cc(Cl)c(C[NH2+]Cc2cc(C)ccc2O)cc1Cl ZINC000858237806 1054443322 /nfs/dbraw/zinc/44/33/22/1054443322.db2.gz QEGRQCSIXPTSTB-UHFFFAOYSA-N 1 0 326.223 4.306 20 10 EICDRO Cc1cccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(C)C)c1 ZINC000858287224 1054453310 /nfs/dbraw/zinc/45/33/10/1054453310.db2.gz OPVLIPPFKHMDGE-JOCHJYFZSA-N 1 0 338.495 4.319 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1F ZINC000858329600 1054465861 /nfs/dbraw/zinc/46/58/61/1054465861.db2.gz BMVJTCXYGMSZRC-UHFFFAOYSA-N 1 0 340.364 4.286 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c(O)c1 ZINC000858330393 1054466466 /nfs/dbraw/zinc/46/64/66/1054466466.db2.gz SPRUDLCWABEWGO-UHFFFAOYSA-N 1 0 339.357 4.186 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000873131815 1054491031 /nfs/dbraw/zinc/49/10/31/1054491031.db2.gz WGEDQNXFDQBBGS-TZIWHRDSSA-N 1 0 340.467 4.189 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c1O ZINC000776032694 1054491394 /nfs/dbraw/zinc/49/13/94/1054491394.db2.gz ZUCLCXWMIGYHCJ-IBGZPJMESA-N 1 0 345.389 4.422 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 ZINC001199924600 1054498244 /nfs/dbraw/zinc/49/82/44/1054498244.db2.gz IHEXYKPCRQUMHR-IBGZPJMESA-N 1 0 349.522 4.218 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490529 1054499416 /nfs/dbraw/zinc/49/94/16/1054499416.db2.gz JUZDEMCKRHVVGQ-RYUDHWBXSA-N 1 0 331.287 4.082 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2c(C)[nH]c3ccc(F)cc32)c1O ZINC000858526348 1054507329 /nfs/dbraw/zinc/50/73/29/1054507329.db2.gz ZJNRCVBAMMTFGD-GFCCVEGCSA-N 1 0 342.414 4.223 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC001201424806 1054796225 /nfs/dbraw/zinc/79/62/25/1054796225.db2.gz DDRJFQKUIHZZCK-UHFFFAOYSA-N 1 0 341.194 4.205 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)c1O ZINC000125449636 1054797603 /nfs/dbraw/zinc/79/76/03/1054797603.db2.gz VWBRQPGOHHOCDU-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO COc1ccc2oc(C[NH2+]CCCSc3nccs3)cc2c1 ZINC000125684579 1054839411 /nfs/dbraw/zinc/83/94/11/1054839411.db2.gz QFXRQBJXILJSSL-UHFFFAOYSA-N 1 0 334.466 4.170 20 10 EICDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C/C=C/c1ccccc1 ZINC001201695611 1054879925 /nfs/dbraw/zinc/87/99/25/1054879925.db2.gz ZXPFEHBTQDOFFT-QPJJXVBHSA-N 1 0 336.204 4.097 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1F ZINC001201735727 1054906292 /nfs/dbraw/zinc/90/62/92/1054906292.db2.gz WFEZSUMAUGZTNR-KRWDZBQOSA-N 1 0 332.394 4.034 20 10 EICDRO CN(C)c1ccc(CNc2cccc(CC[N@H+](C)C3CC3)c2)cc1F ZINC001201735955 1054906558 /nfs/dbraw/zinc/90/65/58/1054906558.db2.gz ZGJBNFVXBRGEDS-UHFFFAOYSA-N 1 0 341.474 4.141 20 10 EICDRO COCCCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825882329 1054926080 /nfs/dbraw/zinc/92/60/80/1054926080.db2.gz IHKITXMLLNXFOA-UHFFFAOYSA-N 1 0 349.858 4.059 20 10 EICDRO Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c(O)c1 ZINC000876621190 1054940767 /nfs/dbraw/zinc/94/07/67/1054940767.db2.gz XTIHEHGBJOKDSF-UHFFFAOYSA-N 1 0 345.389 4.074 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1 ZINC001201954332 1054964560 /nfs/dbraw/zinc/96/45/60/1054964560.db2.gz MEPCWJLLKJOPDP-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000877114346 1055021900 /nfs/dbraw/zinc/02/19/00/1055021900.db2.gz ZNBIZBDWOYDZDT-UHFFFAOYSA-N 1 0 339.357 4.069 20 10 EICDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234113 1055033703 /nfs/dbraw/zinc/03/37/03/1055033703.db2.gz HHHZPKWBHNCZTC-GOSISDBHSA-N 1 0 338.451 4.211 20 10 EICDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C)c1O ZINC000776253953 1055059211 /nfs/dbraw/zinc/05/92/11/1055059211.db2.gz YJFXAHKWPZPQRE-GOSISDBHSA-N 1 0 334.847 4.086 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CC[P@](C)(=O)OCC ZINC000877479211 1055061850 /nfs/dbraw/zinc/06/18/50/1055061850.db2.gz UNYYEFGTKCQUAU-OYHNWAKOSA-N 1 0 326.421 4.085 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)CCc2cncc3ccccc32)c1O ZINC000877526135 1055071569 /nfs/dbraw/zinc/07/15/69/1055071569.db2.gz PXWRFSBKMPWAPZ-OAHLLOKOSA-N 1 0 336.435 4.060 20 10 EICDRO [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877589259 1055086093 /nfs/dbraw/zinc/08/60/93/1055086093.db2.gz KQDNQYGZKJWWEA-IBGZPJMESA-N 1 0 345.389 4.024 20 10 EICDRO CC(C)[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC001202212566 1055089695 /nfs/dbraw/zinc/08/96/95/1055089695.db2.gz GUEIXRCLMHVNKF-CSUCKJSKSA-N 1 0 338.495 4.114 20 10 EICDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001202251794 1055097429 /nfs/dbraw/zinc/09/74/29/1055097429.db2.gz SUROJCPLUSOGHW-JKSUJKDBSA-N 1 0 331.460 4.111 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c1O ZINC000877806033 1055121970 /nfs/dbraw/zinc/12/19/70/1055121970.db2.gz COTMKMLPBROJKQ-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000877827661 1055129772 /nfs/dbraw/zinc/12/97/72/1055129772.db2.gz IDHPTIPJSFUBQE-CYBMUJFWSA-N 1 0 337.389 4.326 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000780746004 1055211179 /nfs/dbraw/zinc/21/11/79/1055211179.db2.gz KXHNMYIJSOUPBV-XYJFISCASA-N 1 0 334.479 4.282 20 10 EICDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)C1 ZINC000878326272 1055247155 /nfs/dbraw/zinc/24/71/55/1055247155.db2.gz QQIVTVOIZSJJMB-HLIPFELVSA-N 1 0 325.452 4.380 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(N(C)C)cc1 ZINC000131571785 1055434325 /nfs/dbraw/zinc/43/43/25/1055434325.db2.gz VTVIBJUXXIUWED-SFHVURJKSA-N 1 0 342.874 4.295 20 10 EICDRO COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)CCO2)cc1 ZINC001168619694 1055592213 /nfs/dbraw/zinc/59/22/13/1055592213.db2.gz ZTTFKSULPXDWST-RXVVDRJESA-N 1 0 341.451 4.022 20 10 EICDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1O ZINC000186439605 1055840096 /nfs/dbraw/zinc/84/00/96/1055840096.db2.gz XHZFQQDTIHNXBT-HNNXBMFYSA-N 1 0 339.357 4.227 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2N(C)CC)cc1 ZINC000765847378 1055866885 /nfs/dbraw/zinc/86/68/85/1055866885.db2.gz CATTWBMQRDAZTL-KRWDZBQOSA-N 1 0 325.500 4.450 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2)CC1 ZINC000921718999 1056139782 /nfs/dbraw/zinc/13/97/82/1056139782.db2.gz WHACPQCEIIJGEW-UHFFFAOYSA-N 1 0 338.499 4.134 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000741256485 1058184111 /nfs/dbraw/zinc/18/41/11/1058184111.db2.gz NQRZMRGQGMGJQU-VAMGGRTRSA-N 1 0 330.516 4.216 20 10 EICDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000742157617 1058536961 /nfs/dbraw/zinc/53/69/61/1058536961.db2.gz UFKNJICGJOLBKX-KRWDZBQOSA-N 1 0 325.408 4.157 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162877 1058537138 /nfs/dbraw/zinc/53/71/38/1058537138.db2.gz ODKZCDPDQCJIDQ-MGPUTAFESA-N 1 0 329.415 4.110 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162876 1058538723 /nfs/dbraw/zinc/53/87/23/1058538723.db2.gz ODKZCDPDQCJIDQ-FOIQADDNSA-N 1 0 329.415 4.110 20 10 EICDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000742388166 1058587210 /nfs/dbraw/zinc/58/72/10/1058587210.db2.gz MHFPHQWTEYIRDQ-UHFFFAOYSA-N 1 0 327.852 4.037 20 10 EICDRO Cc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742384950 1058588585 /nfs/dbraw/zinc/58/85/85/1058588585.db2.gz NOHBZEMTUVZMHX-KRWDZBQOSA-N 1 0 346.421 4.355 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)CCc2ccc(C)o2)ccc1OC ZINC000742380215 1058604317 /nfs/dbraw/zinc/60/43/17/1058604317.db2.gz MGEDPOSSRXJJRA-OAHLLOKOSA-N 1 0 331.456 4.244 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CC(C)(C)CCO)c(O)c(C(C)(C)C)c1 ZINC000742710060 1058720310 /nfs/dbraw/zinc/72/03/10/1058720310.db2.gz DYRRKJDSSHFBES-UHFFFAOYSA-N 1 0 335.532 4.485 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@H](C(C)C)C3)c2c1 ZINC000743396355 1058974836 /nfs/dbraw/zinc/97/48/36/1058974836.db2.gz RCWWJDWAZRFICQ-IBGZPJMESA-N 1 0 331.481 4.127 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000744449398 1059528257 /nfs/dbraw/zinc/52/82/57/1059528257.db2.gz VSZDVVQEVCOVIM-GTNSWQLSSA-N 1 0 340.250 4.219 20 10 EICDRO Oc1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CCCC1)OCO2 ZINC000746065468 1060009968 /nfs/dbraw/zinc/00/99/68/1060009968.db2.gz WNFCQUHGDYXZOR-UHFFFAOYSA-N 1 0 343.398 4.205 20 10 EICDRO CC[C@H]([NH2+]Cc1nc(C)cs1)c1cc(Br)ccc1O ZINC000038090666 202098898 /nfs/dbraw/zinc/09/88/98/202098898.db2.gz ZLJCIUMCCQYYKN-LBPRGKRZSA-N 1 0 341.274 4.161 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1O ZINC000038018537 202388026 /nfs/dbraw/zinc/38/80/26/202388026.db2.gz WKUYMHFLSGJMIU-GFCCVEGCSA-N 1 0 326.259 4.457 20 10 EICDRO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@H](C)c3ccccc3O)cc2F)c1 ZINC000359998247 201124147 /nfs/dbraw/zinc/12/41/47/201124147.db2.gz WQCANTISKVZIHK-HUUCEWRRSA-N 1 0 339.414 4.437 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cccnc1)c1cc(Br)ccc1O ZINC000020127694 522741889 /nfs/dbraw/zinc/74/18/89/522741889.db2.gz WXKMKJBXRNXUFK-ABAIWWIYSA-N 1 0 335.245 4.352 20 10 EICDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681941 1032130769 /nfs/dbraw/zinc/13/07/69/1032130769.db2.gz BQBQAOQTSZGTCB-INIZCTEOSA-N 1 0 333.431 4.486 20 10 EICDRO CCOc1ccccc1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000729685360 1032161534 /nfs/dbraw/zinc/16/15/34/1032161534.db2.gz MIIIJEJHUDEPFE-UHFFFAOYSA-N 1 0 338.495 4.408 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000160206251 1018848108 /nfs/dbraw/zinc/84/81/08/1018848108.db2.gz HUQCRTFPDYIIKV-SFHVURJKSA-N 1 0 336.435 4.055 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000382435579 1019274750 /nfs/dbraw/zinc/27/47/50/1019274750.db2.gz VNCVOOCFSMGMES-UXLLHSPISA-N 1 0 348.487 4.126 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c1O ZINC000175752541 1019416308 /nfs/dbraw/zinc/41/63/08/1019416308.db2.gz YFCVJIMBNUOKBA-NSHDSACASA-N 1 0 341.329 4.150 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)c(O)c1OC ZINC000893718079 1032840835 /nfs/dbraw/zinc/84/08/35/1032840835.db2.gz YVKIQDBFZPKPOV-GOSISDBHSA-N 1 0 341.451 4.310 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000274812006 1019746828 /nfs/dbraw/zinc/74/68/28/1019746828.db2.gz YABCUBOGCWIOAR-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000155194874 1020336874 /nfs/dbraw/zinc/33/68/74/1020336874.db2.gz YCYYUSJREFYLOG-DNVCBOLYSA-N 1 0 340.467 4.161 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000155333611 1020496300 /nfs/dbraw/zinc/49/63/00/1020496300.db2.gz OTPGFCZZXGXNPT-DNVCBOLYSA-N 1 0 342.508 4.313 20 10 EICDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000178036516 1021872960 /nfs/dbraw/zinc/87/29/60/1021872960.db2.gz PJTNHLKKTJSBAW-HZPDHXFCSA-N 1 0 342.483 4.490 20 10 EICDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000178036503 1021873563 /nfs/dbraw/zinc/87/35/63/1021873563.db2.gz PJTNHLKKTJSBAW-HOTGVXAUSA-N 1 0 342.483 4.490 20 10 EICDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(OC(F)(F)F)c1 ZINC001143471580 1022631199 /nfs/dbraw/zinc/63/11/99/1022631199.db2.gz JOWBHVLHIZMBPR-UHFFFAOYSA-N 1 0 337.341 4.158 20 10 EICDRO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855910 1022858358 /nfs/dbraw/zinc/85/83/58/1022858358.db2.gz OALJQSUMQMEYRY-BFUOFWGJSA-N 1 0 341.842 4.219 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc2ccccc2c1O ZINC000185162686 1023016229 /nfs/dbraw/zinc/01/62/29/1023016229.db2.gz YJSKLTANIOVMED-BFUOFWGJSA-N 1 0 325.383 4.069 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1F ZINC000185406108 1023041123 /nfs/dbraw/zinc/04/11/23/1023041123.db2.gz HIIJRQKJYXNOOZ-CQSZACIVSA-N 1 0 346.446 4.237 20 10 EICDRO c1ccc2c(c1)CO[C@@]21CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000186454649 1023130558 /nfs/dbraw/zinc/13/05/58/1023130558.db2.gz ORISGFZUPIEHBI-HSZRJFAPSA-N 1 0 348.490 4.308 20 10 EICDRO Cn1cncc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000290020558 1023141608 /nfs/dbraw/zinc/14/16/08/1023141608.db2.gz ZLBSBMQFTJIPCY-UHFFFAOYSA-N 1 0 329.488 4.011 20 10 EICDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834844149 1023148492 /nfs/dbraw/zinc/14/84/92/1023148492.db2.gz NKRLUYGYSXEHGM-MWLCHTKSSA-N 1 0 325.758 4.054 20 10 EICDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000834904457 1023372015 /nfs/dbraw/zinc/37/20/15/1023372015.db2.gz YNDCADUSEBPTTH-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000707143487 1023491489 /nfs/dbraw/zinc/49/14/89/1023491489.db2.gz UDFMZISQOCFWIN-CQSZACIVSA-N 1 0 332.241 4.144 20 10 EICDRO C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992629 1023498052 /nfs/dbraw/zinc/49/80/52/1023498052.db2.gz IAMQMNPBVICZFM-IERDGZPVSA-N 1 0 342.458 4.094 20 10 EICDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000123781389 1023659449 /nfs/dbraw/zinc/65/94/49/1023659449.db2.gz IJBBNZDJHCOJLV-LJQANCHMSA-N 1 0 349.833 4.130 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cn1 ZINC000092747650 1023669049 /nfs/dbraw/zinc/66/90/49/1023669049.db2.gz JMYBFQARAGCQOY-INIZCTEOSA-N 1 0 327.447 4.308 20 10 EICDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)c(O)c1OC ZINC000893042579 1023708377 /nfs/dbraw/zinc/70/83/77/1023708377.db2.gz VFPKLDGDQUSGOH-UHFFFAOYSA-N 1 0 335.831 4.088 20 10 EICDRO CSC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCC1 ZINC000193804437 1023726673 /nfs/dbraw/zinc/72/66/73/1023726673.db2.gz QFDIEHHZVVPXMH-SNVBAGLBSA-N 1 0 330.291 4.091 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377773200 1023753616 /nfs/dbraw/zinc/75/36/16/1023753616.db2.gz GIDLMGJQHOMIIZ-IBGZPJMESA-N 1 0 343.854 4.229 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377773203 1023754089 /nfs/dbraw/zinc/75/40/89/1023754089.db2.gz GIDLMGJQHOMIIZ-LJQANCHMSA-N 1 0 343.854 4.229 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(c2nc(CC)no2)CC1 ZINC000194978328 1023797938 /nfs/dbraw/zinc/79/79/38/1023797938.db2.gz HMIQOEWFVJLOQZ-UHFFFAOYSA-N 1 0 342.487 4.034 20 10 EICDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255368767 1023803043 /nfs/dbraw/zinc/80/30/43/1023803043.db2.gz KKVUYYFFWNEMCT-UHFFFAOYSA-N 1 0 325.416 4.127 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)CCCS2 ZINC000187705778 1023902896 /nfs/dbraw/zinc/90/28/96/1023902896.db2.gz JPDLYULZDAZDOE-IBGZPJMESA-N 1 0 342.508 4.478 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1cc(OC(F)(F)F)ccc1F ZINC001143544572 1033174620 /nfs/dbraw/zinc/17/46/20/1033174620.db2.gz GLHXBBRSWODRNL-UHFFFAOYSA-N 1 0 329.293 4.062 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1O ZINC000756738139 1024261643 /nfs/dbraw/zinc/26/16/43/1024261643.db2.gz JOAFUYONVJEONN-VFZGTOFNSA-N 1 0 344.213 4.222 20 10 EICDRO CC[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000156684236 1025449975 /nfs/dbraw/zinc/44/99/75/1025449975.db2.gz KCBHXWMVEPJLIO-AWEZNQCLSA-N 1 0 325.330 4.374 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(O)c1OC ZINC000892045537 1025492540 /nfs/dbraw/zinc/49/25/40/1025492540.db2.gz GJYQGKBVINYSKJ-INIZCTEOSA-N 1 0 349.377 4.025 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)cc(F)c1OC ZINC001143568207 1025970386 /nfs/dbraw/zinc/97/03/86/1025970386.db2.gz OWWNHYVRKXDEAI-UHFFFAOYSA-N 1 0 334.410 4.062 20 10 EICDRO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663497 1026001140 /nfs/dbraw/zinc/00/11/40/1026001140.db2.gz JTGXJUNPYAHHRT-FPOVZHCZSA-N 1 0 335.451 4.264 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000157824905 1026064713 /nfs/dbraw/zinc/06/47/13/1026064713.db2.gz PBOKFOBNRXRXIP-FPDPHYFHSA-N 1 0 346.490 4.424 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)c(O)c1OC ZINC000894658156 1026287250 /nfs/dbraw/zinc/28/72/50/1026287250.db2.gz RFFSGBMMKAABSI-ZDUSSCGKSA-N 1 0 327.424 4.138 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1C ZINC000107895696 1026595285 /nfs/dbraw/zinc/59/52/85/1026595285.db2.gz SPEYLOVAILIXRB-UHFFFAOYSA-N 1 0 345.870 4.458 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000161267531 1026611600 /nfs/dbraw/zinc/61/16/00/1026611600.db2.gz CJEQWBQRWSSPNT-INIZCTEOSA-N 1 0 327.447 4.370 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000158876032 1026695508 /nfs/dbraw/zinc/69/55/08/1026695508.db2.gz JFGSIAGTVAVILL-MRXNPFEDSA-N 1 0 339.483 4.342 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000164493266 1028056580 /nfs/dbraw/zinc/05/65/80/1028056580.db2.gz BASGWCPGKXAATC-KRWDZBQOSA-N 1 0 342.458 4.130 20 10 EICDRO COc1ccc(O)c(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000021513283 1028450789 /nfs/dbraw/zinc/45/07/89/1028450789.db2.gz IOSSCBMJJBGDTI-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000021968737 1029027528 /nfs/dbraw/zinc/02/75/28/1029027528.db2.gz QCYGVQTZWBKBTA-HXUWFJFHSA-N 1 0 334.419 4.286 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000475196345 1029416813 /nfs/dbraw/zinc/41/68/13/1029416813.db2.gz JJMBPIXWHCGEBO-UHFFFAOYSA-N 1 0 338.842 4.078 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c1 ZINC000186105125 1030249158 /nfs/dbraw/zinc/24/91/58/1030249158.db2.gz JOWUBWKLBOCXQZ-CYBMUJFWSA-N 1 0 325.437 4.070 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000186192302 1030257267 /nfs/dbraw/zinc/25/72/67/1030257267.db2.gz LFXLMEVKAKQBJN-GJZGRUSLSA-N 1 0 337.423 4.205 20 10 EICDRO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1ccccc1O ZINC000186907980 1030311221 /nfs/dbraw/zinc/31/12/21/1030311221.db2.gz KUOWRGFBGLPYIG-UHFFFAOYSA-N 1 0 334.419 4.095 20 10 EICDRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1O ZINC000527929646 1030970029 /nfs/dbraw/zinc/97/00/29/1030970029.db2.gz DVGYGZZZBFLVEC-LRDDRELGSA-N 1 0 349.356 4.196 20 10 EICDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000740898141 1031373685 /nfs/dbraw/zinc/37/36/85/1031373685.db2.gz FCYFPYACEUVETQ-LSDHHAIUSA-N 1 0 335.532 4.484 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1O ZINC000280182487 1035197347 /nfs/dbraw/zinc/19/73/47/1035197347.db2.gz RSDRYKVIYCNANA-WBVHZDCISA-N 1 0 335.513 4.186 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccc(N(C)C)cc1 ZINC000151205295 1035579133 /nfs/dbraw/zinc/57/91/33/1035579133.db2.gz QNDIJABANMVCGA-HXUWFJFHSA-N 1 0 330.447 4.279 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)ccc1OC ZINC000168817558 1035741383 /nfs/dbraw/zinc/74/13/83/1035741383.db2.gz JMYSWLQTYLSIHS-IBGZPJMESA-N 1 0 342.483 4.401 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N2CCCCC2)cc1 ZINC000165702569 1036904581 /nfs/dbraw/zinc/90/45/81/1036904581.db2.gz WBXGUORNEBBXIY-CRAIPNDOSA-N 1 0 336.570 4.176 20 10 EICDRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163575888 1036947342 /nfs/dbraw/zinc/94/73/42/1036947342.db2.gz ZRNXZOVTSCJNIR-HXUWFJFHSA-N 1 0 342.483 4.156 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000165961101 1037030190 /nfs/dbraw/zinc/03/01/90/1037030190.db2.gz LFIBPXRNZAGHSW-SFHVURJKSA-N 1 0 328.456 4.011 20 10 EICDRO COc1cccc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110282 1037065895 /nfs/dbraw/zinc/06/58/95/1037065895.db2.gz VIYPCEKOKIVBRU-QFIPXVFZSA-N 1 0 349.430 4.128 20 10 EICDRO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000273361036 1037435699 /nfs/dbraw/zinc/43/56/99/1037435699.db2.gz AHUTTXYBRLHBTN-MRVPVSSYSA-N 1 0 341.274 4.079 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(O)c1 ZINC000273385081 1037445194 /nfs/dbraw/zinc/44/51/94/1037445194.db2.gz JIXPJWAGKXSEHM-INIZCTEOSA-N 1 0 347.462 4.226 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(O)c1C ZINC000273393045 1037450577 /nfs/dbraw/zinc/45/05/77/1037450577.db2.gz LDGFVJJUSXSMQN-QGZVFWFLSA-N 1 0 335.451 4.105 20 10 EICDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc(OC)c1OC ZINC000273437485 1037462672 /nfs/dbraw/zinc/46/26/72/1037462672.db2.gz XKXVQBMBHRHOJR-KBPBESRZSA-N 1 0 345.439 4.138 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000273488049 1037480111 /nfs/dbraw/zinc/48/01/11/1037480111.db2.gz MTKGJUYFKFBMGO-XLIONFOSSA-N 1 0 346.421 4.041 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1C ZINC000273490612 1037480283 /nfs/dbraw/zinc/48/02/83/1037480283.db2.gz OFMVWGAZCPXPQY-CVEARBPZSA-N 1 0 335.513 4.104 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1F ZINC000273488045 1037481229 /nfs/dbraw/zinc/48/12/29/1037481229.db2.gz MTKGJUYFKFBMGO-PXNSSMCTSA-N 1 0 346.421 4.041 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000273516827 1037489640 /nfs/dbraw/zinc/48/96/40/1037489640.db2.gz SRWUVYRTBXTLMR-DRONIGIMSA-N 1 0 337.872 4.195 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1nnc2n1CCCCC2 ZINC000273579592 1037510912 /nfs/dbraw/zinc/51/09/12/1037510912.db2.gz MJNGSDKRLPQLBU-DOTOQJQBSA-N 1 0 342.487 4.129 20 10 EICDRO CC[C@H]([NH2+]Cc1ccsc1)c1cc(Br)ccc1O ZINC000063152086 1038035326 /nfs/dbraw/zinc/03/53/26/1038035326.db2.gz WVHUYTPZZONJPH-ZDUSSCGKSA-N 1 0 326.259 4.457 20 10 EICDRO c1ccc(COc2ccc(N3CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)cc2)cc1 ZINC001167959603 1040540709 /nfs/dbraw/zinc/54/07/09/1040540709.db2.gz RGSUBDOSTFECSN-XVAYZXCPSA-N 1 0 348.490 4.186 20 10 EICDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537454 1040669878 /nfs/dbraw/zinc/66/98/78/1040669878.db2.gz DBXYQBKXPAXAMM-BEFAXECRSA-N 1 0 336.495 4.091 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000151940673 1042551452 /nfs/dbraw/zinc/55/14/52/1042551452.db2.gz JLNOPKPWHTWCFT-CVEARBPZSA-N 1 0 330.497 4.305 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000766031021 1043076449 /nfs/dbraw/zinc/07/64/49/1043076449.db2.gz YSPMYQCLVNLGIX-FQEVSTJZSA-N 1 0 326.509 4.181 20 10 EICDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765954882 1043092602 /nfs/dbraw/zinc/09/26/02/1043092602.db2.gz QZXOSOLIRZCSBK-PGRDOPGGSA-N 1 0 338.495 4.370 20 10 EICDRO CCCC[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000282476216 1043205764 /nfs/dbraw/zinc/20/57/64/1043205764.db2.gz OHVLBGSPWVDWJR-UHFFFAOYSA-N 1 0 337.423 4.245 20 10 EICDRO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000727644356 1043255376 /nfs/dbraw/zinc/25/53/76/1043255376.db2.gz BNCAKIOERRKCTC-NHCUHLMSSA-N 1 0 329.532 4.029 20 10 EICDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(Br)cc1O ZINC001168465683 1043574640 /nfs/dbraw/zinc/57/46/40/1043574640.db2.gz VBFUQEMEHWSPTD-LLVKDONJSA-N 1 0 338.220 4.015 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000731041486 1043682213 /nfs/dbraw/zinc/68/22/13/1043682213.db2.gz BQRDGRONXOWQKX-UHFFFAOYSA-N 1 0 339.483 4.040 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000113317034 1043721630 /nfs/dbraw/zinc/72/16/30/1043721630.db2.gz ARHZCYPYSMKOCP-UHFFFAOYSA-N 1 0 345.748 4.277 20 10 EICDRO CCOCc1cc(C[NH2+]C2CC(c3ccccc3)C2)ccc1OC ZINC000731451093 1043761286 /nfs/dbraw/zinc/76/12/86/1043761286.db2.gz LHIRBQLKCKSXKJ-UHFFFAOYSA-N 1 0 325.452 4.268 20 10 EICDRO Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847154 1043834389 /nfs/dbraw/zinc/83/43/89/1043834389.db2.gz FRNWFYAMWWGDHF-UHFFFAOYSA-N 1 0 338.451 4.084 20 10 EICDRO CC(C)(C)c1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731847305 1043834927 /nfs/dbraw/zinc/83/49/27/1043834927.db2.gz IMBZSJIIWPYREU-UHFFFAOYSA-N 1 0 329.444 4.018 20 10 EICDRO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccccc1O ZINC000731843406 1043835809 /nfs/dbraw/zinc/83/58/09/1043835809.db2.gz CYMXAEKXMDQQIL-UHFFFAOYSA-N 1 0 343.430 4.339 20 10 EICDRO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccccc1O ZINC000731842832 1043835846 /nfs/dbraw/zinc/83/58/46/1043835846.db2.gz IOGHSLNPRADREP-OAHLLOKOSA-N 1 0 340.467 4.149 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000732202030 1043886235 /nfs/dbraw/zinc/88/62/35/1043886235.db2.gz DYNHJIOAUIXPNH-GOSISDBHSA-N 1 0 325.452 4.469 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000732204318 1043888096 /nfs/dbraw/zinc/88/80/96/1043888096.db2.gz INWMPPVWPOIQSZ-UHFFFAOYSA-N 1 0 339.435 4.108 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205722 1043888210 /nfs/dbraw/zinc/88/82/10/1043888210.db2.gz YFWOAWOPDILJAP-LJQANCHMSA-N 1 0 347.405 4.149 20 10 EICDRO CCC(CC)(CNC(=O)C1=CC(=O)CS1)[NH2+][C@H](C)c1ccccc1 ZINC000732294606 1043896802 /nfs/dbraw/zinc/89/68/02/1043896802.db2.gz XOADXOZPSTUIGA-CQSZACIVSA-N 1 0 346.496 4.093 20 10 EICDRO Cc1cnn(CCCCC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000732408587 1043919817 /nfs/dbraw/zinc/91/98/17/1043919817.db2.gz PXWZJCWALPEYCI-UHFFFAOYSA-N 1 0 342.531 4.338 20 10 EICDRO CC[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)ccc1O ZINC000702486054 1043958742 /nfs/dbraw/zinc/95/87/42/1043958742.db2.gz BLHXTUOZGSMLNK-CYBMUJFWSA-N 1 0 330.241 4.478 20 10 EICDRO COCC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000732797672 1044008441 /nfs/dbraw/zinc/00/84/41/1044008441.db2.gz DTVAYZRLABQZNK-UHFFFAOYSA-N 1 0 325.408 4.150 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000732918539 1044032852 /nfs/dbraw/zinc/03/28/52/1044032852.db2.gz JXZHBYQEHBLQOX-HZPDHXFCSA-N 1 0 328.431 4.074 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]CC1(CCOCc3ccccc3)CC1)CC2 ZINC000702912075 1044038664 /nfs/dbraw/zinc/03/86/64/1044038664.db2.gz BFOZKHVUEWXKAT-LJQANCHMSA-N 1 0 337.463 4.356 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1 ZINC000733331858 1044200155 /nfs/dbraw/zinc/20/01/55/1044200155.db2.gz JXMJGDJZPKSMRL-IBGZPJMESA-N 1 0 340.467 4.155 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282632440 1044364028 /nfs/dbraw/zinc/36/40/28/1044364028.db2.gz JUPUBZBSLMIASF-HXUWFJFHSA-N 1 0 328.500 4.116 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(C(F)(F)F)nc1 ZINC000922328043 1044547298 /nfs/dbraw/zinc/54/72/98/1044547298.db2.gz NCBUGNQXTVXHBJ-GFCCVEGCSA-N 1 0 336.357 4.276 20 10 EICDRO C[NH+](C)CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000734849503 1044699610 /nfs/dbraw/zinc/69/96/10/1044699610.db2.gz IKVFXNUKROMECY-AWEZNQCLSA-N 1 0 333.303 4.155 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000735677978 1044854867 /nfs/dbraw/zinc/85/48/67/1044854867.db2.gz TXEPHTMDNDLPEC-AZUAARDMSA-N 1 0 332.532 4.464 20 10 EICDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000765998288 1044915212 /nfs/dbraw/zinc/91/52/12/1044915212.db2.gz KVZZZWXCILLFJY-AVRDEDQJSA-N 1 0 338.495 4.235 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000736590444 1044955872 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EICDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863693 1045232764 /nfs/dbraw/zinc/23/27/64/1045232764.db2.gz WSNNADLWYMOWKA-VQTJNVASSA-N 1 0 343.467 4.189 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000762486937 1045257146 /nfs/dbraw/zinc/25/71/46/1045257146.db2.gz RFLSLPRBTCFWLJ-PGRDOPGGSA-N 1 0 338.495 4.228 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000762614197 1045314276 /nfs/dbraw/zinc/31/42/76/1045314276.db2.gz KWVDDCULJUVZCS-SQNIBIBYSA-N 1 0 336.570 4.002 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000393374236 1045367773 /nfs/dbraw/zinc/36/77/73/1045367773.db2.gz RZWKJPODUIMMKG-GOSISDBHSA-N 1 0 333.815 4.261 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000236961258 1045372479 /nfs/dbraw/zinc/37/24/79/1045372479.db2.gz YBQVFGGQINHJPM-OAHLLOKOSA-N 1 0 329.440 4.429 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790617706 1045549829 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C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147174 1045879956 /nfs/dbraw/zinc/87/99/56/1045879956.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 1 0 336.907 4.132 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147183 1045880108 /nfs/dbraw/zinc/88/01/08/1045880108.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 1 0 336.907 4.132 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000769192800 1045885774 /nfs/dbraw/zinc/88/57/74/1045885774.db2.gz PGCZJRMQUPPYOJ-UHFFFAOYSA-N 1 0 348.487 4.254 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1Cl ZINC000769201071 1045893807 /nfs/dbraw/zinc/89/38/07/1045893807.db2.gz PWSVJTWCVQGXSI-UHFFFAOYSA-N 1 0 349.858 4.475 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1F ZINC000769218833 1045896034 /nfs/dbraw/zinc/89/60/34/1045896034.db2.gz SWNMWZSJNOYNGF-UHFFFAOYSA-N 1 0 334.479 4.205 20 10 EICDRO COc1cc([C@H](C)[NH2+]CCCSc2nccs2)ccc1F ZINC000153874372 1045940595 /nfs/dbraw/zinc/94/05/95/1045940595.db2.gz HEXLHKSGONLQOX-NSHDSACASA-N 1 0 326.462 4.124 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cn2cccc(F)c2n1)C1CCCC1 ZINC000769385328 1045944232 /nfs/dbraw/zinc/94/42/32/1045944232.db2.gz VXKUPRLFAUROQG-UHFFFAOYSA-N 1 0 339.414 4.124 20 10 EICDRO CC(C)(C)c1n[nH]cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384466 1045944413 /nfs/dbraw/zinc/94/44/13/1045944413.db2.gz OYHYDYGHKKQXOJ-UHFFFAOYSA-N 1 0 327.472 4.358 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000769428158 1045958252 /nfs/dbraw/zinc/95/82/52/1045958252.db2.gz MSLSTGRKGMHNPT-QGZVFWFLSA-N 1 0 333.378 4.406 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000769445440 1045973638 /nfs/dbraw/zinc/97/36/38/1045973638.db2.gz IIHICODUUIGSTK-UHFFFAOYSA-N 1 0 328.500 4.070 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC001170255039 1045974923 /nfs/dbraw/zinc/97/49/23/1045974923.db2.gz ZMGMMSFOONZLIU-UHFFFAOYSA-N 1 0 330.422 4.410 20 10 EICDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000769501760 1045996162 /nfs/dbraw/zinc/99/61/62/1045996162.db2.gz QCGPFJOYBQZGJK-UHFFFAOYSA-N 1 0 342.483 4.227 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000769532351 1046010424 /nfs/dbraw/zinc/01/04/24/1046010424.db2.gz JGCFFQSSUVKTLD-OAHLLOKOSA-N 1 0 342.508 4.416 20 10 EICDRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000769537544 1046012885 /nfs/dbraw/zinc/01/28/85/1046012885.db2.gz LVYRZOJIAFBWGT-MRXNPFEDSA-N 1 0 349.272 4.220 20 10 EICDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccccn3)cc2Cl)C1 ZINC000282054513 1046107599 /nfs/dbraw/zinc/10/75/99/1046107599.db2.gz PMUFIZZYZDDYFA-HNNXBMFYSA-N 1 0 329.875 4.261 20 10 EICDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792931303 1046110697 /nfs/dbraw/zinc/11/06/97/1046110697.db2.gz UOOVNOCGQLPJKN-LEWJYISDSA-N 1 0 344.543 4.200 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000769929268 1046113672 /nfs/dbraw/zinc/11/36/72/1046113672.db2.gz YAHUENKEAHXPSL-RXVVDRJESA-N 1 0 339.479 4.480 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000769929260 1046114964 /nfs/dbraw/zinc/11/49/64/1046114964.db2.gz YAHUENKEAHXPSL-GHTZIAJQSA-N 1 0 339.479 4.480 20 10 EICDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793037791 1046128539 /nfs/dbraw/zinc/12/85/39/1046128539.db2.gz LGIDSSLMXWEREX-PBHICJAKSA-N 1 0 344.421 4.065 20 10 EICDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793074945 1046135023 /nfs/dbraw/zinc/13/50/23/1046135023.db2.gz UWURTVYMQSRHEX-KBPBESRZSA-N 1 0 344.421 4.066 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nccs1 ZINC000793079607 1046135569 /nfs/dbraw/zinc/13/55/69/1046135569.db2.gz ZWFOMAZAKKTRAR-LLVKDONJSA-N 1 0 343.418 4.121 20 10 EICDRO COCCCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000793231766 1046178097 /nfs/dbraw/zinc/17/80/97/1046178097.db2.gz GHPPFQLUBYIQHJ-HXUWFJFHSA-N 1 0 325.452 4.269 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000770320650 1046178213 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EICDRO COCCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000793329568 1046209088 /nfs/dbraw/zinc/20/90/88/1046209088.db2.gz MVJCSUIGLYTJEX-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000770509998 1046211247 /nfs/dbraw/zinc/21/12/47/1046211247.db2.gz GAIJCJIPSNTYFH-UHFFFAOYSA-N 1 0 332.241 4.319 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c(O)c1 ZINC000793388534 1046232803 /nfs/dbraw/zinc/23/28/03/1046232803.db2.gz FRLVYXQVTMOYCP-LEWSCRJBSA-N 1 0 337.872 4.398 20 10 EICDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000793519691 1046264249 /nfs/dbraw/zinc/26/42/49/1046264249.db2.gz CFJUGSBPPWDFKG-HNNXBMFYSA-N 1 0 336.495 4.091 20 10 EICDRO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1O ZINC000793565872 1046293999 /nfs/dbraw/zinc/29/39/99/1046293999.db2.gz IYIZKIYTJDIUAN-CQSZACIVSA-N 1 0 341.842 4.141 20 10 EICDRO CC[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000793567676 1046295742 /nfs/dbraw/zinc/29/57/42/1046295742.db2.gz MIAKUWCSJYIWSC-QFIPXVFZSA-N 1 0 348.494 4.238 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc2ccccc2c1O ZINC000793574349 1046305785 /nfs/dbraw/zinc/30/57/85/1046305785.db2.gz RWWXLQQUEJBUFG-CQSZACIVSA-N 1 0 331.419 4.315 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000771382958 1046378131 /nfs/dbraw/zinc/37/81/31/1046378131.db2.gz IXNJOPHWLLQWNK-MRXNPFEDSA-N 1 0 341.524 4.102 20 10 EICDRO COc1ccc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000916847375 1046390652 /nfs/dbraw/zinc/39/06/52/1046390652.db2.gz DQTBMJXTDRHTQU-UHFFFAOYSA-N 1 0 346.858 4.166 20 10 EICDRO CSc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)ccn1 ZINC000771880318 1046508931 /nfs/dbraw/zinc/50/89/31/1046508931.db2.gz GMSHHJVQLFQFGZ-UHFFFAOYSA-N 1 0 336.460 4.466 20 10 EICDRO CCOc1cccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000771934902 1046528483 /nfs/dbraw/zinc/52/84/83/1046528483.db2.gz GVYFHHSJNIPEFN-UHFFFAOYSA-N 1 0 339.483 4.103 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000917074569 1046638433 /nfs/dbraw/zinc/63/84/33/1046638433.db2.gz AKMOVEKBPYWUIV-UHFFFAOYSA-N 1 0 348.494 4.349 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(N(C)C)cc1 ZINC000785510662 1046711206 /nfs/dbraw/zinc/71/12/06/1046711206.db2.gz ASLSDXQUYDSONI-CYBMUJFWSA-N 1 0 327.453 4.320 20 10 EICDRO COc1ccc(O)c(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000785988816 1046799249 /nfs/dbraw/zinc/79/92/49/1046799249.db2.gz OSWQASPXBHDTNF-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]Cc2cccc3cc[nH]c32)c1O ZINC000786578118 1046849917 /nfs/dbraw/zinc/84/99/17/1046849917.db2.gz HUMKUMASEOPJOA-UHFFFAOYSA-N 1 0 345.240 4.234 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1Br ZINC000786824879 1046871050 /nfs/dbraw/zinc/87/10/50/1046871050.db2.gz YUXISVDZWGWNOA-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cnn1C(C)(C)C ZINC000786913298 1046880167 /nfs/dbraw/zinc/88/01/67/1046880167.db2.gz XBAMCCGFHVUWDW-HNNXBMFYSA-N 1 0 328.504 4.172 20 10 EICDRO Cc1ccc(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000917488442 1046917223 /nfs/dbraw/zinc/91/72/23/1046917223.db2.gz OMWUMWNBDIZKMF-UHFFFAOYSA-N 1 0 349.474 4.284 20 10 EICDRO Oc1ccccc1C[N@H+](CCOCC(F)(F)C(F)F)C1CCCC1 ZINC000787247063 1046957457 /nfs/dbraw/zinc/95/74/57/1046957457.db2.gz RCMIJIFIXIBUSM-UHFFFAOYSA-N 1 0 349.368 4.054 20 10 EICDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787331805 1046982111 /nfs/dbraw/zinc/98/21/11/1046982111.db2.gz GTHIJRZEWUENRP-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138621 1047133767 /nfs/dbraw/zinc/13/37/67/1047133767.db2.gz YHRAHARHOBFTFT-INIZCTEOSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137738 1047135557 /nfs/dbraw/zinc/13/55/57/1047135557.db2.gz NIIDZRCEJCWYOP-INIZCTEOSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139952 1047135920 /nfs/dbraw/zinc/13/59/20/1047135920.db2.gz STOOYISFODZOOW-IAQYHMDHSA-N 1 0 331.287 4.082 20 10 EICDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000788259213 1047146869 /nfs/dbraw/zinc/14/68/69/1047146869.db2.gz LNUXNYGYHZWCFV-KXBFYZLASA-N 1 0 341.499 4.095 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131123 1047155674 /nfs/dbraw/zinc/15/56/74/1047155674.db2.gz GOGRYKFUGFLXFD-XHDPSFHLSA-N 1 0 331.287 4.082 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000806175145 1047160054 /nfs/dbraw/zinc/16/00/54/1047160054.db2.gz VUQGLNORIMOELC-PXAZEXFGSA-N 1 0 339.357 4.104 20 10 EICDRO CC(C)(C)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000324726907 1047193113 /nfs/dbraw/zinc/19/31/13/1047193113.db2.gz HOAJXLUQSMSCIX-MRXNPFEDSA-N 1 0 327.424 4.388 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806181566 1047193313 /nfs/dbraw/zinc/19/33/13/1047193313.db2.gz YBRYFVVKFDIHLT-KFNAQCHYSA-N 1 0 349.833 4.099 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000806178021 1047201529 /nfs/dbraw/zinc/20/15/29/1047201529.db2.gz BICDDNXDTCBFTF-MAUKXSAKSA-N 1 0 346.902 4.223 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000788557868 1047222661 /nfs/dbraw/zinc/22/26/61/1047222661.db2.gz QVVGWUUGWBFILS-MAUKXSAKSA-N 1 0 330.447 4.102 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c(O)c1 ZINC000788594570 1047239941 /nfs/dbraw/zinc/23/99/41/1047239941.db2.gz NREZYKQXANKORX-GDBMZVCRSA-N 1 0 346.421 4.217 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000788590748 1047240007 /nfs/dbraw/zinc/24/00/07/1047240007.db2.gz GJOUXGXBCTUXCU-QGZVFWFLSA-N 1 0 339.483 4.177 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c(O)c1 ZINC000788603084 1047246080 /nfs/dbraw/zinc/24/60/80/1047246080.db2.gz DSOCHMUSUHUXGB-YOEHRIQHSA-N 1 0 348.437 4.241 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)nc2N2CCCC2)c(O)c1 ZINC000788735890 1047299208 /nfs/dbraw/zinc/29/92/08/1047299208.db2.gz SPQORAYUQIUGSG-KRWDZBQOSA-N 1 0 339.483 4.163 20 10 EICDRO CCOc1ccc(CC[NH2+]Cc2ccc(OC)c(C)c2)cc1OCC ZINC000806676371 1047343735 /nfs/dbraw/zinc/34/37/35/1047343735.db2.gz WLWWQKWFFIBTSK-UHFFFAOYSA-N 1 0 343.467 4.133 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@]2(C1)CCCOC2)CCCC3 ZINC000789564501 1047441536 /nfs/dbraw/zinc/44/15/36/1047441536.db2.gz HAZUQBSNBSIASG-NRFANRHFSA-N 1 0 341.451 4.020 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCCO1 ZINC000789722571 1047468899 /nfs/dbraw/zinc/46/88/99/1047468899.db2.gz MLXUKJZPQZXXEE-IBGZPJMESA-N 1 0 336.435 4.055 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC001170535129 1047519688 /nfs/dbraw/zinc/51/96/88/1047519688.db2.gz FXPVNAGKQCKZBX-ZDUSSCGKSA-N 1 0 347.817 4.377 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c(O)c1 ZINC000897998144 1047524313 /nfs/dbraw/zinc/52/43/13/1047524313.db2.gz PFZSHXBVOPVIID-IBGZPJMESA-N 1 0 328.456 4.371 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)cc1OC ZINC000808223420 1047629818 /nfs/dbraw/zinc/62/98/18/1047629818.db2.gz MCSRVFGTRUJFNX-QGZVFWFLSA-N 1 0 333.453 4.054 20 10 EICDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000757636041 1047812258 /nfs/dbraw/zinc/81/22/58/1047812258.db2.gz FAQCPIZNBNBDQU-LLVKDONJSA-N 1 0 331.287 4.082 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000814178657 1047868956 /nfs/dbraw/zinc/86/89/56/1047868956.db2.gz YIWHXUDWXPXTJR-UHFFFAOYSA-N 1 0 334.803 4.287 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000808428684 1047938315 /nfs/dbraw/zinc/93/83/15/1047938315.db2.gz LIMTZODFZRSFPA-UHFFFAOYSA-N 1 0 344.327 4.339 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000808431252 1047946036 /nfs/dbraw/zinc/94/60/36/1047946036.db2.gz PRUFXONLFGAEIS-LBPRGKRZSA-N 1 0 332.435 4.004 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045538 1048024374 /nfs/dbraw/zinc/02/43/74/1048024374.db2.gz GGBWUPHSWHXQOM-OTYXRUKQSA-N 1 0 337.341 4.156 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000825090587 1048036583 /nfs/dbraw/zinc/03/65/83/1048036583.db2.gz BYZLHAPEKSTAFH-BPUTZDHNSA-N 1 0 327.424 4.006 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1O ZINC000808694572 1048038420 /nfs/dbraw/zinc/03/84/20/1048038420.db2.gz DXWQSGYMFRSEGO-CYBMUJFWSA-N 1 0 332.831 4.033 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2cnn(CC)c2)cc1 ZINC000825130087 1048039554 /nfs/dbraw/zinc/03/95/54/1048039554.db2.gz MFSOBXVEHHDRLR-QGZVFWFLSA-N 1 0 328.504 4.380 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000808707068 1048051809 /nfs/dbraw/zinc/05/18/09/1048051809.db2.gz ZPNCDGZDHBMUJR-PZROIBLQSA-N 1 0 337.822 4.266 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cc1OC ZINC000155080741 1048053571 /nfs/dbraw/zinc/05/35/71/1048053571.db2.gz PGAAUBAXPDHLBX-KRWDZBQOSA-N 1 0 329.440 4.431 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000808710638 1048054871 /nfs/dbraw/zinc/05/48/71/1048054871.db2.gz SUSOOTGTAUUBKS-ZIAGYGMSSA-N 1 0 325.880 4.193 20 10 EICDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808719523 1048066224 /nfs/dbraw/zinc/06/62/24/1048066224.db2.gz VERPWFDRTVPUCG-BIENJYKASA-N 1 0 333.859 4.435 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000808696723 1048077631 /nfs/dbraw/zinc/07/76/31/1048077631.db2.gz SDWIBXNYQXXIDS-IUUKEHGRSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000808697854 1048079947 /nfs/dbraw/zinc/07/99/47/1048079947.db2.gz XJFMRPPKPBXOCF-HOCLYGCPSA-N 1 0 333.859 4.171 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1ccc(OC)c(OC)c1 ZINC000815116397 1048332837 /nfs/dbraw/zinc/33/28/37/1048332837.db2.gz LDYAUOHBCCFWNT-LJQANCHMSA-N 1 0 342.483 4.401 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000815119661 1048336309 /nfs/dbraw/zinc/33/63/09/1048336309.db2.gz CQAOWUXTUMAXJF-IBGZPJMESA-N 1 0 332.875 4.273 20 10 EICDRO Oc1ccccc1C[NH2+]CCc1ccc(Br)cc1Cl ZINC000815165831 1048358537 /nfs/dbraw/zinc/35/85/37/1048358537.db2.gz PKPJPFFFIGPBJH-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO COc1ccc(CC[NH2+]Cc2cc(C)c(C)cc2O)c(Cl)c1OC ZINC000815144728 1048366470 /nfs/dbraw/zinc/36/64/70/1048366470.db2.gz JIMLBWLKVXYGJE-UHFFFAOYSA-N 1 0 349.858 4.012 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809700118 1048465312 /nfs/dbraw/zinc/46/53/12/1048465312.db2.gz XVHORLSDDCIBNJ-SZVBFZGTSA-N 1 0 343.854 4.050 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000155186598 1048466967 /nfs/dbraw/zinc/46/69/67/1048466967.db2.gz FKBWEWCMKRBYDX-SFHVURJKSA-N 1 0 326.440 4.372 20 10 EICDRO c1ccc(CN2CCc3cc(C[NH+]4CCC5(CCO5)CC4)ccc32)cc1 ZINC000809661796 1048468341 /nfs/dbraw/zinc/46/83/41/1048468341.db2.gz PKLQXQHTUYXJPY-UHFFFAOYSA-N 1 0 348.490 4.004 20 10 EICDRO c1cc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)ccn1 ZINC000809730340 1048480635 /nfs/dbraw/zinc/48/06/35/1048480635.db2.gz KBVOUTWOZIIFEE-UHFFFAOYSA-N 1 0 335.495 4.452 20 10 EICDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713193 1048491988 /nfs/dbraw/zinc/49/19/88/1048491988.db2.gz LMXHJRXXSRQOMV-SNVBAGLBSA-N 1 0 332.307 4.165 20 10 EICDRO CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCC=CO2)cc1 ZINC000809731926 1048485502 /nfs/dbraw/zinc/48/55/02/1048485502.db2.gz XJTAMTCCZKXQPK-IBGZPJMESA-N 1 0 326.440 4.041 20 10 EICDRO CCC[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000809703480 1048487192 /nfs/dbraw/zinc/48/71/92/1048487192.db2.gz KOEWOMQKGXAMTR-NRFANRHFSA-N 1 0 341.451 4.020 20 10 EICDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000809707676 1048488961 /nfs/dbraw/zinc/48/89/61/1048488961.db2.gz LIBLNMCNDHXYTE-UHFFFAOYSA-N 1 0 337.463 4.450 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000809712465 1048491502 /nfs/dbraw/zinc/49/15/02/1048491502.db2.gz NWFNVRCWJNYTIK-UHFFFAOYSA-N 1 0 334.204 4.068 20 10 EICDRO CCc1cccc(F)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712759 1048491548 /nfs/dbraw/zinc/49/15/48/1048491548.db2.gz DPQOYPAVEJAPFO-UHFFFAOYSA-N 1 0 338.220 4.146 20 10 EICDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1O ZINC001171148985 1048493821 /nfs/dbraw/zinc/49/38/21/1048493821.db2.gz UFKPKYJTALHSQC-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1F ZINC000809719476 1048496640 /nfs/dbraw/zinc/49/66/40/1048496640.db2.gz GNXXWSMVHHCTSH-VIFPVBQESA-N 1 0 342.183 4.284 20 10 EICDRO CC(C)OCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815553720 1048506029 /nfs/dbraw/zinc/50/60/29/1048506029.db2.gz IDTJQQISKMGYKV-HXUWFJFHSA-N 1 0 327.468 4.471 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2cccnc2)Cc2ccccc2C)c1 ZINC000809736020 1048507960 /nfs/dbraw/zinc/50/79/60/1048507960.db2.gz ZEZRYZXBJMGELE-UHFFFAOYSA-N 1 0 348.446 4.307 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1cccnc1 ZINC000815557967 1048508907 /nfs/dbraw/zinc/50/89/07/1048508907.db2.gz LSWUUOMKTJUODN-OAQYLSRUSA-N 1 0 332.447 4.293 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1O ZINC000809740358 1048511968 /nfs/dbraw/zinc/51/19/68/1048511968.db2.gz VIEQXSBPJRLIJB-UHFFFAOYSA-N 1 0 345.748 4.363 20 10 EICDRO COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000809740331 1048512307 /nfs/dbraw/zinc/51/23/07/1048512307.db2.gz UJPXGRRQFBOLHM-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)c1O ZINC000809740244 1048513756 /nfs/dbraw/zinc/51/37/56/1048513756.db2.gz QXMPDBDYIGJNGA-UHFFFAOYSA-N 1 0 337.394 4.497 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000815581612 1048519988 /nfs/dbraw/zinc/51/99/88/1048519988.db2.gz LAZRYUANLFHFCW-OXQOHEQNSA-N 1 0 343.467 4.180 20 10 EICDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809757681 1048522273 /nfs/dbraw/zinc/52/22/73/1048522273.db2.gz QXGDSGWSZAHPBL-GOSISDBHSA-N 1 0 327.472 4.466 20 10 EICDRO CC1(O)CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815586501 1048523033 /nfs/dbraw/zinc/52/30/33/1048523033.db2.gz KIKSLGLLRTYMTI-JGBTYHIZSA-N 1 0 339.479 4.349 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000815582717 1048523276 /nfs/dbraw/zinc/52/32/76/1048523276.db2.gz NRLUDYLVEXMMKF-ZJOUEHCJSA-N 1 0 339.479 4.207 20 10 EICDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000815597111 1048530855 /nfs/dbraw/zinc/53/08/55/1048530855.db2.gz MVEKFSFHERHYNM-KRWDZBQOSA-N 1 0 335.451 4.354 20 10 EICDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809784007 1048531995 /nfs/dbraw/zinc/53/19/95/1048531995.db2.gz OZQYCNKKDYUCLY-KRWDZBQOSA-N 1 0 345.439 4.001 20 10 EICDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)c2ccccc21 ZINC000815599456 1048532325 /nfs/dbraw/zinc/53/23/25/1048532325.db2.gz TZQGSJDPDAHGBH-MAUKXSAKSA-N 1 0 338.451 4.158 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000815598662 1048533038 /nfs/dbraw/zinc/53/30/38/1048533038.db2.gz ZTMWVFLZCRLCRL-HKUYNNGSSA-N 1 0 341.495 4.462 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1 ZINC000815572595 1048536359 /nfs/dbraw/zinc/53/63/59/1048536359.db2.gz IFCAWAGDMJRSSK-HNNXBMFYSA-N 1 0 326.440 4.044 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3C)CC2)cc1 ZINC000815573626 1048537073 /nfs/dbraw/zinc/53/70/73/1048537073.db2.gz OSECELFTNYKAHG-MRXNPFEDSA-N 1 0 342.458 4.462 20 10 EICDRO COC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815613952 1048540315 /nfs/dbraw/zinc/54/03/15/1048540315.db2.gz BJJCIPBADOIDRQ-LJQANCHMSA-N 1 0 325.452 4.225 20 10 EICDRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815618992 1048545921 /nfs/dbraw/zinc/54/59/21/1048545921.db2.gz ZJUWPZOBSITKQK-SESVDKBCSA-N 1 0 339.479 4.207 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccnc1F ZINC000815621811 1048549324 /nfs/dbraw/zinc/54/93/24/1048549324.db2.gz FFCFLXCLMXKIIK-IBGZPJMESA-N 1 0 336.410 4.390 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815627484 1048551597 /nfs/dbraw/zinc/55/15/97/1048551597.db2.gz BWULJVCHTVOYAM-IRXDYDNUSA-N 1 0 342.458 4.325 20 10 EICDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815626002 1048551729 /nfs/dbraw/zinc/55/17/29/1048551729.db2.gz RVPNYOKKMFCFCT-SLYNCCJLSA-N 1 0 339.479 4.328 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000815627949 1048552009 /nfs/dbraw/zinc/55/20/09/1048552009.db2.gz OEMOVCKVBXBDAH-AUUYWEPGSA-N 1 0 331.481 4.209 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC000815659988 1048561204 /nfs/dbraw/zinc/56/12/04/1048561204.db2.gz PHDUZVFUKFDEAN-KSSFIOAISA-N 1 0 330.497 4.068 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)N(C)C)cc1 ZINC000815660098 1048561433 /nfs/dbraw/zinc/56/14/33/1048561433.db2.gz RHCUQFMQUVJNKN-UGSOOPFHSA-N 1 0 348.487 4.207 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)c1ccccc1O ZINC000815639296 1048565523 /nfs/dbraw/zinc/56/55/23/1048565523.db2.gz TUMBPDMTRGYWJA-OAHLLOKOSA-N 1 0 349.858 4.346 20 10 EICDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000810135474 1048643297 /nfs/dbraw/zinc/64/32/97/1048643297.db2.gz OKKABFKMDOSKQA-AWEZNQCLSA-N 1 0 348.537 4.157 20 10 EICDRO CC[C@H]([NH2+]CCc1ccccc1O)c1ccc(C(F)(F)F)cc1O ZINC000810214573 1048684273 /nfs/dbraw/zinc/68/42/73/1048684273.db2.gz BTTWSLVRBMDFBX-HNNXBMFYSA-N 1 0 339.357 4.400 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046911 1048702357 /nfs/dbraw/zinc/70/23/57/1048702357.db2.gz WVCUGGIDRHAOEL-LJQANCHMSA-N 1 0 343.398 4.080 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810259682 1048711861 /nfs/dbraw/zinc/71/18/61/1048711861.db2.gz PEZPAVXYYHDSEC-LSDHHAIUSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810240830 1048724536 /nfs/dbraw/zinc/72/45/36/1048724536.db2.gz GRLZYIFLNRHCQO-ZOWXZIJZSA-N 1 0 331.378 4.124 20 10 EICDRO CC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000810242576 1048724828 /nfs/dbraw/zinc/72/48/28/1048724828.db2.gz DXUWTSQGWJEGCR-JLTOFOAXSA-N 1 0 329.415 4.060 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000810253350 1048731156 /nfs/dbraw/zinc/73/11/56/1048731156.db2.gz RZEZRSWECKJGCS-YWZLYKJASA-N 1 0 344.524 4.343 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000845971061 1048773010 /nfs/dbraw/zinc/77/30/10/1048773010.db2.gz GYIUCXIFENACQP-YQQAZPJKSA-N 1 0 326.440 4.173 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC000845972150 1048773458 /nfs/dbraw/zinc/77/34/58/1048773458.db2.gz PFGYKBCYYMPDKQ-HPUBIQBYSA-N 1 0 341.451 4.483 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846041749 1048804906 /nfs/dbraw/zinc/80/49/06/1048804906.db2.gz AQGPGDOZPMWNIT-JOCHJYFZSA-N 1 0 337.463 4.354 20 10 EICDRO CCN(CC)c1ccc(CN(C)Cc2ncc(CSC)s2)cc1 ZINC000816482566 1048812995 /nfs/dbraw/zinc/81/29/95/1048812995.db2.gz KRDXEFNYQPLUEM-UHFFFAOYSA-N 1 0 349.569 4.484 20 10 EICDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521116 1048819706 /nfs/dbraw/zinc/81/97/06/1048819706.db2.gz HPECPAMAGAUALW-INIZCTEOSA-N 1 0 341.451 4.101 20 10 EICDRO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509229 1048822813 /nfs/dbraw/zinc/82/28/13/1048822813.db2.gz IRSOUASYKWGITH-QFIPXVFZSA-N 1 0 333.431 4.293 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)c1O ZINC000846149520 1048823252 /nfs/dbraw/zinc/82/32/52/1048823252.db2.gz ZSMNIACGBBFXRO-IRXDYDNUSA-N 1 0 340.467 4.029 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2sccc2Br)c1O ZINC000846150022 1048823672 /nfs/dbraw/zinc/82/36/72/1048823672.db2.gz WJRSZUKYMSJHQM-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1O ZINC000846149139 1048823978 /nfs/dbraw/zinc/82/39/78/1048823978.db2.gz WIEUQVVCXAFZPZ-YVEFUNNKSA-N 1 0 335.831 4.093 20 10 EICDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846156775 1048825057 /nfs/dbraw/zinc/82/50/57/1048825057.db2.gz YBLUTGQGXYMWRT-ZIAGYGMSSA-N 1 0 339.439 4.182 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1O ZINC000846158195 1048826019 /nfs/dbraw/zinc/82/60/19/1048826019.db2.gz UQFVVSWKRJTDDB-FCEWJHQRSA-N 1 0 341.451 4.219 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000846163869 1048826724 /nfs/dbraw/zinc/82/67/24/1048826724.db2.gz MIVOMHCGOZBWAP-CHWSQXEVSA-N 1 0 331.460 4.073 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170391 1048828001 /nfs/dbraw/zinc/82/80/01/1048828001.db2.gz KDHLJHZARYQKBM-MLGOLLRUSA-N 1 0 335.831 4.093 20 10 EICDRO COC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846168522 1048828383 /nfs/dbraw/zinc/82/83/83/1048828383.db2.gz JWPBVDIGIKRLRF-UKRRQHHQSA-N 1 0 349.858 4.135 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)c1O ZINC000846168563 1048828652 /nfs/dbraw/zinc/82/86/52/1048828652.db2.gz KGLQCTYORMSYNV-YOEHRIQHSA-N 1 0 326.440 4.023 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C2CC2)cc1 ZINC000846135542 1048829267 /nfs/dbraw/zinc/82/92/67/1048829267.db2.gz DVIXETSHLOKMAD-ORAYPTAESA-N 1 0 327.424 4.211 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1O ZINC000846135365 1048829378 /nfs/dbraw/zinc/82/93/78/1048829378.db2.gz CHSCGRXJACOPJM-NEPJUHHUSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1O ZINC000846136684 1048829438 /nfs/dbraw/zinc/82/94/38/1048829438.db2.gz NAPQRVWAQUTDDC-VXGBXAGGSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141627 1048831048 /nfs/dbraw/zinc/83/10/48/1048831048.db2.gz LAMPGWRNGVRJGD-WBMJQRKESA-N 1 0 331.387 4.104 20 10 EICDRO Oc1c(C[NH2+]CCc2ccccc2OC(F)F)ccc2ccccc21 ZINC000816588878 1048832212 /nfs/dbraw/zinc/83/22/12/1048832212.db2.gz DEHAKOIPPPVFIX-UHFFFAOYSA-N 1 0 343.373 4.479 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c1O ZINC000846145964 1048832752 /nfs/dbraw/zinc/83/27/52/1048832752.db2.gz OYLAXHOMMZFMCW-CQSZACIVSA-N 1 0 329.465 4.376 20 10 EICDRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816553884 1048834007 /nfs/dbraw/zinc/83/40/07/1048834007.db2.gz JFWMFZKRGHFTIL-OAHLLOKOSA-N 1 0 337.419 4.111 20 10 EICDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559244 1048835078 /nfs/dbraw/zinc/83/50/78/1048835078.db2.gz COZCXWKBINWRNK-CXAGYDPISA-N 1 0 327.449 4.209 20 10 EICDRO COc1cc2c(cc1F)C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816560564 1048835105 /nfs/dbraw/zinc/83/51/05/1048835105.db2.gz SOXNJLBDIBXFKQ-UHFFFAOYSA-N 1 0 337.394 4.251 20 10 EICDRO Oc1cc(F)c(Cl)cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000816558930 1048835602 /nfs/dbraw/zinc/83/56/02/1048835602.db2.gz QVCDLVIIRSZCJK-UHFFFAOYSA-N 1 0 348.849 4.435 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846181923 1048836139 /nfs/dbraw/zinc/83/61/39/1048836139.db2.gz FXFDULFRWRPFIT-PRXAMGSTSA-N 1 0 337.822 4.266 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(N(C)C)cc1 ZINC000846202887 1048841370 /nfs/dbraw/zinc/84/13/70/1048841370.db2.gz XKXIGTJLBIHGCF-NRSPTQNISA-N 1 0 339.483 4.109 20 10 EICDRO C[N@H+](CCNCc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000921065695 1048841347 /nfs/dbraw/zinc/84/13/47/1048841347.db2.gz FVFIRRAALRHYMP-UHFFFAOYSA-N 1 0 329.532 4.031 20 10 EICDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816601139 1048842553 /nfs/dbraw/zinc/84/25/53/1048842553.db2.gz SQCIIHDGHLAOFC-LJQANCHMSA-N 1 0 337.394 4.470 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c1O ZINC000816643553 1048847087 /nfs/dbraw/zinc/84/70/87/1048847087.db2.gz IULJCTRTWIYJRV-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000846211721 1048848614 /nfs/dbraw/zinc/84/86/14/1048848614.db2.gz IFSIVLYSNYWEHN-AWEZNQCLSA-N 1 0 334.891 4.160 20 10 EICDRO [NH3+]CC1(CCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000846298719 1048855218 /nfs/dbraw/zinc/85/52/18/1048855218.db2.gz CNYXQQCYCPCIMK-UHFFFAOYSA-N 1 0 337.427 4.353 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)c1ccccc1O ZINC001170855433 1048903373 /nfs/dbraw/zinc/90/33/73/1048903373.db2.gz ZBICCYDIBRYALX-LRDDRELGSA-N 1 0 346.268 4.363 20 10 EICDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000817415556 1048966512 /nfs/dbraw/zinc/96/65/12/1048966512.db2.gz UZPSTMWUMVKLNO-HKUYNNGSSA-N 1 0 344.524 4.432 20 10 EICDRO OCC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817419819 1048966917 /nfs/dbraw/zinc/96/69/17/1048966917.db2.gz YOGNEULTVPXCQR-KRWDZBQOSA-N 1 0 325.452 4.044 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCO1 ZINC000817585784 1049016952 /nfs/dbraw/zinc/01/69/52/1049016952.db2.gz IAAKJRJCTANFHC-MRVWCRGKSA-N 1 0 342.277 4.071 20 10 EICDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)sc1Br ZINC000817958446 1049066885 /nfs/dbraw/zinc/06/68/85/1049066885.db2.gz WBPNQVTVFBYQLH-NSHDSACASA-N 1 0 339.302 4.295 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955399 1049067673 /nfs/dbraw/zinc/06/76/73/1049067673.db2.gz XPGUEBPHUVNLTB-OXQOHEQNSA-N 1 0 341.474 4.167 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965542 1049070294 /nfs/dbraw/zinc/07/02/94/1049070294.db2.gz WYQDDVWIUJCNOX-CQSZACIVSA-N 1 0 331.287 4.129 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966448 1049071718 /nfs/dbraw/zinc/07/17/18/1049071718.db2.gz OBQAIPLVTCPUCN-HOCLYGCPSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970664 1049072410 /nfs/dbraw/zinc/07/24/10/1049072410.db2.gz BRCXHIJMGVLIHG-AOMKIAJQSA-N 1 0 333.479 4.256 20 10 EICDRO Fc1ccc(CC[NH2+]CCCSc2nccs2)c(Cl)c1 ZINC000811481655 1049077179 /nfs/dbraw/zinc/07/71/79/1049077179.db2.gz IOHVZLYHMQRDEE-UHFFFAOYSA-N 1 0 330.881 4.250 20 10 EICDRO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984849 1049079805 /nfs/dbraw/zinc/07/98/05/1049079805.db2.gz AVLNCICQBUVZJD-CQSZACIVSA-N 1 0 329.271 4.050 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985407 1049080122 /nfs/dbraw/zinc/08/01/22/1049080122.db2.gz JUQDYWVUTCYLPZ-IUODEOHRSA-N 1 0 343.298 4.414 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985411 1049080817 /nfs/dbraw/zinc/08/08/17/1049080817.db2.gz JUQDYWVUTCYLPZ-WFASDCNBSA-N 1 0 343.298 4.414 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518411 1049102171 /nfs/dbraw/zinc/10/21/71/1049102171.db2.gz JPAHZSBVCAAWGC-NHCUHLMSSA-N 1 0 340.511 4.210 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)c1O ZINC000811520943 1049106521 /nfs/dbraw/zinc/10/65/21/1049106521.db2.gz XCQSPERLQMOESA-MRXNPFEDSA-N 1 0 338.451 4.068 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4occc4c3)C2)cc1 ZINC000818219339 1049113817 /nfs/dbraw/zinc/11/38/17/1049113817.db2.gz CAYBEGDQTRJNIY-KRWDZBQOSA-N 1 0 336.435 4.058 20 10 EICDRO Oc1c(Cl)cccc1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508355 1049120249 /nfs/dbraw/zinc/12/02/49/1049120249.db2.gz NBEAVHGTNATCHH-INIZCTEOSA-N 1 0 328.843 4.030 20 10 EICDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000811511564 1049124026 /nfs/dbraw/zinc/12/40/26/1049124026.db2.gz NLXUSKBVIWFPAP-FQEVSTJZSA-N 1 0 330.516 4.456 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CCc3ccsc3)C2)cc1 ZINC000818343174 1049135334 /nfs/dbraw/zinc/13/53/34/1049135334.db2.gz YZBPIDYZCZTAGC-SJLPKXTDSA-N 1 0 344.524 4.194 20 10 EICDRO CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818343381 1049136121 /nfs/dbraw/zinc/13/61/21/1049136121.db2.gz AOYFECSFGAVENM-IAGOWNOFSA-N 1 0 344.524 4.194 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4sccc43)C2)cc1 ZINC000818344349 1049137321 /nfs/dbraw/zinc/13/73/21/1049137321.db2.gz LYUKLFLITSXYKT-DNVCBOLYSA-N 1 0 342.508 4.250 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984349 1049211183 /nfs/dbraw/zinc/21/11/83/1049211183.db2.gz DXRWSSSVFMYHHZ-MOPGFXCFSA-N 1 0 340.467 4.326 20 10 EICDRO CC[N@H+](Cc1ccc(Br)s1)Cc1ccccc1O ZINC001137647127 1049276211 /nfs/dbraw/zinc/27/62/11/1049276211.db2.gz FTUBHTXAGKTSQI-UHFFFAOYSA-N 1 0 326.259 4.238 20 10 EICDRO [NH3+]C1CCC(N(c2ccc3c(c2)CCO3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170646177 1049300585 /nfs/dbraw/zinc/30/05/85/1049300585.db2.gz NLVNWEGMQPMAIP-IJZHQTRZSA-N 1 0 348.490 4.254 20 10 EICDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1OC ZINC000773002610 1049514755 /nfs/dbraw/zinc/51/47/55/1049514755.db2.gz WOEWYYLIKNPDPL-MRXNPFEDSA-N 1 0 342.483 4.237 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000812735922 1049556342 /nfs/dbraw/zinc/55/63/42/1049556342.db2.gz IEKANSBYKOVYMV-HZPDHXFCSA-N 1 0 328.431 4.017 20 10 EICDRO COc1ccc(N2CCC(Nc3cc4c(c[nH+]3)CCCC4)CC2)cc1 ZINC000812739574 1049556535 /nfs/dbraw/zinc/55/65/35/1049556535.db2.gz UOHLVFQFKXOTPT-UHFFFAOYSA-N 1 0 337.467 4.050 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)cc1 ZINC000237574875 1049629145 /nfs/dbraw/zinc/62/91/45/1049629145.db2.gz LNQAIIVYKMWWBR-FOIQADDNSA-N 1 0 340.467 4.170 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2C2CCCCC2)c1 ZINC000813331659 1049753385 /nfs/dbraw/zinc/75/33/85/1049753385.db2.gz QIXPMXCXCMCMJH-AWEZNQCLSA-N 1 0 343.471 4.033 20 10 EICDRO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001203180764 1049759567 /nfs/dbraw/zinc/75/95/67/1049759567.db2.gz BLNTXZHLKFOLLD-LJQANCHMSA-N 1 0 329.532 4.029 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](CC)c2ccccc2OC)ccc1OC ZINC000747854549 1049764181 /nfs/dbraw/zinc/76/41/81/1049764181.db2.gz NMRZCDGGDFYZNJ-LJQANCHMSA-N 1 0 343.467 4.481 20 10 EICDRO Oc1c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530267 1049767905 /nfs/dbraw/zinc/76/79/05/1049767905.db2.gz WAQDRHNIKIUFAN-NRFANRHFSA-N 1 0 337.463 4.327 20 10 EICDRO CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000324812223 1049804602 /nfs/dbraw/zinc/80/46/02/1049804602.db2.gz SUVPCVOCQXKTRD-HNNXBMFYSA-N 1 0 330.447 4.224 20 10 EICDRO CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000324812424 1049805148 /nfs/dbraw/zinc/80/51/48/1049805148.db2.gz SUVPCVOCQXKTRD-OAHLLOKOSA-N 1 0 330.447 4.224 20 10 EICDRO Cc1nnsc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000813790620 1049816097 /nfs/dbraw/zinc/81/60/97/1049816097.db2.gz WCFCMTWOJYAACV-UHFFFAOYSA-N 1 0 347.528 4.437 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000813882914 1049831818 /nfs/dbraw/zinc/83/18/18/1049831818.db2.gz AFYSZQIIVXAGFI-GXTWGEPZSA-N 1 0 334.822 4.114 20 10 EICDRO CCOC[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823477185 1049851056 /nfs/dbraw/zinc/85/10/56/1049851056.db2.gz MCULLQCBCTWUDM-SFHVURJKSA-N 1 0 344.524 4.243 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC000823943726 1049889247 /nfs/dbraw/zinc/88/92/47/1049889247.db2.gz MBFSIGJFDLWIPB-UHFFFAOYSA-N 1 0 328.403 4.427 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC(F)(F)F)c1 ZINC000180838631 1049953217 /nfs/dbraw/zinc/95/32/17/1049953217.db2.gz AUZCPNCJCBLDQO-SNVBAGLBSA-N 1 0 329.293 4.281 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2Br)cc1 ZINC001177541948 1050249409 /nfs/dbraw/zinc/24/94/09/1050249409.db2.gz GMBVDHCPBHOSAH-AATRIKPKSA-N 1 0 345.284 4.318 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC001177548534 1050251115 /nfs/dbraw/zinc/25/11/15/1050251115.db2.gz IKHQAVGUXIGFQY-QFIPXVFZSA-N 1 0 335.495 4.188 20 10 EICDRO Cc1ccc(C[C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC001177843429 1050312143 /nfs/dbraw/zinc/31/21/43/1050312143.db2.gz ARCJUCUQUPAUII-HNNXBMFYSA-N 1 0 332.438 4.368 20 10 EICDRO COc1cccc(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC001178280459 1050426369 /nfs/dbraw/zinc/42/63/69/1050426369.db2.gz DNCSRLAJERGYSX-UHFFFAOYSA-N 1 0 325.452 4.088 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001178346790 1050441250 /nfs/dbraw/zinc/44/12/50/1050441250.db2.gz NFOHRAQLCUGBGX-SREVYHEPSA-N 1 0 339.483 4.128 20 10 EICDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001178374212 1050449332 /nfs/dbraw/zinc/44/93/32/1050449332.db2.gz QUJHZNZFFXOSHF-CQSZACIVSA-N 1 0 348.437 4.008 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC001178430234 1050455495 /nfs/dbraw/zinc/45/54/95/1050455495.db2.gz CFVOQIDXLWXPQH-HXUWFJFHSA-N 1 0 342.870 4.137 20 10 EICDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001178595466 1050503555 /nfs/dbraw/zinc/50/35/55/1050503555.db2.gz PQVRPTKHUQRWQD-HDJSIYSDSA-N 1 0 346.268 4.499 20 10 EICDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825283382 1050527730 /nfs/dbraw/zinc/52/77/30/1050527730.db2.gz LEQFOQFTQQQLQI-UHFFFAOYSA-N 1 0 326.259 4.241 20 10 EICDRO Oc1ccc(CC[NH2+]C2CCC3(CCc4ccccc43)CC2)cc1O ZINC001173687950 1050541325 /nfs/dbraw/zinc/54/13/25/1050541325.db2.gz VIRHVNNRJJFRRD-UHFFFAOYSA-N 1 0 337.463 4.057 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)c2ccccc2OC)c1 ZINC000182203415 1050542276 /nfs/dbraw/zinc/54/22/76/1050542276.db2.gz JFRNJTXYZUKRAS-QFIPXVFZSA-N 1 0 349.430 4.289 20 10 EICDRO CCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000775140653 1050603230 /nfs/dbraw/zinc/60/32/30/1050603230.db2.gz OUMPJDCRBLICSD-UHFFFAOYSA-N 1 0 348.874 4.233 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000182321413 1050604489 /nfs/dbraw/zinc/60/44/89/1050604489.db2.gz HWHDCPDGQGMVBU-NSHDSACASA-N 1 0 346.477 4.437 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001179052932 1050617764 /nfs/dbraw/zinc/61/77/64/1050617764.db2.gz IJNZJEOSACWPPT-BWAMLYQTSA-N 1 0 349.522 4.020 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC001179316279 1050673265 /nfs/dbraw/zinc/67/32/65/1050673265.db2.gz RYCBUVZDZJHUQH-VOTSOKGWSA-N 1 0 330.516 4.482 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCSCCC(F)(F)F ZINC001179369281 1050683809 /nfs/dbraw/zinc/68/38/09/1050683809.db2.gz AOGPPISOIFJFPV-UHFFFAOYSA-N 1 0 330.419 4.262 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001179437748 1050691602 /nfs/dbraw/zinc/69/16/02/1050691602.db2.gz LUBHELBIOLNBCF-JOCHJYFZSA-N 1 0 348.494 4.260 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001179686203 1050748619 /nfs/dbraw/zinc/74/86/19/1050748619.db2.gz URPPMLRJFLOQQT-AWEZNQCLSA-N 1 0 337.423 4.288 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1O ZINC001179878250 1050815215 /nfs/dbraw/zinc/81/52/15/1050815215.db2.gz NQAMFEXPNHZZAE-LPHOPBHVSA-N 1 0 325.452 4.335 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962788 1050849134 /nfs/dbraw/zinc/84/91/34/1050849134.db2.gz SJSRDQWUIDMKPD-BBRMVZONSA-N 1 0 345.439 4.284 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC001180098022 1050885923 /nfs/dbraw/zinc/88/59/23/1050885923.db2.gz JEFIIDMERMVKJI-KDURUIRLSA-N 1 0 326.509 4.472 20 10 EICDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098849 1050886673 /nfs/dbraw/zinc/88/66/73/1050886673.db2.gz PUNVREBDPLIWKT-MSOLQXFVSA-N 1 0 339.426 4.230 20 10 EICDRO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCCC1 ZINC001180173391 1050895044 /nfs/dbraw/zinc/89/50/44/1050895044.db2.gz FPMYJDJGPPZEJD-UHFFFAOYSA-N 1 0 344.543 4.440 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1O ZINC001180183805 1050898019 /nfs/dbraw/zinc/89/80/19/1050898019.db2.gz HQKPEWKGRZUGJB-IBGZPJMESA-N 1 0 343.442 4.446 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000183105604 1050981123 /nfs/dbraw/zinc/98/11/23/1050981123.db2.gz ZVLCGLLAASWEIN-OLZOCXBDSA-N 1 0 330.384 4.029 20 10 EICDRO Cc1ccc([C@@H](C)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001180429502 1050985426 /nfs/dbraw/zinc/98/54/26/1050985426.db2.gz BOGQKDNCHNBDFC-GHTZIAJQSA-N 1 0 339.479 4.485 20 10 EICDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(OC)c2O)c1 ZINC001180513713 1051013357 /nfs/dbraw/zinc/01/33/57/1051013357.db2.gz KORUGHOLQJAZLN-GOSISDBHSA-N 1 0 327.424 4.055 20 10 EICDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccn1 ZINC000183506462 1051137482 /nfs/dbraw/zinc/13/74/82/1051137482.db2.gz NFTOFERPBOKGCB-CVEARBPZSA-N 1 0 328.456 4.451 20 10 EICDRO CCc1cccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1O ZINC001181133804 1051161811 /nfs/dbraw/zinc/16/18/11/1051161811.db2.gz ATDYLSKXMDFHLB-HXUWFJFHSA-N 1 0 345.870 4.099 20 10 EICDRO CCCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(C)n1 ZINC000773409880 1051182542 /nfs/dbraw/zinc/18/25/42/1051182542.db2.gz OXZMWVTXXTUVMV-UHFFFAOYSA-N 1 0 340.515 4.272 20 10 EICDRO CN(C)c1ccc(C[N@H+](CCCOCc2ccccc2)C2CC2)cc1 ZINC001190446864 1051187696 /nfs/dbraw/zinc/18/76/96/1051187696.db2.gz PTSQJEUVVYYZBH-UHFFFAOYSA-N 1 0 338.495 4.324 20 10 EICDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001181223591 1051189414 /nfs/dbraw/zinc/18/94/14/1051189414.db2.gz QFXIWIRACXUASS-CPUCHLNUSA-N 1 0 338.948 4.417 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2coc3ccccc23)c1 ZINC001181543299 1051247023 /nfs/dbraw/zinc/24/70/23/1051247023.db2.gz CISMTLNTLZWCTB-ZIAGYGMSSA-N 1 0 325.408 4.429 20 10 EICDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000775416584 1051293021 /nfs/dbraw/zinc/29/30/21/1051293021.db2.gz HVDCZUJTCQSNJY-WRWLIDTKSA-N 1 0 334.479 4.282 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1O ZINC001191048685 1051346715 /nfs/dbraw/zinc/34/67/15/1051346715.db2.gz RCLXKVQMMOPAAD-AWEZNQCLSA-N 1 0 347.817 4.377 20 10 EICDRO CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774114788 1051458856 /nfs/dbraw/zinc/45/88/56/1051458856.db2.gz JITVYKUZNKTXOR-LBPRGKRZSA-N 1 0 345.314 4.470 20 10 EICDRO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774165698 1051490632 /nfs/dbraw/zinc/49/06/32/1051490632.db2.gz RKXPQCYMJURQQN-NSHDSACASA-N 1 0 331.287 4.082 20 10 EICDRO CC[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CC(C)(C)C1 ZINC001182325714 1051500213 /nfs/dbraw/zinc/50/02/13/1051500213.db2.gz CNBWRUDUWGNKAT-UHFFFAOYSA-N 1 0 326.278 4.474 20 10 EICDRO CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775485186 1051556550 /nfs/dbraw/zinc/55/65/50/1051556550.db2.gz PQZZEOSXAWTKNV-CQSZACIVSA-N 1 0 331.287 4.226 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1cc(Cl)ccc1O ZINC000775490280 1051573257 /nfs/dbraw/zinc/57/32/57/1051573257.db2.gz BAXUGOSLZLRWPN-INIZCTEOSA-N 1 0 335.831 4.304 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775489704 1051581278 /nfs/dbraw/zinc/58/12/78/1051581278.db2.gz QOMKRIYETCWGDZ-LSDHHAIUSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492827 1051592837 /nfs/dbraw/zinc/59/28/37/1051592837.db2.gz SUVAPSGMFXLIAK-WFASDCNBSA-N 1 0 348.878 4.165 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483747 1051610458 /nfs/dbraw/zinc/61/04/58/1051610458.db2.gz LXGHNHVAAQCGMP-UONOGXRCSA-N 1 0 345.874 4.084 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2csc(Br)c2)c(O)c1 ZINC000273388941 1051619494 /nfs/dbraw/zinc/61/94/94/1051619494.db2.gz KGFXSFYHWCVXIV-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000775495983 1051619718 /nfs/dbraw/zinc/61/97/18/1051619718.db2.gz CTJWJMKZAITZFX-INIZCTEOSA-N 1 0 347.842 4.100 20 10 EICDRO CC[C@@H]([NH2+]CCCCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775499683 1051624714 /nfs/dbraw/zinc/62/47/14/1051624714.db2.gz TWTBEDDYJQLQQU-MRXNPFEDSA-N 1 0 333.863 4.374 20 10 EICDRO CC[C@H]([NH2+]CCNc1ccccc1)c1cc(Br)ccc1O ZINC000775513357 1051654086 /nfs/dbraw/zinc/65/40/86/1051654086.db2.gz XXYQIQBKINQVCB-INIZCTEOSA-N 1 0 349.272 4.308 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1O ZINC000775521108 1051678251 /nfs/dbraw/zinc/67/82/51/1051678251.db2.gz QQRFZLGEBQTAAF-MJGOQNOKSA-N 1 0 331.843 4.400 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1O ZINC000775521107 1051678651 /nfs/dbraw/zinc/67/86/51/1051678651.db2.gz QQRFZLGEBQTAAF-IEBWSBKVSA-N 1 0 331.843 4.400 20 10 EICDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001192336698 1051694560 /nfs/dbraw/zinc/69/45/60/1051694560.db2.gz WLYGJWAFDXYNLY-LJQANCHMSA-N 1 0 348.874 4.389 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cc(Cl)ccc1O ZINC000775523957 1051699154 /nfs/dbraw/zinc/69/91/54/1051699154.db2.gz BRFOQEIKXRRRCA-XNISGKROSA-N 1 0 343.945 4.466 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000775525184 1051705232 /nfs/dbraw/zinc/70/52/32/1051705232.db2.gz YFWOLDRMPHIMAH-SQWLQELKSA-N 1 0 342.277 4.153 20 10 EICDRO CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775531891 1051748071 /nfs/dbraw/zinc/74/80/71/1051748071.db2.gz OZSCYARGIYAXOX-KRWDZBQOSA-N 1 0 335.879 4.069 20 10 EICDRO CC[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Cl)ccc1O ZINC000775541878 1051791561 /nfs/dbraw/zinc/79/15/61/1051791561.db2.gz HPWACQILLUMFBP-INIZCTEOSA-N 1 0 328.803 4.190 20 10 EICDRO Cc1nc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)cs1 ZINC000774589507 1051792452 /nfs/dbraw/zinc/79/24/52/1051792452.db2.gz QHYQTOQOBOYBJR-QGZVFWFLSA-N 1 0 325.437 4.042 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC000775545237 1051804473 /nfs/dbraw/zinc/80/44/73/1051804473.db2.gz DHZVCQBTSBVTER-OAHLLOKOSA-N 1 0 334.803 4.237 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1N(C)C ZINC001176021405 1051878010 /nfs/dbraw/zinc/87/80/10/1051878010.db2.gz PFLLKYUUNMUVCQ-MRXNPFEDSA-N 1 0 330.422 4.329 20 10 EICDRO Cc1ccc(CNc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)c(O)c1 ZINC001183789739 1051899318 /nfs/dbraw/zinc/89/93/18/1051899318.db2.gz WXZQEJZYGRJJKJ-UHFFFAOYSA-N 1 0 338.373 4.393 20 10 EICDRO Cc1cnc(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)s1 ZINC000763676248 1051909937 /nfs/dbraw/zinc/90/99/37/1051909937.db2.gz RNHMTKAPBZSGRG-UHFFFAOYSA-N 1 0 336.888 4.499 20 10 EICDRO Oc1c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886711 1051914084 /nfs/dbraw/zinc/91/40/84/1051914084.db2.gz UQDYPLYJOPXEAF-HNNXBMFYSA-N 1 0 338.476 4.457 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1ccc(N(C)C)cc1 ZINC001193575167 1051948903 /nfs/dbraw/zinc/94/89/03/1051948903.db2.gz LEOIELZVXBDHCW-CCKFTAQKSA-N 1 0 330.422 4.452 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(F)cc2)c1O ZINC001184135145 1051951766 /nfs/dbraw/zinc/95/17/66/1051951766.db2.gz LLDPTERBJDMMSK-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1N(C)C ZINC001184418463 1052010448 /nfs/dbraw/zinc/01/04/48/1052010448.db2.gz PJILLGRGRUJRNL-HNNXBMFYSA-N 1 0 329.463 4.117 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000184857058 1052265478 /nfs/dbraw/zinc/26/54/78/1052265478.db2.gz COAWETYSVYZKDC-WMZOPIPTSA-N 1 0 328.456 4.171 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000184856746 1052266211 /nfs/dbraw/zinc/26/62/11/1052266211.db2.gz BEZHHAIKFSFNFB-FUHWJXTLSA-N 1 0 328.456 4.171 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000184912116 1052295734 /nfs/dbraw/zinc/29/57/34/1052295734.db2.gz UWNJMZHQUJSRAN-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184897835 1052297942 /nfs/dbraw/zinc/29/79/42/1052297942.db2.gz OTJAVBWZXIBWCY-HUUCEWRRSA-N 1 0 341.451 4.274 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cc(F)ccc1O ZINC000185006661 1052359551 /nfs/dbraw/zinc/35/95/51/1052359551.db2.gz MIXBOEUASSLUFX-CYBMUJFWSA-N 1 0 330.403 4.099 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185045680 1052378658 /nfs/dbraw/zinc/37/86/58/1052378658.db2.gz ICPKBCKVQLCWGS-ZDUSSCGKSA-N 1 0 330.403 4.121 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c1 ZINC000185053164 1052379884 /nfs/dbraw/zinc/37/98/84/1052379884.db2.gz XXPGYWOTVBSWER-SFHVURJKSA-N 1 0 338.495 4.324 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCCCOCCc2ccccc2)c(O)c1 ZINC000185072955 1052392466 /nfs/dbraw/zinc/39/24/66/1052392466.db2.gz RJDVMTRGNVYQLW-SFHVURJKSA-N 1 0 327.468 4.391 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000185128699 1052449205 /nfs/dbraw/zinc/44/92/05/1052449205.db2.gz QBNLHJAQNSBLAC-JKSUJKDBSA-N 1 0 328.431 4.017 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245886 1052549654 /nfs/dbraw/zinc/54/96/54/1052549654.db2.gz TWAJGBFQALPOCR-HUUCEWRRSA-N 1 0 348.487 4.156 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000185546554 1052635036 /nfs/dbraw/zinc/63/50/36/1052635036.db2.gz KGPHZTMYYJQCJB-YRNRMSPPSA-N 1 0 344.524 4.496 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658757 1052665953 /nfs/dbraw/zinc/66/59/53/1052665953.db2.gz OMMRERIDZPWGKA-HBFSDRIKSA-N 1 0 338.495 4.404 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658781 1052666028 /nfs/dbraw/zinc/66/60/28/1052666028.db2.gz HUFIPQAXUWCIJO-JTDSTZFVSA-N 1 0 342.458 4.235 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cc(F)ccc1O ZINC000185721674 1052685556 /nfs/dbraw/zinc/68/55/56/1052685556.db2.gz VMPZDBZBJWEGEC-ZBEGNZNMSA-N 1 0 331.412 4.130 20 10 EICDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)CCCC2 ZINC000185943360 1052829417 /nfs/dbraw/zinc/82/94/17/1052829417.db2.gz NPTOROFEIGBEPX-ZDUSSCGKSA-N 1 0 326.396 4.030 20 10 EICDRO COc1cc(C)cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1O ZINC000764122071 1053032088 /nfs/dbraw/zinc/03/20/88/1053032088.db2.gz SMGZMKBNQQSVFU-UHFFFAOYSA-N 1 0 332.469 4.033 20 10 EICDRO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000764140152 1053034365 /nfs/dbraw/zinc/03/43/65/1053034365.db2.gz AIRIAQYWVPNITH-OAQYLSRUSA-N 1 0 342.458 4.245 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000850137006 1053075853 /nfs/dbraw/zinc/07/58/53/1053075853.db2.gz IBUQCCDGBMMJRC-UHFFFAOYSA-N 1 0 338.373 4.091 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cc4ccc(C)cc4[nH]3)CC2)cc1 ZINC000850117334 1053076660 /nfs/dbraw/zinc/07/66/60/1053076660.db2.gz ZESCKMSKBHXUHK-UHFFFAOYSA-N 1 0 349.478 4.244 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccncc1 ZINC000850155841 1053079526 /nfs/dbraw/zinc/07/95/26/1053079526.db2.gz BDRJWVALDKHIFY-SFHVURJKSA-N 1 0 328.456 4.334 20 10 EICDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1Cl ZINC000775610309 1053090471 /nfs/dbraw/zinc/09/04/71/1053090471.db2.gz NPMYDRPZODHJIV-SFHVURJKSA-N 1 0 337.822 4.130 20 10 EICDRO COc1cc(C[NH2+]C[C@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850222200 1053091843 /nfs/dbraw/zinc/09/18/43/1053091843.db2.gz SMACYZCTQLGIPJ-LBPRGKRZSA-N 1 0 346.471 4.196 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000764431137 1053098113 /nfs/dbraw/zinc/09/81/13/1053098113.db2.gz MGMWWGYGZDDNRK-MRXNPFEDSA-N 1 0 342.483 4.053 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000764435330 1053102730 /nfs/dbraw/zinc/10/27/30/1053102730.db2.gz ZLAGAJTXGBUSHE-LJQANCHMSA-N 1 0 342.483 4.053 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccn1 ZINC000850343214 1053124098 /nfs/dbraw/zinc/12/40/98/1053124098.db2.gz QXJMBPGGAFYCCG-ZDUSSCGKSA-N 1 0 337.389 4.060 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884075 1053144098 /nfs/dbraw/zinc/14/40/98/1053144098.db2.gz XFYBJOVWMXREGU-RTWAWAEBSA-N 1 0 338.495 4.431 20 10 EICDRO COc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000850381284 1053151357 /nfs/dbraw/zinc/15/13/57/1053151357.db2.gz ZVUFVMXFUAUXNU-KRWDZBQOSA-N 1 0 327.415 4.223 20 10 EICDRO Cc1cc(Br)c(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000850381186 1053154369 /nfs/dbraw/zinc/15/43/69/1053154369.db2.gz WCYHZVPCLUOCFF-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764545270 1053174299 /nfs/dbraw/zinc/17/42/99/1053174299.db2.gz SSBWRHQOJTYMLP-MRXNPFEDSA-N 1 0 344.886 4.070 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(C(F)F)nc1 ZINC000850430726 1053205605 /nfs/dbraw/zinc/20/56/05/1053205605.db2.gz OVMKBWFCWQJOJO-ZDUSSCGKSA-N 1 0 331.410 4.252 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000850437193 1053210019 /nfs/dbraw/zinc/21/00/19/1053210019.db2.gz ZYMPTUZDPGEUJI-CYBMUJFWSA-N 1 0 348.288 4.069 20 10 EICDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000764598256 1053223256 /nfs/dbraw/zinc/22/32/56/1053223256.db2.gz FVFIVOXZAPISFL-MRXNPFEDSA-N 1 0 344.886 4.070 20 10 EICDRO CC[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000764640341 1053246561 /nfs/dbraw/zinc/24/65/61/1053246561.db2.gz VOCUOKLIUOBTDP-IBGZPJMESA-N 1 0 336.483 4.233 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850474747 1053247825 /nfs/dbraw/zinc/24/78/25/1053247825.db2.gz QDSJZZLHGTWZLO-HOTGVXAUSA-N 1 0 337.467 4.484 20 10 EICDRO CSCC1(CC[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000850506155 1053263241 /nfs/dbraw/zinc/26/32/41/1053263241.db2.gz HMSFSBUDBQDULH-LLVKDONJSA-N 1 0 344.318 4.339 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511475 1053269482 /nfs/dbraw/zinc/26/94/82/1053269482.db2.gz FYAJPHKZGIFUPH-IUCAKERBSA-N 1 0 327.247 4.023 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764717572 1053277195 /nfs/dbraw/zinc/27/71/95/1053277195.db2.gz RUFNXXSAUKEMAU-LPHOPBHVSA-N 1 0 326.484 4.041 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523276 1053282786 /nfs/dbraw/zinc/28/27/86/1053282786.db2.gz FCYFXQBBUKGZMX-ICSRJNTNSA-N 1 0 337.463 4.367 20 10 EICDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)cc1O ZINC000850524195 1053284870 /nfs/dbraw/zinc/28/48/70/1053284870.db2.gz AMXQBKHAANJZKN-LLVKDONJSA-N 1 0 330.266 4.011 20 10 EICDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850537653 1053301760 /nfs/dbraw/zinc/30/17/60/1053301760.db2.gz WQOOUUKHUIHEOY-RNCFNFMXSA-N 1 0 334.204 4.241 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)c(O)c1C ZINC000850554426 1053309359 /nfs/dbraw/zinc/30/93/59/1053309359.db2.gz JKCZPSQJLJSFKV-DBVUQKKJSA-N 1 0 327.468 4.418 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850566756 1053319222 /nfs/dbraw/zinc/31/92/22/1053319222.db2.gz SCKPZKPLGUHKSN-OAHLLOKOSA-N 1 0 344.524 4.122 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)CC1 ZINC000850567126 1053320060 /nfs/dbraw/zinc/32/00/60/1053320060.db2.gz XAQSAJRRDSZZMX-SLFFLAALSA-N 1 0 342.527 4.096 20 10 EICDRO CC[C@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C)cc1O ZINC000794794949 1053378883 /nfs/dbraw/zinc/37/88/83/1053378883.db2.gz NMKVWVKYFZZBJU-SFHVURJKSA-N 1 0 337.467 4.490 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1O ZINC000776498353 1053380801 /nfs/dbraw/zinc/38/08/01/1053380801.db2.gz KDPKUSQEULFJOF-MRXNPFEDSA-N 1 0 347.842 4.448 20 10 EICDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000794797720 1053382385 /nfs/dbraw/zinc/38/23/85/1053382385.db2.gz QGGLVZHFELFSOW-IBGZPJMESA-N 1 0 346.515 4.169 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(C)cc1O ZINC000794791878 1053386338 /nfs/dbraw/zinc/38/63/38/1053386338.db2.gz JVTIWUMJRJGCRQ-FQEVSTJZSA-N 1 0 335.451 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793276 1053386923 /nfs/dbraw/zinc/38/69/23/1053386923.db2.gz NMFOPEVGIXYADL-QUCCMNQESA-N 1 0 335.451 4.264 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1O ZINC000794793381 1053387110 /nfs/dbraw/zinc/38/71/10/1053387110.db2.gz BEEURHIOASLZQU-KBXCAEBGSA-N 1 0 338.451 4.387 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1O ZINC000794804994 1053390888 /nfs/dbraw/zinc/39/08/88/1053390888.db2.gz OPICOQQPUCOLFX-RTBURBONSA-N 1 0 342.483 4.480 20 10 EICDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967898 1053403109 /nfs/dbraw/zinc/40/31/09/1053403109.db2.gz YXCRQTJVCARWFX-NYVOZVTQSA-N 1 0 341.543 4.344 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805669 1053409553 /nfs/dbraw/zinc/40/95/53/1053409553.db2.gz YKBSQEXBELIKPA-WOJBJXKFSA-N 1 0 349.478 4.459 20 10 EICDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423027 1053412103 /nfs/dbraw/zinc/41/21/03/1053412103.db2.gz BTGBCVRMOVOBTP-TZIWHRDSSA-N 1 0 342.527 4.171 20 10 EICDRO CC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(C)cc1O ZINC000794809649 1053415645 /nfs/dbraw/zinc/41/56/45/1053415645.db2.gz HGQQPTZCOMOWHW-INIZCTEOSA-N 1 0 341.430 4.010 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000109761568 1053420738 /nfs/dbraw/zinc/42/07/38/1053420738.db2.gz OPZIITWXJBFKSE-HXUWFJFHSA-N 1 0 348.446 4.122 20 10 EICDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C)cc1O ZINC000794811837 1053429193 /nfs/dbraw/zinc/42/91/93/1053429193.db2.gz ZCJWRVCGHUHCCR-IBGZPJMESA-N 1 0 338.451 4.474 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000794824633 1053429361 /nfs/dbraw/zinc/42/93/61/1053429361.db2.gz KTCNGOOSMJLYJW-MJGOQNOKSA-N 1 0 327.468 4.389 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1O ZINC000794820223 1053436079 /nfs/dbraw/zinc/43/60/79/1053436079.db2.gz ZFUFMIXCZDVWMP-WBVHZDCISA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1O ZINC000794828978 1053440268 /nfs/dbraw/zinc/44/02/68/1053440268.db2.gz QCOSDNPEYOAHEQ-FUHWJXTLSA-N 1 0 337.822 4.267 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1O ZINC000775665913 1053440881 /nfs/dbraw/zinc/44/08/81/1053440881.db2.gz NKYPFFMWLPFECP-LJQANCHMSA-N 1 0 329.415 4.021 20 10 EICDRO CCOc1cccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000120532667 1053492838 /nfs/dbraw/zinc/49/28/38/1053492838.db2.gz BWXGIKVELSAQNT-MRXNPFEDSA-N 1 0 347.480 4.034 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357451 1053513573 /nfs/dbraw/zinc/51/35/73/1053513573.db2.gz AKCCFHCCHMOCCF-CVEARBPZSA-N 1 0 334.891 4.184 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357453 1053514672 /nfs/dbraw/zinc/51/46/72/1053514672.db2.gz AKCCFHCCHMOCCF-HZPDHXFCSA-N 1 0 334.891 4.184 20 10 EICDRO CC(C)(C)c1csc(C[NH2+]CCCSc2nccs2)n1 ZINC000865469343 1053516470 /nfs/dbraw/zinc/51/64/70/1053516470.db2.gz UKJJWOLXXURBBF-UHFFFAOYSA-N 1 0 327.544 4.169 20 10 EICDRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765415823 1053538256 /nfs/dbraw/zinc/53/82/56/1053538256.db2.gz BEAJMFRHJZIYQH-MRXNPFEDSA-N 1 0 334.479 4.426 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000765444702 1053548238 /nfs/dbraw/zinc/54/82/38/1053548238.db2.gz DEDACRLUAQRJQJ-INIZCTEOSA-N 1 0 344.886 4.070 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 ZINC000765479048 1053561608 /nfs/dbraw/zinc/56/16/08/1053561608.db2.gz HRJIUQMUAIEARR-FQEVSTJZSA-N 1 0 336.479 4.245 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1N(C)C ZINC000765483041 1053568033 /nfs/dbraw/zinc/56/80/33/1053568033.db2.gz XDUDUEMJIKOKSF-OAHLLOKOSA-N 1 0 341.474 4.125 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000775693211 1053612128 /nfs/dbraw/zinc/61/21/28/1053612128.db2.gz WGAVLANLGWKUFY-GFCCVEGCSA-N 1 0 336.229 4.046 20 10 EICDRO COc1ccccc1C1([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902086 1053627847 /nfs/dbraw/zinc/62/78/47/1053627847.db2.gz LVWLHBMUAWQVIB-IUODEOHRSA-N 1 0 327.399 4.367 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)CC(F)(F)F)CC2)cc1 ZINC000853095948 1053644237 /nfs/dbraw/zinc/64/42/37/1053644237.db2.gz GRQQGSYSWZSRCP-UHFFFAOYSA-N 1 0 344.421 4.232 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853243173 1053658930 /nfs/dbraw/zinc/65/89/30/1053658930.db2.gz YMPINNHYTLUHCR-ZDUSSCGKSA-N 1 0 337.389 4.407 20 10 EICDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000866238415 1053661162 /nfs/dbraw/zinc/66/11/62/1053661162.db2.gz NIZJNTJBGBKLCT-FQEVSTJZSA-N 1 0 341.524 4.122 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000775727776 1053709381 /nfs/dbraw/zinc/70/93/81/1053709381.db2.gz KOLOICNERLELDA-KRWDZBQOSA-N 1 0 338.407 4.269 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000866410133 1053720532 /nfs/dbraw/zinc/72/05/32/1053720532.db2.gz WYJVKBQUSOKVIR-SJCJKPOMSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC001203307204 1053721784 /nfs/dbraw/zinc/72/17/84/1053721784.db2.gz NKODCRWZZIPZJS-TZIWHRDSSA-N 1 0 326.484 4.184 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486145 1053748803 /nfs/dbraw/zinc/74/88/03/1053748803.db2.gz ZPDXMLPGVUYMQX-BFVZDQMLSA-N 1 0 342.370 4.277 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000866485302 1053750433 /nfs/dbraw/zinc/75/04/33/1053750433.db2.gz OVKKXEKJGKJUMX-SUMWQHHRSA-N 1 0 339.439 4.401 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1OC(F)F ZINC000765607303 1053798768 /nfs/dbraw/zinc/79/87/68/1053798768.db2.gz AAZGNGKKULHJMM-NSHDSACASA-N 1 0 337.341 4.213 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612313 1053804769 /nfs/dbraw/zinc/80/47/69/1053804769.db2.gz GSCHFNFQVMYGHQ-DLBZAZTESA-N 1 0 326.488 4.212 20 10 EICDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC001196907680 1053806483 /nfs/dbraw/zinc/80/64/83/1053806483.db2.gz MNSWLFQZSZRWHX-UHFFFAOYSA-N 1 0 345.414 4.155 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1O ZINC000765679898 1053836048 /nfs/dbraw/zinc/83/60/48/1053836048.db2.gz IEMOUKAQPQQCRC-KRWDZBQOSA-N 1 0 340.250 4.005 20 10 EICDRO COc1ccc(COCCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765660382 1053836272 /nfs/dbraw/zinc/83/62/72/1053836272.db2.gz GELKVXQGDKMGHB-QGZVFWFLSA-N 1 0 342.483 4.019 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765683397 1053840700 /nfs/dbraw/zinc/84/07/00/1053840700.db2.gz MNZBMNXYYVCMRU-UTKZUKDTSA-N 1 0 330.516 4.269 20 10 EICDRO CCCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000113321782 1053923957 /nfs/dbraw/zinc/92/39/57/1053923957.db2.gz UWZCSNIQFZQDFX-UHFFFAOYSA-N 1 0 329.440 4.178 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000775835695 1054118599 /nfs/dbraw/zinc/11/85/99/1054118599.db2.gz HWTICSVBGDAACO-MRXNPFEDSA-N 1 0 348.450 4.186 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857060602 1054169286 /nfs/dbraw/zinc/16/92/86/1054169286.db2.gz VBJLMNONMPSGGV-MRXNPFEDSA-N 1 0 333.378 4.106 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857082450 1054173889 /nfs/dbraw/zinc/17/38/89/1054173889.db2.gz VOGSFTVMRKALOM-VHSXEESVSA-N 1 0 334.204 4.159 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1O ZINC000160962210 1054323805 /nfs/dbraw/zinc/32/38/05/1054323805.db2.gz VVSQRKRRCHLKEA-NHYWBVRUSA-N 1 0 326.278 4.474 20 10 EICDRO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000857878208 1054378052 /nfs/dbraw/zinc/37/80/52/1054378052.db2.gz UTYAYTKLNVWTHM-UHFFFAOYSA-N 1 0 333.435 4.017 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(OC(F)F)c1 ZINC001199275497 1054386504 /nfs/dbraw/zinc/38/65/04/1054386504.db2.gz JRVDZELAVXTWNK-CYBMUJFWSA-N 1 0 333.378 4.464 20 10 EICDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001199376834 1054400813 /nfs/dbraw/zinc/40/08/13/1054400813.db2.gz QJIYBQLMKVYCCL-FXAWDEMLSA-N 1 0 330.541 4.322 20 10 EICDRO Cc1cnc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)c(C)c1 ZINC000828062149 1054419018 /nfs/dbraw/zinc/41/90/18/1054419018.db2.gz CESHDLCCJGAGDE-UHFFFAOYSA-N 1 0 336.435 4.242 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000858119151 1054421789 /nfs/dbraw/zinc/42/17/89/1054421789.db2.gz MHBPPSGQSIRRDP-HNNXBMFYSA-N 1 0 348.240 4.158 20 10 EICDRO FC(F)(F)c1cc(C[NH2+]CCCSc2nccs2)cs1 ZINC000858141697 1054423424 /nfs/dbraw/zinc/42/34/24/1054423424.db2.gz QWXSPVJSTZSPSM-UHFFFAOYSA-N 1 0 338.445 4.495 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C1CCC(C(F)F)CC1 ZINC000858178054 1054431199 /nfs/dbraw/zinc/43/11/99/1054431199.db2.gz REDWDZCUKUKOHS-UHFFFAOYSA-N 1 0 334.204 4.068 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1O ZINC000775994485 1054433954 /nfs/dbraw/zinc/43/39/54/1054433954.db2.gz JDHDRXBITYJUFF-UHFFFAOYSA-N 1 0 331.843 4.434 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000858237658 1054443294 /nfs/dbraw/zinc/44/32/94/1054443294.db2.gz OMLKPVAEEKGEMC-UHFFFAOYSA-N 1 0 327.758 4.245 20 10 EICDRO COC(=O)/C(C)=C\C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012070 1054445817 /nfs/dbraw/zinc/44/58/17/1054445817.db2.gz XUPRCAOSUFBHGT-NOCRFKNCSA-N 1 0 339.435 4.075 20 10 EICDRO Cc1ncccc1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000858273996 1054453382 /nfs/dbraw/zinc/45/33/82/1054453382.db2.gz KAJROPKAFPXZIV-UHFFFAOYSA-N 1 0 337.492 4.378 20 10 EICDRO Cc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)c(C)n1-c1cccc(C)c1 ZINC000858292631 1054456283 /nfs/dbraw/zinc/45/62/83/1054456283.db2.gz CARRLQVZVLFJTF-UHFFFAOYSA-N 1 0 346.478 4.360 20 10 EICDRO CCc1ncc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000858293037 1054456396 /nfs/dbraw/zinc/45/63/96/1054456396.db2.gz IHQKAJJJZAUPEP-UHFFFAOYSA-N 1 0 334.467 4.045 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cccnc2OCCC)cc1C ZINC001199769184 1054466043 /nfs/dbraw/zinc/46/60/43/1054466043.db2.gz KCTIOTTZRIKIFA-UHFFFAOYSA-N 1 0 328.456 4.257 20 10 EICDRO c1cnc2cccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c2c1 ZINC000873014674 1054477395 /nfs/dbraw/zinc/47/73/95/1054477395.db2.gz CJTXUMWDRVVVBV-UHFFFAOYSA-N 1 0 349.503 4.078 20 10 EICDRO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc2ccccc2c1O ZINC000858452327 1054492683 /nfs/dbraw/zinc/49/26/83/1054492683.db2.gz KFYGFJYDVZINPF-NSHDSACASA-N 1 0 349.356 4.149 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc2ccccc2c1O ZINC000858453436 1054493132 /nfs/dbraw/zinc/49/31/32/1054493132.db2.gz LEOGWCFZLCRPPU-BEFAXECRSA-N 1 0 333.431 4.338 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000858448816 1054493453 /nfs/dbraw/zinc/49/34/53/1054493453.db2.gz GOQDMNXQDXLATN-OCCSQVGLSA-N 1 0 347.768 4.086 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000776042062 1054506240 /nfs/dbraw/zinc/50/62/40/1054506240.db2.gz OLKRNUUBZXESJN-MRXNPFEDSA-N 1 0 335.806 4.497 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858548950 1054515511 /nfs/dbraw/zinc/51/55/11/1054515511.db2.gz XRELNDZBCFCUMR-VCOUNFBDSA-N 1 0 337.463 4.223 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)c2ccccc2)c1O ZINC000776061112 1054520323 /nfs/dbraw/zinc/52/03/23/1054520323.db2.gz AIGVRLCTAMGTBE-UHFFFAOYSA-N 1 0 334.257 4.488 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000858604651 1054532763 /nfs/dbraw/zinc/53/27/63/1054532763.db2.gz NNESDINHQONMOO-FPOVZHCZSA-N 1 0 339.483 4.348 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000776110466 1054550242 /nfs/dbraw/zinc/55/02/42/1054550242.db2.gz RJIBKLFEUJQZIA-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1ccc2oc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cc2c1 ZINC000124581249 1054564338 /nfs/dbraw/zinc/56/43/38/1054564338.db2.gz CMKWRCGSOKLBRU-UHFFFAOYSA-N 1 0 336.435 4.114 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3(c4cccc(F)c4)CC3)CC2)cc1 ZINC000777058365 1054566411 /nfs/dbraw/zinc/56/64/11/1054566411.db2.gz DNIWGKLVJHZGSJ-UHFFFAOYSA-N 1 0 340.442 4.082 20 10 EICDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001201388373 1054786563 /nfs/dbraw/zinc/78/65/63/1054786563.db2.gz IMZGPADHCCABOM-UHFFFAOYSA-N 1 0 346.478 4.071 20 10 EICDRO CC[NH+]1CCN(c2ccc(Nc3ccc(NC(C)C)cc3)cc2)CC1 ZINC001201498351 1054820171 /nfs/dbraw/zinc/82/01/71/1054820171.db2.gz VFQHJBJPISZRLN-UHFFFAOYSA-N 1 0 338.499 4.392 20 10 EICDRO CC(C)Nc1ccc(Nc2ccc(F)cc2OCC[NH+](C)C)cc1 ZINC001201500252 1054822697 /nfs/dbraw/zinc/82/26/97/1054822697.db2.gz WMCAUYMBLBPPAT-UHFFFAOYSA-N 1 0 331.435 4.330 20 10 EICDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C3CC3)CCC2)ccc1N1CCCCC1 ZINC001201593855 1054859027 /nfs/dbraw/zinc/85/90/27/1054859027.db2.gz AVUUMWKKWQUJJN-UHFFFAOYSA-N 1 0 343.471 4.255 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)cc1 ZINC001201761235 1054899679 /nfs/dbraw/zinc/89/96/79/1054899679.db2.gz OPHVFOQVBIGPFN-NSISKUIASA-N 1 0 332.532 4.462 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cc1C ZINC001201786096 1054917875 /nfs/dbraw/zinc/91/78/75/1054917875.db2.gz GRROKRQLRQGGJQ-DOTOQJQBSA-N 1 0 333.497 4.447 20 10 EICDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201786886 1054920429 /nfs/dbraw/zinc/92/04/29/1054920429.db2.gz OTCLKACGTXDYQS-KKSFZXQISA-N 1 0 342.458 4.028 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1F ZINC001201871884 1054940795 /nfs/dbraw/zinc/94/07/95/1054940795.db2.gz BVTKXXZVSFHUBS-KKSFZXQISA-N 1 0 344.474 4.274 20 10 EICDRO Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1 ZINC000876752596 1054956738 /nfs/dbraw/zinc/95/67/38/1054956738.db2.gz UFQQIEBBXQKHMG-UHFFFAOYSA-N 1 0 327.268 4.017 20 10 EICDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2ccc(C)cc2O)c(C)c1 ZINC000877114147 1055021184 /nfs/dbraw/zinc/02/11/84/1055021184.db2.gz MBGPYFBHDJMNPW-HXUWFJFHSA-N 1 0 335.451 4.045 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c(Cl)c1 ZINC000862476117 1055072776 /nfs/dbraw/zinc/07/27/76/1055072776.db2.gz JDPBSEXIPFTVNR-AWEZNQCLSA-N 1 0 346.858 4.169 20 10 EICDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000776258136 1055079543 /nfs/dbraw/zinc/07/95/43/1055079543.db2.gz SODNFTBIUVGUDY-KRWDZBQOSA-N 1 0 339.479 4.338 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1O ZINC000862538767 1055080980 /nfs/dbraw/zinc/08/09/80/1055080980.db2.gz FKJNUPASJUQDGW-HNNXBMFYSA-N 1 0 338.234 4.485 20 10 EICDRO OCc1cccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)c1 ZINC000776264532 1055101659 /nfs/dbraw/zinc/10/16/59/1055101659.db2.gz JLJBYSVOLHSXSF-QFIPXVFZSA-N 1 0 347.458 4.348 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1O ZINC000877757380 1055114123 /nfs/dbraw/zinc/11/41/23/1055114123.db2.gz VPFPHJSJWHHUBN-ZDUSSCGKSA-N 1 0 330.453 4.017 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)c1OCC(F)(F)F)c1ccccc1O ZINC000877755653 1055114533 /nfs/dbraw/zinc/11/45/33/1055114533.db2.gz JYQCZVFCULOIOS-LLVKDONJSA-N 1 0 343.320 4.323 20 10 EICDRO CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000877757415 1055114641 /nfs/dbraw/zinc/11/46/41/1055114641.db2.gz ZLBDMYRQOPJHAT-GJZGRUSLSA-N 1 0 329.440 4.429 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)c(Cl)c1 ZINC000877756573 1055114990 /nfs/dbraw/zinc/11/49/90/1055114990.db2.gz UHHLGDTZZKKGAH-UONOGXRCSA-N 1 0 346.858 4.422 20 10 EICDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758226 1055116346 /nfs/dbraw/zinc/11/63/46/1055116346.db2.gz OBVJHRMEODOAFK-NSHDSACASA-N 1 0 327.453 4.138 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000877761426 1055117353 /nfs/dbraw/zinc/11/73/53/1055117353.db2.gz WMCHBJZKVVIKNC-VXGBXAGGSA-N 1 0 335.753 4.041 20 10 EICDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202323486 1055139452 /nfs/dbraw/zinc/13/94/52/1055139452.db2.gz WWGLEHJUXWVWCH-XJKSGUPXSA-N 1 0 337.305 4.328 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119345168 1055164211 /nfs/dbraw/zinc/16/42/11/1055164211.db2.gz JMKYFCWATUGWEK-NRFANRHFSA-N 1 0 340.515 4.430 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000776317462 1055196290 /nfs/dbraw/zinc/19/62/90/1055196290.db2.gz SUMPOHGARVPVFS-MRXNPFEDSA-N 1 0 344.499 4.272 20 10 EICDRO Fc1ccc(OCC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1Cl ZINC001202474579 1055253691 /nfs/dbraw/zinc/25/36/91/1055253691.db2.gz GWELKMGZQBYAPO-UHFFFAOYSA-N 1 0 348.849 4.248 20 10 EICDRO Cn1ccc(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000765791571 1055307788 /nfs/dbraw/zinc/30/77/88/1055307788.db2.gz QDKHUBJZUGWHKI-UHFFFAOYSA-N 1 0 329.488 4.011 20 10 EICDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)CCO2)cc1 ZINC001168619692 1055590906 /nfs/dbraw/zinc/59/09/06/1055590906.db2.gz ZTTFKSULPXDWST-NQIIRXRSSA-N 1 0 341.451 4.022 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CC1(C)C ZINC000785446395 1055695945 /nfs/dbraw/zinc/69/59/45/1055695945.db2.gz PSAGAWWNQNAOAU-SUMWQHHRSA-N 1 0 338.442 4.281 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c(O)c1C ZINC000903404784 1055712923 /nfs/dbraw/zinc/71/29/23/1055712923.db2.gz LZFJPQNDXWJDFD-HZPDHXFCSA-N 1 0 327.472 4.417 20 10 EICDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822356 1055740987 /nfs/dbraw/zinc/74/09/87/1055740987.db2.gz ZXMKIUFWMCVJRP-DNVCBOLYSA-N 1 0 326.488 4.258 20 10 EICDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822357 1055743223 /nfs/dbraw/zinc/74/32/23/1055743223.db2.gz ZXMKIUFWMCVJRP-HNAYVOBHSA-N 1 0 326.488 4.258 20 10 EICDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000765848433 1055872022 /nfs/dbraw/zinc/87/20/22/1055872022.db2.gz LUMPTTDOBGTREQ-HZPDHXFCSA-N 1 0 342.483 4.052 20 10 EICDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000765848431 1055872184 /nfs/dbraw/zinc/87/21/84/1055872184.db2.gz LUMPTTDOBGTREQ-CVEARBPZSA-N 1 0 342.483 4.052 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000765861866 1056022815 /nfs/dbraw/zinc/02/28/15/1056022815.db2.gz SSSGJLSFFNCDMD-LJQANCHMSA-N 1 0 327.472 4.177 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000765873538 1056040583 /nfs/dbraw/zinc/04/05/83/1056040583.db2.gz MMSDDUCNGUUXJQ-OAQYLSRUSA-N 1 0 330.516 4.218 20 10 EICDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000765907917 1056166954 /nfs/dbraw/zinc/16/69/54/1056166954.db2.gz JXYRVCDMJLSYAK-KRWDZBQOSA-N 1 0 341.474 4.413 20 10 EICDRO Cc1csc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CCCC2)n1 ZINC000921738413 1056294533 /nfs/dbraw/zinc/29/45/33/1056294533.db2.gz TXOHCXJEWRRTRT-UHFFFAOYSA-N 1 0 328.481 4.336 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1nc2c(s1)CCCC2 ZINC000091726499 1056750444 /nfs/dbraw/zinc/75/04/44/1056750444.db2.gz JQVDQRZNFMQDOU-LLVKDONJSA-N 1 0 339.555 4.311 20 10 EICDRO CCc1cnc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)s1 ZINC000742385354 1058587987 /nfs/dbraw/zinc/58/79/87/1058587987.db2.gz XOHCIADMQSQVFN-UHFFFAOYSA-N 1 0 338.476 4.410 20 10 EICDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000742374216 1058600116 /nfs/dbraw/zinc/60/01/16/1058600116.db2.gz QVXLOHSQYLKLKO-PMACEKPBSA-N 1 0 328.500 4.114 20 10 EICDRO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)cc1 ZINC000742380183 1058605211 /nfs/dbraw/zinc/60/52/11/1058605211.db2.gz LVJBEDRDUUTOKZ-OAHLLOKOSA-N 1 0 330.859 4.113 20 10 EICDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395462 1058972767 /nfs/dbraw/zinc/97/27/67/1058972767.db2.gz SFARAKQLKAYTOB-INIZCTEOSA-N 1 0 338.451 4.208 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1 ZINC000743629657 1059069234 /nfs/dbraw/zinc/06/92/34/1059069234.db2.gz YDJBFEAIBBXHPX-UHFFFAOYSA-N 1 0 348.446 4.155 20 10 EICDRO Cc1cc(C[NH2+]Cc2nc3ccccc3n2C)c(C)n1-c1ccccc1 ZINC000743768022 1059114413 /nfs/dbraw/zinc/11/44/13/1059114413.db2.gz XHZMEOOUNLGIBR-UHFFFAOYSA-N 1 0 344.462 4.271 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869808 1059187827 /nfs/dbraw/zinc/18/78/27/1059187827.db2.gz AUBIASUQPSJPGK-KRWDZBQOSA-N 1 0 346.515 4.174 20 10 EICDRO CC[N@H+](Cc1ccccc1F)Cc1cc(Br)ccc1O ZINC000743870793 1059190892 /nfs/dbraw/zinc/19/08/92/1059190892.db2.gz BHERMFWLBXWIJY-UHFFFAOYSA-N 1 0 338.220 4.316 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870392 1059193501 /nfs/dbraw/zinc/19/35/01/1059193501.db2.gz QCTJUMHXEGYGIU-KRWDZBQOSA-N 1 0 340.467 4.046 20 10 EICDRO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C(C)C ZINC000744440592 1059513173 /nfs/dbraw/zinc/51/31/73/1059513173.db2.gz PXAPGSLERMVDTD-MOPGFXCFSA-N 1 0 330.516 4.271 20 10 EICDRO COc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1C ZINC000745175424 1059779900 /nfs/dbraw/zinc/77/99/00/1059779900.db2.gz DUWCBNJCAJLTKE-UHFFFAOYSA-N 1 0 328.843 4.471 20 10 EICDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766340025 1060091700 /nfs/dbraw/zinc/09/17/00/1060091700.db2.gz OOSRXDFNCZIWBI-SJORKVTESA-N 1 0 336.495 4.265 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766539042 1060515177 /nfs/dbraw/zinc/51/51/77/1060515177.db2.gz UBXOKBULRRVAFX-RYRKJORJSA-N 1 0 345.506 4.092 20 10 EICDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766580371 1060620934 /nfs/dbraw/zinc/62/09/34/1060620934.db2.gz DZAXVHZHSJVTRZ-IKGGRYGDSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(-c2cccnc2)nc(C)n1 ZINC001169684723 1060897901 /nfs/dbraw/zinc/89/79/01/1060897901.db2.gz KWBDPTJQZVLYTK-SFHVURJKSA-N 1 0 345.450 4.087 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000691429567 1060951510 /nfs/dbraw/zinc/95/15/10/1060951510.db2.gz QOFITAHVYIPDKV-SECBINFHSA-N 1 0 340.183 4.223 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000038039088 202092930 /nfs/dbraw/zinc/09/29/30/202092930.db2.gz FNUBNLJXRICHNG-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO CCOCc1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc1OC ZINC000729685642 1032366044 /nfs/dbraw/zinc/36/60/44/1032366044.db2.gz HQMPTSTUBLPOAV-UHFFFAOYSA-N 1 0 329.415 4.150 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCCO1 ZINC000529516338 1032414456 /nfs/dbraw/zinc/41/44/56/1032414456.db2.gz IRQVCEVDBZBSRZ-IBGZPJMESA-N 1 0 336.435 4.055 20 10 EICDRO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000383167549 1018852402 /nfs/dbraw/zinc/85/24/02/1018852402.db2.gz ROMDUYXQBMEOLX-GFCCVEGCSA-N 1 0 334.204 4.241 20 10 EICDRO CC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1O ZINC000274748241 1019166796 /nfs/dbraw/zinc/16/67/96/1019166796.db2.gz GXPVXEATLXPZHP-BIXGBWIQSA-N 1 0 325.452 4.263 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000382435582 1019267514 /nfs/dbraw/zinc/26/75/14/1019267514.db2.gz VNCVOOCFSMGMES-ZOBUZTSGSA-N 1 0 348.487 4.126 20 10 EICDRO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(N(C)C)cc1 ZINC000274777237 1019445994 /nfs/dbraw/zinc/44/59/94/1019445994.db2.gz OGGAPRHLUHRTQN-CYBMUJFWSA-N 1 0 342.874 4.144 20 10 EICDRO Cc1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000748081669 1019643697 /nfs/dbraw/zinc/64/36/97/1019643697.db2.gz BWQGHCAGWALOGV-UHFFFAOYSA-N 1 0 332.532 4.304 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000155333511 1020496903 /nfs/dbraw/zinc/49/69/03/1020496903.db2.gz OTPGFCZZXGXNPT-HNAYVOBHSA-N 1 0 342.508 4.313 20 10 EICDRO Oc1cccc(Br)c1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001140102969 1020655920 /nfs/dbraw/zinc/65/59/20/1020655920.db2.gz BJPCSZFXQQKJAI-LBPRGKRZSA-N 1 0 342.252 4.259 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC000310661572 1021495992 /nfs/dbraw/zinc/49/59/92/1021495992.db2.gz ZIBKHRVTOSEILF-ZOBUZTSGSA-N 1 0 348.487 4.221 20 10 EICDRO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177742317 1021637334 /nfs/dbraw/zinc/63/73/34/1021637334.db2.gz BBFIQQPCJCJTQI-HUUCEWRRSA-N 1 0 348.487 4.006 20 10 EICDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000177852778 1021744537 /nfs/dbraw/zinc/74/45/37/1021744537.db2.gz MSITYGCFCBVNJE-HNNXBMFYSA-N 1 0 344.478 4.131 20 10 EICDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000177852785 1021744716 /nfs/dbraw/zinc/74/47/16/1021744716.db2.gz MSITYGCFCBVNJE-OAHLLOKOSA-N 1 0 344.478 4.131 20 10 EICDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C)cc1O ZINC000279947556 1033023068 /nfs/dbraw/zinc/02/30/68/1033023068.db2.gz BNMMPZOIDHGMGX-IBGZPJMESA-N 1 0 335.451 4.342 20 10 EICDRO CCOc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c(O)c1 ZINC000725850044 1021978931 /nfs/dbraw/zinc/97/89/31/1021978931.db2.gz GRIOBGLCYAQDMT-UHFFFAOYSA-N 1 0 344.842 4.258 20 10 EICDRO CC[C@@H](c1ccccc1O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905095 1022085712 /nfs/dbraw/zinc/08/57/12/1022085712.db2.gz HGKYVWCMIGVAMA-YOEHRIQHSA-N 1 0 340.471 4.169 20 10 EICDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728301862 1022246845 /nfs/dbraw/zinc/24/68/45/1022246845.db2.gz PMZQJHLOLUYBIM-HKUYNNGSSA-N 1 0 334.479 4.111 20 10 EICDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cc(OC(F)(F)F)c1 ZINC001143468925 1022384125 /nfs/dbraw/zinc/38/41/25/1022384125.db2.gz NNWBEDOPRQQOEL-UHFFFAOYSA-N 1 0 325.330 4.231 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000387870279 1022839057 /nfs/dbraw/zinc/83/90/57/1022839057.db2.gz QTAVCEZNGBNNNH-UHFFFAOYSA-N 1 0 347.506 4.241 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859308 1022861683 /nfs/dbraw/zinc/86/16/83/1022861683.db2.gz FKKHRLIQFXSOSJ-KHYOSLBOSA-N 1 0 330.497 4.106 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000363858576 1022863366 /nfs/dbraw/zinc/86/33/66/1022863366.db2.gz DYCZRSUHWHCGAI-ZDUSSCGKSA-N 1 0 341.842 4.297 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3c(C)cc(C)cc32)c1 ZINC000363862414 1022865906 /nfs/dbraw/zinc/86/59/06/1022865906.db2.gz IWLUUXMBPJBOHP-KSSFIOAISA-N 1 0 327.424 4.192 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000185157188 1023014311 /nfs/dbraw/zinc/01/43/11/1023014311.db2.gz YTONRFSRJHZMPU-JKSUJKDBSA-N 1 0 338.451 4.239 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC000185241537 1023023120 /nfs/dbraw/zinc/02/31/20/1023023120.db2.gz IZDKKQCRJWTJHX-INIZCTEOSA-N 1 0 344.524 4.325 20 10 EICDRO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000255298021 1023061772 /nfs/dbraw/zinc/06/17/72/1023061772.db2.gz BNNDFWKQAPTRIH-CTEOGUNLSA-N 1 0 340.442 4.026 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166622563 1023114854 /nfs/dbraw/zinc/11/48/54/1023114854.db2.gz DPIMDABUPSSVIB-XMSQKQJNSA-N 1 0 338.495 4.319 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188265894 1023174492 /nfs/dbraw/zinc/17/44/92/1023174492.db2.gz QOILCGUQJOXCGG-OAQYLSRUSA-N 1 0 328.500 4.068 20 10 EICDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)c(O)c1OC ZINC000892861337 1023455924 /nfs/dbraw/zinc/45/59/24/1023455924.db2.gz UUCMCENWVASFCU-UHFFFAOYSA-N 1 0 335.831 4.088 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)cc1OCCCOC)c1ccccc1O ZINC000156310500 1023459695 /nfs/dbraw/zinc/45/96/95/1023459695.db2.gz YTCUSRXWJZLILH-IBGZPJMESA-N 1 0 343.467 4.357 20 10 EICDRO C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992631 1023498409 /nfs/dbraw/zinc/49/84/09/1023498409.db2.gz IAMQMNPBVICZFM-IIBYNOLFSA-N 1 0 342.458 4.094 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000377761421 1023744422 /nfs/dbraw/zinc/74/44/22/1023744422.db2.gz LNYSXPQGQXGHBH-LJQANCHMSA-N 1 0 343.854 4.229 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756736695 1024255293 /nfs/dbraw/zinc/25/52/93/1024255293.db2.gz CKHGKVIHYZCVOE-MEDUHNTESA-N 1 0 340.250 4.392 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1O ZINC000756738138 1024259276 /nfs/dbraw/zinc/25/92/76/1024259276.db2.gz JOAFUYONVJEONN-RFAUZJTJSA-N 1 0 344.213 4.222 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1C(C)C ZINC000176118559 1024425649 /nfs/dbraw/zinc/42/56/49/1024425649.db2.gz ODXMLCFOYLLHOS-DEOSSOPVSA-N 1 0 345.508 4.193 20 10 EICDRO CC[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000162875655 1024960694 /nfs/dbraw/zinc/96/06/94/1024960694.db2.gz LLWZXEZTDSVRAM-LJQANCHMSA-N 1 0 326.488 4.081 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000128524644 1025000872 /nfs/dbraw/zinc/00/08/72/1025000872.db2.gz OLFFKGKBFQRUIQ-QGZVFWFLSA-N 1 0 335.451 4.273 20 10 EICDRO Oc1ccccc1CN(Cc1cccc(F)c1Cl)C[C@@H]1CCCO1 ZINC001167982935 1026419428 /nfs/dbraw/zinc/41/94/28/1026419428.db2.gz HMMDTUURTUUZDJ-INIZCTEOSA-N 1 0 349.833 4.366 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450534 1026436210 /nfs/dbraw/zinc/43/62/10/1026436210.db2.gz IGKGIPYWMPKYGB-RKDXNWHRSA-N 1 0 346.374 4.288 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000108094617 1026794865 /nfs/dbraw/zinc/79/48/65/1026794865.db2.gz VZYDLPXSLLWBHL-UHFFFAOYSA-N 1 0 348.849 4.200 20 10 EICDRO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(C)c(C)cc2O)c(C)c1 ZINC000119936199 1027415552 /nfs/dbraw/zinc/41/55/52/1027415552.db2.gz HKHZAZZZWIINJQ-UHFFFAOYSA-N 1 0 340.467 4.005 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178684613 1027509511 /nfs/dbraw/zinc/50/95/11/1027509511.db2.gz MGCXCLWRRFMGSE-GJZGRUSLSA-N 1 0 327.428 4.463 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382461036 1027665568 /nfs/dbraw/zinc/66/55/68/1027665568.db2.gz WAWXMNRBQUQROZ-JYJNAYRXSA-N 1 0 348.487 4.045 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000840930241 1027778877 /nfs/dbraw/zinc/77/88/77/1027778877.db2.gz HYUANGOOPPMFCY-UNMCSNQZSA-N 1 0 338.495 4.319 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000327320037 1027859834 /nfs/dbraw/zinc/85/98/34/1027859834.db2.gz UPNFLFVZVBQNTA-OXQOHEQNSA-N 1 0 342.483 4.135 20 10 EICDRO CC[C@@H]([NH2+]Cc1sccc1Br)c1ccccc1O ZINC000148049432 1027862157 /nfs/dbraw/zinc/86/21/57/1027862157.db2.gz FTVPYJGNFLAJSC-GFCCVEGCSA-N 1 0 326.259 4.457 20 10 EICDRO Fc1cncc([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)c1 ZINC000281305430 1028500948 /nfs/dbraw/zinc/50/09/48/1028500948.db2.gz RNZHTAWUORFRED-HXUWFJFHSA-N 1 0 325.431 4.062 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000161843258 1029070567 /nfs/dbraw/zinc/07/05/67/1029070567.db2.gz MTQVVSUEOBUGNT-INIZCTEOSA-N 1 0 340.467 4.155 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)nc1C ZINC000840783680 1029280515 /nfs/dbraw/zinc/28/05/15/1029280515.db2.gz MDMYDOCCNBLJBV-ZDUSSCGKSA-N 1 0 349.272 4.326 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3cccnc32)c1O ZINC000897072016 1029341813 /nfs/dbraw/zinc/34/18/13/1029341813.db2.gz SMONOBHYZDGMSI-OAHLLOKOSA-N 1 0 347.256 4.025 20 10 EICDRO COCC[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000840835833 1029530265 /nfs/dbraw/zinc/53/02/65/1029530265.db2.gz QZNZUACSDGZCBP-PXNSSMCTSA-N 1 0 327.468 4.328 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)ccc1O ZINC000185134146 1030116356 /nfs/dbraw/zinc/11/63/56/1030116356.db2.gz AAAJWXBIMZIVJV-LBPRGKRZSA-N 1 0 345.805 4.221 20 10 EICDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1F ZINC000185135003 1030117240 /nfs/dbraw/zinc/11/72/40/1030117240.db2.gz ZCZUXGDQLPKVGQ-GFCCVEGCSA-N 1 0 343.377 4.015 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000526988395 1030380867 /nfs/dbraw/zinc/38/08/67/1030380867.db2.gz XAERIDDLQLIZBN-UHFFFAOYSA-N 1 0 342.446 4.234 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)OC)c1 ZINC000527923440 1030919455 /nfs/dbraw/zinc/91/94/55/1030919455.db2.gz DBCQCTXPDVVGRG-XZOAIXRZSA-N 1 0 345.414 4.066 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)OC)c1 ZINC000527924345 1030921454 /nfs/dbraw/zinc/92/14/54/1030921454.db2.gz GRKJQCCZPWWTHU-BEFAXECRSA-N 1 0 329.440 4.056 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)OC)c1 ZINC000527933236 1030975165 /nfs/dbraw/zinc/97/51/65/1030975165.db2.gz ZTCFIJVKGGIFKA-SGTLLEGYSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)OC)c1 ZINC000527933234 1030975487 /nfs/dbraw/zinc/97/54/87/1030975487.db2.gz ZTCFIJVKGGIFKA-KZULUSFZSA-N 1 0 335.831 4.093 20 10 EICDRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000310051352 1030998659 /nfs/dbraw/zinc/99/86/59/1030998659.db2.gz IZXHHFHKVOZFAN-HUUCEWRRSA-N 1 0 336.476 4.126 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C2CC2)cn1 ZINC000528042265 1031059153 /nfs/dbraw/zinc/05/91/53/1031059153.db2.gz CPUHMWGAWVTTCE-ZMZPIMSZSA-N 1 0 332.831 4.251 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C2CC2)cn1 ZINC000528043647 1031060968 /nfs/dbraw/zinc/06/09/68/1031060968.db2.gz OZTVDKODSXACIJ-BGFJZZDESA-N 1 0 342.414 4.224 20 10 EICDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000740898139 1031371652 /nfs/dbraw/zinc/37/16/52/1031371652.db2.gz FCYFPYACEUVETQ-GJZGRUSLSA-N 1 0 335.532 4.484 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC001168243461 1031426359 /nfs/dbraw/zinc/42/63/59/1031426359.db2.gz DZVUYNSMNUHCGL-LNLFQRSKSA-N 1 0 325.452 4.380 20 10 EICDRO [O-]c1c(Br)cccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000725844470 1031629669 /nfs/dbraw/zinc/62/96/69/1031629669.db2.gz YUTHKRBONWLZNB-AWEZNQCLSA-N 1 0 338.270 4.457 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1O ZINC000280058462 1035139105 /nfs/dbraw/zinc/13/91/05/1035139105.db2.gz KEQXWWSWLCJCJJ-IGMHASDESA-N 1 0 331.481 4.240 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(C)cc1O ZINC000280044444 1035144064 /nfs/dbraw/zinc/14/40/64/1035144064.db2.gz JFBJDNWGVNAATQ-HXUWFJFHSA-N 1 0 335.451 4.186 20 10 EICDRO CC[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C)cc1O ZINC000280256320 1035212506 /nfs/dbraw/zinc/21/25/06/1035212506.db2.gz WXLODJIPELIDBQ-FQEVSTJZSA-N 1 0 349.478 4.381 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1O ZINC000280263992 1035214687 /nfs/dbraw/zinc/21/46/87/1035214687.db2.gz XKLSLSYCEFVCNJ-IBGZPJMESA-N 1 0 338.451 4.068 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000227439603 1035797824 /nfs/dbraw/zinc/79/78/24/1035797824.db2.gz GDWGAIAYFBLNQN-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1O ZINC000761193422 1036006045 /nfs/dbraw/zinc/00/60/45/1036006045.db2.gz BLDGATHFOQCRMZ-SFHVURJKSA-N 1 0 347.842 4.018 20 10 EICDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000761196029 1036022200 /nfs/dbraw/zinc/02/22/00/1036022200.db2.gz SMPPGWBWPNPEEC-AWEZNQCLSA-N 1 0 347.842 4.052 20 10 EICDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874119 1036426593 /nfs/dbraw/zinc/42/65/93/1036426593.db2.gz MJGPESYAAKJZOS-SFHVURJKSA-N 1 0 340.467 4.436 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000165961222 1037029206 /nfs/dbraw/zinc/02/92/06/1037029206.db2.gz LFIBPXRNZAGHSW-GOSISDBHSA-N 1 0 328.456 4.011 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(Cl)c1 ZINC000171146994 1037161437 /nfs/dbraw/zinc/16/14/37/1037161437.db2.gz YFILJRPQRNSIQJ-UHFFFAOYSA-N 1 0 329.875 4.357 20 10 EICDRO Cc1n[nH]cc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000171384299 1037365697 /nfs/dbraw/zinc/36/56/97/1037365697.db2.gz KSVDAVXVLRJIQW-UHFFFAOYSA-N 1 0 329.488 4.309 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000163593113 1037381452 /nfs/dbraw/zinc/38/14/52/1037381452.db2.gz AQHRXSGIXQOJOX-AWEZNQCLSA-N 1 0 348.462 4.369 20 10 EICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273296577 1037401263 /nfs/dbraw/zinc/40/12/63/1037401263.db2.gz AIASTEHHOQLCKL-CABCVRRESA-N 1 0 326.440 4.379 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c(O)c1C ZINC000273382828 1037446590 /nfs/dbraw/zinc/44/65/90/1037446590.db2.gz IRWFECAOEBUVTD-QGZVFWFLSA-N 1 0 339.483 4.245 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(O)c1C ZINC000273415736 1037460926 /nfs/dbraw/zinc/46/09/26/1037460926.db2.gz QTRGDILGDUREBT-LSDHHAIUSA-N 1 0 327.424 4.192 20 10 EICDRO CCOCCOCc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000273435730 1037463653 /nfs/dbraw/zinc/46/36/53/1037463653.db2.gz WYHHIGBYGFMDLV-QGZVFWFLSA-N 1 0 343.467 4.105 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000273468787 1037473807 /nfs/dbraw/zinc/47/38/07/1037473807.db2.gz ROQQTGKKWAJHNM-NQYLQCIDSA-N 1 0 329.415 4.411 20 10 EICDRO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1cc(F)ccc1O ZINC000273474216 1037478286 /nfs/dbraw/zinc/47/82/86/1037478286.db2.gz KHPOQHAYAQQZSO-SECBINFHSA-N 1 0 329.293 4.123 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1C ZINC000273529570 1037493751 /nfs/dbraw/zinc/49/37/51/1037493751.db2.gz VYEDHTXHFHXHKG-NPGVVQFXSA-N 1 0 331.481 4.158 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000760872187 1037553266 /nfs/dbraw/zinc/55/32/66/1037553266.db2.gz ZKGYUNLGRZFHGF-JMERFSKESA-N 1 0 349.858 4.481 20 10 EICDRO CC[C@H](Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1O ZINC000157484712 1037593506 /nfs/dbraw/zinc/59/35/06/1037593506.db2.gz WAENHQVSGVJOSK-SFHVURJKSA-N 1 0 339.483 4.097 20 10 EICDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000760896065 1037647942 /nfs/dbraw/zinc/64/79/42/1037647942.db2.gz CWHVMVRUQLTKIY-AWEZNQCLSA-N 1 0 335.451 4.009 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)C ZINC000157746717 1037930296 /nfs/dbraw/zinc/93/02/96/1037930296.db2.gz PBNCWYSCYPDXSA-CYBMUJFWSA-N 1 0 326.431 4.281 20 10 EICDRO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CC2 ZINC000163611757 1038004796 /nfs/dbraw/zinc/00/47/96/1038004796.db2.gz FVXYMULWSGDDJA-FQEVSTJZSA-N 1 0 342.483 4.156 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000163625824 1038410300 /nfs/dbraw/zinc/41/03/00/1038410300.db2.gz QHRBBYTYXQHVJJ-OAHLLOKOSA-N 1 0 330.472 4.230 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000075758049 1038844776 /nfs/dbraw/zinc/84/47/76/1038844776.db2.gz PYVLSNXJNCDBLX-UHFFFAOYSA-N 1 0 348.494 4.067 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C ZINC000174296813 1038897353 /nfs/dbraw/zinc/89/73/53/1038897353.db2.gz DEEVZEVHLJMUQG-NRFANRHFSA-N 1 0 339.435 4.021 20 10 EICDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925006952 1041155245 /nfs/dbraw/zinc/15/52/45/1041155245.db2.gz GIUYAEZHTNJUPW-HNNXBMFYSA-N 1 0 327.472 4.379 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c(O)c1 ZINC000366672385 1041834513 /nfs/dbraw/zinc/83/45/13/1041834513.db2.gz BIJYTFQBAAATEF-HNNXBMFYSA-N 1 0 330.497 4.077 20 10 EICDRO CC[C@H]([NH2+]CC1(COC)CCC1)c1cc(Br)ccc1O ZINC000312424822 1042138548 /nfs/dbraw/zinc/13/85/48/1042138548.db2.gz AHDXSVFZZXNLRZ-AWEZNQCLSA-N 1 0 342.277 4.012 20 10 EICDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1O ZINC000761504918 1042874099 /nfs/dbraw/zinc/87/40/99/1042874099.db2.gz APOPQDGELQYEBY-UHFFFAOYSA-N 1 0 334.803 4.366 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(N(C)C)cc1 ZINC000766030607 1043061593 /nfs/dbraw/zinc/06/15/93/1043061593.db2.gz UUXRTHZBBGGDDO-OAQYLSRUSA-N 1 0 325.500 4.368 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000785470300 1043205634 /nfs/dbraw/zinc/20/56/34/1043205634.db2.gz MSJFYWZEAVUTLY-UHFFFAOYSA-N 1 0 327.453 4.067 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163639280 1043254611 /nfs/dbraw/zinc/25/46/11/1043254611.db2.gz WEAKCTVFOOTOHU-DLBZAZTESA-N 1 0 345.531 4.021 20 10 EICDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000766054410 1043309910 /nfs/dbraw/zinc/30/99/10/1043309910.db2.gz VQEQFQQSAHBZPB-AWEZNQCLSA-N 1 0 325.431 4.266 20 10 EICDRO CCC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1 ZINC000730256240 1043485885 /nfs/dbraw/zinc/48/58/85/1043485885.db2.gz ZELQFSPOKJHUPU-KRWDZBQOSA-N 1 0 335.488 4.176 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765970800 1043554967 /nfs/dbraw/zinc/55/49/67/1043554967.db2.gz RBKNPUHFFDVQGW-ZIAGYGMSSA-N 1 0 338.455 4.136 20 10 EICDRO c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922140798 1043634099 /nfs/dbraw/zinc/63/40/99/1043634099.db2.gz YJHKGGQGGOWINO-JOCHJYFZSA-N 1 0 349.474 4.195 20 10 EICDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153143390 1043881186 /nfs/dbraw/zinc/88/11/86/1043881186.db2.gz CZUMEMJQVAFPDA-UTKZUKDTSA-N 1 0 336.479 4.170 20 10 EICDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153143576 1043881260 /nfs/dbraw/zinc/88/12/60/1043881260.db2.gz CZUMEMJQVAFPDA-DYESRHJHSA-N 1 0 336.479 4.170 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000732184033 1043882273 /nfs/dbraw/zinc/88/22/73/1043882273.db2.gz DLXOFCQFJJDIPX-UONOGXRCSA-N 1 0 329.440 4.017 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)s1 ZINC000732202641 1043887862 /nfs/dbraw/zinc/88/78/62/1043887862.db2.gz AFQIRIXNBBVGQM-SFHVURJKSA-N 1 0 331.481 4.252 20 10 EICDRO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)oc1C ZINC000732204278 1043887938 /nfs/dbraw/zinc/88/79/38/1043887938.db2.gz HOWFVJJPXHSWTH-UHFFFAOYSA-N 1 0 343.423 4.025 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](c3ccccn3)C(C)C)CC2)cc1 ZINC000766082402 1043930549 /nfs/dbraw/zinc/93/05/49/1043930549.db2.gz RZWBCCHDDIMXKT-NRFANRHFSA-N 1 0 339.483 4.046 20 10 EICDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000732820762 1044013809 /nfs/dbraw/zinc/01/38/09/1044013809.db2.gz OQGUKENOBQBWDK-QFIPXVFZSA-N 1 0 336.479 4.073 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000732919291 1044035030 /nfs/dbraw/zinc/03/50/30/1044035030.db2.gz AFXXWUKNJPWODK-AWEZNQCLSA-N 1 0 346.421 4.293 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1F ZINC000733326192 1044190657 /nfs/dbraw/zinc/19/06/57/1044190657.db2.gz MVCRDKBZOMIKKA-UHFFFAOYSA-N 1 0 345.849 4.359 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000733327891 1044192581 /nfs/dbraw/zinc/19/25/81/1044192581.db2.gz DZNPQKCHWMVTAS-UHFFFAOYSA-N 1 0 345.748 4.233 20 10 EICDRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734510446 1044593068 /nfs/dbraw/zinc/59/30/68/1044593068.db2.gz WGIOSILKTDPFLD-SFHVURJKSA-N 1 0 330.516 4.362 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000734639493 1044627133 /nfs/dbraw/zinc/62/71/33/1044627133.db2.gz NOZVAWAHSQDPAF-JOCHJYFZSA-N 1 0 338.495 4.279 20 10 EICDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[C@H](C)CC[NH2+]3)n2)cc1 ZINC001211880580 1044663564 /nfs/dbraw/zinc/66/35/64/1044663564.db2.gz INLIEWCDYSLUDY-ACJLOTCBSA-N 1 0 336.439 4.205 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000734848354 1044699290 /nfs/dbraw/zinc/69/92/90/1044699290.db2.gz FLCBNQGHMXPVBP-FQEVSTJZSA-N 1 0 344.474 4.012 20 10 EICDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000706854176 1044783227 /nfs/dbraw/zinc/78/32/27/1044783227.db2.gz SKHQDMSHRYISCJ-SECBINFHSA-N 1 0 340.183 4.223 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000706841576 1044790701 /nfs/dbraw/zinc/79/07/01/1044790701.db2.gz AAHOSAUXPRCYEJ-SNVBAGLBSA-N 1 0 334.204 4.070 20 10 EICDRO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Nc1ccccc1 ZINC000735676621 1044854979 /nfs/dbraw/zinc/85/49/79/1044854979.db2.gz WKXNNPQEQAKYLD-IBGZPJMESA-N 1 0 329.463 4.118 20 10 EICDRO Cc1cnc(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)s1 ZINC000762158259 1044990069 /nfs/dbraw/zinc/99/00/69/1044990069.db2.gz NTZFMBVYGPGJSO-UHFFFAOYSA-N 1 0 342.508 4.416 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165089 1045004897 /nfs/dbraw/zinc/00/48/97/1045004897.db2.gz CKWQLXHBBDBKEW-HBFSDRIKSA-N 1 0 329.532 4.200 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CCO2 ZINC000186695913 1045142343 /nfs/dbraw/zinc/14/23/43/1045142343.db2.gz FZTPEVDLLLIBKW-KSSFIOAISA-N 1 0 327.424 4.274 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1F ZINC000740004430 1045174631 /nfs/dbraw/zinc/17/46/31/1045174631.db2.gz NAWPIVJDMLQOBA-HNNXBMFYSA-N 1 0 330.447 4.098 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)c1ccsc1 ZINC000915228793 1045194963 /nfs/dbraw/zinc/19/49/63/1045194963.db2.gz DXCMWWRHLVLUGY-SFHVURJKSA-N 1 0 332.513 4.238 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000915228272 1045198411 /nfs/dbraw/zinc/19/84/11/1045198411.db2.gz WQAPHVQJGLKUOK-JOCHJYFZSA-N 1 0 338.495 4.372 20 10 EICDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001168490068 1045228509 /nfs/dbraw/zinc/22/85/09/1045228509.db2.gz HEROVMOWTVRXSW-KRWDZBQOSA-N 1 0 326.459 4.489 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000915805716 1045469788 /nfs/dbraw/zinc/46/97/88/1045469788.db2.gz WZTADQZDSZEANE-UHFFFAOYSA-N 1 0 329.440 4.036 20 10 EICDRO Cc1cccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000767928873 1045684839 /nfs/dbraw/zinc/68/48/39/1045684839.db2.gz XYSPTZBSPVJRRE-JOCHJYFZSA-N 1 0 333.431 4.191 20 10 EICDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742725082 1045704555 /nfs/dbraw/zinc/70/45/55/1045704555.db2.gz ZYWJJKXUVWAIGB-CYBMUJFWSA-N 1 0 335.369 4.361 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1nccc2ccccc21)C[C@H]1CCCO1 ZINC000768161575 1045730055 /nfs/dbraw/zinc/73/00/55/1045730055.db2.gz HEKITJQOXPPKIR-LJQANCHMSA-N 1 0 348.446 4.122 20 10 EICDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)cc1 ZINC000768199113 1045738719 /nfs/dbraw/zinc/73/87/19/1045738719.db2.gz AMGWDHKBURHQSF-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO COc1ccc(C[N@H+](Cc2cccc(OC)c2O)[C@@H](C)C2CC2)cc1 ZINC000768200630 1045738781 /nfs/dbraw/zinc/73/87/81/1045738781.db2.gz PJZWQXADQBQWQU-HNNXBMFYSA-N 1 0 341.451 4.210 20 10 EICDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)c1O ZINC000768249287 1045762440 /nfs/dbraw/zinc/76/24/40/1045762440.db2.gz QJWDPNLUGDSZLG-INIZCTEOSA-N 1 0 343.467 4.253 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC000768249653 1045762275 /nfs/dbraw/zinc/76/22/75/1045762275.db2.gz YEBHHZYKYMWAGL-GOSISDBHSA-N 1 0 329.465 4.081 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235074 1045764468 /nfs/dbraw/zinc/76/44/68/1045764468.db2.gz WRMDUDUXYLGGFV-UHFFFAOYSA-N 1 0 339.826 4.211 20 10 EICDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000768263435 1045772913 /nfs/dbraw/zinc/77/29/13/1045772913.db2.gz PKKPIIXXSZCCCC-KRWDZBQOSA-N 1 0 342.458 4.164 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)cc1OC ZINC000768447012 1045809144 /nfs/dbraw/zinc/80/91/44/1045809144.db2.gz QHEWDCQNGNUPDE-GOSISDBHSA-N 1 0 341.451 4.363 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)cc1OC ZINC000768464832 1045810650 /nfs/dbraw/zinc/81/06/50/1045810650.db2.gz BCLSYIHIOJFAIW-DYVFJYSZSA-N 1 0 345.414 4.132 20 10 EICDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539798 1045818376 /nfs/dbraw/zinc/81/83/76/1045818376.db2.gz BYXXGQHLSRHMKM-LJQANCHMSA-N 1 0 330.516 4.316 20 10 EICDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768824715 1045847362 /nfs/dbraw/zinc/84/73/62/1045847362.db2.gz GPRLLTMDATXYBP-LJQANCHMSA-N 1 0 342.508 4.094 20 10 EICDRO COc1cccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000769212749 1045896425 /nfs/dbraw/zinc/89/64/25/1045896425.db2.gz RJZSRGOSDUUKMV-WIYYLYMNSA-N 1 0 341.451 4.001 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245416 1045899944 /nfs/dbraw/zinc/89/99/44/1045899944.db2.gz RJICKKCUSYESAJ-IEBWSBKVSA-N 1 0 331.843 4.134 20 10 EICDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CCN(Cc2ccccc2)CC1 ZINC000769329895 1045924509 /nfs/dbraw/zinc/92/45/09/1045924509.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 1 0 344.886 4.142 20 10 EICDRO CCOc1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1O ZINC000769383617 1045942798 /nfs/dbraw/zinc/94/27/98/1045942798.db2.gz FFVCCCCZBQSZHG-UHFFFAOYSA-N 1 0 341.451 4.441 20 10 EICDRO COc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1O ZINC000237403866 1045969040 /nfs/dbraw/zinc/96/90/40/1045969040.db2.gz MEUNHSZWACKRQT-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470358 1045987177 /nfs/dbraw/zinc/98/71/77/1045987177.db2.gz LOAFLMSBPBNNRI-ZDUSSCGKSA-N 1 0 334.485 4.311 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474907 1045991426 /nfs/dbraw/zinc/99/14/26/1045991426.db2.gz SZAPBCADSGPMPO-IERDGZPVSA-N 1 0 341.451 4.061 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c(O)c1 ZINC000769493297 1045995229 /nfs/dbraw/zinc/99/52/29/1045995229.db2.gz SMNDVCJAVUOGJX-GOSISDBHSA-N 1 0 339.435 4.028 20 10 EICDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000769710817 1046050310 /nfs/dbraw/zinc/05/03/10/1046050310.db2.gz PKUWADKBVKXNNX-UHFFFAOYSA-N 1 0 339.863 4.036 20 10 EICDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc2ccccc2cc1O ZINC001170420409 1046070234 /nfs/dbraw/zinc/07/02/34/1046070234.db2.gz KHKSQIVVYNYDKT-IBGZPJMESA-N 1 0 349.430 4.385 20 10 EICDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792898265 1046098004 /nfs/dbraw/zinc/09/80/04/1046098004.db2.gz LDNHLAVSARCSIM-LBPRGKRZSA-N 1 0 326.362 4.085 20 10 EICDRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962753 1046109941 /nfs/dbraw/zinc/10/99/41/1046109941.db2.gz QGAVIEGABCSCKU-HUUCEWRRSA-N 1 0 346.496 4.005 20 10 EICDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792929958 1046111174 /nfs/dbraw/zinc/11/11/74/1046111174.db2.gz FWMJRZSSKWKEOL-ROUUACIJSA-N 1 0 348.506 4.091 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000792991818 1046121476 /nfs/dbraw/zinc/12/14/76/1046121476.db2.gz JZHDQQLDTKJEOK-QGZVFWFLSA-N 1 0 337.389 4.407 20 10 EICDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cc(F)ccc1O ZINC000769984087 1046122432 /nfs/dbraw/zinc/12/24/32/1046122432.db2.gz CRKGWRMMBWPFIP-GFCCVEGCSA-N 1 0 330.378 4.055 20 10 EICDRO Cc1cscc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793189907 1046167439 /nfs/dbraw/zinc/16/74/39/1046167439.db2.gz VHQFCQDHQVLWAU-UHFFFAOYSA-N 1 0 328.403 4.431 20 10 EICDRO COc1cccc(C=C2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000770356003 1046190140 /nfs/dbraw/zinc/19/01/40/1046190140.db2.gz XACYKEZVCAXVKF-UHFFFAOYSA-N 1 0 339.435 4.089 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000793352029 1046222691 /nfs/dbraw/zinc/22/26/91/1046222691.db2.gz MIHVLFXLHKKXCN-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c(O)c1 ZINC000793388531 1046232186 /nfs/dbraw/zinc/23/21/86/1046232186.db2.gz FRLVYXQVTMOYCP-DDTOSNHZSA-N 1 0 337.872 4.398 20 10 EICDRO CCOC1(C)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000793547210 1046283825 /nfs/dbraw/zinc/28/38/25/1046283825.db2.gz SZSAPDRIXPYRRU-UHFFFAOYSA-N 1 0 343.467 4.408 20 10 EICDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000793608005 1046305351 /nfs/dbraw/zinc/30/53/51/1046305351.db2.gz GRYPCUUTAGVFGT-UHFFFAOYSA-N 1 0 338.499 4.088 20 10 EICDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000916836433 1046378296 /nfs/dbraw/zinc/37/82/96/1046378296.db2.gz GIDIIDNESJSPCF-GUDVDZBRSA-N 1 0 346.490 4.111 20 10 EICDRO CCc1cccc(C[NH2+]Cc2sccc2Br)c1O ZINC000691502091 1046410185 /nfs/dbraw/zinc/41/01/85/1046410185.db2.gz ZJBPFYPBPYZUAM-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000771628129 1046462434 /nfs/dbraw/zinc/46/24/34/1046462434.db2.gz DWXGECJLSNMSRD-QGZVFWFLSA-N 1 0 347.499 4.235 20 10 EICDRO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000771929347 1046517939 /nfs/dbraw/zinc/51/79/39/1046517939.db2.gz XIJOQPFQZSKYQC-OAHLLOKOSA-N 1 0 333.516 4.192 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)CCOc2ccccc2OC)cc1 ZINC000917021027 1046563841 /nfs/dbraw/zinc/56/38/41/1046563841.db2.gz ZVIQOOCPTIOBHQ-UHFFFAOYSA-N 1 0 342.483 4.052 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC000917074564 1046638684 /nfs/dbraw/zinc/63/86/84/1046638684.db2.gz AEMPATUFGUEUPI-UHFFFAOYSA-N 1 0 330.447 4.311 20 10 EICDRO Cc1cc(NCc2ccc(N3CCSCC3)cc2)c2ccccc2[nH+]1 ZINC000917084110 1046658266 /nfs/dbraw/zinc/65/82/66/1046658266.db2.gz PQEWXTLFHVREJV-UHFFFAOYSA-N 1 0 349.503 4.130 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c(O)c1 ZINC000785578961 1046722283 /nfs/dbraw/zinc/72/22/83/1046722283.db2.gz CTGMGJQOJQCKJK-FIKGOQFSSA-N 1 0 326.484 4.351 20 10 EICDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)C ZINC000785574120 1046723500 /nfs/dbraw/zinc/72/35/00/1046723500.db2.gz YJGMFWIRPOIEHL-MDOVXXIYSA-N 1 0 330.447 4.182 20 10 EICDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1Br ZINC000786822989 1046875815 /nfs/dbraw/zinc/87/58/15/1046875815.db2.gz IMCDTIMZKWIEDA-UHFFFAOYSA-N 1 0 333.273 4.113 20 10 EICDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(N(C)C)cc1 ZINC000154455179 1047017277 /nfs/dbraw/zinc/01/72/77/1047017277.db2.gz WRSHYUAFMBUSCU-INIZCTEOSA-N 1 0 348.494 4.218 20 10 EICDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000746714504 1047067376 /nfs/dbraw/zinc/06/73/76/1047067376.db2.gz SMGKKTWCYRTWDQ-GOSISDBHSA-N 1 0 348.446 4.156 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132752 1047124658 /nfs/dbraw/zinc/12/46/58/1047124658.db2.gz ZXBABCOVZKLNQH-BDJLRTHQSA-N 1 0 343.298 4.224 20 10 EICDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)c1ccnn1C ZINC000788260248 1047146357 /nfs/dbraw/zinc/14/63/57/1047146357.db2.gz XIWPAOXQRRNOSS-BEFAXECRSA-N 1 0 337.467 4.369 20 10 EICDRO CC[C@H]([NH2+]CCC(O)(CC)CC)c1cc(Br)ccc1O ZINC000788263167 1047146423 /nfs/dbraw/zinc/14/64/23/1047146423.db2.gz RJBLTTJPNRWUKI-AWEZNQCLSA-N 1 0 344.293 4.137 20 10 EICDRO Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000806130857 1047155729 /nfs/dbraw/zinc/15/57/29/1047155729.db2.gz DDVCNUXXKKMJKR-KRWDZBQOSA-N 1 0 327.859 4.112 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(F)CCC2)c1O ZINC000806173559 1047160884 /nfs/dbraw/zinc/16/08/84/1047160884.db2.gz JVEYNKDIRCSZEK-NSHDSACASA-N 1 0 330.241 4.396 20 10 EICDRO CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000806175973 1047161924 /nfs/dbraw/zinc/16/19/24/1047161924.db2.gz GVYLBVGGNAYUJQ-UZLBHIALSA-N 1 0 342.483 4.133 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148159 1047172814 /nfs/dbraw/zinc/17/28/14/1047172814.db2.gz CVUGZYVMBIUOPE-QAPCUYQASA-N 1 0 338.923 4.454 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000788592617 1047240680 /nfs/dbraw/zinc/24/06/80/1047240680.db2.gz DXYIUFWGQOPAPJ-HZPDHXFCSA-N 1 0 348.487 4.059 20 10 EICDRO CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000788606939 1047245594 /nfs/dbraw/zinc/24/55/94/1047245594.db2.gz SCCLDERQICOARN-NSHDSACASA-N 1 0 344.318 4.399 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000788622551 1047253632 /nfs/dbraw/zinc/25/36/32/1047253632.db2.gz RIFOHCNESGQMBV-FASAQXTFSA-N 1 0 333.859 4.454 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000788627731 1047255557 /nfs/dbraw/zinc/25/55/57/1047255557.db2.gz QHUVSLMYFCOSTC-NDXORKPFSA-N 1 0 326.484 4.161 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000788669336 1047268254 /nfs/dbraw/zinc/26/82/54/1047268254.db2.gz ZGMMVEZADCZJHX-BLLLJJGKSA-N 1 0 337.822 4.186 20 10 EICDRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3c(C)cc(C)cc3O)c21 ZINC000788731412 1047280200 /nfs/dbraw/zinc/28/02/00/1047280200.db2.gz BDNZPHBOGYJYPX-OAHLLOKOSA-N 1 0 338.451 4.392 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000788757930 1047289500 /nfs/dbraw/zinc/28/95/00/1047289500.db2.gz NIKAKXKEBIBFIC-JJRVBVJISA-N 1 0 345.405 4.143 20 10 EICDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc1C ZINC000806675484 1047344194 /nfs/dbraw/zinc/34/41/94/1047344194.db2.gz JJZJYUUUBKDIOG-GOSISDBHSA-N 1 0 332.875 4.050 20 10 EICDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000788979432 1047350627 /nfs/dbraw/zinc/35/06/27/1047350627.db2.gz GLCHAQPWZNTJOA-LBPRGKRZSA-N 1 0 334.357 4.003 20 10 EICDRO COc1ccc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000918197474 1047368189 /nfs/dbraw/zinc/36/81/89/1047368189.db2.gz RZFQOHJZYKPWLY-UHFFFAOYSA-N 1 0 338.495 4.408 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCCC3 ZINC000789510615 1047435765 /nfs/dbraw/zinc/43/57/65/1047435765.db2.gz BBSFUVRJGCWPHG-APWZRJJASA-N 1 0 341.451 4.161 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1O ZINC000789769929 1047469582 /nfs/dbraw/zinc/46/95/82/1047469582.db2.gz PJNBZFQROBYDQG-UHFFFAOYSA-N 1 0 348.176 4.276 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC001170535127 1047518726 /nfs/dbraw/zinc/51/87/26/1047518726.db2.gz FXPVNAGKQCKZBX-CYBMUJFWSA-N 1 0 347.817 4.377 20 10 EICDRO CCc1ccc([C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CCO2)cc1 ZINC000790458660 1047592240 /nfs/dbraw/zinc/59/22/40/1047592240.db2.gz CWYJFGSTAJMVOL-QFIPXVFZSA-N 1 0 348.446 4.076 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccccc2SC(F)(F)F)c1O ZINC000898281825 1047608182 /nfs/dbraw/zinc/60/81/82/1047608182.db2.gz QUFLFRLKZIUKSZ-UHFFFAOYSA-N 1 0 343.370 4.303 20 10 EICDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918762845 1047647569 /nfs/dbraw/zinc/64/75/69/1047647569.db2.gz BPDJLUQWBAJZKA-MRXNPFEDSA-N 1 0 344.886 4.370 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000154871280 1047725145 /nfs/dbraw/zinc/72/51/45/1047725145.db2.gz IWMVRKYCFWEKNB-MSOLQXFVSA-N 1 0 328.456 4.253 20 10 EICDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc2O1 ZINC000808236907 1047853541 /nfs/dbraw/zinc/85/35/41/1047853541.db2.gz SXIKRXYYGCDACT-UHFFFAOYSA-N 1 0 334.419 4.114 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1O ZINC000814177761 1047866391 /nfs/dbraw/zinc/86/63/91/1047866391.db2.gz OISKXGAHRIXVOF-APPDUMDISA-N 1 0 337.872 4.208 20 10 EICDRO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1cnc[nH]1 ZINC001136871741 1047872253 /nfs/dbraw/zinc/87/22/53/1047872253.db2.gz GERHYVCVTHRDBT-UHFFFAOYSA-N 1 0 343.474 4.462 20 10 EICDRO COc1cc(O)c(C[N@H+](C(C)C)[C@@H](C)c2ccccc2)cc1OC ZINC000814170245 1047873474 /nfs/dbraw/zinc/87/34/74/1047873474.db2.gz STHIRLJNCGICHS-HNNXBMFYSA-N 1 0 329.440 4.381 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1O ZINC000155022532 1047885882 /nfs/dbraw/zinc/88/58/82/1047885882.db2.gz LCPPZCLBCQJACQ-CQSZACIVSA-N 1 0 337.366 4.243 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)ccn1 ZINC000824596180 1047891026 /nfs/dbraw/zinc/89/10/26/1047891026.db2.gz GNAYGTZDAKLAJO-UHFFFAOYSA-N 1 0 337.492 4.378 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696075 1047906533 /nfs/dbraw/zinc/90/65/33/1047906533.db2.gz HJFIINGNNCTGIW-RLLQIKCJSA-N 1 0 325.452 4.061 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808451267 1047914114 /nfs/dbraw/zinc/91/41/14/1047914114.db2.gz KKBFRTIIGGSLHL-LJQANCHMSA-N 1 0 331.415 4.325 20 10 EICDRO O[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000808449698 1047915508 /nfs/dbraw/zinc/91/55/08/1047915508.db2.gz XVCXQSUBIGWETO-XZOQPEGZSA-N 1 0 345.442 4.186 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045539 1048023641 /nfs/dbraw/zinc/02/36/41/1048023641.db2.gz GGBWUPHSWHXQOM-XPTSAGLGSA-N 1 0 337.341 4.156 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808680193 1048033793 /nfs/dbraw/zinc/03/37/93/1048033793.db2.gz DRCAJLGXSBCHCC-CYBMUJFWSA-N 1 0 334.847 4.389 20 10 EICDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000808680394 1048034399 /nfs/dbraw/zinc/03/43/99/1048034399.db2.gz LBMSWLRBMILGHZ-ZWKOTPCHSA-N 1 0 332.532 4.200 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1O ZINC000808683867 1048036145 /nfs/dbraw/zinc/03/61/45/1048036145.db2.gz KQALAFYAMAYBNM-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808693587 1048039086 /nfs/dbraw/zinc/03/90/86/1048039086.db2.gz IWOLLVPUYANMPQ-ZDUSSCGKSA-N 1 0 334.847 4.389 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000825130480 1048040034 /nfs/dbraw/zinc/04/00/34/1048040034.db2.gz YUPZUVJHVMKRBQ-KRWDZBQOSA-N 1 0 340.250 4.005 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000825144172 1048042700 /nfs/dbraw/zinc/04/27/00/1048042700.db2.gz MDKXRIUXMZKADL-SFHVURJKSA-N 1 0 344.524 4.291 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000808672701 1048044724 /nfs/dbraw/zinc/04/47/24/1048044724.db2.gz RKCVKWMZBFMJIH-YOEHRIQHSA-N 1 0 348.874 4.435 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000808675190 1048045059 /nfs/dbraw/zinc/04/50/59/1048045059.db2.gz YZOGXWSEHSWVPQ-NEPJUHHUSA-N 1 0 333.815 4.495 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000808676640 1048045259 /nfs/dbraw/zinc/04/52/59/1048045259.db2.gz HWGLWJQFQBGHAU-ZDUSSCGKSA-N 1 0 334.847 4.387 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1O ZINC000808674310 1048045635 /nfs/dbraw/zinc/04/56/35/1048045635.db2.gz DNFRULZABXKQJF-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO COc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1OC ZINC000808678990 1048047736 /nfs/dbraw/zinc/04/77/36/1048047736.db2.gz ZJFDIZLNXHHHJU-ZDUSSCGKSA-N 1 0 349.858 4.265 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000808679417 1048048742 /nfs/dbraw/zinc/04/87/42/1048048742.db2.gz ONYJHSRXMMFTAK-BBRMVZONSA-N 1 0 335.879 4.316 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1O ZINC000808707915 1048052371 /nfs/dbraw/zinc/05/23/71/1048052371.db2.gz CKUJTSRXEGUAFU-LBPRGKRZSA-N 1 0 334.803 4.156 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000808710689 1048055476 /nfs/dbraw/zinc/05/54/76/1048055476.db2.gz VKFMCLXBAIKKGE-HPGNRBDVSA-N 1 0 343.945 4.384 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000808708921 1048055963 /nfs/dbraw/zinc/05/59/63/1048055963.db2.gz RVZGJEBZXWWCMW-UGSOOPFHSA-N 1 0 330.859 4.191 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1O ZINC000808712487 1048059838 /nfs/dbraw/zinc/05/98/38/1048059838.db2.gz DUOPVNYBUDITRY-GFCCVEGCSA-N 1 0 328.803 4.108 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000808715970 1048063756 /nfs/dbraw/zinc/06/37/56/1048063756.db2.gz PBNYAOZEANQHDD-CZUORRHYSA-N 1 0 335.879 4.178 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1Cl ZINC000825316338 1048067878 /nfs/dbraw/zinc/06/78/78/1048067878.db2.gz RNBSRYKPYPEHGX-UHFFFAOYSA-N 1 0 349.833 4.289 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000808719997 1048068475 /nfs/dbraw/zinc/06/84/75/1048068475.db2.gz ZNQYAZSAMAHIDA-ZJUUUORDSA-N 1 0 326.774 4.439 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000808696727 1048077083 /nfs/dbraw/zinc/07/70/83/1048077083.db2.gz SDWIBXNYQXXIDS-VNBZBWLYSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)nc2c1 ZINC000808700639 1048081050 /nfs/dbraw/zinc/08/10/50/1048081050.db2.gz NUGJJCMLDRMCEL-GFCCVEGCSA-N 1 0 329.831 4.390 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1c(C)noc1C ZINC000825385158 1048085178 /nfs/dbraw/zinc/08/51/78/1048085178.db2.gz STSFGCABRSHFFP-CYBMUJFWSA-N 1 0 339.233 4.000 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)cc1Cl ZINC000825526431 1048109432 /nfs/dbraw/zinc/10/94/32/1048109432.db2.gz SCHJTBCBUVQTMS-INIZCTEOSA-N 1 0 333.863 4.299 20 10 EICDRO C[NH+](C)CCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000814771870 1048165867 /nfs/dbraw/zinc/16/58/67/1048165867.db2.gz HNCLXJDRXRHSQK-ZROIWOOFSA-N 1 0 348.518 4.166 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)ccc1N(C)C ZINC000815085888 1048326227 /nfs/dbraw/zinc/32/62/27/1048326227.db2.gz FAJCXNVJZVMUJY-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO Cc1ccncc1CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000809547503 1048408849 /nfs/dbraw/zinc/40/88/49/1048408849.db2.gz OJLRNCOXXMDKCH-UHFFFAOYSA-N 1 0 325.500 4.299 20 10 EICDRO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)c(OC)c1C ZINC000809555920 1048413198 /nfs/dbraw/zinc/41/31/98/1048413198.db2.gz BTBBTRAQGBOBRH-UHFFFAOYSA-N 1 0 329.440 4.130 20 10 EICDRO COC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000809733385 1048483363 /nfs/dbraw/zinc/48/33/63/1048483363.db2.gz VATZQWRRLWEGJW-UHFFFAOYSA-N 1 0 347.414 4.136 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000815552954 1048504861 /nfs/dbraw/zinc/50/48/61/1048504861.db2.gz OCYZLQJAYKRFLM-IRXDYDNUSA-N 1 0 328.456 4.090 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000815553327 1048505520 /nfs/dbraw/zinc/50/55/20/1048505520.db2.gz XRJNZONRRAAWBV-SFHVURJKSA-N 1 0 338.495 4.324 20 10 EICDRO COc1cc2c(cc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O)O[C@H](C)C2 ZINC000815557909 1048509005 /nfs/dbraw/zinc/50/90/05/1048509005.db2.gz JTKOTDRYJKKYSZ-HUUCEWRRSA-N 1 0 341.451 4.192 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000815575996 1048515633 /nfs/dbraw/zinc/51/56/33/1048515633.db2.gz GQTILMZFZIOKII-CMKODMSKSA-N 1 0 338.495 4.495 20 10 EICDRO CC(C)[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579549 1048518488 /nfs/dbraw/zinc/51/84/88/1048518488.db2.gz PHAUHQCXJPWIRF-PZJWPPBQSA-N 1 0 327.468 4.063 20 10 EICDRO Cc1ccc(O)c(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754379 1048519841 /nfs/dbraw/zinc/51/98/41/1048519841.db2.gz JMGYMPBVHLGKIM-KRWDZBQOSA-N 1 0 340.250 4.221 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000815580053 1048521313 /nfs/dbraw/zinc/52/13/13/1048521313.db2.gz BGDOUCGYMIJPFT-NRFANRHFSA-N 1 0 348.446 4.130 20 10 EICDRO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H](C)c1cccnc1 ZINC000809766494 1048526099 /nfs/dbraw/zinc/52/60/99/1048526099.db2.gz YZTWBVGLSOCFOH-CYBMUJFWSA-N 1 0 349.272 4.441 20 10 EICDRO CC(C)(CCCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815590039 1048528525 /nfs/dbraw/zinc/52/85/25/1048528525.db2.gz KDQBBJXQQCVWNN-HXUWFJFHSA-N 1 0 341.495 4.454 20 10 EICDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)c2ccccc21 ZINC000815599457 1048533359 /nfs/dbraw/zinc/53/33/59/1048533359.db2.gz TZQGSJDPDAHGBH-QAPCUYQASA-N 1 0 338.451 4.158 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N(C)C)cc1 ZINC000815660007 1048562377 /nfs/dbraw/zinc/56/23/77/1048562377.db2.gz POKVSMZYEDWDIL-BEFAXECRSA-N 1 0 344.524 4.376 20 10 EICDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2O)c(Cl)c1OC ZINC000815639043 1048565375 /nfs/dbraw/zinc/56/53/75/1048565375.db2.gz MJZPVFYFMFWVQT-CYBMUJFWSA-N 1 0 349.858 4.265 20 10 EICDRO COC1(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000815642199 1048568148 /nfs/dbraw/zinc/56/81/48/1048568148.db2.gz VHFRGEUOTLFBEN-LBPRGKRZSA-N 1 0 342.277 4.073 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1C ZINC000815645916 1048571463 /nfs/dbraw/zinc/57/14/63/1048571463.db2.gz UKNPRUVIJQOOAQ-ZDUSSCGKSA-N 1 0 338.373 4.316 20 10 EICDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000810135516 1048642489 /nfs/dbraw/zinc/64/24/89/1048642489.db2.gz PAHGUHHRVUOEFG-QXAKKESOSA-N 1 0 328.500 4.166 20 10 EICDRO Oc1ccc(Br)cc1CNc1cccc(C2=[NH+]CCC2)c1 ZINC001171176716 1048647127 /nfs/dbraw/zinc/64/71/27/1048647127.db2.gz XPMPDANGADALOK-UHFFFAOYSA-N 1 0 345.240 4.350 20 10 EICDRO Oc1ccc(Br)cc1CNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001171177771 1048649261 /nfs/dbraw/zinc/64/92/61/1048649261.db2.gz JJPIHCDVGBCYKT-MRXNPFEDSA-N 1 0 347.256 4.191 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)c1 ZINC000810179964 1048670385 /nfs/dbraw/zinc/67/03/85/1048670385.db2.gz KBOOLWOHQHRECU-MRXNPFEDSA-N 1 0 338.451 4.068 20 10 EICDRO CC[C@@H]([NH2+]Cc1csc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810211747 1048680868 /nfs/dbraw/zinc/68/08/68/1048680868.db2.gz VUJVXAGVWKXHOA-CYBMUJFWSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810220169 1048687993 /nfs/dbraw/zinc/68/79/93/1048687993.db2.gz RCAXTJNKTUKCHJ-UGQVUOCMSA-N 1 0 343.389 4.265 20 10 EICDRO CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220933 1048688685 /nfs/dbraw/zinc/68/86/85/1048688685.db2.gz HIRNMLIBQYNOEF-IUODEOHRSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810221070 1048690990 /nfs/dbraw/zinc/69/09/90/1048690990.db2.gz KLMPPZORGMAKCN-CZUORRHYSA-N 1 0 347.421 4.496 20 10 EICDRO CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810228179 1048696442 /nfs/dbraw/zinc/69/64/42/1048696442.db2.gz QZCDYVNWERACOA-AWEZNQCLSA-N 1 0 331.378 4.004 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810227773 1048696601 /nfs/dbraw/zinc/69/66/01/1048696601.db2.gz JBFVQMRVQIDGMG-MEBBXXQBSA-N 1 0 341.377 4.114 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810232334 1048699487 /nfs/dbraw/zinc/69/94/87/1048699487.db2.gz YHHFNUMJUPUVMQ-CMPLNLGQSA-N 1 0 345.283 4.029 20 10 EICDRO CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207122 1048702913 /nfs/dbraw/zinc/70/29/13/1048702913.db2.gz GZESVBDKPDSYCG-INIZCTEOSA-N 1 0 342.405 4.079 20 10 EICDRO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)Cc1c(O)cc(O)cc1O ZINC001144516203 1048710504 /nfs/dbraw/zinc/71/05/04/1048710504.db2.gz SYVCDJSUQHGGTP-KRWDZBQOSA-N 1 0 343.467 4.427 20 10 EICDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000810238062 1048718336 /nfs/dbraw/zinc/71/83/36/1048718336.db2.gz XMWRVMTWDHQPRQ-HZPDHXFCSA-N 1 0 349.519 4.097 20 10 EICDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)c1cccc(OC)c1 ZINC000748051427 1048725446 /nfs/dbraw/zinc/72/54/46/1048725446.db2.gz WAHCGASLHDVGPD-CYBMUJFWSA-N 1 0 345.414 4.326 20 10 EICDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244950 1048728086 /nfs/dbraw/zinc/72/80/86/1048728086.db2.gz LDDJBIHSFHTFGB-IRXDYDNUSA-N 1 0 335.511 4.195 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000845971529 1048769198 /nfs/dbraw/zinc/76/91/98/1048769198.db2.gz KYPAZUKUGRVAEK-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000845971742 1048770379 /nfs/dbraw/zinc/77/03/79/1048770379.db2.gz CIIYNEJTICBZKV-AWEZNQCLSA-N 1 0 341.451 4.355 20 10 EICDRO COCc1ccccc1/C=C(/C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845973137 1048772806 /nfs/dbraw/zinc/77/28/06/1048772806.db2.gz XXYKVKQCGBXRMJ-QZFKAFNDSA-N 1 0 341.451 4.301 20 10 EICDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845973139 1048773985 /nfs/dbraw/zinc/77/39/85/1048773985.db2.gz XXYKVKQCGBXRMJ-SFKKXYGYSA-N 1 0 341.451 4.301 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(Cl)c1 ZINC000846013864 1048784391 /nfs/dbraw/zinc/78/43/91/1048784391.db2.gz CZBZWEKSMLSRPN-UHFFFAOYSA-N 1 0 337.744 4.220 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)ccc1OC ZINC000846040252 1048803203 /nfs/dbraw/zinc/80/32/03/1048803203.db2.gz XCXHCGWOTRHEGP-DLBZAZTESA-N 1 0 329.843 4.026 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051603 1048807418 /nfs/dbraw/zinc/80/74/18/1048807418.db2.gz HBJCACMIKWFTFK-SJKOYZFVSA-N 1 0 345.414 4.493 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000846114524 1048815021 /nfs/dbraw/zinc/81/50/21/1048815021.db2.gz MROWVHWXJXVANX-UHFFFAOYSA-N 1 0 325.305 4.329 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515213 1048822702 /nfs/dbraw/zinc/82/27/02/1048822702.db2.gz SEWQMQMCSDLZII-HSZRJFAPSA-N 1 0 345.442 4.219 20 10 EICDRO Oc1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc2ccccc21 ZINC000816515239 1048823566 /nfs/dbraw/zinc/82/35/66/1048823566.db2.gz TVOKBGXZSPPYOK-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO Oc1c(C[NH2+]Cc2ccccc2Cn2cccn2)ccc2ccccc21 ZINC000816531103 1048825129 /nfs/dbraw/zinc/82/51/29/1048825129.db2.gz GMIOVCRBAJDHMX-UHFFFAOYSA-N 1 0 343.430 4.080 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1O ZINC000846163312 1048827245 /nfs/dbraw/zinc/82/72/45/1048827245.db2.gz HUJZYKOXWAEPDT-SWLSCSKDSA-N 1 0 339.357 4.398 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000846163871 1048827275 /nfs/dbraw/zinc/82/72/75/1048827275.db2.gz MIVOMHCGOZBWAP-QWHCGFSZSA-N 1 0 331.460 4.073 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000846168006 1048828455 /nfs/dbraw/zinc/82/84/55/1048828455.db2.gz PWMGBBJBAMOQCW-GUYCJALGSA-N 1 0 348.874 4.008 20 10 EICDRO Oc1c(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816551491 1048828627 /nfs/dbraw/zinc/82/86/27/1048828627.db2.gz CWWFLANBLAYKFD-LJQANCHMSA-N 1 0 332.447 4.304 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)c1O ZINC000846168556 1048828711 /nfs/dbraw/zinc/82/87/11/1048828711.db2.gz KGLQCTYORMSYNV-PBHICJAKSA-N 1 0 326.440 4.023 20 10 EICDRO COc1ccccc1OCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816546946 1048828810 /nfs/dbraw/zinc/82/88/10/1048828810.db2.gz CUEPWUUOANMSLL-UHFFFAOYSA-N 1 0 337.419 4.113 20 10 EICDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846141177 1048830923 /nfs/dbraw/zinc/83/09/23/1048830923.db2.gz FNMKCXOULFYEGP-LSDHHAIUSA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c1O ZINC000846142674 1048831478 /nfs/dbraw/zinc/83/14/78/1048831478.db2.gz GIOXZIZOQFUIKH-IAQYHMDHSA-N 1 0 333.428 4.428 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](O)c2ccccc2Cl)ccc2ccccc21 ZINC000816552747 1048833656 /nfs/dbraw/zinc/83/36/56/1048833656.db2.gz VATLUTRRHGGMTG-GOSISDBHSA-N 1 0 327.811 4.022 20 10 EICDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816553746 1048834149 /nfs/dbraw/zinc/83/41/49/1048834149.db2.gz FXCAJRKFWZTCDY-IBGZPJMESA-N 1 0 335.403 4.167 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc2ccccc12 ZINC000816559920 1048835293 /nfs/dbraw/zinc/83/52/93/1048835293.db2.gz YXXXWMNNBOJJAI-GOSISDBHSA-N 1 0 345.801 4.161 20 10 EICDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182976 1048835717 /nfs/dbraw/zinc/83/57/17/1048835717.db2.gz MNUIMUGUGCCUFI-QTCYRWPVSA-N 1 0 343.442 4.183 20 10 EICDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1Cl ZINC000816570537 1048837426 /nfs/dbraw/zinc/83/74/26/1048837426.db2.gz XYVDFJWIMQZLNR-HXUWFJFHSA-N 1 0 341.838 4.196 20 10 EICDRO CCn1c(C[NH2+]Cc2ccc3ccccc3c2O)nc2ccccc21 ZINC000816569143 1048837551 /nfs/dbraw/zinc/83/75/51/1048837551.db2.gz AXDDVKLATQUORU-UHFFFAOYSA-N 1 0 331.419 4.205 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc2ccccc2c1O ZINC000846189715 1048837965 /nfs/dbraw/zinc/83/79/65/1048837965.db2.gz RSJHQTNYPWZBJD-WCJKSRRJSA-N 1 0 335.447 4.492 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000921068926 1048841059 /nfs/dbraw/zinc/84/10/59/1048841059.db2.gz FQOSPPDOYGWPHE-OAQYLSRUSA-N 1 0 344.474 4.275 20 10 EICDRO c1ccc(-c2ccccc2OCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000921067900 1048841468 /nfs/dbraw/zinc/84/14/68/1048841468.db2.gz SXMSZXJPWZKXAE-UHFFFAOYSA-N 1 0 345.442 4.457 20 10 EICDRO CC1CCN(c2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901324 1049055677 /nfs/dbraw/zinc/05/56/77/1049055677.db2.gz BTHIOVYBVFMYIE-FGZHOGPDSA-N 1 0 335.495 4.157 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817947820 1049063791 /nfs/dbraw/zinc/06/37/91/1049063791.db2.gz RZQTYSNNSBGJQY-HFAKWTLXSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cc2c(cc1O)CCCC2 ZINC000817974517 1049076074 /nfs/dbraw/zinc/07/60/74/1049076074.db2.gz BUBROYRLURTSJP-OAHLLOKOSA-N 1 0 336.479 4.480 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985397 1049080545 /nfs/dbraw/zinc/08/05/45/1049080545.db2.gz JTPANQCURQXNOG-QWRGUYRKSA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc(F)c3)C2)cc1 ZINC000818116795 1049090423 /nfs/dbraw/zinc/09/04/23/1049090423.db2.gz PTVVINVDGSOPDE-CVEARBPZSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000818116037 1049091691 /nfs/dbraw/zinc/09/16/91/1049091691.db2.gz FZIJHBJNSAVIKJ-LSDHHAIUSA-N 1 0 346.421 4.151 20 10 EICDRO CSc1ccc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000811505729 1049117594 /nfs/dbraw/zinc/11/75/94/1049117594.db2.gz GPPQEAIQYOBGGK-UHFFFAOYSA-N 1 0 344.299 4.228 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(SC)s3)C2)cc1 ZINC000818222298 1049117995 /nfs/dbraw/zinc/11/79/95/1049117995.db2.gz SFEOEWNYBAGMBY-AWEZNQCLSA-N 1 0 348.537 4.095 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(c4ccccc4)C3)C2)cc1 ZINC000818341582 1049134239 /nfs/dbraw/zinc/13/42/39/1049134239.db2.gz BHIWIIYEWMSRCH-QHGAOEGBSA-N 1 0 336.479 4.057 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000818342351 1049135316 /nfs/dbraw/zinc/13/53/16/1049135316.db2.gz PMDZEDGGKNUTIG-RDJZCZTQSA-N 1 0 328.456 4.082 20 10 EICDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000818485516 1049159662 /nfs/dbraw/zinc/15/96/62/1049159662.db2.gz WJZSRPWVCOGVLJ-UHFFFAOYSA-N 1 0 336.479 4.165 20 10 EICDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781237 1049263185 /nfs/dbraw/zinc/26/31/85/1049263185.db2.gz WHNICVSTESEVCF-GFCCVEGCSA-N 1 0 327.415 4.175 20 10 EICDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc4oc5ccccc5c4cc3O)C2)c1 ZINC000811800154 1049269714 /nfs/dbraw/zinc/26/97/14/1049269714.db2.gz KVOJZIBCFUBRJF-INIZCTEOSA-N 1 0 347.418 4.244 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902930 1049386893 /nfs/dbraw/zinc/38/68/93/1049386893.db2.gz ILGQMYVIBTZLSS-NRFANRHFSA-N 1 0 337.463 4.327 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902931 1049387819 /nfs/dbraw/zinc/38/78/19/1049387819.db2.gz ILGQMYVIBTZLSS-OAQYLSRUSA-N 1 0 337.463 4.327 20 10 EICDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298725 1049432664 /nfs/dbraw/zinc/43/26/64/1049432664.db2.gz RLBZYJQTLCOEFL-CVEARBPZSA-N 1 0 338.373 4.493 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000772999555 1049510508 /nfs/dbraw/zinc/51/05/08/1049510508.db2.gz MOWKOFUPWPBHHW-SFHVURJKSA-N 1 0 327.428 4.210 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000773001432 1049516458 /nfs/dbraw/zinc/51/64/58/1049516458.db2.gz SJAYLPBLVRZFOG-OAHLLOKOSA-N 1 0 327.428 4.128 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000773009859 1049524067 /nfs/dbraw/zinc/52/40/67/1049524067.db2.gz DBZAKLNDUVVMOK-LIRRHRJNSA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773040937 1049546090 /nfs/dbraw/zinc/54/60/90/1049546090.db2.gz PDWLEJDTYPTSTN-PNHOKKKMSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N(C)C)cc1 ZINC000773041627 1049549571 /nfs/dbraw/zinc/54/95/71/1049549571.db2.gz RWBPPXPMVPOBHE-GFCCVEGCSA-N 1 0 333.819 4.165 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000773044472 1049552435 /nfs/dbraw/zinc/55/24/35/1049552435.db2.gz PUGDJFQWYWYEON-UWJYYQICSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000812735722 1049555671 /nfs/dbraw/zinc/55/56/71/1049555671.db2.gz FQZBKFNZVDFRMB-VQIMIIECSA-N 1 0 342.458 4.407 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000812821876 1049585261 /nfs/dbraw/zinc/58/52/61/1049585261.db2.gz RYVVPJNKRSPWLM-QFIPXVFZSA-N 1 0 336.479 4.331 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000237574913 1049629651 /nfs/dbraw/zinc/62/96/51/1049629651.db2.gz LNQAIIVYKMWWBR-YWZLYKJASA-N 1 0 340.467 4.170 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(N(C)C)cc1 ZINC001171462249 1049714943 /nfs/dbraw/zinc/71/49/43/1049714943.db2.gz FVFVTVSLWCZUJO-SUMWQHHRSA-N 1 0 330.422 4.239 20 10 EICDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C12CCC2 ZINC001170981809 1049743760 /nfs/dbraw/zinc/74/37/60/1049743760.db2.gz SPTHXBWZCLZYPO-PMACEKPBSA-N 1 0 328.500 4.033 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2C2CCCCC2)c1 ZINC000813331660 1049752911 /nfs/dbraw/zinc/75/29/11/1049752911.db2.gz QIXPMXCXCMCMJH-CQSZACIVSA-N 1 0 343.471 4.033 20 10 EICDRO CC(C)n1cncc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000822438657 1049761320 /nfs/dbraw/zinc/76/13/20/1049761320.db2.gz MIWQYILBTHOGPL-UHFFFAOYSA-N 1 0 326.488 4.086 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC(CC(F)F)C1 ZINC000822520634 1049767409 /nfs/dbraw/zinc/76/74/09/1049767409.db2.gz JQQPAJLCFQVXPC-UHFFFAOYSA-N 1 0 333.378 4.058 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529791 1049768831 /nfs/dbraw/zinc/76/88/31/1049768831.db2.gz JGNHKDVSERMQPB-LAEWNIMASA-N 1 0 340.511 4.047 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cccs3)C2)cc1 ZINC000237895322 1049813141 /nfs/dbraw/zinc/81/31/41/1049813141.db2.gz WQXHVYHNUYTPRC-ZDUSSCGKSA-N 1 0 338.423 4.108 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000237895258 1049813152 /nfs/dbraw/zinc/81/31/52/1049813152.db2.gz SIEDYLJFMLFVBB-INIZCTEOSA-N 1 0 332.394 4.047 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000180027547 1049824703 /nfs/dbraw/zinc/82/47/03/1049824703.db2.gz WBTVOAPSCLETMB-INIZCTEOSA-N 1 0 336.483 4.270 20 10 EICDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1OCCc2sccc21 ZINC000813885818 1049831321 /nfs/dbraw/zinc/83/13/21/1049831321.db2.gz XVDJDEOVXVIRIV-RPWYUHBMSA-N 1 0 347.455 4.433 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000823446960 1049847693 /nfs/dbraw/zinc/84/76/93/1049847693.db2.gz AOSCZHAYKIEOOP-UHFFFAOYSA-N 1 0 344.524 4.121 20 10 EICDRO Cc1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875136 1049871216 /nfs/dbraw/zinc/87/12/16/1049871216.db2.gz KHXRFVYOOLIMEK-ZIAGYGMSSA-N 1 0 345.512 4.008 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1F ZINC000823736918 1049871516 /nfs/dbraw/zinc/87/15/16/1049871516.db2.gz OWNHMTNZRSQUBU-AWEZNQCLSA-N 1 0 338.348 4.086 20 10 EICDRO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338087 1049888173 /nfs/dbraw/zinc/88/81/73/1049888173.db2.gz ACYNOFJHYNKIIU-JKSUJKDBSA-N 1 0 344.499 4.139 20 10 EICDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823944019 1049888601 /nfs/dbraw/zinc/88/86/01/1049888601.db2.gz RNOLUTIXBPAHNK-AEFFLSMTSA-N 1 0 346.540 4.271 20 10 EICDRO c1csc(SCCC[NH2+]C2CCC(OC3CCCC3)CC2)n1 ZINC000823938097 1049889327 /nfs/dbraw/zinc/88/93/27/1049889327.db2.gz SFBLXCSTSKPIQQ-UHFFFAOYSA-N 1 0 340.558 4.485 20 10 EICDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824002276 1049889802 /nfs/dbraw/zinc/88/98/02/1049889802.db2.gz FTLIOKIGJKDNTO-AEFFLSMTSA-N 1 0 344.524 4.289 20 10 EICDRO Cc1cncc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)c1 ZINC000824050460 1049894601 /nfs/dbraw/zinc/89/46/01/1049894601.db2.gz GHSNRWDSKCMXAV-UHFFFAOYSA-N 1 0 337.492 4.378 20 10 EICDRO C[C@H]1CC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](C)O1 ZINC000824059710 1049895563 /nfs/dbraw/zinc/89/55/63/1049895563.db2.gz ZZRTWERUEUBLNC-HOTGVXAUSA-N 1 0 344.524 4.430 20 10 EICDRO Oc1ccccc1CN1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172727071 1049966790 /nfs/dbraw/zinc/96/67/90/1049966790.db2.gz GRKQCLQTYVIANZ-UHFFFAOYSA-N 1 0 342.527 4.449 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC2(CCCC2)CC1 ZINC001172729791 1049968920 /nfs/dbraw/zinc/96/89/20/1049968920.db2.gz LACPVPYBDVTCHU-UHFFFAOYSA-N 1 0 342.527 4.458 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000181530955 1050184866 /nfs/dbraw/zinc/18/48/66/1050184866.db2.gz HJJBMJPTOGUBNR-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO Cc1ccc(Cl)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001177416939 1050210602 /nfs/dbraw/zinc/21/06/02/1050210602.db2.gz ZVUZZPOISPIOMR-UHFFFAOYSA-N 1 0 329.875 4.012 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCCC1 ZINC001177581833 1050257150 /nfs/dbraw/zinc/25/71/50/1050257150.db2.gz PEDLSOCMMBDIKV-FQEVSTJZSA-N 1 0 347.522 4.026 20 10 EICDRO COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1C ZINC001177804791 1050308147 /nfs/dbraw/zinc/30/81/47/1050308147.db2.gz SCHXYPKKJKABKL-UHFFFAOYSA-N 1 0 340.511 4.422 20 10 EICDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC001204205318 1050310284 /nfs/dbraw/zinc/31/02/84/1050310284.db2.gz RGEILJXNEHVOGX-MRXNPFEDSA-N 1 0 331.843 4.084 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1C ZINC000069710528 1050315774 /nfs/dbraw/zinc/31/57/74/1050315774.db2.gz GTJJCNKCWDQPHP-UHFFFAOYSA-N 1 0 326.259 4.117 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893760 1050322651 /nfs/dbraw/zinc/32/26/51/1050322651.db2.gz NLHMZLHDWLRJKG-IEJURRBGSA-N 1 0 335.495 4.024 20 10 EICDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904503 1050323627 /nfs/dbraw/zinc/32/36/27/1050323627.db2.gz JOGVLJHPCGHNJA-WAVCKPEOSA-N 1 0 334.467 4.003 20 10 EICDRO CC1(C)CC2(CO1)CCC([NH2+]CCCSc1nccs1)CC2 ZINC001177905063 1050325273 /nfs/dbraw/zinc/32/52/73/1050325273.db2.gz NHTPCTRMPHEEFU-UHFFFAOYSA-N 1 0 340.558 4.343 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Oc1ccccc1F ZINC001177948572 1050345363 /nfs/dbraw/zinc/34/53/63/1050345363.db2.gz JVQXGSIAKNZWAD-QGZVFWFLSA-N 1 0 329.415 4.098 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001178369513 1050447431 /nfs/dbraw/zinc/44/74/31/1050447431.db2.gz LFAIFMPNHZIUMY-HRAATJIYSA-N 1 0 344.474 4.274 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1F ZINC001178393871 1050451248 /nfs/dbraw/zinc/45/12/48/1050451248.db2.gz XLPJGSXDDFOYRV-NRFANRHFSA-N 1 0 326.459 4.276 20 10 EICDRO C[C@@H]1CC([N@H+](C)Cc2ccccc2O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682366 1050530801 /nfs/dbraw/zinc/53/08/01/1050530801.db2.gz XNWHAXHIAYQMAH-HUUCEWRRSA-N 1 0 348.487 4.001 20 10 EICDRO CCC[C@@]1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCOC1 ZINC001178700710 1050535116 /nfs/dbraw/zinc/53/51/16/1050535116.db2.gz YRGWWIFSEPYTQO-HXUWFJFHSA-N 1 0 344.524 4.433 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1C ZINC001178807032 1050559197 /nfs/dbraw/zinc/55/91/97/1050559197.db2.gz WMUPEGSIIFSWTA-GOSISDBHSA-N 1 0 333.859 4.260 20 10 EICDRO CCCN(Cc1c(C)nn(C(C)(C)C)c1C)c1ccc(C[NH3+])cc1 ZINC000775140173 1050605327 /nfs/dbraw/zinc/60/53/27/1050605327.db2.gz JRZXGDCYFGBQJB-UHFFFAOYSA-N 1 0 328.504 4.130 20 10 EICDRO CCCN(Cc1nc2ccc(OC)cc2s1)c1ccc(C[NH3+])cc1 ZINC000775141041 1050609237 /nfs/dbraw/zinc/60/92/37/1050609237.db2.gz UZDWGSWDMBUKID-UHFFFAOYSA-N 1 0 341.480 4.180 20 10 EICDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000763532922 1050729197 /nfs/dbraw/zinc/72/91/97/1050729197.db2.gz XKQUSVPARSLPDR-QUCCMNQESA-N 1 0 330.516 4.360 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC001179653920 1050737417 /nfs/dbraw/zinc/73/74/17/1050737417.db2.gz ACLYTVKKXJJWEB-FQEVSTJZSA-N 1 0 328.500 4.258 20 10 EICDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001179755324 1050772071 /nfs/dbraw/zinc/77/20/71/1050772071.db2.gz JMMHRCINUZECLF-QFIPXVFZSA-N 1 0 339.527 4.269 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1O ZINC000182636126 1050781015 /nfs/dbraw/zinc/78/10/15/1050781015.db2.gz AGUIIFQVZKPVGG-LLVKDONJSA-N 1 0 327.355 4.331 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676524 1050789961 /nfs/dbraw/zinc/78/99/61/1050789961.db2.gz NNLANPKPGIYLRN-FQEVSTJZSA-N 1 0 340.515 4.430 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001180174952 1050894667 /nfs/dbraw/zinc/89/46/67/1050894667.db2.gz PQHVDBIKRPUPSA-FHOSRQNYSA-N 1 0 340.467 4.040 20 10 EICDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001180158614 1050904867 /nfs/dbraw/zinc/90/48/67/1050904867.db2.gz YKAQKGJTWOVQQC-QGZVFWFLSA-N 1 0 329.440 4.383 20 10 EICDRO CCc1cccc(Cl)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001180664697 1051059166 /nfs/dbraw/zinc/05/91/66/1051059166.db2.gz HZUOFJYCJZQXTK-UHFFFAOYSA-N 1 0 346.902 4.479 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(Cl)c1 ZINC001180687280 1051063631 /nfs/dbraw/zinc/06/36/31/1051063631.db2.gz OWMKUYGSHDAELV-UHFFFAOYSA-N 1 0 338.234 4.232 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000775326364 1051076179 /nfs/dbraw/zinc/07/61/79/1051076179.db2.gz SBDBAKNHRHMIHV-UHFFFAOYSA-N 1 0 332.241 4.020 20 10 EICDRO Cc1cc(Nc2cc(Br)c(C(F)(F)F)cc2O)cc[nH+]1 ZINC001174661371 1051130487 /nfs/dbraw/zinc/13/04/87/1051130487.db2.gz XAZKSNHNNUROLC-UHFFFAOYSA-N 1 0 347.134 4.042 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(OC)c(OC)c1 ZINC001181656553 1051272943 /nfs/dbraw/zinc/27/29/43/1051272943.db2.gz SJWPSNLUNGADPY-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775410600 1051274109 /nfs/dbraw/zinc/27/41/09/1051274109.db2.gz AWAVEFMEXPNYFF-NVXWUHKLSA-N 1 0 339.357 4.185 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1 ZINC001181674869 1051276398 /nfs/dbraw/zinc/27/63/98/1051276398.db2.gz PRIPIAMOLQAAQS-DNVCBOLYSA-N 1 0 341.451 4.383 20 10 EICDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)cc1F ZINC001175053305 1051343154 /nfs/dbraw/zinc/34/31/54/1051343154.db2.gz MIDHTVSKMBSZFZ-GOSISDBHSA-N 1 0 342.458 4.198 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774133107 1051476763 /nfs/dbraw/zinc/47/67/63/1051476763.db2.gz WKIFMHNRVYTRSB-NWDGAFQWSA-N 1 0 331.287 4.082 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2C)c(O)c1 ZINC001182345827 1051512024 /nfs/dbraw/zinc/51/20/24/1051512024.db2.gz RYLLZOAXOCOUMM-IBGZPJMESA-N 1 0 329.415 4.494 20 10 EICDRO C[C@@H]([NH2+]CCCc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774256537 1051529981 /nfs/dbraw/zinc/52/99/81/1051529981.db2.gz YUODMFFSXCSBLA-SECBINFHSA-N 1 0 331.268 4.439 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)cc1Cl ZINC001182432770 1051547585 /nfs/dbraw/zinc/54/75/85/1051547585.db2.gz FSDRUPUGRBZLBW-HNNXBMFYSA-N 1 0 346.902 4.449 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cc(Cl)ccc1O ZINC000775486494 1051560289 /nfs/dbraw/zinc/56/02/89/1051560289.db2.gz CAOBCDINAHQDNR-KRWDZBQOSA-N 1 0 332.831 4.245 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000775487871 1051560460 /nfs/dbraw/zinc/56/04/60/1051560460.db2.gz FMSFJSIUZWIYCI-KRWDZBQOSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1O ZINC000775487595 1051565093 /nfs/dbraw/zinc/56/50/93/1051565093.db2.gz LHYZQFCZSMHQJU-KRWDZBQOSA-N 1 0 345.874 4.150 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)C2)cc1 ZINC001182508341 1051622733 /nfs/dbraw/zinc/62/27/33/1051622733.db2.gz LMMIHTQDSWJHKL-SQGPQFPESA-N 1 0 330.516 4.326 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000775507944 1051646801 /nfs/dbraw/zinc/64/68/01/1051646801.db2.gz PTIOUWBTUBZLDK-LPHOPBHVSA-N 1 0 328.431 4.241 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000775507948 1051648377 /nfs/dbraw/zinc/64/83/77/1051648377.db2.gz PTIOUWBTUBZLDK-VQIMIIECSA-N 1 0 328.431 4.241 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1O ZINC000775509140 1051648576 /nfs/dbraw/zinc/64/85/76/1051648576.db2.gz ZSXGZZJKYBTIDY-QUCCMNQESA-N 1 0 327.468 4.464 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000775508977 1051648896 /nfs/dbraw/zinc/64/88/96/1051648896.db2.gz HIFPDMIXSARIEU-CZUORRHYSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(Cl)ccc1O ZINC000775514432 1051667123 /nfs/dbraw/zinc/66/71/23/1051667123.db2.gz VOXQDVNMYJFTTC-CQSZACIVSA-N 1 0 325.239 4.377 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1O ZINC000775523203 1051692454 /nfs/dbraw/zinc/69/24/54/1051692454.db2.gz FCKXQNIDYHOQMB-QZTJIDSGSA-N 1 0 330.859 4.273 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc(Cl)ccc1O ZINC000775523958 1051699505 /nfs/dbraw/zinc/69/95/05/1051699505.db2.gz BRFOQEIKXRRRCA-XRGAULLZSA-N 1 0 343.945 4.466 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775525229 1051707615 /nfs/dbraw/zinc/70/76/15/1051707615.db2.gz FFNINYHTAIAKKS-GDBMZVCRSA-N 1 0 341.785 4.098 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccccc1O ZINC000775526333 1051711526 /nfs/dbraw/zinc/71/15/26/1051711526.db2.gz QSBMUJODRTXUDX-HEFCMCLBSA-N 1 0 329.440 4.218 20 10 EICDRO CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(Cl)ccc1O ZINC000775532195 1051748025 /nfs/dbraw/zinc/74/80/25/1051748025.db2.gz SYUZQSXDDPKGND-BBRMVZONSA-N 1 0 325.880 4.275 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1O ZINC000775531601 1051751648 /nfs/dbraw/zinc/75/16/48/1051751648.db2.gz IKBFGFMPKASVAZ-MAUKXSAKSA-N 1 0 330.859 4.365 20 10 EICDRO COc1cc(C)cc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)c1O ZINC001183023882 1051771091 /nfs/dbraw/zinc/77/10/91/1051771091.db2.gz JZFAKYKMSFECJE-NRFANRHFSA-N 1 0 325.452 4.167 20 10 EICDRO Cc1cc(CC[NH2+]Cc2ccc(C)cc2O)c(C)n1-c1ccccc1 ZINC001183179848 1051802415 /nfs/dbraw/zinc/80/24/15/1051802415.db2.gz JJNJJXLIZGUWEQ-UHFFFAOYSA-N 1 0 334.463 4.440 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775552302 1051822337 /nfs/dbraw/zinc/82/23/37/1051822337.db2.gz UERRTHBZGADWPI-YOEHRIQHSA-N 1 0 337.847 4.327 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775552299 1051823530 /nfs/dbraw/zinc/82/35/30/1051823530.db2.gz UERRTHBZGADWPI-RHSMWYFYSA-N 1 0 337.847 4.327 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@](C)(Cc2ccccc2)C(C)C)c1O ZINC001183323985 1051824565 /nfs/dbraw/zinc/82/45/65/1051824565.db2.gz IZTKPQPJTWTLJA-OAQYLSRUSA-N 1 0 327.468 4.456 20 10 EICDRO CC[C@@H]([NH2+]CCOCC1CCC1)c1cc(Br)ccc1O ZINC000775556239 1051829869 /nfs/dbraw/zinc/82/98/69/1051829869.db2.gz UZFVTWSVYIRHMM-OAHLLOKOSA-N 1 0 342.277 4.012 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC001183337324 1051831257 /nfs/dbraw/zinc/83/12/57/1051831257.db2.gz VLEKYCJMFLBHBN-KRWDZBQOSA-N 1 0 343.492 4.204 20 10 EICDRO Oc1c(C[NH+]2CCN(c3cccc(F)c3)CC2)ccc2ccccc21 ZINC001183380097 1051840016 /nfs/dbraw/zinc/84/00/16/1051840016.db2.gz ZDSSLJAPEBDNRK-UHFFFAOYSA-N 1 0 336.410 4.007 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2O ZINC000775568448 1051863274 /nfs/dbraw/zinc/86/32/74/1051863274.db2.gz LHWGEPIMVFJWDF-BLLLJJGKSA-N 1 0 329.415 4.097 20 10 EICDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001183822752 1051909274 /nfs/dbraw/zinc/90/92/74/1051909274.db2.gz LVWJXSDCGWVJSC-KYPFXXDHSA-N 1 0 337.463 4.353 20 10 EICDRO Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(Br)cc1F ZINC001184208296 1051966329 /nfs/dbraw/zinc/96/63/29/1051966329.db2.gz ZSZRZAJEMVHZMA-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(Cl)c1[O-] ZINC001184238830 1051976053 /nfs/dbraw/zinc/97/60/53/1051976053.db2.gz GQYQOYXBDYOCJE-UHFFFAOYSA-N 1 0 327.815 4.068 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)CC2)cc1 ZINC000775606412 1052170806 /nfs/dbraw/zinc/17/08/06/1052170806.db2.gz MKEZQLPDICNHNH-LAUBAEHRSA-N 1 0 328.500 4.246 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001177086662 1052228813 /nfs/dbraw/zinc/22/88/13/1052228813.db2.gz NREFFZVQNCZPPG-VURMDHGXSA-N 1 0 348.494 4.104 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1O ZINC000184912136 1052295262 /nfs/dbraw/zinc/29/52/62/1052295262.db2.gz FBDCMBDQAWKHCZ-JTQLQIEISA-N 1 0 329.293 4.281 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1O)O[C@H](C)C2 ZINC000184898090 1052298540 /nfs/dbraw/zinc/29/85/40/1052298540.db2.gz MDRKAJRIQNRVNN-OLZOCXBDSA-N 1 0 345.414 4.104 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)c1 ZINC000184920576 1052309685 /nfs/dbraw/zinc/30/96/85/1052309685.db2.gz BMIREMYCAZIKQB-CQSZACIVSA-N 1 0 337.419 4.413 20 10 EICDRO COCc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000184942102 1052321577 /nfs/dbraw/zinc/32/15/77/1052321577.db2.gz ORAQJUILEXYGIK-HNNXBMFYSA-N 1 0 325.452 4.268 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000185011777 1052360563 /nfs/dbraw/zinc/36/05/63/1052360563.db2.gz RBUQRHVYLJVTPO-KDOFPFPSSA-N 1 0 348.512 4.196 20 10 EICDRO COCc1cccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185038650 1052387635 /nfs/dbraw/zinc/38/76/35/1052387635.db2.gz XOMFMBRULLUOPP-OAHLLOKOSA-N 1 0 325.452 4.268 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)c1 ZINC000185083527 1052402919 /nfs/dbraw/zinc/40/29/19/1052402919.db2.gz ZRJRJCJRUPLXTL-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000185157368 1052494346 /nfs/dbraw/zinc/49/43/46/1052494346.db2.gz HFBAULBZGABDHW-KGLIPLIRSA-N 1 0 342.414 4.070 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245847 1052549493 /nfs/dbraw/zinc/54/94/93/1052549493.db2.gz TWAJGBFQALPOCR-CABCVRRESA-N 1 0 348.487 4.156 20 10 EICDRO C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc(F)ccc1O ZINC000185241687 1052551345 /nfs/dbraw/zinc/55/13/45/1052551345.db2.gz FGORLXKWZIEOIZ-AWEZNQCLSA-N 1 0 348.487 4.156 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N2CCCC2)o1 ZINC000185298150 1052571541 /nfs/dbraw/zinc/57/15/41/1052571541.db2.gz YFKBLKYLNBDACB-FUHWJXTLSA-N 1 0 328.456 4.090 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1 ZINC000185318397 1052580375 /nfs/dbraw/zinc/58/03/75/1052580375.db2.gz COWVBULWAUEZFZ-CQSZACIVSA-N 1 0 330.497 4.319 20 10 EICDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185469832 1052611026 /nfs/dbraw/zinc/61/10/26/1052611026.db2.gz LWFQRFOSBXSWAG-JKSUJKDBSA-N 1 0 342.458 4.408 20 10 EICDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185525901 1052627528 /nfs/dbraw/zinc/62/75/28/1052627528.db2.gz SLSAWULEXPYQQJ-UZLBHIALSA-N 1 0 339.479 4.088 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185592720 1052651370 /nfs/dbraw/zinc/65/13/70/1052651370.db2.gz FQZDEPAPRSSZBY-CYBMUJFWSA-N 1 0 345.414 4.337 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(-n2cccn2)cc1 ZINC000185612197 1052658141 /nfs/dbraw/zinc/65/81/41/1052658141.db2.gz NHUNUIROTBCECC-KBPBESRZSA-N 1 0 325.387 4.129 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c(O)c1 ZINC000185721241 1052685783 /nfs/dbraw/zinc/68/57/83/1052685783.db2.gz JPKDHZYTDRGPPD-DYVFJYSZSA-N 1 0 327.449 4.300 20 10 EICDRO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)CCC4)CCCC2)n1 ZINC000764121818 1053032017 /nfs/dbraw/zinc/03/20/17/1053032017.db2.gz RCKUQKIMPLCYPR-UHFFFAOYSA-N 1 0 328.481 4.205 20 10 EICDRO Oc1ccc2ccccc2c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000764122592 1053032401 /nfs/dbraw/zinc/03/24/01/1053032401.db2.gz ZZBGDNAOBLIPMS-UHFFFAOYSA-N 1 0 333.431 4.341 20 10 EICDRO c1cc2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)ccc2cn1 ZINC000785426595 1053042849 /nfs/dbraw/zinc/04/28/49/1053042849.db2.gz PSWPQEQOFXGEIE-UHFFFAOYSA-N 1 0 349.503 4.078 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3O)c(O)c(C(C)(C)C)c1 ZINC000850121847 1053075905 /nfs/dbraw/zinc/07/59/05/1053075905.db2.gz ZFMWWTWOUPIJRW-GOSISDBHSA-N 1 0 341.451 4.181 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850137460 1053078131 /nfs/dbraw/zinc/07/81/31/1053078131.db2.gz PKGGDVRBINFWPI-UHFFFAOYSA-N 1 0 328.431 4.031 20 10 EICDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000119704232 1053091974 /nfs/dbraw/zinc/09/19/74/1053091974.db2.gz PASOSEHKCTZXAP-GOSISDBHSA-N 1 0 341.543 4.344 20 10 EICDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000850252953 1053099307 /nfs/dbraw/zinc/09/93/07/1053099307.db2.gz YOWKECBWHDNHLA-IAGOWNOFSA-N 1 0 342.483 4.017 20 10 EICDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000850294997 1053109406 /nfs/dbraw/zinc/10/94/06/1053109406.db2.gz OOXIJWXUWMAKMS-UHFFFAOYSA-N 1 0 331.378 4.130 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764463663 1053114274 /nfs/dbraw/zinc/11/42/74/1053114274.db2.gz PAXZECXKFRYBMA-APWZRJJASA-N 1 0 343.540 4.302 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402482 1053167250 /nfs/dbraw/zinc/16/72/50/1053167250.db2.gz MDTOALVWQDBYLB-OAHLLOKOSA-N 1 0 340.250 4.139 20 10 EICDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)C)c(F)c3)CCC2)c1 ZINC000850405188 1053176547 /nfs/dbraw/zinc/17/65/47/1053176547.db2.gz JGUQSARLCWTMFV-UHFFFAOYSA-N 1 0 328.431 4.069 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000764568113 1053191156 /nfs/dbraw/zinc/19/11/56/1053191156.db2.gz AHNGQIOZXJIFHO-SJORKVTESA-N 1 0 342.458 4.117 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)(C)C(F)F ZINC000850426081 1053197240 /nfs/dbraw/zinc/19/72/40/1053197240.db2.gz ZXPSGPWMNJOWSN-CYBMUJFWSA-N 1 0 328.472 4.009 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000775621557 1053203556 /nfs/dbraw/zinc/20/35/56/1053203556.db2.gz LMOSFSKPTXRKSP-SJORKVTESA-N 1 0 349.478 4.416 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)cc1 ZINC000850429233 1053205241 /nfs/dbraw/zinc/20/52/41/1053205241.db2.gz CIILBECJJWKJOW-HSALFYBXSA-N 1 0 328.500 4.078 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000775630419 1053216513 /nfs/dbraw/zinc/21/65/13/1053216513.db2.gz LCHLZRVSWWBFEH-HNNXBMFYSA-N 1 0 335.245 4.128 20 10 EICDRO C[C@@]1(O)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000794665104 1053238864 /nfs/dbraw/zinc/23/88/64/1053238864.db2.gz FMEHSTFNCVPJEI-HXUWFJFHSA-N 1 0 325.408 4.029 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654578 1053253782 /nfs/dbraw/zinc/25/37/82/1053253782.db2.gz DHGQHVFIPKOXPZ-ZBEGNZNMSA-N 1 0 339.357 4.327 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000850488657 1053255806 /nfs/dbraw/zinc/25/58/06/1053255806.db2.gz OJWPQTRGLGKGAS-BEFAXECRSA-N 1 0 340.492 4.101 20 10 EICDRO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515276 1053274494 /nfs/dbraw/zinc/27/44/94/1053274494.db2.gz VKHMTQJIIPLIIS-LEWJYISDSA-N 1 0 342.483 4.190 20 10 EICDRO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000850515012 1053274942 /nfs/dbraw/zinc/27/49/42/1053274942.db2.gz TWIXQKISBKUXSP-OALUTQOASA-N 1 0 329.440 4.138 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000764718108 1053278522 /nfs/dbraw/zinc/27/85/22/1053278522.db2.gz UJICUZNOJKRTSZ-INIZCTEOSA-N 1 0 336.483 4.029 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000764716726 1053278731 /nfs/dbraw/zinc/27/87/31/1053278731.db2.gz KBOXIYYSRMGKTN-KRWDZBQOSA-N 1 0 326.484 4.041 20 10 EICDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850526215 1053284330 /nfs/dbraw/zinc/28/43/30/1053284330.db2.gz UFSAXFSASRZVKI-MJGOQNOKSA-N 1 0 328.500 4.429 20 10 EICDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000850540548 1053301647 /nfs/dbraw/zinc/30/16/47/1053301647.db2.gz MOCQQKNIKABDHC-KLHJMIIUSA-N 1 0 349.478 4.341 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1O ZINC000850545139 1053304403 /nfs/dbraw/zinc/30/44/03/1053304403.db2.gz FDKCNNSFIQBWKM-RRQGHBQHSA-N 1 0 333.472 4.178 20 10 EICDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c1 ZINC000775644317 1053309707 /nfs/dbraw/zinc/30/97/07/1053309707.db2.gz HAXGWYWFDDOOHN-GOSISDBHSA-N 1 0 327.424 4.055 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C)cc1O ZINC000850557342 1053311609 /nfs/dbraw/zinc/31/16/09/1053311609.db2.gz WPWAURKMGFUKBW-JBACZVJFSA-N 1 0 327.468 4.500 20 10 EICDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000850556188 1053312307 /nfs/dbraw/zinc/31/23/07/1053312307.db2.gz RLZJVDVLWGEJMB-XPQZIERPSA-N 1 0 330.516 4.269 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850568388 1053323348 /nfs/dbraw/zinc/32/33/48/1053323348.db2.gz WVOBJJVXODCJCW-FQEVSTJZSA-N 1 0 344.524 4.340 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000850570196 1053325755 /nfs/dbraw/zinc/32/57/55/1053325755.db2.gz FSKZVWSTZHXMFH-GXTWGEPZSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850571624 1053326502 /nfs/dbraw/zinc/32/65/02/1053326502.db2.gz SIAUTGSCZXCWBR-NVXWUHKLSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000775644781 1053332633 /nfs/dbraw/zinc/33/26/33/1053332633.db2.gz UYWWWVDIBNWVJJ-INIZCTEOSA-N 1 0 349.272 4.139 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000120185644 1053339995 /nfs/dbraw/zinc/33/99/95/1053339995.db2.gz HKBSQHCEJYOLJN-BQFCYCMXSA-N 1 0 334.479 4.018 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000775650366 1053367748 /nfs/dbraw/zinc/36/77/48/1053367748.db2.gz YYIGCAPLNDPTMU-ACJLOTCBSA-N 1 0 327.424 4.282 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1O ZINC000794801068 1053384173 /nfs/dbraw/zinc/38/41/73/1053384173.db2.gz IAJJUIZXQDVTAM-UXHICEINSA-N 1 0 335.451 4.379 20 10 EICDRO Oc1c(Br)cccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000764935607 1053385128 /nfs/dbraw/zinc/38/51/28/1053385128.db2.gz ZROIKEXICLYDPB-UHFFFAOYSA-N 1 0 347.187 4.454 20 10 EICDRO CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C)cc1O ZINC000794792032 1053387565 /nfs/dbraw/zinc/38/75/65/1053387565.db2.gz KWSCDCLPAKADGC-HXUWFJFHSA-N 1 0 335.451 4.170 20 10 EICDRO CC[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794804942 1053390996 /nfs/dbraw/zinc/39/09/96/1053390996.db2.gz WJMXPLMASRTDNZ-IRXDYDNUSA-N 1 0 348.487 4.045 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794804943 1053392519 /nfs/dbraw/zinc/39/25/19/1053392519.db2.gz WJMXPLMASRTDNZ-SJORKVTESA-N 1 0 348.487 4.045 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000109761564 1053420042 /nfs/dbraw/zinc/42/00/42/1053420042.db2.gz OPZIITWXJBFKSE-FQEVSTJZSA-N 1 0 348.446 4.122 20 10 EICDRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)cc1O ZINC000794815125 1053422256 /nfs/dbraw/zinc/42/22/56/1053422256.db2.gz GKNQICPJVLNDPE-FQEVSTJZSA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1O ZINC000794815363 1053422386 /nfs/dbraw/zinc/42/23/86/1053422386.db2.gz KEGXUAYTCQENQI-HNAYVOBHSA-N 1 0 336.439 4.083 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000120383265 1053424147 /nfs/dbraw/zinc/42/41/47/1053424147.db2.gz QCVXJSRCSMTVSM-QFIPXVFZSA-N 1 0 336.479 4.405 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(C)n1)c1cc(Br)ccc1O ZINC000794827916 1053439869 /nfs/dbraw/zinc/43/98/69/1053439869.db2.gz MBVXEEDVMOHJOV-MRXNPFEDSA-N 1 0 349.272 4.142 20 10 EICDRO C[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000794832657 1053463254 /nfs/dbraw/zinc/46/32/54/1053463254.db2.gz ARQFRQQOYHGJMY-HNNXBMFYSA-N 1 0 346.471 4.000 20 10 EICDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000765263217 1053481333 /nfs/dbraw/zinc/48/13/33/1053481333.db2.gz ZGVQXPYFOMBXDA-IBGZPJMESA-N 1 0 340.515 4.395 20 10 EICDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765255992 1053483707 /nfs/dbraw/zinc/48/37/07/1053483707.db2.gz BYWUNGYCWMSIGP-QGZVFWFLSA-N 1 0 344.478 4.144 20 10 EICDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccc(F)cc2O1 ZINC000765281701 1053491069 /nfs/dbraw/zinc/49/10/69/1053491069.db2.gz RGNGLRSVEYJMAI-KRWDZBQOSA-N 1 0 327.399 4.153 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCCC1 ZINC000765298906 1053497491 /nfs/dbraw/zinc/49/74/91/1053497491.db2.gz XYPLUTLBZCWZTR-JOCHJYFZSA-N 1 0 344.543 4.344 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000765330877 1053504742 /nfs/dbraw/zinc/50/47/42/1053504742.db2.gz KTQGMEHMTCXTQG-IBGZPJMESA-N 1 0 327.472 4.177 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000765475908 1053559308 /nfs/dbraw/zinc/55/93/08/1053559308.db2.gz PQNGJPRZRWTKAR-OAHLLOKOSA-N 1 0 329.463 4.199 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000765475484 1053559466 /nfs/dbraw/zinc/55/94/66/1053559466.db2.gz VKOIOCZAMFURDQ-GOSISDBHSA-N 1 0 328.431 4.204 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCCO2 ZINC000765478927 1053562740 /nfs/dbraw/zinc/56/27/40/1053562740.db2.gz GUFDJBXJYFQAHY-HXUWFJFHSA-N 1 0 336.479 4.381 20 10 EICDRO CC(C)(C)OC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000120677579 1053562973 /nfs/dbraw/zinc/56/29/73/1053562973.db2.gz UBBRQSXCANBKJU-UHFFFAOYSA-N 1 0 335.488 4.175 20 10 EICDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c2c(c1)COCC2 ZINC000865725553 1053577957 /nfs/dbraw/zinc/57/79/57/1053577957.db2.gz LIHMNKGOALFXCC-UHFFFAOYSA-N 1 0 336.479 4.039 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000775693213 1053611897 /nfs/dbraw/zinc/61/18/97/1053611897.db2.gz WGAVLANLGWKUFY-LBPRGKRZSA-N 1 0 336.229 4.046 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242821 1053659377 /nfs/dbraw/zinc/65/93/77/1053659377.db2.gz SSJMCUUCDWIUHC-ROUUACIJSA-N 1 0 333.435 4.306 20 10 EICDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](CC(F)(F)F)O1 ZINC000853614425 1053689022 /nfs/dbraw/zinc/68/90/22/1053689022.db2.gz LLAJGAAIPRCODQ-OCCSQVGLSA-N 1 0 339.357 4.087 20 10 EICDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H](CC(F)(F)F)O1 ZINC000853614428 1053689266 /nfs/dbraw/zinc/68/92/66/1053689266.db2.gz LLAJGAAIPRCODQ-TZMCWYRMSA-N 1 0 339.357 4.087 20 10 EICDRO CC[C@@H]([NH2+]CCOC1CCCC1)c1cc(Br)ccc1O ZINC000111634287 1053716852 /nfs/dbraw/zinc/71/68/52/1053716852.db2.gz OQNWPHCJCSHEDT-OAHLLOKOSA-N 1 0 342.277 4.155 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000866407847 1053717826 /nfs/dbraw/zinc/71/78/26/1053717826.db2.gz YELRUZJLLDSKDS-BLLLJJGKSA-N 1 0 339.357 4.104 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485077 1053748596 /nfs/dbraw/zinc/74/85/96/1053748596.db2.gz LIMAOUDZMAHATL-KGLIPLIRSA-N 1 0 339.439 4.401 20 10 EICDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486146 1053749712 /nfs/dbraw/zinc/74/97/12/1053749712.db2.gz ZPDXMLPGVUYMQX-GPCCPHFNSA-N 1 0 342.370 4.277 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ncc(Br)s2)c(O)c1C ZINC000866619573 1053809045 /nfs/dbraw/zinc/80/90/45/1053809045.db2.gz FEAAVGXMDSHVEM-JTQLQIEISA-N 1 0 341.274 4.079 20 10 EICDRO COc1ccc(-c2cccnc2)cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168548856 1053810690 /nfs/dbraw/zinc/81/06/90/1053810690.db2.gz IXIKEMSEDDLPFC-GOSISDBHSA-N 1 0 345.446 4.341 20 10 EICDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765642561 1053829329 /nfs/dbraw/zinc/82/93/29/1053829329.db2.gz DKBFNOQRBCBRLG-KDOFPFPSSA-N 1 0 338.442 4.425 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1N1CCCCC1 ZINC001197177635 1053848121 /nfs/dbraw/zinc/84/81/21/1053848121.db2.gz SMWSTECTAJXVMM-NNWRFLSQSA-N 1 0 342.527 4.111 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776773285 1053866402 /nfs/dbraw/zinc/86/64/02/1053866402.db2.gz WOLIOERRYGRNAM-IBGZPJMESA-N 1 0 347.499 4.089 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1F ZINC000113326741 1053924425 /nfs/dbraw/zinc/92/44/25/1053924425.db2.gz XFOFSPZLODOCMK-QGZVFWFLSA-N 1 0 332.394 4.034 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1O ZINC000776819251 1053947738 /nfs/dbraw/zinc/94/77/38/1053947738.db2.gz VODOBKLFFLEIGZ-JTQLQIEISA-N 1 0 344.411 4.194 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000122681981 1054017956 /nfs/dbraw/zinc/01/79/56/1054017956.db2.gz OLNNADNBVHCIPO-IBGZPJMESA-N 1 0 328.431 4.204 20 10 EICDRO COc1cc2c(NCCCSc3nccs3)cc[nH+]c2cc1F ZINC000795096590 1054037716 /nfs/dbraw/zinc/03/77/16/1054037716.db2.gz ZVBMVFMMZGGPMN-UHFFFAOYSA-N 1 0 349.456 4.433 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122933330 1054061213 /nfs/dbraw/zinc/06/12/13/1054061213.db2.gz VLJWYZPRYUZQMG-HNNXBMFYSA-N 1 0 339.439 4.136 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122933091 1054061742 /nfs/dbraw/zinc/06/17/42/1054061742.db2.gz VLJWYZPRYUZQMG-OAHLLOKOSA-N 1 0 339.439 4.136 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000775835693 1054117841 /nfs/dbraw/zinc/11/78/41/1054117841.db2.gz HWTICSVBGDAACO-INIZCTEOSA-N 1 0 348.450 4.186 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC ZINC001199077719 1054340815 /nfs/dbraw/zinc/34/08/15/1054340815.db2.gz LRHYWCKVKQAGFT-UHFFFAOYSA-N 1 0 325.861 4.236 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128859 1054404549 /nfs/dbraw/zinc/40/45/49/1054404549.db2.gz ZVHGIKICQNWDRJ-COPLHBTASA-N 1 0 330.359 4.339 20 10 EICDRO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132135 1054407589 /nfs/dbraw/zinc/40/75/89/1054407589.db2.gz BZZAUGPGUIMIOO-HOCLYGCPSA-N 1 0 342.462 4.326 20 10 EICDRO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000858123245 1054421267 /nfs/dbraw/zinc/42/12/67/1054421267.db2.gz RDVPOKLESGRBBH-UHFFFAOYSA-N 1 0 340.458 4.325 20 10 EICDRO CC(C)([NH2+]Cc1c(O)cccc1Br)c1ccccc1F ZINC000858167951 1054429357 /nfs/dbraw/zinc/42/93/57/1054429357.db2.gz BIESKCGAKXTCBQ-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO CC(C)(C)c1ccncc1C[NH2+]Cc1c(O)cccc1Br ZINC000858177558 1054431940 /nfs/dbraw/zinc/43/19/40/1054431940.db2.gz QHMADLJKIXMKPW-UHFFFAOYSA-N 1 0 349.272 4.137 20 10 EICDRO Cc1cccc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1O ZINC000775992865 1054433498 /nfs/dbraw/zinc/43/34/98/1054433498.db2.gz ZJOFKPRSBJIGEA-QGZVFWFLSA-N 1 0 335.806 4.067 20 10 EICDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000775998252 1054434889 /nfs/dbraw/zinc/43/48/89/1054434889.db2.gz UCAZCNSTIVOGBP-KRWDZBQOSA-N 1 0 326.440 4.085 20 10 EICDRO CCC[N@H+](Cc1ccc(OCC)cc1O)[C@H]1CCCc2cccnc21 ZINC000775995557 1054435793 /nfs/dbraw/zinc/43/57/93/1054435793.db2.gz NQQCOFGJBAEURD-IBGZPJMESA-N 1 0 340.467 4.476 20 10 EICDRO Cc1ncc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC000776006760 1054441884 /nfs/dbraw/zinc/44/18/84/1054441884.db2.gz CQUFBMMRXLLLMF-MRXNPFEDSA-N 1 0 333.435 4.254 20 10 EICDRO Cc1ncc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cn1 ZINC000776006289 1054443001 /nfs/dbraw/zinc/44/30/01/1054443001.db2.gz CQUFBMMRXLLLMF-INIZCTEOSA-N 1 0 333.435 4.254 20 10 EICDRO CCCOc1c(C[NH2+]Cc2cc(C)ccc2O)cccc1OCC ZINC000858236978 1054443567 /nfs/dbraw/zinc/44/35/67/1054443567.db2.gz CCYGQDFZIUVBGN-UHFFFAOYSA-N 1 0 329.440 4.178 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776013843 1054443784 /nfs/dbraw/zinc/44/37/84/1054443784.db2.gz JEIYHHNXNUPCRC-IBGZPJMESA-N 1 0 329.827 4.067 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c1 ZINC000858238944 1054444968 /nfs/dbraw/zinc/44/49/68/1054444968.db2.gz FNZJYOJEJKCNMK-UHFFFAOYSA-N 1 0 329.293 4.028 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000776015947 1054449082 /nfs/dbraw/zinc/44/90/82/1054449082.db2.gz XVVLBEJPCDWYOY-UHFFFAOYSA-N 1 0 329.827 4.102 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)o1)Cc1ccc(N2CCCC2)cc1 ZINC001137068015 1054490596 /nfs/dbraw/zinc/49/05/96/1054490596.db2.gz RQDGUOJGYLHBFB-UHFFFAOYSA-N 1 0 339.483 4.112 20 10 EICDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858445516 1054491668 /nfs/dbraw/zinc/49/16/68/1054491668.db2.gz MEVSUHPGSZKRGS-DLBZAZTESA-N 1 0 334.479 4.283 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000873184911 1054504216 /nfs/dbraw/zinc/50/42/16/1054504216.db2.gz LNUILXBIYXYBMW-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124444807 1054515539 /nfs/dbraw/zinc/51/55/39/1054515539.db2.gz PZDBTJYPEAPBPO-UAOJZALGSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccns1 ZINC000858576201 1054522831 /nfs/dbraw/zinc/52/28/31/1054522831.db2.gz JEBYVVWMNPYOST-DTWKUNHWSA-N 1 0 327.247 4.023 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2c[nH]c3c2cccc3Cl)c1O ZINC000858600561 1054530827 /nfs/dbraw/zinc/53/08/27/1054530827.db2.gz XCGDDXNNRVJELS-LBPRGKRZSA-N 1 0 344.842 4.429 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 ZINC000124889322 1054634705 /nfs/dbraw/zinc/63/47/05/1054634705.db2.gz XTBNUNBKSSYYEI-IIBYNOLFSA-N 1 0 342.458 4.200 20 10 EICDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000776168778 1054800871 /nfs/dbraw/zinc/80/08/71/1054800871.db2.gz KXEYLZROVCMAJO-SXGZJXTBSA-N 1 0 330.447 4.319 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CCc2ncccc2C)cc1 ZINC001202505497 1054917714 /nfs/dbraw/zinc/91/77/14/1054917714.db2.gz RWBSGYCBCTVONE-UHFFFAOYSA-N 1 0 325.500 4.349 20 10 EICDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876571681 1054932270 /nfs/dbraw/zinc/93/22/70/1054932270.db2.gz CNQZAKZMDUXETD-GOSISDBHSA-N 1 0 338.495 4.149 20 10 EICDRO Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876630904 1054943525 /nfs/dbraw/zinc/94/35/25/1054943525.db2.gz NJBSDOKHAFLKPR-TXEJJXNPSA-N 1 0 341.295 4.263 20 10 EICDRO COCc1ccc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000126274502 1054991303 /nfs/dbraw/zinc/99/13/03/1054991303.db2.gz QLBADVLLDHREFY-UHFFFAOYSA-N 1 0 342.483 4.485 20 10 EICDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336611 1055045094 /nfs/dbraw/zinc/04/50/94/1055045094.db2.gz LCBOETKVNHNHCW-XLIONFOSSA-N 1 0 329.415 4.192 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CC=CCC2)cc1 ZINC001202218965 1055090582 /nfs/dbraw/zinc/09/05/82/1055090582.db2.gz BEKFECSWYANWOM-UHFFFAOYSA-N 1 0 349.522 4.065 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1F ZINC000126678157 1055109197 /nfs/dbraw/zinc/10/91/97/1055109197.db2.gz VOFKEVWAJMBQII-AWEZNQCLSA-N 1 0 328.431 4.068 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(Cl)c1 ZINC000877756574 1055114682 /nfs/dbraw/zinc/11/46/82/1055114682.db2.gz UHHLGDTZZKKGAH-ZIAGYGMSSA-N 1 0 346.858 4.422 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758386 1055117431 /nfs/dbraw/zinc/11/74/31/1055117431.db2.gz XLQYOWFZQOVCRA-CDXJDZJCSA-N 1 0 336.479 4.411 20 10 EICDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000776295935 1055179989 /nfs/dbraw/zinc/17/99/89/1055179989.db2.gz VIPSNQMINQTMMG-HNNXBMFYSA-N 1 0 337.427 4.175 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000826065309 1055384829 /nfs/dbraw/zinc/38/48/29/1055384829.db2.gz XJYAXGMTKFQDKZ-WBVHZDCISA-N 1 0 335.875 4.135 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000186361130 1055392551 /nfs/dbraw/zinc/39/25/51/1055392551.db2.gz RIJGFBZFZHXWAV-GFCCVEGCSA-N 1 0 333.378 4.409 20 10 EICDRO C[C@H](NCc1ccc2c(c1)CCCO2)c1nc(C2CCCCC2)no1 ZINC000921804292 1056597098 /nfs/dbraw/zinc/59/70/98/1056597098.db2.gz PCETVALRYFLVRV-AWEZNQCLSA-N 1 0 341.455 4.293 20 10 EICDRO Cc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742384951 1058587266 /nfs/dbraw/zinc/58/72/66/1058587266.db2.gz NOHBZEMTUVZMHX-QGZVFWFLSA-N 1 0 346.421 4.355 20 10 EICDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000742369416 1058596055 /nfs/dbraw/zinc/59/60/55/1058596055.db2.gz FYTMRWZCTXPNQT-HOCLYGCPSA-N 1 0 338.442 4.425 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(Br)cc2F)cc1C ZINC000742371065 1058596600 /nfs/dbraw/zinc/59/66/00/1058596600.db2.gz XOGTULOBXXCAEN-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000743474280 1059020118 /nfs/dbraw/zinc/02/01/18/1059020118.db2.gz RZYPIHWIUNRWBD-CVEARBPZSA-N 1 0 328.431 4.074 20 10 EICDRO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1O ZINC000743871162 1059190988 /nfs/dbraw/zinc/19/09/88/1059190988.db2.gz UIAITRGXFUBNID-UHFFFAOYSA-N 1 0 338.220 4.316 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869877 1059192801 /nfs/dbraw/zinc/19/28/01/1059192801.db2.gz DFZHTXNAFHSEAB-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304571 1059305667 /nfs/dbraw/zinc/30/56/67/1059305667.db2.gz NSQNNIVOYRIKOF-UWJYYQICSA-N 1 0 348.494 4.121 20 10 EICDRO C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640267 1059706675 /nfs/dbraw/zinc/70/66/75/1059706675.db2.gz BNPDNRQLUQFZLV-HZPDHXFCSA-N 1 0 330.447 4.093 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048884 1059984953 /nfs/dbraw/zinc/98/49/53/1059984953.db2.gz LHMLHUJNZIYTOF-BBWFWOEESA-N 1 0 342.458 4.290 20 10 EICDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000749298128 1060286296 /nfs/dbraw/zinc/28/62/96/1060286296.db2.gz VUNPNMLTRXCWDF-GOSISDBHSA-N 1 0 339.460 4.252 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000766438217 1060357802 /nfs/dbraw/zinc/35/78/02/1060357802.db2.gz RHTRCPZYYMKEDP-DZFGPLHGSA-N 1 0 330.516 4.269 20 10 EICDRO C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000766516377 1060476311 /nfs/dbraw/zinc/47/63/11/1060476311.db2.gz XBNANDKAWVJPGP-GOSISDBHSA-N 1 0 338.499 4.225 20 10 EICDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1N(C)C ZINC001169872570 1061016327 /nfs/dbraw/zinc/01/63/27/1061016327.db2.gz MBIMTQDSAJLLFA-NTSGDEEZSA-N 1 0 344.543 4.213 20 10 EICDRO C[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO[C@H]1C1CC1 ZINC000767196195 1061142472 /nfs/dbraw/zinc/14/24/72/1061142472.db2.gz TULWBZZAHJTPIU-VXKWHMMOSA-N 1 0 337.463 4.354 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)c(O)c1 ZINC000038018457 202387108 /nfs/dbraw/zinc/38/71/08/202387108.db2.gz YQTJKMPYQDXWSH-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018368 202387626 /nfs/dbraw/zinc/38/76/26/202387626.db2.gz KPAVHTANRLPDLG-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H](C)c3ccccc3O)cc2F)c1 ZINC000359998246 201124024 /nfs/dbraw/zinc/12/40/24/201124024.db2.gz WQCANTISKVZIHK-GJZGRUSLSA-N 1 0 339.414 4.437 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1Br ZINC000037105859 525155529 /nfs/dbraw/zinc/15/55/29/525155529.db2.gz CCHKYKUUKGWSDZ-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCC(F)(F)CC1 ZINC000690882852 1032236274 /nfs/dbraw/zinc/23/62/74/1032236274.db2.gz ZZPFFBCKPWKBJP-SNVBAGLBSA-N 1 0 348.231 4.458 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OCCOC)cc2)cc1 ZINC000154067657 1019336105 /nfs/dbraw/zinc/33/61/05/1019336105.db2.gz WHFZXYKUSUKXEN-KRWDZBQOSA-N 1 0 342.483 4.019 20 10 EICDRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000236707488 1032827039 /nfs/dbraw/zinc/82/70/39/1032827039.db2.gz GWTNYGULEDSUKA-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237468308 1032865709 /nfs/dbraw/zinc/86/57/09/1032865709.db2.gz XBNBEQITVMOXPD-MOPGFXCFSA-N 1 0 338.495 4.368 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1O ZINC000155369738 1020545870 /nfs/dbraw/zinc/54/58/70/1020545870.db2.gz BFGNMTFIFJIFEA-UWJYYQICSA-N 1 0 339.435 4.355 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000078996559 1021134536 /nfs/dbraw/zinc/13/45/36/1021134536.db2.gz ZKBXGBRGOLERTI-OAHLLOKOSA-N 1 0 330.497 4.052 20 10 EICDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397899630 1021696809 /nfs/dbraw/zinc/69/68/09/1021696809.db2.gz AWWGIHQAJDXZTQ-CABCVRRESA-N 1 0 348.487 4.143 20 10 EICDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397899646 1021698227 /nfs/dbraw/zinc/69/82/27/1021698227.db2.gz AWWGIHQAJDXZTQ-LSDHHAIUSA-N 1 0 348.487 4.143 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)ccn1 ZINC000177842258 1021738184 /nfs/dbraw/zinc/73/81/84/1021738184.db2.gz VTTUCPOPCGKQRO-KRWDZBQOSA-N 1 0 339.483 4.321 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177742305 1021856125 /nfs/dbraw/zinc/85/61/25/1021856125.db2.gz BBFIQQPCJCJTQI-LSDHHAIUSA-N 1 0 348.487 4.006 20 10 EICDRO CC[C@H](c1ccccc1O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905093 1022084255 /nfs/dbraw/zinc/08/42/55/1022084255.db2.gz HGKYVWCMIGVAMA-WMLDXEAASA-N 1 0 340.471 4.169 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1O ZINC000376325910 1022170126 /nfs/dbraw/zinc/17/01/26/1022170126.db2.gz TYHPKXDQKCGMGX-DLBZAZTESA-N 1 0 327.424 4.274 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782757519 1022352005 /nfs/dbraw/zinc/35/20/05/1022352005.db2.gz CAARKBPFUWQENQ-QFIPXVFZSA-N 1 0 338.495 4.319 20 10 EICDRO CN1CCc2cc(C[NH2+]Cc3ccc(-c4ccncc4)cc3)ccc21 ZINC000378254572 1022578445 /nfs/dbraw/zinc/57/84/45/1022578445.db2.gz UVOJWGZBONJCKW-UHFFFAOYSA-N 1 0 329.447 4.031 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(N(C)C)cc1 ZINC000163009075 1022801366 /nfs/dbraw/zinc/80/13/66/1022801366.db2.gz IDRDXWFTQRFCNQ-OAQYLSRUSA-N 1 0 342.483 4.019 20 10 EICDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858613 1022863870 /nfs/dbraw/zinc/86/38/70/1022863870.db2.gz DYSVHYBBFAVVLU-QAPCUYQASA-N 1 0 339.483 4.004 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000160832012 1022954516 /nfs/dbraw/zinc/95/45/16/1022954516.db2.gz JEUNYHFJPIWTLH-HRAATJIYSA-N 1 0 342.458 4.464 20 10 EICDRO COc1ccc(CCC[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000185147322 1023013522 /nfs/dbraw/zinc/01/35/22/1023013522.db2.gz KIEAVUDUJBULMO-HNNXBMFYSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC000248555346 1023074200 /nfs/dbraw/zinc/07/42/00/1023074200.db2.gz KIOXDJLLUSVEFG-CUWPLCDZSA-N 1 0 338.495 4.486 20 10 EICDRO c1csc(SCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166643785 1023114373 /nfs/dbraw/zinc/11/43/73/1023114373.db2.gz JHSOSBRZLJYARC-RDJZCZTQSA-N 1 0 348.537 4.383 20 10 EICDRO CC[C@@H]([NH2+]CC1(COC)CCC1)c1cc(Br)ccc1O ZINC000312424823 1023182372 /nfs/dbraw/zinc/18/23/72/1023182372.db2.gz AHDXSVFZZXNLRZ-CQSZACIVSA-N 1 0 342.277 4.012 20 10 EICDRO CC[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O ZINC000156273062 1023362946 /nfs/dbraw/zinc/36/29/46/1023362946.db2.gz IXFIHJCLOFYOBC-LJQANCHMSA-N 1 0 335.451 4.072 20 10 EICDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000707143484 1023490985 /nfs/dbraw/zinc/49/09/85/1023490985.db2.gz UDFMZISQOCFWIN-AWEZNQCLSA-N 1 0 332.241 4.144 20 10 EICDRO CCSc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892914750 1023497341 /nfs/dbraw/zinc/49/73/41/1023497341.db2.gz WWPVQVFZWQODDW-ZDUSSCGKSA-N 1 0 347.480 4.372 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@H+](C[C@@H]1CCOC1)C1CC1)CCCC3 ZINC000123811924 1023666269 /nfs/dbraw/zinc/66/62/69/1023666269.db2.gz RLTLESXNOFRSDG-AWEZNQCLSA-N 1 0 341.451 4.018 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)c(O)c1OC ZINC000893014806 1023668767 /nfs/dbraw/zinc/66/87/67/1023668767.db2.gz ZNKIHYITKLNSLE-SNVBAGLBSA-N 1 0 339.794 4.053 20 10 EICDRO CCOC(CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)OCC ZINC000276606914 1023799201 /nfs/dbraw/zinc/79/92/01/1023799201.db2.gz YUMUZQKKKZNESN-KRWDZBQOSA-N 1 0 334.504 4.117 20 10 EICDRO COc1ccc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)c(O)c1OC ZINC000891591794 1023804226 /nfs/dbraw/zinc/80/42/26/1023804226.db2.gz FTRQWGNWKBKGIS-CQSZACIVSA-N 1 0 327.424 4.135 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Br)cc1 ZINC000313263185 1024102284 /nfs/dbraw/zinc/10/22/84/1024102284.db2.gz ZDYNYFBAPAAKGS-NHYWBVRUSA-N 1 0 332.241 4.493 20 10 EICDRO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000022771658 1024956868 /nfs/dbraw/zinc/95/68/68/1024956868.db2.gz STBZJOMGVQEMRZ-UHFFFAOYSA-N 1 0 333.479 4.491 20 10 EICDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)c2ccccc2)n1 ZINC000277017308 1024998714 /nfs/dbraw/zinc/99/87/14/1024998714.db2.gz CVBLZQJPZZVHMR-KBXCAEBGSA-N 1 0 337.423 4.027 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000156684399 1025450710 /nfs/dbraw/zinc/45/07/10/1025450710.db2.gz KCBHXWMVEPJLIO-CQSZACIVSA-N 1 0 325.330 4.374 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000066969835 1025610636 /nfs/dbraw/zinc/61/06/36/1025610636.db2.gz DQMXOMBELQZPPB-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894514736 1026108302 /nfs/dbraw/zinc/10/83/02/1026108302.db2.gz BRVRYHIZLMXXQO-INIZCTEOSA-N 1 0 345.439 4.001 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(Br)s1 ZINC000226646886 1026319049 /nfs/dbraw/zinc/31/90/49/1026319049.db2.gz RAVOUAILXXAQRA-UHFFFAOYSA-N 1 0 346.677 4.202 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1cc(Br)ccc1O ZINC000062050873 1026393325 /nfs/dbraw/zinc/39/33/25/1026393325.db2.gz XITYGGOFMKXLFC-OAHLLOKOSA-N 1 0 335.245 4.099 20 10 EICDRO Cc1[nH+]c2ccccc2c(NCc2ccc(N3CCOCC3)cc2)c1C ZINC000302068181 1027205035 /nfs/dbraw/zinc/20/50/35/1027205035.db2.gz FVVKGINZEAMGOJ-UHFFFAOYSA-N 1 0 347.462 4.300 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(F)c(OC(F)F)c(F)c1 ZINC001167624607 1027451287 /nfs/dbraw/zinc/45/12/87/1027451287.db2.gz BRLQTKCRRWWXDV-UHFFFAOYSA-N 1 0 334.357 4.051 20 10 EICDRO COc1ccc(N2CC[NH+](C[C@@H](C)C3CCCCC3)CC2)cc1F ZINC001168069462 1027543577 /nfs/dbraw/zinc/54/35/77/1027543577.db2.gz XRQIJUMGUSQHDX-MRXNPFEDSA-N 1 0 334.479 4.173 20 10 EICDRO c1csc(SCCC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000925102193 1027698270 /nfs/dbraw/zinc/69/82/70/1027698270.db2.gz MBMNTZFCXPYJQF-HOCLYGCPSA-N 1 0 333.526 4.021 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281373935 1028572349 /nfs/dbraw/zinc/57/23/49/1028572349.db2.gz WUYQNBDAJBMWOU-FQEVSTJZSA-N 1 0 327.447 4.308 20 10 EICDRO COc1cc(C)c(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1OC ZINC000475196610 1029417891 /nfs/dbraw/zinc/41/78/91/1029417891.db2.gz KSMOXLYFAYEFBU-UHFFFAOYSA-N 1 0 338.451 4.102 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)cc1C ZINC000738099707 1029425743 /nfs/dbraw/zinc/42/57/43/1029425743.db2.gz OSHHCEAJHGJCAM-UHFFFAOYSA-N 1 0 325.452 4.300 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccn1 ZINC000158954523 1029629743 /nfs/dbraw/zinc/62/97/43/1029629743.db2.gz AOJZHNKAIJQXBH-AWEZNQCLSA-N 1 0 347.409 4.003 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000185125172 1030129951 /nfs/dbraw/zinc/12/99/51/1030129951.db2.gz FGOGZYVDZFMFLW-ZDUSSCGKSA-N 1 0 327.815 4.082 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185637101 1030211255 /nfs/dbraw/zinc/21/12/55/1030211255.db2.gz NIVLRRCXHOXRES-UHFFFAOYSA-N 1 0 333.431 4.029 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626048 1030290704 /nfs/dbraw/zinc/29/07/04/1030290704.db2.gz CIXUNYUCYXSAQJ-AZUAARDMSA-N 1 0 339.414 4.095 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)OC)c1 ZINC000527924346 1030922158 /nfs/dbraw/zinc/92/21/58/1030922158.db2.gz GRKJQCCZPWWTHU-DNVCBOLYSA-N 1 0 329.440 4.056 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2O)OC)c1 ZINC000527933238 1030973597 /nfs/dbraw/zinc/97/35/97/1030973597.db2.gz ZTCFIJVKGGIFKA-XIKOKIGWSA-N 1 0 335.831 4.093 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1O ZINC000179889418 1031556043 /nfs/dbraw/zinc/55/60/43/1031556043.db2.gz NEPVWQRDAABQFH-BZNIZROVSA-N 1 0 332.241 4.493 20 10 EICDRO 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QRDCVEWYJFQHBJ-HTQZYQBOSA-N 1 0 326.156 4.146 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000768272180 1045776070 /nfs/dbraw/zinc/77/60/70/1045776070.db2.gz QRDCVEWYJFQHBJ-SFYZADRCSA-N 1 0 326.156 4.146 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(N(C)C)cc1 ZINC000768285348 1045779252 /nfs/dbraw/zinc/77/92/52/1045779252.db2.gz LGVNSKDBTXLWJI-PMACEKPBSA-N 1 0 340.467 4.326 20 10 EICDRO COc1ccc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000768366764 1045800399 /nfs/dbraw/zinc/80/03/99/1045800399.db2.gz IWNQOZSXRHFUQJ-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000768443073 1045806914 /nfs/dbraw/zinc/80/69/14/1045806914.db2.gz OQUIOWYSTXRRPY-GOSISDBHSA-N 1 0 341.451 4.363 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)cc1OC ZINC000768444391 1045807517 /nfs/dbraw/zinc/80/75/17/1045807517.db2.gz AQXZAYXHVKNPLV-HZPDHXFCSA-N 1 0 341.451 4.096 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1OC ZINC000768443861 1045807680 /nfs/dbraw/zinc/80/76/80/1045807680.db2.gz VIKCOFLUCICKCO-GOSISDBHSA-N 1 0 341.451 4.007 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000768445096 1045807841 /nfs/dbraw/zinc/80/78/41/1045807841.db2.gz FKCLQNNWVIRPKY-HXUWFJFHSA-N 1 0 329.440 4.239 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(O)cc1C ZINC000768461808 1045811101 /nfs/dbraw/zinc/81/11/01/1045811101.db2.gz FGKSTNSRZLSFKQ-HNNXBMFYSA-N 1 0 347.842 4.016 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)cc1OC ZINC000768462088 1045811477 /nfs/dbraw/zinc/81/14/77/1045811477.db2.gz JBZUNPBDCIEUSF-GOSISDBHSA-N 1 0 341.451 4.363 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1O ZINC000768530612 1045817082 /nfs/dbraw/zinc/81/70/82/1045817082.db2.gz JICNQJITAXLZNO-UHFFFAOYSA-N 1 0 341.451 4.143 20 10 EICDRO COC[C@@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768541231 1045817619 /nfs/dbraw/zinc/81/76/19/1045817619.db2.gz LSTCUTABQXQFHP-QGZVFWFLSA-N 1 0 325.452 4.308 20 10 EICDRO COC[C@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768541224 1045818166 /nfs/dbraw/zinc/81/81/66/1045818166.db2.gz LSTCUTABQXQFHP-KRWDZBQOSA-N 1 0 325.452 4.308 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1C ZINC000763337013 1045828622 /nfs/dbraw/zinc/82/86/22/1045828622.db2.gz VCJXFMXZJKDLOT-HXUWFJFHSA-N 1 0 329.415 4.030 20 10 EICDRO CCC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1O ZINC000768664154 1045829024 /nfs/dbraw/zinc/82/90/24/1045829024.db2.gz MHZWFWWTAJORLR-UHFFFAOYSA-N 1 0 341.451 4.450 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000792191354 1045877205 /nfs/dbraw/zinc/87/72/05/1045877205.db2.gz YXODXOKOYHHVDM-HNNXBMFYSA-N 1 0 331.378 4.201 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147177 1045880447 /nfs/dbraw/zinc/88/04/47/1045880447.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 1 0 336.907 4.132 20 10 EICDRO CCCN(CCC)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000769188117 1045891891 /nfs/dbraw/zinc/89/18/91/1045891891.db2.gz OGVUJSXJGDRYKY-UHFFFAOYSA-N 1 0 340.515 4.347 20 10 EICDRO CCC[N@H+](Cc1ccc(OCC)c(OC)c1)Cc1ccccc1O ZINC000769200612 1045892051 /nfs/dbraw/zinc/89/20/51/1045892051.db2.gz CJYLUEGHWVHUQE-UHFFFAOYSA-N 1 0 329.440 4.212 20 10 EICDRO COc1cccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000769212747 1045895835 /nfs/dbraw/zinc/89/58/35/1045895835.db2.gz RJZSRGOSDUUKMV-RXVVDRJESA-N 1 0 341.451 4.001 20 10 EICDRO CCOc1cccc(C[N@H+](C)Cc2cc(C)c(OC)c(C)c2)c1O ZINC000769234847 1045897790 /nfs/dbraw/zinc/89/77/90/1045897790.db2.gz XMBTVESGKPTBMP-UHFFFAOYSA-N 1 0 329.440 4.048 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000769329503 1045924827 /nfs/dbraw/zinc/92/48/27/1045924827.db2.gz LYKSLFZNVMJEPZ-NRFANRHFSA-N 1 0 336.479 4.119 20 10 EICDRO CN(C)c1ccccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000744398800 1045940081 /nfs/dbraw/zinc/94/00/81/1045940081.db2.gz ZXHVHMBOLQSZAY-UHFFFAOYSA-N 1 0 336.435 4.254 20 10 EICDRO CCc1nn(C)c(CC)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769389624 1045946876 /nfs/dbraw/zinc/94/68/76/1045946876.db2.gz SBDJZERBQBAIDQ-UHFFFAOYSA-N 1 0 341.499 4.195 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1O ZINC000237397771 1045968645 /nfs/dbraw/zinc/96/86/45/1045968645.db2.gz VWBANSYZEMKWMA-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO Cc1ccc(O)c(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1 ZINC000769447560 1045974880 /nfs/dbraw/zinc/97/48/80/1045974880.db2.gz YCVCNRLIBIDXBY-HXUWFJFHSA-N 1 0 331.431 4.031 20 10 EICDRO C[N@H+](CCC1CCOCC1)Cc1cc(-c2ccccc2)ccc1O ZINC000769468206 1045982269 /nfs/dbraw/zinc/98/22/69/1045982269.db2.gz CRNUGGUFPHKCIP-UHFFFAOYSA-N 1 0 325.452 4.308 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1O ZINC000769512731 1046003644 /nfs/dbraw/zinc/00/36/44/1046003644.db2.gz PKYIFVYPYVEONB-MRXNPFEDSA-N 1 0 343.492 4.405 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000769533876 1046008692 /nfs/dbraw/zinc/00/86/92/1046008692.db2.gz QRTYKZNMEXFYNY-CYBMUJFWSA-N 1 0 334.485 4.482 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000769531479 1046009678 /nfs/dbraw/zinc/00/96/78/1046009678.db2.gz BJSGELISPQMJGC-INIZCTEOSA-N 1 0 347.842 4.098 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1 ZINC000769536743 1046012295 /nfs/dbraw/zinc/01/22/95/1046012295.db2.gz DMEMYMJVAYMGND-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000529641292 1046018459 /nfs/dbraw/zinc/01/84/59/1046018459.db2.gz LEZWUIVCKWXUHU-UHFFFAOYSA-N 1 0 347.462 4.191 20 10 EICDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823176 1046073353 /nfs/dbraw/zinc/07/33/53/1046073353.db2.gz QATPDWGHFDAFCV-AWEZNQCLSA-N 1 0 344.421 4.020 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000154043806 1046074668 /nfs/dbraw/zinc/07/46/68/1046074668.db2.gz AJFKQJFKEUXEOB-IAGOWNOFSA-N 1 0 334.467 4.350 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000154043513 1046075199 /nfs/dbraw/zinc/07/51/99/1046075199.db2.gz AJFKQJFKEUXEOB-IRXDYDNUSA-N 1 0 334.467 4.350 20 10 EICDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792929959 1046110772 /nfs/dbraw/zinc/11/07/72/1046110772.db2.gz FWMJRZSSKWKEOL-ZWKOTPCHSA-N 1 0 348.506 4.091 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(O)c1 ZINC000792970309 1046119986 /nfs/dbraw/zinc/11/99/86/1046119986.db2.gz SMTJQWVCWBSGOA-GFCCVEGCSA-N 1 0 338.373 4.328 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000793006100 1046124189 /nfs/dbraw/zinc/12/41/89/1046124189.db2.gz XRVFSBUYAOHHGU-ZDUSSCGKSA-N 1 0 337.389 4.060 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000770279179 1046167381 /nfs/dbraw/zinc/16/73/81/1046167381.db2.gz GFIQKRNJDHDJJP-WOJBJXKFSA-N 1 0 348.556 4.019 20 10 EICDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232307 1046179889 /nfs/dbraw/zinc/17/98/89/1046179889.db2.gz VKVDNABUTOFPLE-RHSMWYFYSA-N 1 0 326.406 4.450 20 10 EICDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232309 1046180021 /nfs/dbraw/zinc/18/00/21/1046180021.db2.gz VKVDNABUTOFPLE-WMLDXEAASA-N 1 0 326.406 4.450 20 10 EICDRO OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1O ZINC000770510020 1046209272 /nfs/dbraw/zinc/20/92/72/1046209272.db2.gz VPEJZVKLQCHHTC-UHFFFAOYSA-N 1 0 340.250 4.084 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000770504303 1046210596 /nfs/dbraw/zinc/21/05/96/1046210596.db2.gz CSHJCADHCFMZBA-UHFFFAOYSA-N 1 0 338.270 4.381 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000770506135 1046210687 /nfs/dbraw/zinc/21/06/87/1046210687.db2.gz UGMHGANRJBYARS-OAHLLOKOSA-N 1 0 331.843 4.337 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1O ZINC000793386495 1046229489 /nfs/dbraw/zinc/22/94/89/1046229489.db2.gz TYRKDMVJTKUVLD-JCNLHEQBSA-N 1 0 331.843 4.480 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000793528553 1046259909 /nfs/dbraw/zinc/25/99/09/1046259909.db2.gz LCFJINIYTXSQPF-MAUKXSAKSA-N 1 0 339.426 4.175 20 10 EICDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000793520753 1046264182 /nfs/dbraw/zinc/26/41/82/1046264182.db2.gz IZUJOUWWVINGNS-KRWDZBQOSA-N 1 0 332.532 4.200 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1F ZINC000793624140 1046316228 /nfs/dbraw/zinc/31/62/28/1046316228.db2.gz MCCOVTBDTOQSNI-UHFFFAOYSA-N 1 0 334.479 4.065 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3F)CC2)cc1 ZINC000917088510 1046674300 /nfs/dbraw/zinc/67/43/00/1046674300.db2.gz ZXLWYVDQXLLPNN-INIZCTEOSA-N 1 0 328.431 4.108 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c(O)c1 ZINC000785602357 1046716693 /nfs/dbraw/zinc/71/66/93/1046716693.db2.gz PIJDYEAJMBUCBG-VIFPVBQESA-N 1 0 346.374 4.117 20 10 EICDRO C[C@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2O ZINC000785569172 1046720918 /nfs/dbraw/zinc/72/09/18/1046720918.db2.gz AZCLAXKKEWEORG-LKTVYLICSA-N 1 0 331.362 4.332 20 10 EICDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000786585859 1046850945 /nfs/dbraw/zinc/85/09/45/1046850945.db2.gz YWVRJNCZPJNKBN-LPHOPBHVSA-N 1 0 335.447 4.108 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C)c2Br)cc1C ZINC000786822688 1046875795 /nfs/dbraw/zinc/87/57/95/1046875795.db2.gz BTSIMEYNYINEJO-UHFFFAOYSA-N 1 0 334.257 4.370 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1C ZINC000917468717 1046911075 /nfs/dbraw/zinc/91/10/75/1046911075.db2.gz UVXOQQNIDNWCFH-UHFFFAOYSA-N 1 0 347.405 4.331 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154425465 1046934951 /nfs/dbraw/zinc/93/49/51/1046934951.db2.gz COIKCAIRYUNLPJ-KUHUBIRLSA-N 1 0 348.487 4.262 20 10 EICDRO Cc1cscc1C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000787296951 1046971913 /nfs/dbraw/zinc/97/19/13/1046971913.db2.gz XHAPYHWRULLPDB-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO CCOc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1O ZINC000154464275 1047028454 /nfs/dbraw/zinc/02/84/54/1047028454.db2.gz PALPHQUKAYVQRI-UHFFFAOYSA-N 1 0 344.411 4.110 20 10 EICDRO Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000806130858 1047154369 /nfs/dbraw/zinc/15/43/69/1047154369.db2.gz DDVCNUXXKKMJKR-QGZVFWFLSA-N 1 0 327.859 4.112 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131122 1047155374 /nfs/dbraw/zinc/15/53/74/1047155374.db2.gz GOGRYKFUGFLXFD-NHYWBVRUSA-N 1 0 331.287 4.082 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000806175147 1047159905 /nfs/dbraw/zinc/15/99/05/1047159905.db2.gz VUQGLNORIMOELC-SJKOYZFVSA-N 1 0 339.357 4.104 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000806173788 1047160450 /nfs/dbraw/zinc/16/04/50/1047160450.db2.gz DJEWTCMVMIPQSA-YVEFUNNKSA-N 1 0 339.357 4.104 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000806172209 1047160728 /nfs/dbraw/zinc/16/07/28/1047160728.db2.gz HYBBWNYSGQAUCV-CSMYWGQOSA-N 1 0 346.421 4.111 20 10 EICDRO CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(Cl)c1O ZINC000806155414 1047180926 /nfs/dbraw/zinc/18/09/26/1047180926.db2.gz QSACOVZPBWYGCP-MRXNPFEDSA-N 1 0 328.803 4.190 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1O ZINC000806178098 1047186524 /nfs/dbraw/zinc/18/65/24/1047186524.db2.gz OSJYIXMMBHAQJQ-VXGBXAGGSA-N 1 0 344.318 4.257 20 10 EICDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000806180179 1047190363 /nfs/dbraw/zinc/19/03/63/1047190363.db2.gz LNFGNQDSBVIXQI-WCQYABFASA-N 1 0 340.250 4.126 20 10 EICDRO c1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]c2ccccc12 ZINC000788507020 1047206568 /nfs/dbraw/zinc/20/65/68/1047206568.db2.gz JFOGKBQCRMQTEF-UHFFFAOYSA-N 1 0 337.492 4.011 20 10 EICDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000788544207 1047217821 /nfs/dbraw/zinc/21/78/21/1047217821.db2.gz DCUJKXNYSQOFJT-NUJGCVRESA-N 1 0 332.463 4.028 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOCCc2ccccc2)c(O)c1 ZINC000788556451 1047222340 /nfs/dbraw/zinc/22/23/40/1047222340.db2.gz GARAOKHJPYROFM-GOSISDBHSA-N 1 0 327.468 4.309 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn2ccccc2n1 ZINC000788589479 1047238260 /nfs/dbraw/zinc/23/82/60/1047238260.db2.gz BTZDXJYCINWBAH-SFHVURJKSA-N 1 0 348.494 4.421 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000788590474 1047240528 /nfs/dbraw/zinc/24/05/28/1047240528.db2.gz GJOUXGXBCTUXCU-KRWDZBQOSA-N 1 0 339.483 4.177 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000788592620 1047241353 /nfs/dbraw/zinc/24/13/53/1047241353.db2.gz DXYIUFWGQOPAPJ-JKSUJKDBSA-N 1 0 348.487 4.059 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c(O)c1 ZINC000788594572 1047242274 /nfs/dbraw/zinc/24/22/74/1047242274.db2.gz NREZYKQXANKORX-GOEBONIOSA-N 1 0 346.421 4.217 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788613468 1047248972 /nfs/dbraw/zinc/24/89/72/1047248972.db2.gz XFWMMSPZMOVDQE-HZPDHXFCSA-N 1 0 348.487 4.059 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c(O)c1C ZINC000788619016 1047250166 /nfs/dbraw/zinc/25/01/66/1047250166.db2.gz CGSYZNKPEGGTPI-SCWSEQNSSA-N 1 0 327.468 4.418 20 10 EICDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788614666 1047250277 /nfs/dbraw/zinc/25/02/77/1047250277.db2.gz UEMOKTJLVZVLJO-CVEARBPZSA-N 1 0 329.440 4.136 20 10 EICDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788614670 1047250678 /nfs/dbraw/zinc/25/06/78/1047250678.db2.gz UEMOKTJLVZVLJO-HZPDHXFCSA-N 1 0 329.440 4.136 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000788621392 1047252737 /nfs/dbraw/zinc/25/27/37/1047252737.db2.gz XLLUDUPPMWIFSN-CVEARBPZSA-N 1 0 328.431 4.099 20 10 EICDRO C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C(F)(F)F)c1O ZINC000788720234 1047277894 /nfs/dbraw/zinc/27/78/94/1047277894.db2.gz UUUOSSSKUDOKEY-LLVKDONJSA-N 1 0 348.328 4.165 20 10 EICDRO Oc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788972792 1047337079 /nfs/dbraw/zinc/33/70/79/1047337079.db2.gz GHABPIYQBUPSDF-CQSZACIVSA-N 1 0 337.250 4.068 20 10 EICDRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000789762633 1047469750 /nfs/dbraw/zinc/46/97/50/1047469750.db2.gz ROSMXQFQTCXEPP-UHFFFAOYSA-N 1 0 347.817 4.280 20 10 EICDRO O=C(c1ccccc1Cl)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000898130287 1047552149 /nfs/dbraw/zinc/55/21/49/1047552149.db2.gz FODSBTQRUCZUPJ-UHFFFAOYSA-N 1 0 329.827 4.141 20 10 EICDRO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cccnc3)c2C)cc1 ZINC000746894164 1047560264 /nfs/dbraw/zinc/56/02/64/1047560264.db2.gz FQJVXBDYODBQKZ-UHFFFAOYSA-N 1 0 335.451 4.130 20 10 EICDRO COc1cc(C[NH2+][C@H](c2ccncc2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898321466 1047616466 /nfs/dbraw/zinc/61/64/66/1047616466.db2.gz SMVLSMDNIMXXMC-IBGZPJMESA-N 1 0 340.467 4.334 20 10 EICDRO CSC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000814178897 1047869258 /nfs/dbraw/zinc/86/92/58/1047869258.db2.gz IAZQSNKYMUKXMN-LBPRGKRZSA-N 1 0 344.318 4.038 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1O ZINC000814169932 1047872124 /nfs/dbraw/zinc/87/21/24/1047872124.db2.gz OOVCMJFIOMBUHT-NSHDSACASA-N 1 0 333.806 4.359 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000814170024 1047872226 /nfs/dbraw/zinc/87/22/26/1047872226.db2.gz QGGFVFHQKNIBCW-DLBZAZTESA-N 1 0 326.406 4.149 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cncc(Br)c1C ZINC000824649182 1047894636 /nfs/dbraw/zinc/89/46/36/1047894636.db2.gz AYYJIAOXWFHBAC-UHFFFAOYSA-N 1 0 349.272 4.270 20 10 EICDRO COC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000824758193 1047943390 /nfs/dbraw/zinc/94/33/90/1047943390.db2.gz NBNPDZKIXJATEL-HIFRSBDPSA-N 1 0 349.858 4.135 20 10 EICDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1C ZINC000824820432 1047956885 /nfs/dbraw/zinc/95/68/85/1047956885.db2.gz FSIJACZBIXBFSZ-OXJNMPFZSA-N 1 0 344.524 4.241 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)ccc1OC ZINC000824971345 1048012847 /nfs/dbraw/zinc/01/28/47/1048012847.db2.gz QXHFCNFGENWCDB-MRXNPFEDSA-N 1 0 346.298 4.295 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1O ZINC000808681069 1048033891 /nfs/dbraw/zinc/03/38/91/1048033891.db2.gz VYRQQTLKRYHWPV-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1O ZINC000808682007 1048036464 /nfs/dbraw/zinc/03/64/64/1048036464.db2.gz LHLWJFYUWYWYCP-CQSZACIVSA-N 1 0 330.859 4.020 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)c1 ZINC000825117487 1048039423 /nfs/dbraw/zinc/03/94/23/1048039423.db2.gz FLTUUYBWHSPPHN-KSSFIOAISA-N 1 0 326.440 4.023 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCNc2ccccn2)c1O ZINC000808692446 1048039607 /nfs/dbraw/zinc/03/96/07/1048039607.db2.gz URFIQHHHTPAECS-AWEZNQCLSA-N 1 0 333.863 4.292 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000825120943 1048041026 /nfs/dbraw/zinc/04/10/26/1048041026.db2.gz OMPNPMIEJICNCS-GFCCVEGCSA-N 1 0 344.842 4.090 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1Cl ZINC000825150890 1048044370 /nfs/dbraw/zinc/04/43/70/1048044370.db2.gz LLRNHBQJUOICEZ-RTBURBONSA-N 1 0 331.843 4.364 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1O ZINC000808672698 1048045190 /nfs/dbraw/zinc/04/51/90/1048045190.db2.gz RKCVKWMZBFMJIH-PBHICJAKSA-N 1 0 348.874 4.435 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000825291046 1048061727 /nfs/dbraw/zinc/06/17/27/1048061727.db2.gz CPJPJFAGIVQBPK-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000808715443 1048062203 /nfs/dbraw/zinc/06/22/03/1048062203.db2.gz FAEATSWVADKENI-CYBMUJFWSA-N 1 0 330.859 4.479 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000808715363 1048062401 /nfs/dbraw/zinc/06/24/01/1048062401.db2.gz KFCUEDOSBSRWIW-KUHUBIRLSA-N 1 0 333.859 4.302 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1O ZINC000808701745 1048083724 /nfs/dbraw/zinc/08/37/24/1048083724.db2.gz GYPMURHLWKCOJN-CQSZACIVSA-N 1 0 325.880 4.338 20 10 EICDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825529340 1048110300 /nfs/dbraw/zinc/11/03/00/1048110300.db2.gz AVYPHGJDHPYNOJ-GFCCVEGCSA-N 1 0 335.879 4.465 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)cc1Cl ZINC000825526433 1048111198 /nfs/dbraw/zinc/11/11/98/1048111198.db2.gz SCHJTBCBUVQTMS-MRXNPFEDSA-N 1 0 333.863 4.299 20 10 EICDRO Cc1csc(C2([NH2+]Cc3ccc(N(C)C)c(C)c3)CCCC2)n1 ZINC000815071510 1048318776 /nfs/dbraw/zinc/31/87/76/1048318776.db2.gz XLVKKSIKVXPEAK-UHFFFAOYSA-N 1 0 329.513 4.385 20 10 EICDRO CCc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000919941349 1048323398 /nfs/dbraw/zinc/32/33/98/1048323398.db2.gz XWRDVQJNRWZJKA-INIZCTEOSA-N 1 0 331.500 4.253 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)ccc1N(C)C ZINC000815085887 1048328350 /nfs/dbraw/zinc/32/83/50/1048328350.db2.gz FAJCXNVJZVMUJY-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000815119025 1048332649 /nfs/dbraw/zinc/33/26/49/1048332649.db2.gz VIJMTMDOKUPMEK-MRXNPFEDSA-N 1 0 342.483 4.319 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1O ZINC000155159331 1048382462 /nfs/dbraw/zinc/38/24/62/1048382462.db2.gz KCBUFHCUQIEHAF-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1O ZINC000809655180 1048454864 /nfs/dbraw/zinc/45/48/64/1048454864.db2.gz CVUJXEWZQOFZOT-GOSISDBHSA-N 1 0 333.859 4.203 20 10 EICDRO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704178 1048486285 /nfs/dbraw/zinc/48/62/85/1048486285.db2.gz WMSDRLNCROIGNQ-DYESRHJHSA-N 1 0 336.479 4.118 20 10 EICDRO CCn1cc(C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C(C)C)cn1 ZINC000844737448 1048495747 /nfs/dbraw/zinc/49/57/47/1048495747.db2.gz DATMZCJFZZGDHN-UHFFFAOYSA-N 1 0 345.487 4.022 20 10 EICDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716004 1048497357 /nfs/dbraw/zinc/49/73/57/1048497357.db2.gz PGELWEISHJWUKH-PGRDOPGGSA-N 1 0 336.479 4.106 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000809770321 1048501731 /nfs/dbraw/zinc/50/17/31/1048501731.db2.gz WCXGSPXKZJPFPA-UHFFFAOYSA-N 1 0 335.247 4.118 20 10 EICDRO COc1cccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1O ZINC000809735775 1048508640 /nfs/dbraw/zinc/50/86/40/1048508640.db2.gz SAYWEJBVVKBPJV-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO COc1cccc(O)c1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809736893 1048510122 /nfs/dbraw/zinc/51/01/22/1048510122.db2.gz MYDYIBZTAWRSQV-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)c1O ZINC000809739529 1048510621 /nfs/dbraw/zinc/51/06/21/1048510621.db2.gz NGLRYTDZHBDUKY-WBVHZDCISA-N 1 0 331.843 4.480 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)c1O ZINC000809740467 1048513117 /nfs/dbraw/zinc/51/31/17/1048513117.db2.gz ZQTMUSDUJXXGMA-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000809753938 1048519918 /nfs/dbraw/zinc/51/99/18/1048519918.db2.gz WUGDWALIXITUNR-UHFFFAOYSA-N 1 0 338.373 4.109 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC000809782936 1048531524 /nfs/dbraw/zinc/53/15/24/1048531524.db2.gz LUVWKXWBDHKHNQ-IBGZPJMESA-N 1 0 342.508 4.168 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)c1O ZINC000809784136 1048531848 /nfs/dbraw/zinc/53/18/48/1048531848.db2.gz RJWDCZJBXYCJOO-SFHVURJKSA-N 1 0 329.440 4.383 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000815600484 1048532668 /nfs/dbraw/zinc/53/26/68/1048532668.db2.gz UUWPFWBUNBPAEQ-OAHLLOKOSA-N 1 0 328.456 4.432 20 10 EICDRO CC(C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815572235 1048533807 /nfs/dbraw/zinc/53/38/07/1048533807.db2.gz XVVJVFJRVUGURV-ICSRJNTNSA-N 1 0 327.468 4.063 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788513 1048534108 /nfs/dbraw/zinc/53/41/08/1048534108.db2.gz SLMDEUYEMYZRIU-BZNIZROVSA-N 1 0 348.240 4.075 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1cccc(Cl)c1 ZINC000809792914 1048536223 /nfs/dbraw/zinc/53/62/23/1048536223.db2.gz KXYQNQLJWQNOBQ-INIZCTEOSA-N 1 0 340.250 4.485 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c(O)c1 ZINC000815572834 1048537418 /nfs/dbraw/zinc/53/74/18/1048537418.db2.gz OYEOVIVTNPOVNM-QGZVFWFLSA-N 1 0 335.451 4.088 20 10 EICDRO OCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCCC1 ZINC000815617740 1048544103 /nfs/dbraw/zinc/54/41/03/1048544103.db2.gz UQZPBALPZONLOX-HXUWFJFHSA-N 1 0 339.479 4.208 20 10 EICDRO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815618993 1048546913 /nfs/dbraw/zinc/54/69/13/1048546913.db2.gz ZJUWPZOBSITKQK-TYPHKJRUSA-N 1 0 339.479 4.207 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000815622300 1048547822 /nfs/dbraw/zinc/54/78/22/1048547822.db2.gz RDAPQYFAANRENR-PKOBYXMFSA-N 1 0 327.493 4.409 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815629323 1048552775 /nfs/dbraw/zinc/55/27/75/1048552775.db2.gz ZTWVTMUYPRKIQP-JKSUJKDBSA-N 1 0 328.431 4.078 20 10 EICDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)c(Cl)c1OC ZINC000815639044 1048565410 /nfs/dbraw/zinc/56/54/10/1048565410.db2.gz MJZPVFYFMFWVQT-ZDUSSCGKSA-N 1 0 349.858 4.265 20 10 EICDRO COCC1(CC[NH2+][C@H](C)c2ccc(Br)cc2O)CCC1 ZINC000815642372 1048566893 /nfs/dbraw/zinc/56/68/93/1048566893.db2.gz ADURYGHQAXJIMT-GFCCVEGCSA-N 1 0 342.277 4.012 20 10 EICDRO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815642900 1048568479 /nfs/dbraw/zinc/56/84/79/1048568479.db2.gz ONNYQWNGEKAOJA-ODIFPOPNSA-N 1 0 334.479 4.138 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1C ZINC000815645915 1048570861 /nfs/dbraw/zinc/57/08/61/1048570861.db2.gz UKNPRUVIJQOOAQ-CYBMUJFWSA-N 1 0 338.373 4.316 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649822 1048573757 /nfs/dbraw/zinc/57/37/57/1048573757.db2.gz ZSMQUIJYNBXYKE-RTHLEPHNSA-N 1 0 325.305 4.287 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(C(F)(F)F)cc1O ZINC000810215239 1048683895 /nfs/dbraw/zinc/68/38/95/1048683895.db2.gz UPJNYEGCDBUPOR-HNNXBMFYSA-N 1 0 325.330 4.358 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810217696 1048686179 /nfs/dbraw/zinc/68/61/79/1048686179.db2.gz ABGDDRFATZKIPW-ZFWWWQNUSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(C(F)(F)F)cc1O ZINC000810224728 1048691837 /nfs/dbraw/zinc/69/18/37/1048691837.db2.gz XGNBLRPUWQELOE-LJIGWXMPSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810224910 1048693019 /nfs/dbraw/zinc/69/30/19/1048693019.db2.gz ZTWOCZLNFGVFFE-HOTGVXAUSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227824 1048696126 /nfs/dbraw/zinc/69/61/26/1048696126.db2.gz KKCCQKYLCVELJW-AWEZNQCLSA-N 1 0 331.378 4.268 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C(F)(F)F)cc1O ZINC000810207619 1048704177 /nfs/dbraw/zinc/70/41/77/1048704177.db2.gz MMELWZGCMDZPDE-OAHLLOKOSA-N 1 0 349.356 4.300 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237378 1048719900 /nfs/dbraw/zinc/71/99/00/1048719900.db2.gz GUWCMJIVGUCZPD-HIFRSBDPSA-N 1 0 331.378 4.003 20 10 EICDRO COc1cccc(C2(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)CC2)c1 ZINC000810239837 1048722655 /nfs/dbraw/zinc/72/26/55/1048722655.db2.gz ICQFGFIPHUAHTG-INIZCTEOSA-N 1 0 325.452 4.400 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000845971029 1048773151 /nfs/dbraw/zinc/77/31/51/1048773151.db2.gz GOZGMJZTKCOOIL-SSUFTNFISA-N 1 0 342.395 4.063 20 10 EICDRO CCCOc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1OC ZINC000846059012 1048792221 /nfs/dbraw/zinc/79/22/21/1048792221.db2.gz WZAWYMPPQHDSDD-UHFFFAOYSA-N 1 0 335.831 4.133 20 10 EICDRO Cc1c(C[NH2+]Cc2cc(Cl)ccc2O)sc2nc(C)nc(C)c12 ZINC000846056791 1048808873 /nfs/dbraw/zinc/80/88/73/1048808873.db2.gz AQRDARGBHMEZQP-UHFFFAOYSA-N 1 0 347.871 4.265 20 10 EICDRO Oc1c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816483181 1048812526 /nfs/dbraw/zinc/81/25/26/1048812526.db2.gz IMZGNYKHTHELGJ-JOCHJYFZSA-N 1 0 347.458 4.491 20 10 EICDRO COc1ccccc1OCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816491887 1048814819 /nfs/dbraw/zinc/81/48/19/1048814819.db2.gz BICYGZBJAVFYNA-UHFFFAOYSA-N 1 0 337.419 4.065 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1O ZINC000846111172 1048815684 /nfs/dbraw/zinc/81/56/84/1048815684.db2.gz SFTWWURCYAPNAC-SNVBAGLBSA-N 1 0 338.662 4.118 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)c1O ZINC000846135041 1048819985 /nfs/dbraw/zinc/81/99/85/1048819985.db2.gz AHTJLOPZQYIXPR-CXAGYDPISA-N 1 0 348.874 4.008 20 10 EICDRO Oc1c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc2ccccc21 ZINC000816520377 1048820417 /nfs/dbraw/zinc/82/04/17/1048820417.db2.gz NSDCZPNYXUPWNL-MJGOQNOKSA-N 1 0 337.419 4.227 20 10 EICDRO CC[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000846105435 1048822205 /nfs/dbraw/zinc/82/22/05/1048822205.db2.gz VCRRMWRMIDFNKB-CQSZACIVSA-N 1 0 331.378 4.004 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000846149565 1048823198 /nfs/dbraw/zinc/82/31/98/1048823198.db2.gz JOPDIEUOIWLXBV-AVGNSLFASA-N 1 0 331.378 4.420 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000846149137 1048823678 /nfs/dbraw/zinc/82/36/78/1048823678.db2.gz WIEUQVVCXAFZPZ-SJCJKPOMSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)c1O ZINC000846149521 1048823795 /nfs/dbraw/zinc/82/37/95/1048823795.db2.gz ZSMNIACGBBFXRO-SJORKVTESA-N 1 0 340.467 4.029 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)ccc2ccccc21 ZINC000816528547 1048824064 /nfs/dbraw/zinc/82/40/64/1048824064.db2.gz HUGNCQSZXQBBKI-IBGZPJMESA-N 1 0 336.435 4.065 20 10 EICDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846148353 1048824024 /nfs/dbraw/zinc/82/40/24/1048824024.db2.gz QNGGPIGDUKYTJY-CABCVRRESA-N 1 0 329.440 4.254 20 10 EICDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846156771 1048825015 /nfs/dbraw/zinc/82/50/15/1048825015.db2.gz YBLUTGQGXYMWRT-UONOGXRCSA-N 1 0 339.439 4.182 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)c1O ZINC000846159540 1048825519 /nfs/dbraw/zinc/82/55/19/1048825519.db2.gz HINXJKHUIBWNIM-GFCCVEGCSA-N 1 0 333.378 4.409 20 10 EICDRO Oc1c(C[NH2+]CC2(c3ccccc3)CCOCC2)ccc2ccccc21 ZINC000816535403 1048825738 /nfs/dbraw/zinc/82/57/38/1048825738.db2.gz NSCMDAQSHYIVQA-UHFFFAOYSA-N 1 0 347.458 4.383 20 10 EICDRO CCCCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816543093 1048826464 /nfs/dbraw/zinc/82/64/64/1048826464.db2.gz OBGCFJPNSVVRSI-UHFFFAOYSA-N 1 0 336.435 4.409 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccsc2Br)c1O ZINC000846166642 1048827329 /nfs/dbraw/zinc/82/73/29/1048827329.db2.gz BLAMXJKEDBKQGK-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167707 1048827707 /nfs/dbraw/zinc/82/77/07/1048827707.db2.gz MTJVYAWCTQXZRB-SJLPKXTDSA-N 1 0 343.467 4.089 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000846168413 1048828644 /nfs/dbraw/zinc/82/86/44/1048828644.db2.gz CBOSUDYUCHBAJP-BBRMVZONSA-N 1 0 345.439 4.220 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1O ZINC000846167705 1048828751 /nfs/dbraw/zinc/82/87/51/1048828751.db2.gz BNWYATHNNICORY-JVLSTEMRSA-N 1 0 335.806 4.400 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1O ZINC000846136682 1048829918 /nfs/dbraw/zinc/82/99/18/1048829918.db2.gz NAPQRVWAQUTDDC-RYUDHWBXSA-N 1 0 337.366 4.414 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccsc1 ZINC000846139817 1048830118 /nfs/dbraw/zinc/83/01/18/1048830118.db2.gz UUKZDJUJKBUGTH-RHSMWYFYSA-N 1 0 348.512 4.196 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C(C)C)cc1 ZINC000846137998 1048830376 /nfs/dbraw/zinc/83/03/76/1048830376.db2.gz VXPJRSXFYNQFJB-KUHUBIRLSA-N 1 0 329.440 4.457 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)c1O ZINC000846141742 1048830526 /nfs/dbraw/zinc/83/05/26/1048830526.db2.gz NHNFYWDELHHVDK-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCCOc2ccc(C)cc2)c1O ZINC000846140825 1048831059 /nfs/dbraw/zinc/83/10/59/1048831059.db2.gz FZYMUSIOMDNIDC-MRXNPFEDSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cc(Cl)ccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551875 1048832401 /nfs/dbraw/zinc/83/24/01/1048832401.db2.gz RJFHDWKJXLGHPE-UHFFFAOYSA-N 1 0 327.811 4.497 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1Cl ZINC000816558401 1048834755 /nfs/dbraw/zinc/83/47/55/1048834755.db2.gz XOVDTNAORUMXDK-UHFFFAOYSA-N 1 0 327.811 4.497 20 10 EICDRO CC[C@@H](OCC[NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846183980 1048835313 /nfs/dbraw/zinc/83/53/13/1048835313.db2.gz VURVAJJCGSUTMZ-CRAIPNDOSA-N 1 0 329.440 4.219 20 10 EICDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1O ZINC000846187076 1048836991 /nfs/dbraw/zinc/83/69/91/1048836991.db2.gz HXYDTTKVLJCLIV-XOBRGWDASA-N 1 0 325.452 4.401 20 10 EICDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2cc(F)ccc2O1 ZINC000846201385 1048841252 /nfs/dbraw/zinc/84/12/52/1048841252.db2.gz LUEHQJHJWJNQED-CVEARBPZSA-N 1 0 327.399 4.411 20 10 EICDRO OCC1([C@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccccc2)CCC1 ZINC000816631055 1048845146 /nfs/dbraw/zinc/84/51/46/1048845146.db2.gz FDFZCBCAASFEOD-GOSISDBHSA-N 1 0 331.843 4.039 20 10 EICDRO Oc1c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)ccc2ccccc21 ZINC000816643201 1048846706 /nfs/dbraw/zinc/84/67/06/1048846706.db2.gz YANMMKACFPATBO-UHFFFAOYSA-N 1 0 346.352 4.292 20 10 EICDRO CCOc1cccc(Cl)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845181 1048924247 /nfs/dbraw/zinc/92/42/47/1048924247.db2.gz UQKWCSWCMRKTSO-GFCCVEGCSA-N 1 0 335.831 4.304 20 10 EICDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000772960135 1048998119 /nfs/dbraw/zinc/99/81/19/1048998119.db2.gz SBGWRISZTQHYPE-DRSNIGMVSA-N 1 0 336.479 4.422 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817574971 1049005426 /nfs/dbraw/zinc/00/54/26/1049005426.db2.gz STECBAWSLPHIMV-CQSZACIVSA-N 1 0 345.874 4.063 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Br)ccc1O ZINC000817589551 1049019431 /nfs/dbraw/zinc/01/94/31/1049019431.db2.gz OEXDFIZEEPXUJX-MRXNPFEDSA-N 1 0 349.272 4.407 20 10 EICDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939948 1049060744 /nfs/dbraw/zinc/06/07/44/1049060744.db2.gz DLJKWOWCCUKLSL-KDOFPFPSSA-N 1 0 339.508 4.318 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942783 1049061346 /nfs/dbraw/zinc/06/13/46/1049061346.db2.gz QYNUEXOVBKSRNM-HUUCEWRRSA-N 1 0 337.920 4.208 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942785 1049062564 /nfs/dbraw/zinc/06/25/64/1049062564.db2.gz QYNUEXOVBKSRNM-LSDHHAIUSA-N 1 0 337.920 4.208 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)cc1F ZINC000817958405 1049065787 /nfs/dbraw/zinc/06/57/87/1049065787.db2.gz VHPXFXLMJWYFEQ-NSHDSACASA-N 1 0 337.236 4.064 20 10 EICDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cc2c(cc1O)CCCC2 ZINC000817974516 1049074375 /nfs/dbraw/zinc/07/43/75/1049074375.db2.gz BUBROYRLURTSJP-HNNXBMFYSA-N 1 0 336.479 4.480 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817976331 1049074910 /nfs/dbraw/zinc/07/49/10/1049074910.db2.gz XVADVCAAQKEOIO-DLBZAZTESA-N 1 0 326.440 4.318 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)ccc3F)C2)cc1 ZINC000818116680 1049091252 /nfs/dbraw/zinc/09/12/52/1049091252.db2.gz OIKMUUGPZLUGTC-LSDHHAIUSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)c(F)c3)C2)cc1 ZINC000818117191 1049091658 /nfs/dbraw/zinc/09/16/58/1049091658.db2.gz VXGXXIVMBXFJNT-LSDHHAIUSA-N 1 0 346.421 4.151 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000811510866 1049122635 /nfs/dbraw/zinc/12/26/35/1049122635.db2.gz QJFAFQZYLUKZDF-UXHICEINSA-N 1 0 328.500 4.066 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512382 1049122901 /nfs/dbraw/zinc/12/29/01/1049122901.db2.gz CJTPUNOUVIZNSD-LJQANCHMSA-N 1 0 344.458 4.182 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000811510868 1049124851 /nfs/dbraw/zinc/12/48/51/1049124851.db2.gz QJFAFQZYLUKZDF-WOJBJXKFSA-N 1 0 328.500 4.066 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)cc1 ZINC000818327767 1049126817 /nfs/dbraw/zinc/12/68/17/1049126817.db2.gz ICEUJIKPRCADFG-IBGZPJMESA-N 1 0 337.492 4.283 20 10 EICDRO CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000818342925 1049134387 /nfs/dbraw/zinc/13/43/87/1049134387.db2.gz WMVBEKGWUGPRHV-LAUBAEHRSA-N 1 0 339.483 4.048 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C2)cc1 ZINC000818342770 1049135562 /nfs/dbraw/zinc/13/55/62/1049135562.db2.gz VMJVQDZDOARSJL-CABCVRRESA-N 1 0 344.421 4.232 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3csc(C)c3)C2)cc1 ZINC000818341906 1049136141 /nfs/dbraw/zinc/13/61/41/1049136141.db2.gz IVLWHCQQJYNONU-HOTGVXAUSA-N 1 0 330.497 4.242 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987459 1049267003 /nfs/dbraw/zinc/26/70/03/1049267003.db2.gz WEUJALBJIMXORP-DNVCBOLYSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc4oc5ccccc5c4cc3O)C2)c1 ZINC000811800155 1049270836 /nfs/dbraw/zinc/27/08/36/1049270836.db2.gz KVOJZIBCFUBRJF-MRXNPFEDSA-N 1 0 347.418 4.244 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670048 1049394145 /nfs/dbraw/zinc/39/41/45/1049394145.db2.gz PPVGKKMLHKBFSG-GOSISDBHSA-N 1 0 339.385 4.471 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)ccc1N(C)C ZINC000772995821 1049398932 /nfs/dbraw/zinc/39/89/32/1049398932.db2.gz FHPYHOQGCSPYAK-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)cc1 ZINC000772997482 1049497971 /nfs/dbraw/zinc/49/79/71/1049497971.db2.gz DBHQFZDTJPVZDO-CQSZACIVSA-N 1 0 340.446 4.019 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000812735599 1049555458 /nfs/dbraw/zinc/55/54/58/1049555458.db2.gz DMINRRXTFWDTKC-CVEARBPZSA-N 1 0 328.431 4.017 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812737423 1049556005 /nfs/dbraw/zinc/55/60/05/1049556005.db2.gz VQPJWECBGFSTHW-IRXDYDNUSA-N 1 0 341.474 4.069 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc2c(cc1O)CCCC2 ZINC000812738631 1049556885 /nfs/dbraw/zinc/55/68/85/1049556885.db2.gz XUUGLWCIBXNUEB-AWEZNQCLSA-N 1 0 335.451 4.009 20 10 EICDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000773071371 1049561875 /nfs/dbraw/zinc/56/18/75/1049561875.db2.gz UICKDJBPQVRBOJ-SFHVURJKSA-N 1 0 330.516 4.270 20 10 EICDRO CCC(CC)[C@@H](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000773083749 1049570086 /nfs/dbraw/zinc/57/00/86/1049570086.db2.gz NUBDJTOPCDKXDV-OAQYLSRUSA-N 1 0 348.531 4.095 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171381962 1049576733 /nfs/dbraw/zinc/57/67/33/1049576733.db2.gz IIQMGBVVXDVKIQ-GOSISDBHSA-N 1 0 330.422 4.020 20 10 EICDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773108511 1049585631 /nfs/dbraw/zinc/58/56/31/1049585631.db2.gz QYOBGLOPKPDYQG-YLJYHZDGSA-N 1 0 332.532 4.371 20 10 EICDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773108510 1049586436 /nfs/dbraw/zinc/58/64/36/1049586436.db2.gz QYOBGLOPKPDYQG-XLIONFOSSA-N 1 0 332.532 4.371 20 10 EICDRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000237570572 1049617489 /nfs/dbraw/zinc/61/74/89/1049617489.db2.gz XBNBEQITVMOXPD-RBUKOAKNSA-N 1 0 338.495 4.368 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000237574840 1049629333 /nfs/dbraw/zinc/62/93/33/1049629333.db2.gz LNQAIIVYKMWWBR-MGPUTAFESA-N 1 0 340.467 4.170 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831754 1049658386 /nfs/dbraw/zinc/65/83/86/1049658386.db2.gz SHNYJGVTHRTCHH-DLBZAZTESA-N 1 0 331.500 4.247 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000179534679 1049663784 /nfs/dbraw/zinc/66/37/84/1049663784.db2.gz KKHVJWHAKZJDNZ-ZDUSSCGKSA-N 1 0 345.414 4.372 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)ccc1O ZINC000715992940 1049665961 /nfs/dbraw/zinc/66/59/61/1049665961.db2.gz HGOZYPLNBBKPFG-JOYOIKCWSA-N 1 0 341.274 4.413 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)cc1 ZINC001171426456 1049666940 /nfs/dbraw/zinc/66/69/40/1049666940.db2.gz MJGJCHQIOUWLEC-NRFANRHFSA-N 1 0 326.459 4.489 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000813331751 1049752502 /nfs/dbraw/zinc/75/25/02/1049752502.db2.gz UCDDGKOXNCBQLM-JTQLQIEISA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CS[C@H](C(C)(C)C)C3)C2)cc1 ZINC000822494244 1049763253 /nfs/dbraw/zinc/76/32/53/1049763253.db2.gz KLRPATSBZOAGEL-MDZRGWNJSA-N 1 0 348.556 4.031 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(Cl)c1 ZINC000822530167 1049768327 /nfs/dbraw/zinc/76/83/27/1049768327.db2.gz SGUUABDZRXOFCG-GOSISDBHSA-N 1 0 335.875 4.135 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2C(C)C)cc1 ZINC001171729018 1049784716 /nfs/dbraw/zinc/78/47/16/1049784716.db2.gz DYMMVIXWGGPUQV-UHFFFAOYSA-N 1 0 326.484 4.387 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(Cl)c2F)cc1 ZINC001171730193 1049786168 /nfs/dbraw/zinc/78/61/68/1049786168.db2.gz RZEUCLOONKCCIV-UHFFFAOYSA-N 1 0 336.838 4.056 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccsc3)C2)cc1 ZINC000237895351 1049812942 /nfs/dbraw/zinc/81/29/42/1049812942.db2.gz DUBHFZLLKAOZPU-AWEZNQCLSA-N 1 0 338.423 4.108 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000813884706 1049831834 /nfs/dbraw/zinc/83/18/34/1049831834.db2.gz KYDNOEOHPMQALM-IQUTYRLHSA-N 1 0 330.497 4.167 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000813884578 1049831868 /nfs/dbraw/zinc/83/18/68/1049831868.db2.gz XGAOFNSCJUDCHC-CRAIPNDOSA-N 1 0 328.431 4.159 20 10 EICDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000823752627 1049874406 /nfs/dbraw/zinc/87/44/06/1049874406.db2.gz JFTXEDUVQVSQLR-CQSZACIVSA-N 1 0 336.204 4.071 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000823961139 1049887162 /nfs/dbraw/zinc/88/71/62/1049887162.db2.gz MGPZQVBHTSOXAT-UHFFFAOYSA-N 1 0 344.524 4.168 20 10 EICDRO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338083 1049888038 /nfs/dbraw/zinc/88/80/38/1049888038.db2.gz ACYNOFJHYNKIIU-HOTGVXAUSA-N 1 0 344.499 4.139 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000824007032 1049890266 /nfs/dbraw/zinc/89/02/66/1049890266.db2.gz MYILEYRDRSNUGA-IYARVYRRSA-N 1 0 344.524 4.025 20 10 EICDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000824074396 1049897706 /nfs/dbraw/zinc/89/77/06/1049897706.db2.gz URMLQODURXPFNK-SJLPKXTDSA-N 1 0 344.524 4.289 20 10 EICDRO CC(C)Oc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001177323414 1050191904 /nfs/dbraw/zinc/19/19/04/1050191904.db2.gz UULRYUNNSFEIDF-UHFFFAOYSA-N 1 0 334.410 4.108 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1 ZINC001177328183 1050192499 /nfs/dbraw/zinc/19/24/99/1050192499.db2.gz JCCAJBADQMUWPX-UHFFFAOYSA-N 1 0 348.494 4.223 20 10 EICDRO CC(C)c1ccc(OCC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001177411663 1050207567 /nfs/dbraw/zinc/20/75/67/1050207567.db2.gz MZISPVLAWRYHFB-UHFFFAOYSA-N 1 0 330.447 4.184 20 10 EICDRO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172873602 1050212314 /nfs/dbraw/zinc/21/23/14/1050212314.db2.gz VLUYWKUTOOXRDI-GFCCVEGCSA-N 1 0 349.833 4.270 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483282 1050221734 /nfs/dbraw/zinc/22/17/34/1050221734.db2.gz LJOWZHASXHETTM-GECPCNCSSA-N 1 0 340.442 4.408 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483284 1050222740 /nfs/dbraw/zinc/22/27/40/1050222740.db2.gz LJOWZHASXHETTM-MNKBLEIRSA-N 1 0 340.442 4.408 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1F ZINC001177554220 1050240657 /nfs/dbraw/zinc/24/06/57/1050240657.db2.gz QJTRLJZDPCZUQG-UHFFFAOYSA-N 1 0 340.414 4.496 20 10 EICDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000069716541 1050314488 /nfs/dbraw/zinc/31/44/88/1050314488.db2.gz IUADUXRAYBNYCQ-KXBFYZLASA-N 1 0 342.508 4.246 20 10 EICDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Oc1cccc(Cl)c1 ZINC001177929583 1050336553 /nfs/dbraw/zinc/33/65/53/1050336553.db2.gz ZDPLAYWQUSUTBC-JFDDCEBESA-N 1 0 344.886 4.476 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Oc1ccccc1F ZINC001177948571 1050345740 /nfs/dbraw/zinc/34/57/40/1050345740.db2.gz JVQXGSIAKNZWAD-KRWDZBQOSA-N 1 0 329.415 4.098 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173474770 1050457561 /nfs/dbraw/zinc/45/75/61/1050457561.db2.gz CIQHXOQNTQYIOH-UHFFFAOYSA-N 1 0 325.358 4.081 20 10 EICDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C1CC1 ZINC001178513695 1050487330 /nfs/dbraw/zinc/48/73/30/1050487330.db2.gz AMCJNNCMIMXXQK-UHFFFAOYSA-N 1 0 335.495 4.236 20 10 EICDRO COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cc3ccccc3cc2O)cc1 ZINC001173721348 1050555112 /nfs/dbraw/zinc/55/51/12/1050555112.db2.gz PWHVNNMOPKXWCB-HNNXBMFYSA-N 1 0 349.430 4.053 20 10 EICDRO CCCN(Cc1nc2ccc(Cl)cc2n1C)c1ccc(C[NH3+])cc1 ZINC000775140187 1050605039 /nfs/dbraw/zinc/60/50/39/1050605039.db2.gz KDYYOOBHLDVQEM-UHFFFAOYSA-N 1 0 342.874 4.102 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccc(C)cc3)no2)c1 ZINC000182363389 1050628608 /nfs/dbraw/zinc/62/86/08/1050628608.db2.gz GDBDAFNZLWRODI-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO CCSc1cccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001179128685 1050637723 /nfs/dbraw/zinc/63/77/23/1050637723.db2.gz DBYRXRGSCCTKSU-KRWDZBQOSA-N 1 0 342.508 4.176 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)CCCO2 ZINC001179205989 1050648693 /nfs/dbraw/zinc/64/86/93/1050648693.db2.gz ZQNKTLFIZLOXPC-ZDUSSCGKSA-N 1 0 346.421 4.207 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000773809303 1050659740 /nfs/dbraw/zinc/65/97/40/1050659740.db2.gz AXGOAUQVZLRUCO-QGZVFWFLSA-N 1 0 348.494 4.488 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000773811472 1050668446 /nfs/dbraw/zinc/66/84/46/1050668446.db2.gz NJNLSFDTMAGZOG-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000773811349 1050669939 /nfs/dbraw/zinc/66/99/39/1050669939.db2.gz LZKGLBJCVICUNN-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO CCCOc1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1C ZINC001179391647 1050688466 /nfs/dbraw/zinc/68/84/66/1050688466.db2.gz WZKGOIKFTHCAFM-UHFFFAOYSA-N 1 0 337.467 4.003 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1O ZINC001179493849 1050711943 /nfs/dbraw/zinc/71/19/43/1050711943.db2.gz HALLAJNAAOKYIX-ZDUSSCGKSA-N 1 0 338.363 4.411 20 10 EICDRO C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC001179877338 1050812393 /nfs/dbraw/zinc/81/23/93/1050812393.db2.gz CSAIVWREVVPJON-CQSZACIVSA-N 1 0 348.849 4.064 20 10 EICDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)c1O ZINC001179938420 1050822893 /nfs/dbraw/zinc/82/28/93/1050822893.db2.gz URIZLWXQHIWIAR-AWEZNQCLSA-N 1 0 333.859 4.426 20 10 EICDRO CC[C@H]1CCCC[C@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969929 1050835933 /nfs/dbraw/zinc/83/59/33/1050835933.db2.gz PLZCYWKSARZUHB-OALUTQOASA-N 1 0 330.516 4.424 20 10 EICDRO COCC[N@H+](Cc1ccc(C)cc1C)Cc1ccc(N(C)C)cc1C ZINC001180011897 1050854947 /nfs/dbraw/zinc/85/49/47/1050854947.db2.gz SWWQFHLTCQVINN-UHFFFAOYSA-N 1 0 340.511 4.326 20 10 EICDRO COC(=O)c1c(C[N@H+](C)C2CCC(C)CC2)c2cc(F)ccc2n1C ZINC001180108485 1050888637 /nfs/dbraw/zinc/88/86/37/1050888637.db2.gz RRJIIPBFRSUZQF-UHFFFAOYSA-N 1 0 346.446 4.115 20 10 EICDRO COc1ccc(C[C@@H]2CC[N@@H+]2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115665 1050890444 /nfs/dbraw/zinc/89/04/44/1050890444.db2.gz BMQLVOIZPJCJBF-FNEOHHHZSA-N 1 0 336.479 4.091 20 10 EICDRO CCc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154802 1050902939 /nfs/dbraw/zinc/90/29/39/1050902939.db2.gz XQAVJOXADSLTKY-UZLBHIALSA-N 1 0 325.452 4.225 20 10 EICDRO C[N@H+](Cc1ccoc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001180158651 1050904782 /nfs/dbraw/zinc/90/47/82/1050904782.db2.gz ZMFLIKIHZOQTLW-UHFFFAOYSA-N 1 0 332.447 4.474 20 10 EICDRO OC1CCN(c2ccc(C[N@H+](CC3CCCCC3)C3CC3)cc2)CC1 ZINC001180161527 1050905926 /nfs/dbraw/zinc/90/59/26/1050905926.db2.gz GBRRTYJREMVMTP-UHFFFAOYSA-N 1 0 342.527 4.192 20 10 EICDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC001180288128 1050955464 /nfs/dbraw/zinc/95/54/64/1050955464.db2.gz BPWMAQZKVNUSNK-AWEZNQCLSA-N 1 0 346.268 4.453 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC2CC2)c1F ZINC001180479710 1051000869 /nfs/dbraw/zinc/00/08/69/1051000869.db2.gz QYGGZSHUGQVQQG-UHFFFAOYSA-N 1 0 342.458 4.455 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)CCO2 ZINC001180586825 1051043597 /nfs/dbraw/zinc/04/35/97/1051043597.db2.gz ZSGGCTNRFQESLT-GOSISDBHSA-N 1 0 327.424 4.138 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](CC)c1ccccc1O)O[C@H](C)C2 ZINC000183349226 1051095702 /nfs/dbraw/zinc/09/57/02/1051095702.db2.gz LUUMCYPTQKMUHK-RDTXWAMCSA-N 1 0 341.451 4.355 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC001180942588 1051116541 /nfs/dbraw/zinc/11/65/41/1051116541.db2.gz JQQFRONYPXVXLS-JXFKEZNVSA-N 1 0 326.484 4.044 20 10 EICDRO CCc1nn(C)cc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000183443007 1051124332 /nfs/dbraw/zinc/12/43/32/1051124332.db2.gz KURFOOXCQHIBGL-UHFFFAOYSA-N 1 0 327.472 4.023 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000775375521 1051157071 /nfs/dbraw/zinc/15/70/71/1051157071.db2.gz MJTUBFLFIIJDPI-GFCCVEGCSA-N 1 0 342.370 4.046 20 10 EICDRO CC[N@H+](CCC1CC[NH+](Cc2cccc(F)c2[O-])CC1)CC(C)C ZINC001181515039 1051238210 /nfs/dbraw/zinc/23/82/10/1051238210.db2.gz QCKIGZXDEDXKQO-UHFFFAOYSA-N 1 0 336.495 4.111 20 10 EICDRO Cc1cccc(CN(CC[NH+](C)C)Cc2c(O)cc(C)cc2Cl)c1 ZINC001181496951 1051241147 /nfs/dbraw/zinc/24/11/47/1051241147.db2.gz ABGYQQKMIKGGEX-UHFFFAOYSA-N 1 0 346.902 4.226 20 10 EICDRO COc1cc(C)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c(O)c1 ZINC001181671064 1051274765 /nfs/dbraw/zinc/27/47/65/1051274765.db2.gz ADQQJXBYHDFIQO-UHFFFAOYSA-N 1 0 341.451 4.320 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)c1ccccc1O ZINC000775412768 1051279895 /nfs/dbraw/zinc/27/98/95/1051279895.db2.gz PVBQDUONKFNLMF-GOSISDBHSA-N 1 0 338.407 4.297 20 10 EICDRO CCC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001191174127 1051373770 /nfs/dbraw/zinc/37/37/70/1051373770.db2.gz MSZDVHZEXIPMAW-ZCNNSNEGSA-N 1 0 330.516 4.168 20 10 EICDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000809766023 1051442186 /nfs/dbraw/zinc/44/21/86/1051442186.db2.gz SJKLGFPAZVRBMB-HNNXBMFYSA-N 1 0 335.245 4.133 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271298 1051541291 /nfs/dbraw/zinc/54/12/91/1051541291.db2.gz IOLAIGPHQILJRY-VCXDHIOWSA-N 1 0 342.266 4.307 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1O ZINC000775487585 1051565405 /nfs/dbraw/zinc/56/54/05/1051565405.db2.gz LBTURWONFQNSRN-OAQYLSRUSA-N 1 0 349.478 4.478 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1O ZINC000775488869 1051569345 /nfs/dbraw/zinc/56/93/45/1051569345.db2.gz VVVWHUHNFXIZEV-CVEARBPZSA-N 1 0 338.904 4.451 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cn1 ZINC000775490566 1051576219 /nfs/dbraw/zinc/57/62/19/1051576219.db2.gz CUBPARLTEZGTOO-CQSZACIVSA-N 1 0 347.915 4.139 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1O ZINC000775496244 1051599661 /nfs/dbraw/zinc/59/96/61/1051599661.db2.gz IGCFTXMFQUDJPP-SXLOBPIMSA-N 1 0 329.415 4.492 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000774483744 1051609837 /nfs/dbraw/zinc/60/98/37/1051609837.db2.gz LXGHNHVAAQCGMP-KGLIPLIRSA-N 1 0 345.874 4.084 20 10 EICDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774485396 1051613391 /nfs/dbraw/zinc/61/33/91/1051613391.db2.gz UXBYBGQHPMBMHL-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774486711 1051614792 /nfs/dbraw/zinc/61/47/92/1051614792.db2.gz XFKAZPVOBFKAKN-OAHLLOKOSA-N 1 0 336.435 4.018 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1O ZINC000775508558 1051639301 /nfs/dbraw/zinc/63/93/01/1051639301.db2.gz VQJQHGZCWGQILZ-WBVHZDCISA-N 1 0 331.847 4.262 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510022 1051641013 /nfs/dbraw/zinc/64/10/13/1051641013.db2.gz UIXDBBOLOAMTMQ-HOCLYGCPSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1O ZINC000775508383 1051642521 /nfs/dbraw/zinc/64/25/21/1051642521.db2.gz IJBCMBSGZQVERJ-HNNXBMFYSA-N 1 0 334.803 4.237 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1OC ZINC001175522380 1051648561 /nfs/dbraw/zinc/64/85/61/1051648561.db2.gz GGPQVOCCEBZPEV-SFHVURJKSA-N 1 0 342.483 4.319 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775509080 1051649293 /nfs/dbraw/zinc/64/92/93/1051649293.db2.gz NAUHJTGONDAILH-GTNSWQLSSA-N 1 0 335.879 4.068 20 10 EICDRO CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cc(Cl)ccc1O ZINC000775513558 1051650746 /nfs/dbraw/zinc/65/07/46/1051650746.db2.gz RGHDZLFBARQTOP-INIZCTEOSA-N 1 0 325.880 4.419 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1cc(Cl)ccc1O ZINC000775513482 1051651953 /nfs/dbraw/zinc/65/19/53/1051651953.db2.gz ZQEAVCGDRNCCBO-WRMXOXQISA-N 1 0 343.920 4.166 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccccc1O ZINC000775514091 1051661534 /nfs/dbraw/zinc/66/15/34/1051661534.db2.gz VTHCIRACBVUINX-MOPGFXCFSA-N 1 0 335.451 4.150 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(Cl)ccc1O ZINC000775522486 1051694356 /nfs/dbraw/zinc/69/43/56/1051694356.db2.gz RAKYHWJXOCEMLS-MRXNPFEDSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775523910 1051699765 /nfs/dbraw/zinc/69/97/65/1051699765.db2.gz AYFARGCLTAKOLG-JKSUJKDBSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1O ZINC000763641751 1051700388 /nfs/dbraw/zinc/70/03/88/1051700388.db2.gz JKTNNWSFITWYDQ-UHFFFAOYSA-N 1 0 325.880 4.427 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775528402 1051739135 /nfs/dbraw/zinc/73/91/35/1051739135.db2.gz YBLBSXPZGLXAHA-PBQZTSCYSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC000775545236 1051798182 /nfs/dbraw/zinc/79/81/82/1051798182.db2.gz DHZVCQBTSBVTER-HNNXBMFYSA-N 1 0 334.803 4.237 20 10 EICDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(O)c1 ZINC001183137149 1051798096 /nfs/dbraw/zinc/79/80/96/1051798096.db2.gz PABFFKIBQKWOJE-IBGZPJMESA-N 1 0 338.451 4.016 20 10 EICDRO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1ccccc1O ZINC001203562312 1051816471 /nfs/dbraw/zinc/81/64/71/1051816471.db2.gz HSILNBGHSWCHEL-LBPRGKRZSA-N 1 0 332.241 4.102 20 10 EICDRO COC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCCCC1 ZINC000775564007 1051866545 /nfs/dbraw/zinc/86/65/45/1051866545.db2.gz YBJPDRMPSNCULN-GFCCVEGCSA-N 1 0 342.277 4.155 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775580486 1051885597 /nfs/dbraw/zinc/88/55/97/1051885597.db2.gz CHIOZNQTSOEEIH-CABCVRRESA-N 1 0 327.428 4.381 20 10 EICDRO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(Cl)cc3O)co2)cc1 ZINC001183754741 1051896123 /nfs/dbraw/zinc/89/61/23/1051896123.db2.gz JMSHXZAGJZKUTC-UHFFFAOYSA-N 1 0 328.799 4.299 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccn2)c1O ZINC001184154173 1051954343 /nfs/dbraw/zinc/95/43/43/1051954343.db2.gz PIXGUTZCKJYOAP-NRFANRHFSA-N 1 0 332.447 4.423 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306892 1052125274 /nfs/dbraw/zinc/12/52/74/1052125274.db2.gz MXRLJKBIUUXHPJ-NHCUHLMSSA-N 1 0 328.500 4.129 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C(C)=CCC[C@H]3C)CC2)cc1 ZINC000775606411 1052170641 /nfs/dbraw/zinc/17/06/41/1052170641.db2.gz MKEZQLPDICNHNH-DYESRHJHSA-N 1 0 328.500 4.246 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3C(C)=CCC[C@H]3C)CC2)cc1 ZINC000775606413 1052171658 /nfs/dbraw/zinc/17/16/58/1052171658.db2.gz MKEZQLPDICNHNH-UTKZUKDTSA-N 1 0 328.500 4.246 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1O ZINC000184857272 1052265860 /nfs/dbraw/zinc/26/58/60/1052265860.db2.gz YASVDIZVIBMWPD-YOEHRIQHSA-N 1 0 332.419 4.002 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184896584 1052296460 /nfs/dbraw/zinc/29/64/60/1052296460.db2.gz RNJFXPJVFXGCOR-RBZFPXEDSA-N 1 0 345.414 4.350 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)c1 ZINC000184902575 1052297884 /nfs/dbraw/zinc/29/78/84/1052297884.db2.gz MKRNOFJLSKDEBJ-CVEARBPZSA-N 1 0 329.440 4.219 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C)cc1O)O[C@H](C)C2 ZINC000184898000 1052298323 /nfs/dbraw/zinc/29/83/23/1052298323.db2.gz PDGCPFQMVBZLJC-CABCVRRESA-N 1 0 341.451 4.274 20 10 EICDRO COCc1ccccc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184925950 1052302832 /nfs/dbraw/zinc/30/28/32/1052302832.db2.gz CYHPQBVPYNFVPB-OAHLLOKOSA-N 1 0 325.452 4.268 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCOc2ccc(F)cc2)c1 ZINC000184995394 1052352873 /nfs/dbraw/zinc/35/28/73/1052352873.db2.gz NSSVXPXTCLUHDI-AWEZNQCLSA-N 1 0 333.403 4.050 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000185004458 1052358959 /nfs/dbraw/zinc/35/89/59/1052358959.db2.gz QGFHIBXRKZBYGV-MEDUHNTESA-N 1 0 333.428 4.428 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000185010219 1052360766 /nfs/dbraw/zinc/36/07/66/1052360766.db2.gz INAOLOFFXYSLQP-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC(C)C)cc2)c1 ZINC000185083508 1052396708 /nfs/dbraw/zinc/39/67/08/1052396708.db2.gz ZRJRJCJRUPLXTL-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO Cc1ccccc1C1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000185126797 1052447602 /nfs/dbraw/zinc/44/76/02/1052447602.db2.gz WRGIOLVRFOWEFO-INIZCTEOSA-N 1 0 343.442 4.239 20 10 EICDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OCC ZINC000072670538 1052552503 /nfs/dbraw/zinc/55/25/03/1052552503.db2.gz VFIYUEOQNCCJJJ-INIZCTEOSA-N 1 0 342.483 4.401 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N2CCCC2)o1 ZINC000185297853 1052571053 /nfs/dbraw/zinc/57/10/53/1052571053.db2.gz FERHOQOSWSVQHY-WMZOPIPTSA-N 1 0 328.456 4.090 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N2CCCC2)o1 ZINC000185297834 1052571239 /nfs/dbraw/zinc/57/12/39/1052571239.db2.gz FERHOQOSWSVQHY-AEFFLSMTSA-N 1 0 328.456 4.090 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H](O)c1ccc(F)cc1 ZINC000185468562 1052610950 /nfs/dbraw/zinc/61/09/50/1052610950.db2.gz MZUQLWXBFUAAJX-MNVSYLFESA-N 1 0 339.410 4.457 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630721 1052662460 /nfs/dbraw/zinc/66/24/60/1052662460.db2.gz KEBURQOQHAEHBN-KBXCAEBGSA-N 1 0 329.440 4.211 20 10 EICDRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185678638 1052677130 /nfs/dbraw/zinc/67/71/30/1052677130.db2.gz GPJPVPVGPVJGAT-ZDUSSCGKSA-N 1 0 328.456 4.235 20 10 EICDRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1O ZINC000186094843 1052870668 /nfs/dbraw/zinc/87/06/68/1052870668.db2.gz WJMVHADWBZXORW-LFPIHBKWSA-N 1 0 339.460 4.134 20 10 EICDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000186114516 1052889660 /nfs/dbraw/zinc/88/96/60/1052889660.db2.gz LWYASCWUCBNTCJ-AWEZNQCLSA-N 1 0 348.537 4.161 20 10 EICDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186129622 1052917377 /nfs/dbraw/zinc/91/73/77/1052917377.db2.gz GPIANMAGOGIKJJ-YJBOKZPZSA-N 1 0 329.484 4.413 20 10 EICDRO CCCC[N@H+](Cc1cccc(Br)n1)Cc1ccccc1O ZINC000794542803 1053062863 /nfs/dbraw/zinc/06/28/63/1053062863.db2.gz AAOVHMFAAVRYGD-UHFFFAOYSA-N 1 0 349.272 4.352 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(COC)cs2)cc1F ZINC000850128427 1053075682 /nfs/dbraw/zinc/07/56/82/1053075682.db2.gz BNTUBQGRMBNLTN-UHFFFAOYSA-N 1 0 336.476 4.170 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)cc1 ZINC000850347183 1053125190 /nfs/dbraw/zinc/12/51/90/1053125190.db2.gz PIDCXVBLGKERNQ-INIZCTEOSA-N 1 0 332.394 4.001 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000850362896 1053136392 /nfs/dbraw/zinc/13/63/92/1053136392.db2.gz UGFFSGBEPXCHIZ-OAQYLSRUSA-N 1 0 342.458 4.149 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000764504861 1053137889 /nfs/dbraw/zinc/13/78/89/1053137889.db2.gz RCGDLAUKHYJKBH-MRXNPFEDSA-N 1 0 344.886 4.070 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884073 1053146806 /nfs/dbraw/zinc/14/68/06/1053146806.db2.gz XFYBJOVWMXREGU-LEWJYISDSA-N 1 0 338.495 4.431 20 10 EICDRO Cc1cc(Br)c(C[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000850380534 1053152223 /nfs/dbraw/zinc/15/22/23/1053152223.db2.gz INXVZXQFVUESQL-UHFFFAOYSA-N 1 0 340.286 4.431 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]C3CCC(C4CCC4)CC3)cc2)CC1 ZINC000850406676 1053172089 /nfs/dbraw/zinc/17/20/89/1053172089.db2.gz PQFQKMQWGKFINW-UHFFFAOYSA-N 1 0 342.527 4.096 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404310 1053172844 /nfs/dbraw/zinc/17/28/44/1053172844.db2.gz GIEWVBDZCQYLOD-UHFFFAOYSA-N 1 0 347.405 4.089 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764564258 1053199215 /nfs/dbraw/zinc/19/92/15/1053199215.db2.gz PZOLDGRCTABSCU-PXNSSMCTSA-N 1 0 341.499 4.223 20 10 EICDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000850433207 1053205191 /nfs/dbraw/zinc/20/51/91/1053205191.db2.gz JVPRUVOLHSLPLW-UHFFFAOYSA-N 1 0 330.516 4.360 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000850482033 1053253920 /nfs/dbraw/zinc/25/39/20/1053253920.db2.gz MDJXAEDGMXIETH-SWLSCSKDSA-N 1 0 349.272 4.394 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)c1cccc(OC)c1 ZINC000850513007 1053269405 /nfs/dbraw/zinc/26/94/05/1053269405.db2.gz CFBLQAVSAGRIRJ-FZKQIMNGSA-N 1 0 349.858 4.401 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000850520707 1053277475 /nfs/dbraw/zinc/27/74/75/1053277475.db2.gz GOPAKSKUPQAWDU-HKUYNNGSSA-N 1 0 347.405 4.080 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1O ZINC000850543272 1053305309 /nfs/dbraw/zinc/30/53/09/1053305309.db2.gz HDPBPQQXAWWXGK-HWPZZCPQSA-N 1 0 348.240 4.198 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000775643022 1053306019 /nfs/dbraw/zinc/30/60/19/1053306019.db2.gz LGQALBSHHFVZRF-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000764774780 1053307261 /nfs/dbraw/zinc/30/72/61/1053307261.db2.gz RCQNHEASCVBRCR-LSDHHAIUSA-N 1 0 348.874 4.051 20 10 EICDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850555216 1053308296 /nfs/dbraw/zinc/30/82/96/1053308296.db2.gz NQPQGBRNFQLZRT-AGRHKRQWSA-N 1 0 333.859 4.454 20 10 EICDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850553782 1053309991 /nfs/dbraw/zinc/30/99/91/1053309991.db2.gz CPPPSHUCFUFECI-KLHKWILBSA-N 1 0 334.479 4.018 20 10 EICDRO COCC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(C)c1O ZINC000775644156 1053310762 /nfs/dbraw/zinc/31/07/62/1053310762.db2.gz DVJFRAPRLPLPFR-UHFFFAOYSA-N 1 0 325.861 4.064 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000850558955 1053316335 /nfs/dbraw/zinc/31/63/35/1053316335.db2.gz YCTMMQUTZJVWLP-GTNSWQLSSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000850565134 1053319181 /nfs/dbraw/zinc/31/91/81/1053319181.db2.gz BAWVFKSPMATLRJ-HNNXBMFYSA-N 1 0 344.886 4.152 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567362 1053321435 /nfs/dbraw/zinc/32/14/35/1053321435.db2.gz AUBWJNWLAMAQKI-NRFANRHFSA-N 1 0 330.516 4.096 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000850568389 1053322136 /nfs/dbraw/zinc/32/21/36/1053322136.db2.gz WVOBJJVXODCJCW-HXUWFJFHSA-N 1 0 344.524 4.340 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(C)c1 ZINC000850567345 1053322972 /nfs/dbraw/zinc/32/29/72/1053322972.db2.gz AEWPUKLQAHOMEL-JOCHJYFZSA-N 1 0 338.495 4.197 20 10 EICDRO C[C@@H]([NH2+]CCCc1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000850570303 1053324229 /nfs/dbraw/zinc/32/42/29/1053324229.db2.gz ULBSMOIXRDWUDW-OAHLLOKOSA-N 1 0 348.874 4.053 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850570282 1053325109 /nfs/dbraw/zinc/32/51/09/1053325109.db2.gz SZZFJKYZMOICIC-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1nccn1C ZINC000850572495 1053326547 /nfs/dbraw/zinc/32/65/47/1053326547.db2.gz KSCGLTNKRLJNKO-IRXDYDNUSA-N 1 0 326.488 4.212 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc2ccccc2c1O ZINC000850572094 1053326981 /nfs/dbraw/zinc/32/69/81/1053326981.db2.gz AJZQVVRNYFHZGH-CKJXQJPGSA-N 1 0 335.447 4.361 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850571628 1053327605 /nfs/dbraw/zinc/32/76/05/1053327605.db2.gz SIAUTGSCZXCWBR-WBVHZDCISA-N 1 0 334.479 4.282 20 10 EICDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CC(C)(C)C2)c1O ZINC000850575590 1053330299 /nfs/dbraw/zinc/33/02/99/1053330299.db2.gz ADUJAJAETZGLNI-SECBINFHSA-N 1 0 328.250 4.003 20 10 EICDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000850585232 1053334372 /nfs/dbraw/zinc/33/43/72/1053334372.db2.gz XQNDIKGNOQSJML-GXZWQRSESA-N 1 0 325.452 4.044 20 10 EICDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584373 1053335004 /nfs/dbraw/zinc/33/50/04/1053335004.db2.gz QWHBIDRJBZAIST-NPPFBWRTSA-N 1 0 338.495 4.450 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000764884381 1053355356 /nfs/dbraw/zinc/35/53/56/1053355356.db2.gz ZSTUYWMRJVCHKG-MOPGFXCFSA-N 1 0 337.511 4.320 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C(C)C)c1O ZINC000764978314 1053395903 /nfs/dbraw/zinc/39/59/03/1053395903.db2.gz WHHGXSCENNHKSQ-PXNSSMCTSA-N 1 0 325.452 4.450 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1O ZINC000794803147 1053397193 /nfs/dbraw/zinc/39/71/93/1053397193.db2.gz QPPKRNHFVCOHLO-PZJWPPBQSA-N 1 0 343.467 4.262 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1O ZINC000794807028 1053400999 /nfs/dbraw/zinc/40/09/99/1053400999.db2.gz JFEVQCHOQPFVJY-UZLBHIALSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000794806704 1053402614 /nfs/dbraw/zinc/40/26/14/1053402614.db2.gz VMEPKHMBMCCBQQ-GOSISDBHSA-N 1 0 329.440 4.001 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2OC(C)C)cc1 ZINC000764985806 1053402971 /nfs/dbraw/zinc/40/29/71/1053402971.db2.gz VDFNXOMKQGOAPI-INIZCTEOSA-N 1 0 327.472 4.176 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1O ZINC000794806034 1053405696 /nfs/dbraw/zinc/40/56/96/1053405696.db2.gz ZQSBFHQCQYIQFT-JXFKEZNVSA-N 1 0 342.458 4.407 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)cc1O ZINC000794815130 1053421769 /nfs/dbraw/zinc/42/17/69/1053421769.db2.gz GKNQICPJVLNDPE-HXUWFJFHSA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794814640 1053423978 /nfs/dbraw/zinc/42/39/78/1053423978.db2.gz HGDVVMLMJCXZMV-IRXDYDNUSA-N 1 0 348.487 4.045 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812346 1053427990 /nfs/dbraw/zinc/42/79/90/1053427990.db2.gz WCOIGSOCNZFLIC-CCKFTAQKSA-N 1 0 331.431 4.393 20 10 EICDRO CC[C@H]([NH2+][C@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816616 1053431561 /nfs/dbraw/zinc/43/15/61/1053431561.db2.gz LOURPKNANSQJQD-ZWKOTPCHSA-N 1 0 335.394 4.407 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1O ZINC000794817710 1053432031 /nfs/dbraw/zinc/43/20/31/1053432031.db2.gz VDCSQXMZDVIFKD-IEBWSBKVSA-N 1 0 333.859 4.302 20 10 EICDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(C)c1O ZINC000775662672 1053437293 /nfs/dbraw/zinc/43/72/93/1053437293.db2.gz VOQJOPWGICRPIA-UHFFFAOYSA-N 1 0 349.478 4.444 20 10 EICDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765080611 1053438235 /nfs/dbraw/zinc/43/82/35/1053438235.db2.gz RBDQCSZLVDFPLE-KBPBESRZSA-N 1 0 344.421 4.066 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCCOC)Cc1ccccc1)c1ccccc1O ZINC000794822226 1053438249 /nfs/dbraw/zinc/43/82/49/1053438249.db2.gz AZMDOIJSCZRASH-ICSRJNTNSA-N 1 0 327.468 4.471 20 10 EICDRO CCC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000794832472 1053443535 /nfs/dbraw/zinc/44/35/35/1053443535.db2.gz SLEHMTOJLASYHO-TYCQWZJGSA-N 1 0 326.484 4.306 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)cc1OC ZINC000775670193 1053473940 /nfs/dbraw/zinc/47/39/40/1053473940.db2.gz VYUKNZXAOFQIRT-UHFFFAOYSA-N 1 0 347.430 4.349 20 10 EICDRO C[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765238888 1053474374 /nfs/dbraw/zinc/47/43/74/1053474374.db2.gz OWWHKSYVCQGNDL-SFHVURJKSA-N 1 0 326.484 4.053 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000765278449 1053487577 /nfs/dbraw/zinc/48/75/77/1053487577.db2.gz ZZJDFOTXTPEXGE-GOSISDBHSA-N 1 0 337.511 4.462 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120547583 1053496173 /nfs/dbraw/zinc/49/61/73/1053496173.db2.gz XNCNVYIBTIFTOD-QGZVFWFLSA-N 1 0 347.480 4.034 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000765330880 1053504575 /nfs/dbraw/zinc/50/45/75/1053504575.db2.gz KTQGMEHMTCXTQG-LJQANCHMSA-N 1 0 327.472 4.177 20 10 EICDRO CC[C@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851841915 1053523170 /nfs/dbraw/zinc/52/31/70/1053523170.db2.gz ZUMARYQPOJIVDK-GDBMZVCRSA-N 1 0 327.415 4.055 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765459168 1053555846 /nfs/dbraw/zinc/55/58/46/1053555846.db2.gz DPSJOGBCQXKZCH-OXQOHEQNSA-N 1 0 342.458 4.464 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765459171 1053555896 /nfs/dbraw/zinc/55/58/96/1053555896.db2.gz DPSJOGBCQXKZCH-UZLBHIALSA-N 1 0 342.458 4.464 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000765478952 1053561455 /nfs/dbraw/zinc/56/14/55/1053561455.db2.gz HAAFHCNQPITHJS-IBGZPJMESA-N 1 0 339.439 4.218 20 10 EICDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765476586 1053562853 /nfs/dbraw/zinc/56/28/53/1053562853.db2.gz XYQCXXSBGQPGHG-SFHVURJKSA-N 1 0 328.431 4.204 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000765484245 1053564076 /nfs/dbraw/zinc/56/40/76/1053564076.db2.gz AKELXNIHMLZGIG-CQSZACIVSA-N 1 0 328.431 4.068 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1N(C)C ZINC000765483037 1053568723 /nfs/dbraw/zinc/56/87/23/1053568723.db2.gz XDUDUEMJIKOKSF-HNNXBMFYSA-N 1 0 341.474 4.125 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1cccc(OC)c1OC ZINC000865759440 1053584637 /nfs/dbraw/zinc/58/46/37/1053584637.db2.gz WAGMIQOXXUMVNA-QGZVFWFLSA-N 1 0 329.440 4.267 20 10 EICDRO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1ccccc1O ZINC000171926003 1053585633 /nfs/dbraw/zinc/58/56/33/1053585633.db2.gz VYDOGCXRVOPHBU-GFCCVEGCSA-N 1 0 331.366 4.330 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(OC)c1OC ZINC000865759054 1053585978 /nfs/dbraw/zinc/58/59/78/1053585978.db2.gz SAIMKKLIXUDCFT-SFHVURJKSA-N 1 0 328.456 4.011 20 10 EICDRO CCOc1cccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000865782296 1053592061 /nfs/dbraw/zinc/59/20/61/1053592061.db2.gz PXFYPEXPYOJDJH-GXTWGEPZSA-N 1 0 329.362 4.025 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1O ZINC000794891594 1053634437 /nfs/dbraw/zinc/63/44/37/1053634437.db2.gz GYAWGLYDQLUEIP-FQEVSTJZSA-N 1 0 329.415 4.012 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853094328 1053645028 /nfs/dbraw/zinc/64/50/28/1053645028.db2.gz BEHJMYXRHANNPM-UHFFFAOYSA-N 1 0 337.389 4.236 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2O ZINC000853239983 1053656300 /nfs/dbraw/zinc/65/63/00/1053656300.db2.gz FDDRXGIEXVMCBE-NOZJJQNGSA-N 1 0 340.320 4.283 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](C)CCc2cncc3ccccc32)c1 ZINC000866298257 1053683135 /nfs/dbraw/zinc/68/31/35/1053683135.db2.gz WDEJWYVMIZWQHK-OAHLLOKOSA-N 1 0 336.435 4.060 20 10 EICDRO Cc1cccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000775727359 1053696997 /nfs/dbraw/zinc/69/69/97/1053696997.db2.gz CSBJFTAEUWPNBL-UHFFFAOYSA-N 1 0 340.250 4.002 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866406695 1053716887 /nfs/dbraw/zinc/71/68/87/1053716887.db2.gz GNECBACLJLEQRD-MLGOLLRUSA-N 1 0 339.357 4.104 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866408755 1053717207 /nfs/dbraw/zinc/71/72/07/1053717207.db2.gz DEZKNBKDDUKTJP-IRXDYDNUSA-N 1 0 337.822 4.349 20 10 EICDRO Cc1cccc(CN2CCc3sc(Br)cc3C2)c1O ZINC000775732726 1053718379 /nfs/dbraw/zinc/71/83/79/1053718379.db2.gz ADSUPOHEOJFTTK-UHFFFAOYSA-N 1 0 338.270 4.083 20 10 EICDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1O ZINC000866409636 1053719122 /nfs/dbraw/zinc/71/91/22/1053719122.db2.gz PIERJMVODPBNGM-QFYYESIMSA-N 1 0 341.785 4.098 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C)cc1O ZINC000866423248 1053729284 /nfs/dbraw/zinc/72/92/84/1053729284.db2.gz YKFLJNXVGCSAAD-LJQANCHMSA-N 1 0 341.451 4.161 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921536891 1053736894 /nfs/dbraw/zinc/73/68/94/1053736894.db2.gz KZWSLCWMMABOTJ-UHFFFAOYSA-N 1 0 338.451 4.040 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1C(=O)OC(C)(C)C)c1ccccc1O ZINC000866483015 1053747848 /nfs/dbraw/zinc/74/78/48/1053747848.db2.gz BGUAMKDBFHAZGF-CQSZACIVSA-N 1 0 327.424 4.198 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000866508835 1053759633 /nfs/dbraw/zinc/75/96/33/1053759633.db2.gz SBCOIAMUAMXBOZ-MLGOLLRUSA-N 1 0 333.403 4.350 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1 ZINC000121119790 1053773389 /nfs/dbraw/zinc/77/33/89/1053773389.db2.gz GRYMAVQJSBCPSB-MPGHIAIKSA-N 1 0 332.513 4.367 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2c1O ZINC000866540292 1053774854 /nfs/dbraw/zinc/77/48/54/1053774854.db2.gz YDXKFGJTHVESQH-LIVBEALHSA-N 1 0 325.452 4.259 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000121240745 1053826995 /nfs/dbraw/zinc/82/69/95/1053826995.db2.gz AVSMCYYGUCAZDI-UHFFFAOYSA-N 1 0 340.467 4.023 20 10 EICDRO COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765660380 1053835906 /nfs/dbraw/zinc/83/59/06/1053835906.db2.gz GELKVXQGDKMGHB-KRWDZBQOSA-N 1 0 342.483 4.019 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000112536862 1053838873 /nfs/dbraw/zinc/83/88/73/1053838873.db2.gz GPYDEVFDPKBDJH-LSDHHAIUSA-N 1 0 346.421 4.213 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765683393 1053840551 /nfs/dbraw/zinc/84/05/51/1053840551.db2.gz MNZBMNXYYVCMRU-LAUBAEHRSA-N 1 0 330.516 4.269 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868089981 1053872338 /nfs/dbraw/zinc/87/23/38/1053872338.db2.gz ARSPRZSVJKFYGJ-RTBURBONSA-N 1 0 349.438 4.460 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cc(F)cc(Cl)c3)CC2)cc1 ZINC000776798977 1053884696 /nfs/dbraw/zinc/88/46/96/1053884696.db2.gz DHZITPFAQAFYDZ-UHFFFAOYSA-N 1 0 348.849 4.246 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000776799968 1053892381 /nfs/dbraw/zinc/89/23/81/1053892381.db2.gz PBYYLFTUBJUBLN-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC001197646149 1053958944 /nfs/dbraw/zinc/95/89/44/1053958944.db2.gz BWNQJLNDTXBOOJ-SNVBAGLBSA-N 1 0 348.786 4.007 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000122437382 1053963581 /nfs/dbraw/zinc/96/35/81/1053963581.db2.gz PEIQRZACXAQLNZ-QGZVFWFLSA-N 1 0 346.446 4.150 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122727575 1054028548 /nfs/dbraw/zinc/02/85/48/1054028548.db2.gz WZXLUKOQOWNSFB-OAHLLOKOSA-N 1 0 327.428 4.128 20 10 EICDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc2ccccc2c1O ZINC000186165713 1054063541 /nfs/dbraw/zinc/06/35/41/1054063541.db2.gz VDRDBANWQXVJMQ-OYHNWAKOSA-N 1 0 333.431 4.030 20 10 EICDRO C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000775835078 1054114164 /nfs/dbraw/zinc/11/41/64/1054114164.db2.gz DVUVVDZGXOCINQ-INIZCTEOSA-N 1 0 347.462 4.195 20 10 EICDRO CCn1c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc2cc(F)ccc21 ZINC000775835618 1054114541 /nfs/dbraw/zinc/11/45/41/1054114541.db2.gz GXECGJSAEYXDLP-AWEZNQCLSA-N 1 0 340.446 4.112 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610132 1054212134 /nfs/dbraw/zinc/21/21/34/1054212134.db2.gz UIDUFMLIPZTGQT-GCJKJVERSA-N 1 0 338.495 4.451 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC001198952677 1054312531 /nfs/dbraw/zinc/31/25/31/1054312531.db2.gz SPLORKRTOBUNBH-UHFFFAOYSA-N 1 0 340.364 4.243 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1C ZINC001199012473 1054328135 /nfs/dbraw/zinc/32/81/35/1054328135.db2.gz DTOFEXRDYGODTE-OAQYLSRUSA-N 1 0 338.495 4.148 20 10 EICDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776952390 1054338701 /nfs/dbraw/zinc/33/87/01/1054338701.db2.gz INBLKCWIAOTCTC-FPOVZHCZSA-N 1 0 330.516 4.360 20 10 EICDRO COc1cc(C[NH2+]CCO[C@H]2CCCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199286612 1054380659 /nfs/dbraw/zinc/38/06/59/1054380659.db2.gz RIZWULQHADFJFS-BEFAXECRSA-N 1 0 349.515 4.383 20 10 EICDRO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000872080909 1054381503 /nfs/dbraw/zinc/38/15/03/1054381503.db2.gz UJKGOQMZGHFGOB-GJZGRUSLSA-N 1 0 344.421 4.232 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199320970 1054390571 /nfs/dbraw/zinc/39/05/71/1054390571.db2.gz SLCNHSFOWGKFEQ-HOTGVXAUSA-N 1 0 338.923 4.202 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C2CCCCC2)N(C)C)cc1 ZINC001199328707 1054392593 /nfs/dbraw/zinc/39/25/93/1054392593.db2.gz FHRJAPSZOWXEMU-OAQYLSRUSA-N 1 0 331.548 4.133 20 10 EICDRO CC[C@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(C)cc1O ZINC000872122296 1054400429 /nfs/dbraw/zinc/40/04/29/1054400429.db2.gz USOMGNIDZOSXDR-INIZCTEOSA-N 1 0 339.464 4.460 20 10 EICDRO Cc1ccccc1C1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858181618 1054433939 /nfs/dbraw/zinc/43/39/39/1054433939.db2.gz UDFWDRUPTOBJEU-UHFFFAOYSA-N 1 0 332.241 4.242 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)c1 ZINC000776019515 1054453141 /nfs/dbraw/zinc/45/31/41/1054453141.db2.gz MOCAZIVJDKBLAI-UHFFFAOYSA-N 1 0 333.435 4.153 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)N2CCC[C@H](C)C2)cc1F ZINC001199732838 1054456407 /nfs/dbraw/zinc/45/64/07/1054456407.db2.gz SLSFMAFQMUAYOV-KRWDZBQOSA-N 1 0 349.538 4.272 20 10 EICDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199742860 1054459989 /nfs/dbraw/zinc/45/99/89/1054459989.db2.gz OVGWXOGDJLEJRC-MBVDDHJVSA-N 1 0 346.421 4.101 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCc2ccccc21 ZINC001199924608 1054497659 /nfs/dbraw/zinc/49/76/59/1054497659.db2.gz IHEXYKPCRQUMHR-LJQANCHMSA-N 1 0 349.522 4.218 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000873184276 1054502746 /nfs/dbraw/zinc/50/27/46/1054502746.db2.gz JNSJXGNYIYAIGA-MRXNPFEDSA-N 1 0 339.439 4.436 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CCCOc3ccccc32)ccc1OC ZINC001199972161 1054508143 /nfs/dbraw/zinc/50/81/43/1054508143.db2.gz MIIFHPZXRBCASS-LJQANCHMSA-N 1 0 341.451 4.235 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N2CCCCCC2)cc1 ZINC000858562735 1054516616 /nfs/dbraw/zinc/51/66/16/1054516616.db2.gz LYRHUKACKMFIMR-MRXNPFEDSA-N 1 0 325.456 4.018 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000858563364 1054518171 /nfs/dbraw/zinc/51/81/71/1054518171.db2.gz OZUKXRIJADDIRZ-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000124593809 1054574231 /nfs/dbraw/zinc/57/42/31/1054574231.db2.gz KPIRKVYQQJPOGH-DLBZAZTESA-N 1 0 342.458 4.117 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2n1 ZINC000124847544 1054630530 /nfs/dbraw/zinc/63/05/30/1054630530.db2.gz XDMDIHLKYKOUAJ-HNNXBMFYSA-N 1 0 335.451 4.160 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2CCc3c2cccc3OC)ccc1OC ZINC001201132882 1054678132 /nfs/dbraw/zinc/67/81/32/1054678132.db2.gz AXNVKMFBVFCLOG-IBGZPJMESA-N 1 0 341.451 4.017 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(Cl)c1OC ZINC000776154266 1054754003 /nfs/dbraw/zinc/75/40/03/1054754003.db2.gz QZQAWNUCGDURMZ-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[NH+](C)Cc1cccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1 ZINC001201392804 1054788716 /nfs/dbraw/zinc/78/87/16/1054788716.db2.gz PVCXMMCWKNJLMJ-JBUPZVEHSA-N 1 0 346.438 4.016 20 10 EICDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1cccc(F)c1F ZINC001201541364 1054835918 /nfs/dbraw/zinc/83/59/18/1054835918.db2.gz DUNYJTAULHSOFD-VIFPVBQESA-N 1 0 342.183 4.284 20 10 EICDRO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001201617933 1054865658 /nfs/dbraw/zinc/86/56/58/1054865658.db2.gz JXULSEGISYOBEK-HXUWFJFHSA-N 1 0 338.499 4.231 20 10 EICDRO Cc1cccc2c(CC[NH2+]Cc3cc(Cl)cc(F)c3[O-])c[nH]c21 ZINC000776208765 1054900231 /nfs/dbraw/zinc/90/02/31/1054900231.db2.gz DHDLOXUBPKGWFP-UHFFFAOYSA-N 1 0 332.806 4.307 20 10 EICDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201786883 1054920978 /nfs/dbraw/zinc/92/09/78/1054920978.db2.gz OTCLKACGTXDYQS-HRAATJIYSA-N 1 0 342.458 4.028 20 10 EICDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(C(F)(F)F)c1 ZINC000876995878 1054996890 /nfs/dbraw/zinc/99/68/90/1054996890.db2.gz JGDWAQNXVPSVPV-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCCO1 ZINC000862213664 1055029866 /nfs/dbraw/zinc/02/98/66/1055029866.db2.gz RZHSFKWYNXCGQC-LJQANCHMSA-N 1 0 336.435 4.055 20 10 EICDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202133950 1055046212 /nfs/dbraw/zinc/04/62/12/1055046212.db2.gz CAJSYKAOYRRUIS-RDJZCZTQSA-N 1 0 331.460 4.111 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000862379303 1055060956 /nfs/dbraw/zinc/06/09/56/1055060956.db2.gz JKWSQWKMFNIQCA-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1C ZINC000118962437 1055083859 /nfs/dbraw/zinc/08/38/59/1055083859.db2.gz ZWHPSPSRFPEPGH-OAQYLSRUSA-N 1 0 343.442 4.094 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757872 1055114929 /nfs/dbraw/zinc/11/49/29/1055114929.db2.gz XLQYOWFZQOVCRA-MMOPVJDHSA-N 1 0 336.479 4.411 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000877757078 1055115190 /nfs/dbraw/zinc/11/51/90/1055115190.db2.gz FKJHXJWDQOQBMK-HOTGVXAUSA-N 1 0 326.440 4.077 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC001202436680 1055174820 /nfs/dbraw/zinc/17/48/20/1055174820.db2.gz YBTZRQZAUHPVAQ-UHFFFAOYSA-N 1 0 348.425 4.101 20 10 EICDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542808 1055226495 /nfs/dbraw/zinc/22/64/95/1055226495.db2.gz ZXGQMWYUKDHWGX-PXNSSMCTSA-N 1 0 327.516 4.002 20 10 EICDRO Cc1ncsc1-c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000850011710 1055324560 /nfs/dbraw/zinc/32/45/60/1055324560.db2.gz RVMKFYYKRCYMAC-UHFFFAOYSA-N 1 0 337.492 4.474 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2O ZINC000765805987 1055409319 /nfs/dbraw/zinc/40/93/19/1055409319.db2.gz AZLHWHIXMKVLPS-KOXAJKMWSA-N 1 0 349.833 4.230 20 10 EICDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000765808749 1055448174 /nfs/dbraw/zinc/44/81/74/1055448174.db2.gz JUFPPLCKLOVTST-APPDUMDISA-N 1 0 340.250 4.257 20 10 EICDRO c1ccc2c(c1)CO[C@]21CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000186454666 1056367840 /nfs/dbraw/zinc/36/78/40/1056367840.db2.gz ORISGFZUPIEHBI-QHCPKHFHSA-N 1 0 348.490 4.308 20 10 EICDRO CCCCOCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756343640 1056591392 /nfs/dbraw/zinc/59/13/92/1056591392.db2.gz ZMARENRCUZBONR-LBPRGKRZSA-N 1 0 330.266 4.012 20 10 EICDRO Cc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742159761 1058536502 /nfs/dbraw/zinc/53/65/02/1058536502.db2.gz VUPMGMZAJXWQNX-UHFFFAOYSA-N 1 0 331.500 4.391 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)Oc2ccccc2OC)cc1 ZINC000742383181 1058584993 /nfs/dbraw/zinc/58/49/93/1058584993.db2.gz UVRUYGMTUQZMCQ-KRWDZBQOSA-N 1 0 342.483 4.099 20 10 EICDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C2CCCCC2)c1O ZINC000742373036 1058598786 /nfs/dbraw/zinc/59/87/86/1058598786.db2.gz DOGBDTJYICETPY-NSHDSACASA-N 1 0 342.277 4.222 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1F ZINC000742379283 1058604564 /nfs/dbraw/zinc/60/45/64/1058604564.db2.gz ROZQPJZHTJMLDE-UHFFFAOYSA-N 1 0 345.849 4.359 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870498 1059188791 /nfs/dbraw/zinc/18/87/91/1059188791.db2.gz ULBUCZVBMCVUFI-OAHLLOKOSA-N 1 0 344.430 4.079 20 10 EICDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766340022 1060092397 /nfs/dbraw/zinc/09/23/97/1060092397.db2.gz OOSRXDFNCZIWBI-IAGOWNOFSA-N 1 0 336.495 4.265 20 10 EICDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401597 1060328247 /nfs/dbraw/zinc/32/82/47/1060328247.db2.gz SVEVOCAFTOYRQM-PGRDOPGGSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000766438220 1060358540 /nfs/dbraw/zinc/35/85/40/1060358540.db2.gz RHTRCPZYYMKEDP-YYWHXJBOSA-N 1 0 330.516 4.269 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N2CCCCC2)c(F)c1 ZINC000766601164 1060651399 /nfs/dbraw/zinc/65/13/99/1060651399.db2.gz PKRKWKUSUGBXEX-RWCSOYMTSA-N 1 0 346.490 4.424 20 10 EICDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766607015 1060655648 /nfs/dbraw/zinc/65/56/48/1060655648.db2.gz YHQXZACPNPRMFT-INIZCTEOSA-N 1 0 327.447 4.104 20 10 EICDRO CCN(C)c1ccc(C[N@H+](Cc2ccccc2)C[C@@](C)(O)CC)cc1 ZINC001169394945 1060805456 /nfs/dbraw/zinc/80/54/56/1060805456.db2.gz AYVOMHPFFYVJIK-QFIPXVFZSA-N 1 0 340.511 4.306 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)cc2)CC1 ZINC001169556513 1060855877 /nfs/dbraw/zinc/85/58/77/1060855877.db2.gz TYGVMSLPDUBHJN-CBGDNZLLSA-N 1 0 330.516 4.216 20 10 EICDRO C[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO[C@@H]1C1CC1 ZINC000767196194 1061141161 /nfs/dbraw/zinc/14/11/61/1061141161.db2.gz TULWBZZAHJTPIU-FGZHOGPDSA-N 1 0 337.463 4.354 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000076275403 201363884 /nfs/dbraw/zinc/36/38/84/201363884.db2.gz CEJGNYAMWMUEMC-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000529654558 1032512484 /nfs/dbraw/zinc/51/24/84/1032512484.db2.gz YOOOSTSMRCXZKJ-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759539 1032551257 /nfs/dbraw/zinc/55/12/57/1032551257.db2.gz ZMRPQLXZSMYAMU-KOLCDFICSA-N 1 0 325.758 4.054 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582607 1032563475 /nfs/dbraw/zinc/56/34/75/1032563475.db2.gz NAPYVZXWIWCHFW-GFCCVEGCSA-N 1 0 342.386 4.247 20 10 EICDRO Cn1cc(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000274863837 1019802710 /nfs/dbraw/zinc/80/27/10/1019802710.db2.gz BZJCROJZRBSREX-NRFANRHFSA-N 1 0 349.478 4.022 20 10 EICDRO C[C@H](NCc1ccc(N(C)C)cc1)c1nc(C2CCCCC2)no1 ZINC000237607076 1032873886 /nfs/dbraw/zinc/87/38/86/1032873886.db2.gz OSHQSPBYWADHTC-AWEZNQCLSA-N 1 0 328.460 4.034 20 10 EICDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1Cl ZINC001167107208 1020182512 /nfs/dbraw/zinc/18/25/12/1020182512.db2.gz AJPYEVOEVCSRTH-UHFFFAOYSA-N 1 0 329.875 4.274 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC000310661569 1021492273 /nfs/dbraw/zinc/49/22/73/1021492273.db2.gz ZIBKHRVTOSEILF-INMHGKMJSA-N 1 0 348.487 4.221 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000135965690 1021697857 /nfs/dbraw/zinc/69/78/57/1021697857.db2.gz YSKBRBCONLMFEP-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1O ZINC000376325912 1022167619 /nfs/dbraw/zinc/16/76/19/1022167619.db2.gz TYHPKXDQKCGMGX-IRXDYDNUSA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000376323451 1022173067 /nfs/dbraw/zinc/17/30/67/1022173067.db2.gz IGNRTDSCROPSQR-SFHVURJKSA-N 1 0 330.497 4.159 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000892614394 1022544428 /nfs/dbraw/zinc/54/44/28/1022544428.db2.gz IENMLIWONVGCAE-UHFFFAOYSA-N 1 0 328.504 4.217 20 10 EICDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1c(C)noc1C ZINC000378408303 1022805618 /nfs/dbraw/zinc/80/56/18/1022805618.db2.gz ZLNLMQYMSDIXOJ-IBGZPJMESA-N 1 0 343.471 4.010 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)cc1 ZINC000378407166 1022806015 /nfs/dbraw/zinc/80/60/15/1022806015.db2.gz WWAZQOAOQHYRRK-RWBZWWBESA-N 1 0 342.487 4.211 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-c2ccncc2)c1 ZINC000363847895 1022850874 /nfs/dbraw/zinc/85/08/74/1022850874.db2.gz FAOBEKKILOEYPA-OAHLLOKOSA-N 1 0 334.419 4.314 20 10 EICDRO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855918 1022859422 /nfs/dbraw/zinc/85/94/22/1022859422.db2.gz OALJQSUMQMEYRY-YJYMSZOUSA-N 1 0 341.842 4.219 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)c(O)c1 ZINC000363859310 1022862166 /nfs/dbraw/zinc/86/21/66/1022862166.db2.gz FKKHRLIQFXSOSJ-QMTMVMCOSA-N 1 0 330.497 4.106 20 10 EICDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160792803 1022865552 /nfs/dbraw/zinc/86/55/52/1022865552.db2.gz UVCDIKMZUJDNOM-LEWJYISDSA-N 1 0 326.484 4.307 20 10 EICDRO CC[C@H](C[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000402595069 1023039799 /nfs/dbraw/zinc/03/97/99/1023039799.db2.gz LQWVZYXJMOZCAT-VIFPVBQESA-N 1 0 340.183 4.223 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000185662025 1023061434 /nfs/dbraw/zinc/06/14/34/1023061434.db2.gz TUCCPSFGJXNZEC-SFHVURJKSA-N 1 0 349.478 4.381 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1 ZINC000186055575 1023094378 /nfs/dbraw/zinc/09/43/78/1023094378.db2.gz AXZDCWWSTRMNFV-AWEZNQCLSA-N 1 0 327.424 4.183 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166622319 1023113957 /nfs/dbraw/zinc/11/39/57/1023113957.db2.gz DPIMDABUPSSVIB-PGRDOPGGSA-N 1 0 338.495 4.319 20 10 EICDRO C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)ccc1O ZINC000186343060 1023117792 /nfs/dbraw/zinc/11/77/92/1023117792.db2.gz RXQDCDZXWGJFHN-AWEZNQCLSA-N 1 0 346.471 4.253 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C)cc1O ZINC000377092084 1023369801 /nfs/dbraw/zinc/36/98/01/1023369801.db2.gz GGLNVWJVXSBEKJ-IBGZPJMESA-N 1 0 335.451 4.342 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1O ZINC000756534685 1023405249 /nfs/dbraw/zinc/40/52/49/1023405249.db2.gz MPQYXOVJAFDKBP-YPMHNXCESA-N 1 0 332.241 4.145 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c(O)c1OC ZINC000892902560 1023481203 /nfs/dbraw/zinc/48/12/03/1023481203.db2.gz IAECNBSVPLVCSH-GOSISDBHSA-N 1 0 345.414 4.180 20 10 EICDRO C[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCc2ccccc21 ZINC000707144074 1023489870 /nfs/dbraw/zinc/48/98/70/1023489870.db2.gz YLAHNTXEMWYJSL-MRXNPFEDSA-N 1 0 332.241 4.274 20 10 EICDRO COc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c(O)c1OC ZINC000892964231 1023607567 /nfs/dbraw/zinc/60/75/67/1023607567.db2.gz ZYFGZZLEKJMNBW-KRWDZBQOSA-N 1 0 327.424 4.040 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000364348817 1023657679 /nfs/dbraw/zinc/65/76/79/1023657679.db2.gz VAXLWORGQMGNES-YOEHRIQHSA-N 1 0 337.423 4.114 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1ccccc1O ZINC000364364917 1023681670 /nfs/dbraw/zinc/68/16/70/1023681670.db2.gz ZKOUGUVHRKVHOG-URLQWDBASA-N 1 0 330.497 4.187 20 10 EICDRO CC[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000364374681 1023694099 /nfs/dbraw/zinc/69/40/99/1023694099.db2.gz UCMYLSMOGZYIRZ-SFHVURJKSA-N 1 0 330.497 4.159 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000020123484 1023730868 /nfs/dbraw/zinc/73/08/68/1023730868.db2.gz WZWRBYDJOLONAP-BXUZGUMPSA-N 1 0 335.245 4.352 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1C(C)C ZINC000162712237 1023741383 /nfs/dbraw/zinc/74/13/83/1023741383.db2.gz ZNTSNKBYAKHDOE-SFHVURJKSA-N 1 0 327.472 4.067 20 10 EICDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000891569171 1023787878 /nfs/dbraw/zinc/78/78/78/1023787878.db2.gz QETRHJVXMRVTRL-ZDUSSCGKSA-N 1 0 341.407 4.349 20 10 EICDRO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Br)cc1O ZINC000756784969 1024782958 /nfs/dbraw/zinc/78/29/58/1024782958.db2.gz REGJUQHVUJPGSN-APPDUMDISA-N 1 0 347.256 4.352 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c(O)c1C ZINC000277127892 1025078767 /nfs/dbraw/zinc/07/87/67/1025078767.db2.gz OESOZIFNQMDIDK-MDKPJZGXSA-N 1 0 325.452 4.437 20 10 EICDRO CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C)cc1O ZINC000375647082 1025173296 /nfs/dbraw/zinc/17/32/96/1025173296.db2.gz BKSSLHZRYFBSOH-VMBOVVBDSA-N 1 0 329.444 4.159 20 10 EICDRO COc1ccccc1[C@@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000151115334 1025265207 /nfs/dbraw/zinc/26/52/07/1025265207.db2.gz KUFAFXNOTBIIMN-OAQYLSRUSA-N 1 0 336.435 4.233 20 10 EICDRO CC[N@H+](CCOCCC(C)C)Cc1cc(Br)ccc1O ZINC001167512508 1025854108 /nfs/dbraw/zinc/85/41/08/1025854108.db2.gz OQOQNBZSIFMTKJ-UHFFFAOYSA-N 1 0 344.293 4.039 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1O ZINC000375657182 1025867260 /nfs/dbraw/zinc/86/72/60/1025867260.db2.gz LEJQAHXXRCQHBG-MOPGFXCFSA-N 1 0 338.451 4.239 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1O ZINC000375657189 1025868087 /nfs/dbraw/zinc/86/80/87/1025868087.db2.gz LEJQAHXXRCQHBG-RTBURBONSA-N 1 0 338.451 4.239 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CC)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC001167518048 1025902886 /nfs/dbraw/zinc/90/28/86/1025902886.db2.gz SVOJSINDDQOWPA-OAQYLSRUSA-N 1 0 326.484 4.007 20 10 EICDRO CCC[N@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1O ZINC000783446892 1026457996 /nfs/dbraw/zinc/45/79/96/1026457996.db2.gz WKJGZTMLUUJWTP-UHFFFAOYSA-N 1 0 329.440 4.177 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000158843497 1026685039 /nfs/dbraw/zinc/68/50/39/1026685039.db2.gz XRHSOFVVJKLMEZ-IERDGZPVSA-N 1 0 349.482 4.135 20 10 EICDRO c1csc(SCCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000925102194 1027697994 /nfs/dbraw/zinc/69/79/94/1027697994.db2.gz MBMNTZFCXPYJQF-ZBFHGGJFSA-N 1 0 333.526 4.021 20 10 EICDRO COC1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840791714 1029326636 /nfs/dbraw/zinc/32/66/36/1029326636.db2.gz CJQATEMVJWMAAF-LMWSTFAQSA-N 1 0 342.277 4.071 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3cccnc32)c1O ZINC000897076141 1029348294 /nfs/dbraw/zinc/34/82/94/1029348294.db2.gz SMONOBHYZDGMSI-HNNXBMFYSA-N 1 0 347.256 4.025 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000475191240 1029395702 /nfs/dbraw/zinc/39/57/02/1029395702.db2.gz MYZCBIBPWGEAHN-UHFFFAOYSA-N 1 0 348.425 4.306 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000937 1029655677 /nfs/dbraw/zinc/65/56/77/1029655677.db2.gz NBLIKNZOXXFDCY-LSDHHAIUSA-N 1 0 328.456 4.182 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1C ZINC000278764577 1029835376 /nfs/dbraw/zinc/83/53/76/1029835376.db2.gz OEGRIPJJTFKSRH-JTQLQIEISA-N 1 0 330.375 4.335 20 10 EICDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000091832553 1029895711 /nfs/dbraw/zinc/89/57/11/1029895711.db2.gz QQUYVZWHNVQQRL-SFHVURJKSA-N 1 0 349.434 4.130 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c(O)c1 ZINC000186105411 1030249849 /nfs/dbraw/zinc/24/98/49/1030249849.db2.gz PAZSDZBIXFKRIC-ZDUSSCGKSA-N 1 0 325.437 4.070 20 10 EICDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000188949014 1030439945 /nfs/dbraw/zinc/43/99/45/1030439945.db2.gz OHLTZXVLIKVOFC-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189950942 1030525866 /nfs/dbraw/zinc/52/58/66/1030525866.db2.gz KVASZEHTIPQYLK-UHFFFAOYSA-N 1 0 339.464 4.078 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)OC)c1 ZINC000527923433 1030919194 /nfs/dbraw/zinc/91/91/94/1030919194.db2.gz DBCQCTXPDVVGRG-IWEFOYFVSA-N 1 0 345.414 4.066 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1O ZINC000236927767 1033455406 /nfs/dbraw/zinc/45/54/06/1033455406.db2.gz YVQWXDXCDKHOPC-OAHLLOKOSA-N 1 0 333.428 4.257 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000236961349 1033709540 /nfs/dbraw/zinc/70/95/40/1033709540.db2.gz MEIJQJKFNKYZCS-FQEVSTJZSA-N 1 0 337.511 4.149 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H](O)c1ccc(F)cc1 ZINC000248499666 1033860060 /nfs/dbraw/zinc/86/00/60/1033860060.db2.gz MZUQLWXBFUAAJX-LRDNONRASA-N 1 0 339.410 4.457 20 10 EICDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000894209457 1034781020 /nfs/dbraw/zinc/78/10/20/1034781020.db2.gz RXIWLNNYXZLAJI-UHFFFAOYSA-N 1 0 338.499 4.031 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1O ZINC000280263995 1035214770 /nfs/dbraw/zinc/21/47/70/1035214770.db2.gz XKLSLSYCEFVCNJ-LJQANCHMSA-N 1 0 338.451 4.068 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000163639828 1035643154 /nfs/dbraw/zinc/64/31/54/1035643154.db2.gz YBLVLGLAQJFOCJ-OAHLLOKOSA-N 1 0 330.497 4.246 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC000227441278 1035795710 /nfs/dbraw/zinc/79/57/10/1035795710.db2.gz BSYKKGCBQDEAMZ-UHFFFAOYSA-N 1 0 346.677 4.202 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1O ZINC000761201566 1036024720 /nfs/dbraw/zinc/02/47/20/1036024720.db2.gz BZMWKPRPKIFAOE-MRXNPFEDSA-N 1 0 334.847 4.120 20 10 EICDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207059 1036051358 /nfs/dbraw/zinc/05/13/58/1036051358.db2.gz XIUFBHNRKACHFN-ZIAGYGMSSA-N 1 0 329.893 4.160 20 10 EICDRO Oc1ccccc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000228408844 1036317660 /nfs/dbraw/zinc/31/76/60/1036317660.db2.gz ZXHCHPNTUITDBB-UHFFFAOYSA-N 1 0 332.241 4.191 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc(Cl)nc1 ZINC000760699619 1036420063 /nfs/dbraw/zinc/42/00/63/1036420063.db2.gz ALODVZNBQRQNAO-UHFFFAOYSA-N 1 0 338.838 4.440 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1O ZINC000229549568 1037241100 /nfs/dbraw/zinc/24/11/00/1037241100.db2.gz VHSXSJVKUNFJEL-CYBMUJFWSA-N 1 0 340.286 4.500 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1C ZINC000273372633 1037441475 /nfs/dbraw/zinc/44/14/75/1037441475.db2.gz GLOQNSAFTJYHJF-KRWDZBQOSA-N 1 0 335.451 4.105 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)c(O)c1C ZINC000273405849 1037457534 /nfs/dbraw/zinc/45/75/34/1037457534.db2.gz OITUEOWUBLQARW-QGZVFWFLSA-N 1 0 339.483 4.245 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c(O)c1C ZINC000273417014 1037459474 /nfs/dbraw/zinc/45/94/74/1037459474.db2.gz QZUDIFANIRWSKZ-QGZVFWFLSA-N 1 0 335.451 4.105 20 10 EICDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273445978 1037466603 /nfs/dbraw/zinc/46/66/03/1037466603.db2.gz ZTZOEVPMQYNVSK-MRXNPFEDSA-N 1 0 346.515 4.087 20 10 EICDRO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273462167 1037473575 /nfs/dbraw/zinc/47/35/75/1037473575.db2.gz CWLQBLYTTNQXAR-LLVKDONJSA-N 1 0 343.298 4.367 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cccnc3Cl)CC2)cc1 ZINC000157389932 1037497375 /nfs/dbraw/zinc/49/73/75/1037497375.db2.gz ZQUOCXZSZVHSPR-CQSZACIVSA-N 1 0 345.874 4.063 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273556949 1037507151 /nfs/dbraw/zinc/50/71/51/1037507151.db2.gz ZQGIAGYVQHHOLA-SFTDATJTSA-N 1 0 342.458 4.244 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000157457561 1037575457 /nfs/dbraw/zinc/57/54/57/1037575457.db2.gz FFLIQUXXRGSGIH-OAHLLOKOSA-N 1 0 328.456 4.170 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000760956081 1037759017 /nfs/dbraw/zinc/75/90/17/1037759017.db2.gz UWEZBPXXQOMQNX-GCJKJVERSA-N 1 0 336.479 4.057 20 10 EICDRO CCOC(=O)C1CC[NH+](Cc2cc(CC)cc(C(C)(C)C)c2O)CC1 ZINC000058590406 1037875193 /nfs/dbraw/zinc/87/51/93/1037875193.db2.gz NSXSAKWYAYNASZ-UHFFFAOYSA-N 1 0 347.499 4.027 20 10 EICDRO CC[C@H]([NH2+]CCC(F)(F)F)c1cc(Br)ccc1O ZINC000063098661 1038000949 /nfs/dbraw/zinc/00/09/49/1038000949.db2.gz OBIQAOLUMPPQON-JTQLQIEISA-N 1 0 326.156 4.148 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1cc(F)ccc1O ZINC000230659479 1038223988 /nfs/dbraw/zinc/22/39/88/1038223988.db2.gz ABDCXUNCCFBEIE-SECBINFHSA-N 1 0 344.249 4.249 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000151075183 1038635379 /nfs/dbraw/zinc/63/53/79/1038635379.db2.gz KBTSXPSHAORTBN-LJQANCHMSA-N 1 0 338.495 4.299 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374840 1038923934 /nfs/dbraw/zinc/92/39/34/1038923934.db2.gz AUCYHHNCHUSEHY-HNNXBMFYSA-N 1 0 344.430 4.079 20 10 EICDRO Cc1nnsc1[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184871 1039379978 /nfs/dbraw/zinc/37/99/78/1039379978.db2.gz MKKZWPCFGSXKFL-OAHLLOKOSA-N 1 0 330.501 4.030 20 10 EICDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537301 1040641945 /nfs/dbraw/zinc/64/19/45/1040641945.db2.gz DBXYQBKXPAXAMM-DNVCBOLYSA-N 1 0 336.495 4.091 20 10 EICDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537379 1040669287 /nfs/dbraw/zinc/66/92/87/1040669287.db2.gz DBXYQBKXPAXAMM-HNAYVOBHSA-N 1 0 336.495 4.091 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000366682552 1042016349 /nfs/dbraw/zinc/01/63/49/1042016349.db2.gz TUCVMQWMKBPLOW-JTSKRJEESA-N 1 0 348.494 4.316 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000766029566 1043055095 /nfs/dbraw/zinc/05/50/95/1043055095.db2.gz OAECXCFNRIKNJZ-SFHVURJKSA-N 1 0 330.859 4.328 20 10 EICDRO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000727644357 1043254294 /nfs/dbraw/zinc/25/42/94/1043254294.db2.gz BNCAKIOERRKCTC-RTWAWAEBSA-N 1 0 329.532 4.029 20 10 EICDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(C(C)C)c(C)cc1O ZINC000730253687 1043486107 /nfs/dbraw/zinc/48/61/07/1043486107.db2.gz FXKWSZZAUNJQIV-UHFFFAOYSA-N 1 0 342.483 4.258 20 10 EICDRO CCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CCCCO1 ZINC000730255941 1043486404 /nfs/dbraw/zinc/48/64/04/1043486404.db2.gz NXMCPNOMCWSMRK-GOSISDBHSA-N 1 0 343.467 4.335 20 10 EICDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000766073482 1043880306 /nfs/dbraw/zinc/88/03/06/1043880306.db2.gz WSSVRCWSSVKCAA-INIZCTEOSA-N 1 0 334.510 4.301 20 10 EICDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(O)ccc3ccncc31)CCC2 ZINC000732189958 1043880922 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Oc1ccccc1C[N@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000733613621 1044271375 /nfs/dbraw/zinc/27/13/75/1044271375.db2.gz DVMWFYPZNLWJCH-UHFFFAOYSA-N 1 0 331.378 4.106 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000466360719 1044320000 /nfs/dbraw/zinc/32/00/00/1044320000.db2.gz IWMBJURLVPRCTK-FGTMMUONSA-N 1 0 326.484 4.172 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1O ZINC000282686366 1044376323 /nfs/dbraw/zinc/37/63/23/1044376323.db2.gz IPIDRAZMTZCXRM-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1O ZINC000378872693 1044414634 /nfs/dbraw/zinc/41/46/34/1044414634.db2.gz RUWFQOBALFTQEE-SECBINFHSA-N 1 0 327.758 4.183 20 10 EICDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734845858 1044697534 /nfs/dbraw/zinc/69/75/34/1044697534.db2.gz JTEPRPKXWGJXJG-JTSKRJEESA-N 1 0 347.458 4.313 20 10 EICDRO Cc1ccc(OC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000735070873 1044736217 /nfs/dbraw/zinc/73/62/17/1044736217.db2.gz LXOLOFCMJLCCGT-UHFFFAOYSA-N 1 0 325.452 4.361 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)cc1C ZINC000922493069 1044780537 /nfs/dbraw/zinc/78/05/37/1044780537.db2.gz BWDRYQYLGJZBJJ-UHFFFAOYSA-N 1 0 336.435 4.327 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000706843316 1044788943 /nfs/dbraw/zinc/78/89/43/1044788943.db2.gz QNPQVHIJWLRIHK-QGZVFWFLSA-N 1 0 332.241 4.396 20 10 EICDRO c1csc([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000895583682 1044814796 /nfs/dbraw/zinc/81/47/96/1044814796.db2.gz NKQBNRJNPMHMBI-KRWDZBQOSA-N 1 0 327.497 4.123 20 10 EICDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)c1 ZINC000735484813 1044824933 /nfs/dbraw/zinc/82/49/33/1044824933.db2.gz IFLIDLCPGPHWRZ-NRFANRHFSA-N 1 0 347.462 4.344 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738159895 1045039504 /nfs/dbraw/zinc/03/95/04/1045039504.db2.gz UMBQIUOBEHRJCR-QGZVFWFLSA-N 1 0 327.472 4.032 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)OC)o2)cc1 ZINC000738299844 1045055949 /nfs/dbraw/zinc/05/59/49/1045055949.db2.gz RDXPNMDWVYKMNP-HNNXBMFYSA-N 1 0 344.455 4.105 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)CCO2 ZINC000186694841 1045141996 /nfs/dbraw/zinc/14/19/96/1045141996.db2.gz INHUOLCGRHDUHJ-SJKOYZFVSA-N 1 0 331.387 4.104 20 10 EICDRO COc1ccc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1C ZINC000740005442 1045173550 /nfs/dbraw/zinc/17/35/50/1045173550.db2.gz CHYKUSOUAQHIBN-QGZVFWFLSA-N 1 0 326.484 4.223 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1F ZINC000740003062 1045173810 /nfs/dbraw/zinc/17/38/10/1045173810.db2.gz UMKIVDGYXJJJHK-IBGZPJMESA-N 1 0 349.519 4.126 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cc1F ZINC000740005783 1045173872 /nfs/dbraw/zinc/17/38/72/1045173872.db2.gz FFKYBYHFZXVUDI-UHFFFAOYSA-N 1 0 348.437 4.500 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1F ZINC000740005418 1045174297 /nfs/dbraw/zinc/17/42/97/1045174297.db2.gz BTOQOOQOQLTASM-NRFANRHFSA-N 1 0 342.458 4.076 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1F ZINC000740004270 1045174300 /nfs/dbraw/zinc/17/43/00/1045174300.db2.gz MJEXFUKDXPMEMH-OAHLLOKOSA-N 1 0 330.447 4.098 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1F ZINC000740004415 1045174495 /nfs/dbraw/zinc/17/44/95/1045174495.db2.gz MRXAKLFCPBOARD-UHFFFAOYSA-N 1 0 325.431 4.443 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)c(O)c(C)c2)cc1F ZINC000740004698 1045174790 /nfs/dbraw/zinc/17/47/90/1045174790.db2.gz SLSQMSRPCXSAHB-UHFFFAOYSA-N 1 0 330.447 4.284 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CCc2csc(C)n2)cc1 ZINC000915226978 1045197381 /nfs/dbraw/zinc/19/73/81/1045197381.db2.gz BREUTYFFFRJVQV-UHFFFAOYSA-N 1 0 331.529 4.410 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184935 1045259249 /nfs/dbraw/zinc/25/92/49/1045259249.db2.gz AGDFWKJABQBDGG-WOJBJXKFSA-N 1 0 340.467 4.326 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762613375 1045314627 /nfs/dbraw/zinc/31/46/27/1045314627.db2.gz IYILNPWTDFCRIN-GUDVDZBRSA-N 1 0 348.581 4.146 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000915803591 1045468466 /nfs/dbraw/zinc/46/84/66/1045468466.db2.gz IJXONRUYUKNGBB-UHFFFAOYSA-N 1 0 343.467 4.339 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000790964261 1045639366 /nfs/dbraw/zinc/63/93/66/1045639366.db2.gz XHYZXMZLWDKVHZ-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC000742385837 1045657267 /nfs/dbraw/zinc/65/72/67/1045657267.db2.gz XYKZVGOISWDQAF-UHFFFAOYSA-N 1 0 338.495 4.372 20 10 EICDRO CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131918 1045722813 /nfs/dbraw/zinc/72/28/13/1045722813.db2.gz BIHZGOUHYIWBFN-SFHVURJKSA-N 1 0 345.512 4.083 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c(O)c1 ZINC000768138155 1045725951 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COc1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000768366586 1045801013 /nfs/dbraw/zinc/80/10/13/1045801013.db2.gz HGSAFBINKNWNBV-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cc(OC)c(OC)cc1O ZINC000768446584 1045809110 /nfs/dbraw/zinc/80/91/10/1045809110.db2.gz LFPNQYJXZKYLLP-UHFFFAOYSA-N 1 0 347.430 4.003 20 10 EICDRO Oc1cc2c(cc1C[NH2+]C1(c3ccccc3)CCOCC1)CCCC2 ZINC000768464542 1045811128 /nfs/dbraw/zinc/81/11/28/1045811128.db2.gz BDDXJAYUFKEIHN-UHFFFAOYSA-N 1 0 337.463 4.067 20 10 EICDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000768545152 1045823183 /nfs/dbraw/zinc/82/31/83/1045823183.db2.gz TYLBZJGJMGAZHI-JTQLQIEISA-N 1 0 330.266 4.030 20 10 EICDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000763336145 1045828578 /nfs/dbraw/zinc/82/85/78/1045828578.db2.gz PKCNEKCXJYUBDP-IBGZPJMESA-N 1 0 329.415 4.030 20 10 EICDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)on1 ZINC000768879823 1045853170 /nfs/dbraw/zinc/85/31/70/1045853170.db2.gz YVXSBNWXQBYKPW-IBGZPJMESA-N 1 0 325.456 4.310 20 10 EICDRO Cc1ccc(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000768927630 1045861269 /nfs/dbraw/zinc/86/12/69/1045861269.db2.gz ZTIILXJSLWZORU-UHFFFAOYSA-N 1 0 343.854 4.449 20 10 EICDRO Cc1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C(C)C)s1 ZINC000769103050 1045883332 /nfs/dbraw/zinc/88/33/32/1045883332.db2.gz USJXOCBQWXWBCO-UHFFFAOYSA-N 1 0 344.524 4.304 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000769209187 1045893233 /nfs/dbraw/zinc/89/32/33/1045893233.db2.gz QPKSNLYDTGJHRP-IRLDBZIGSA-N 1 0 338.495 4.352 20 10 EICDRO COc1cccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000769212745 1045895702 /nfs/dbraw/zinc/89/57/02/1045895702.db2.gz RJZSRGOSDUUKMV-GHTZIAJQSA-N 1 0 341.451 4.001 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)cc1OC ZINC000153836624 1045898977 /nfs/dbraw/zinc/89/89/77/1045898977.db2.gz GDSPMNIBOMOASC-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170003282 1045900544 /nfs/dbraw/zinc/90/05/44/1045900544.db2.gz NKYNPVIKQHDSGZ-UHFFFAOYSA-N 1 0 345.531 4.129 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000769307201 1045914910 /nfs/dbraw/zinc/91/49/10/1045914910.db2.gz FEWLZSZNPMVCAC-UHFFFAOYSA-N 1 0 328.500 4.068 20 10 EICDRO Cc1cccc2ncc(C[N@H+](Cc3ccccc3O)C3CCCC3)n21 ZINC000769385042 1045944027 /nfs/dbraw/zinc/94/40/27/1045944027.db2.gz SEZWVAPOFFVBDA-UHFFFAOYSA-N 1 0 335.451 4.293 20 10 EICDRO c1ccc2[nH]c(C3C[NH+](Cc4ccc(N5CCCCC5)cc4)C3)nc2c1 ZINC000769481647 1045967808 /nfs/dbraw/zinc/96/78/08/1045967808.db2.gz WYJHDSSHUVOTPJ-UHFFFAOYSA-N 1 0 346.478 4.153 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000252061025 1045976758 /nfs/dbraw/zinc/97/67/58/1045976758.db2.gz ZWTMCTMXIWRTRC-UQWBFEFOSA-N 1 0 332.463 4.034 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769474905 1045991977 /nfs/dbraw/zinc/99/19/77/1045991977.db2.gz SZAPBCADSGPMPO-HRAATJIYSA-N 1 0 341.451 4.061 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)c(O)c1 ZINC000769515434 1046006281 /nfs/dbraw/zinc/00/62/81/1046006281.db2.gz SLOXUNUDWCNSRU-INIZCTEOSA-N 1 0 346.496 4.319 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000769533878 1046009814 /nfs/dbraw/zinc/00/98/14/1046009814.db2.gz QRTYKZNMEXFYNY-ZDUSSCGKSA-N 1 0 334.485 4.482 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000792789155 1046064574 /nfs/dbraw/zinc/06/45/74/1046064574.db2.gz VRZOYJLKYRVEFG-UHFFFAOYSA-N 1 0 338.373 4.109 20 10 EICDRO Cc1ccc(CCC[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000792788398 1046065547 /nfs/dbraw/zinc/06/55/47/1046065547.db2.gz DBJGQFLOXBYOPI-UHFFFAOYSA-N 1 0 325.500 4.299 20 10 EICDRO COc1ccccc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792890264 1046095463 /nfs/dbraw/zinc/09/54/63/1046095463.db2.gz KIYMNBTYBUSOLC-UHFFFAOYSA-N 1 0 338.373 4.070 20 10 EICDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793001766 1046123915 /nfs/dbraw/zinc/12/39/15/1046123915.db2.gz QTCDYNIOKMKBRJ-TZMCWYRMSA-N 1 0 332.435 4.145 20 10 EICDRO COC1CCC(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793007338 1046124342 /nfs/dbraw/zinc/12/43/42/1046124342.db2.gz BGKYJUGJVLXDDJ-UHFFFAOYSA-N 1 0 344.421 4.066 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000793025600 1046132592 /nfs/dbraw/zinc/13/25/92/1046132592.db2.gz GKDNNVRRKIRIQM-UHFFFAOYSA-N 1 0 336.348 4.439 20 10 EICDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000747100457 1046137115 /nfs/dbraw/zinc/13/71/15/1046137115.db2.gz IHEYEBGIWZJXOV-NRFANRHFSA-N 1 0 333.431 4.191 20 10 EICDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000770304392 1046176898 /nfs/dbraw/zinc/17/68/98/1046176898.db2.gz MOTXOHFRFVKEBS-NRFANRHFSA-N 1 0 338.499 4.056 20 10 EICDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000770312040 1046177022 /nfs/dbraw/zinc/17/70/22/1046177022.db2.gz HQSRMBVRRLQWFZ-OAQYLSRUSA-N 1 0 347.462 4.438 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770325642 1046180570 /nfs/dbraw/zinc/18/05/70/1046180570.db2.gz JNLJGMYJXSWGLE-PKOBYXMFSA-N 1 0 349.833 4.273 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000793270473 1046194035 /nfs/dbraw/zinc/19/40/35/1046194035.db2.gz SGMAMVIBGCHCTG-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO CO[C@]1(C)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793339888 1046211497 /nfs/dbraw/zinc/21/14/97/1046211497.db2.gz NOHANUJXKDBUAA-OAQYLSRUSA-N 1 0 325.452 4.450 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000793352030 1046222880 /nfs/dbraw/zinc/22/28/80/1046222880.db2.gz MIHVLFXLHKKXCN-QAPCUYQASA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(C2CCC([NH2+]Cc3ccc(OC)cc3O)CC2)cc1 ZINC000793388070 1046229852 /nfs/dbraw/zinc/22/98/52/1046229852.db2.gz KJNXRTZPGXPZJM-UHFFFAOYSA-N 1 0 341.451 4.225 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000793526926 1046268483 /nfs/dbraw/zinc/26/84/83/1046268483.db2.gz ZHYPEYSUBGVTKG-AWEZNQCLSA-N 1 0 347.890 4.441 20 10 EICDRO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000154194682 1046371702 /nfs/dbraw/zinc/37/17/02/1046371702.db2.gz JVRIBUKIBFAVMT-QGZVFWFLSA-N 1 0 329.827 4.278 20 10 EICDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)C[C@H](C)O1 ZINC000916837219 1046381181 /nfs/dbraw/zinc/38/11/81/1046381181.db2.gz RZYPMXUOJMRDEQ-IYBDPMFKSA-N 1 0 334.479 4.252 20 10 EICDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000916838671 1046382441 /nfs/dbraw/zinc/38/24/41/1046382441.db2.gz PJMIDYOKEYUXLP-WIYYLYMNSA-N 1 0 330.516 4.362 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1F ZINC000771892411 1046520951 /nfs/dbraw/zinc/52/09/51/1046520951.db2.gz AFNIWWDXUVKBST-UHFFFAOYSA-N 1 0 333.476 4.079 20 10 EICDRO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935429 1046529953 /nfs/dbraw/zinc/52/99/53/1046529953.db2.gz SAZNQIPMELIBDD-UHFFFAOYSA-N 1 0 340.515 4.330 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785572657 1046723261 /nfs/dbraw/zinc/72/32/61/1046723261.db2.gz HZDBCRJJZXLVRD-MRUHUIDDSA-N 1 0 342.483 4.051 20 10 EICDRO Cc1cscc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000786925648 1046886160 /nfs/dbraw/zinc/88/61/60/1046886160.db2.gz FVOBAEITXOLTLS-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1C ZINC000787040894 1046899763 /nfs/dbraw/zinc/89/97/63/1046899763.db2.gz ZLRJFLZTAOHMGQ-PXAZEXFGSA-N 1 0 337.822 4.186 20 10 EICDRO CC[N@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(N(C)C)cc1 ZINC000787050682 1046901781 /nfs/dbraw/zinc/90/17/81/1046901781.db2.gz VGBWMHRVWVJUAN-UHFFFAOYSA-N 1 0 341.480 4.491 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2scnc2C2CC2)C2CC2)cc1 ZINC000787086737 1046906338 /nfs/dbraw/zinc/90/63/38/1046906338.db2.gz LLVGVAOUKBFZCK-UHFFFAOYSA-N 1 0 327.497 4.251 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3sccc3Cl)CC2)cc1 ZINC000787130230 1046913943 /nfs/dbraw/zinc/91/39/43/1046913943.db2.gz YTHJAHHGRIYXTM-UHFFFAOYSA-N 1 0 336.888 4.122 20 10 EICDRO COc1cc(O)c(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)cc1OC ZINC000787436300 1047006372 /nfs/dbraw/zinc/00/63/72/1047006372.db2.gz VQAUADLHOYBJNA-QGZVFWFLSA-N 1 0 343.467 4.014 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917616514 1047027547 /nfs/dbraw/zinc/02/75/47/1047027547.db2.gz NPQMVBIRLRADOA-GOSISDBHSA-N 1 0 336.410 4.287 20 10 EICDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000788261536 1047146096 /nfs/dbraw/zinc/14/60/96/1047146096.db2.gz JXHODZIULJBRLZ-MRXNPFEDSA-N 1 0 336.495 4.408 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)ccc1O ZINC000788260367 1047147330 /nfs/dbraw/zinc/14/73/30/1047147330.db2.gz ZUJVDLRSCJTSSO-NSHDSACASA-N 1 0 325.330 4.026 20 10 EICDRO CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788573380 1047235492 /nfs/dbraw/zinc/23/54/92/1047235492.db2.gz POCVDMBYFZQEHN-CYBMUJFWSA-N 1 0 344.421 4.326 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788578465 1047237086 /nfs/dbraw/zinc/23/70/86/1047237086.db2.gz VABPLEFBWKBCSN-LJQANCHMSA-N 1 0 339.439 4.173 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000788613501 1047249717 /nfs/dbraw/zinc/24/97/17/1047249717.db2.gz XODGVORWSLUVIW-JXFKEZNVSA-N 1 0 343.467 4.180 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000788613513 1047250389 /nfs/dbraw/zinc/25/03/89/1047250389.db2.gz XODGVORWSLUVIW-UZLBHIALSA-N 1 0 343.467 4.180 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000788670018 1047267979 /nfs/dbraw/zinc/26/79/79/1047267979.db2.gz HSQYWBWWKHUPDO-HOTGVXAUSA-N 1 0 335.513 4.104 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000788794824 1047303877 /nfs/dbraw/zinc/30/38/77/1047303877.db2.gz JKPJZYATAXLPBH-SJCJKPOMSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1ccc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)nc1 ZINC000789595826 1047446243 /nfs/dbraw/zinc/44/62/43/1047446243.db2.gz XDULBHDNMZZZPM-UHFFFAOYSA-N 1 0 348.446 4.307 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(-c2cccc(OC)c2)no1)c1ccccc1O ZINC000897842839 1047494222 /nfs/dbraw/zinc/49/42/22/1047494222.db2.gz ZVYRQWYMZMROFB-GOSISDBHSA-N 1 0 338.407 4.297 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000790484558 1047595745 /nfs/dbraw/zinc/59/57/45/1047595745.db2.gz QLIVREJMZRZPNE-UHFFFAOYSA-N 1 0 341.382 4.480 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1F ZINC000898326971 1047618121 /nfs/dbraw/zinc/61/81/21/1047618121.db2.gz YLTIVNQJXHCJQX-HXUWFJFHSA-N 1 0 327.447 4.308 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000808221743 1047629098 /nfs/dbraw/zinc/62/90/98/1047629098.db2.gz IKYICXDNERLEPF-UHFFFAOYSA-N 1 0 343.430 4.301 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000154871169 1047725312 /nfs/dbraw/zinc/72/53/12/1047725312.db2.gz IWMVRKYCFWEKNB-ROUUACIJSA-N 1 0 328.456 4.253 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169017 1047872315 /nfs/dbraw/zinc/87/23/15/1047872315.db2.gz BEFIZBYIDBRSRU-LSDHHAIUSA-N 1 0 348.359 4.249 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468212 1047877333 /nfs/dbraw/zinc/87/73/33/1047877333.db2.gz GVKSJQHRWBPKSW-VOJFVSQTSA-N 1 0 333.378 4.407 20 10 EICDRO CC(C)(C)c1cc(C[NH2+][C@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000824526627 1047880365 /nfs/dbraw/zinc/88/03/65/1047880365.db2.gz NXSPCSDFCIGVRZ-KRWDZBQOSA-N 1 0 341.499 4.418 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429736 1047944293 /nfs/dbraw/zinc/94/42/93/1047944293.db2.gz OEZMFVAIDHGZOY-HXUWFJFHSA-N 1 0 346.902 4.400 20 10 EICDRO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000824795363 1047966630 /nfs/dbraw/zinc/96/66/30/1047966630.db2.gz WNDNHQJARRQBFB-CQSZACIVSA-N 1 0 349.368 4.218 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017096 1048019084 /nfs/dbraw/zinc/01/90/84/1048019084.db2.gz LLPMJEOAQGTFMZ-LEWSCRJBSA-N 1 0 339.361 4.354 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825058948 1048026145 /nfs/dbraw/zinc/02/61/45/1048026145.db2.gz ORJNPPVMDOZTKD-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO CCc1nc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)co1 ZINC000825061585 1048029201 /nfs/dbraw/zinc/02/92/01/1048029201.db2.gz ILANHATZVQMIIQ-ZDUSSCGKSA-N 1 0 328.334 4.202 20 10 EICDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825084266 1048031278 /nfs/dbraw/zinc/03/12/78/1048031278.db2.gz MTKOJYRISVXURN-LBPRGKRZSA-N 1 0 332.831 4.163 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1O ZINC000808684964 1048036596 /nfs/dbraw/zinc/03/65/96/1048036596.db2.gz QFHRMGFOCMGKBQ-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000808690131 1048038451 /nfs/dbraw/zinc/03/84/51/1048038451.db2.gz JRVKPQOFTZWXSW-LBPRGKRZSA-N 1 0 337.851 4.144 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000825143731 1048043484 /nfs/dbraw/zinc/04/34/84/1048043484.db2.gz IHTQFAYJOIUPPH-IUODEOHRSA-N 1 0 331.378 4.268 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1OC ZINC000808673010 1048045441 /nfs/dbraw/zinc/04/54/41/1048045441.db2.gz VOTSDIYSRPQBRA-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808673651 1048046463 /nfs/dbraw/zinc/04/64/63/1048046463.db2.gz RMWPJSHLOCQIBC-CYBMUJFWSA-N 1 0 343.858 4.363 20 10 EICDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808706291 1048051900 /nfs/dbraw/zinc/05/19/00/1048051900.db2.gz GQRGSZPJMQSXLV-RISCZKNCSA-N 1 0 325.861 4.108 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](CC)c2ccccc2O)cc1OC ZINC000155080840 1048052722 /nfs/dbraw/zinc/05/27/22/1048052722.db2.gz PGAAUBAXPDHLBX-QGZVFWFLSA-N 1 0 329.440 4.431 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000808707374 1048053256 /nfs/dbraw/zinc/05/32/56/1048053256.db2.gz NJILKYAJSZFFQW-BMIGLBTASA-N 1 0 341.785 4.016 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000808722061 1048071849 /nfs/dbraw/zinc/07/18/49/1048071849.db2.gz YCXCSLFKNWUJSF-SVMVAKDDSA-N 1 0 338.495 4.450 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1O ZINC000808699272 1048080830 /nfs/dbraw/zinc/08/08/30/1048080830.db2.gz COGXZZMBFVPWMO-LBPRGKRZSA-N 1 0 334.803 4.156 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1c(C)noc1C ZINC000825385159 1048084085 /nfs/dbraw/zinc/08/40/85/1048084085.db2.gz STSFGCABRSHFFP-ZDUSSCGKSA-N 1 0 339.233 4.000 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(F)c(F)c1 ZINC000825405957 1048088377 /nfs/dbraw/zinc/08/83/77/1048088377.db2.gz LSGZFVRSCOXJRX-MRXNPFEDSA-N 1 0 341.785 4.110 20 10 EICDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510305 1048107504 /nfs/dbraw/zinc/10/75/04/1048107504.db2.gz ZYIFQARBCIDNJZ-BLLLJJGKSA-N 1 0 347.256 4.133 20 10 EICDRO CCO[C@H](C)c1nc(CN(C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054098 1048306819 /nfs/dbraw/zinc/30/68/19/1048306819.db2.gz GVIJHWYMPICMOX-OAHLLOKOSA-N 1 0 347.528 4.247 20 10 EICDRO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069690 1048319847 /nfs/dbraw/zinc/31/98/47/1048319847.db2.gz FOGCYHGMTMCMJY-GOSISDBHSA-N 1 0 329.513 4.335 20 10 EICDRO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069694 1048320139 /nfs/dbraw/zinc/32/01/39/1048320139.db2.gz FOGCYHGMTMCMJY-SFHVURJKSA-N 1 0 329.513 4.335 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000815114889 1048330376 /nfs/dbraw/zinc/33/03/76/1048330376.db2.gz VKIRCAIZVRZNGK-JKSUJKDBSA-N 1 0 327.299 4.158 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000815120065 1048334440 /nfs/dbraw/zinc/33/44/40/1048334440.db2.gz NOULGHFKSLXONI-GOSISDBHSA-N 1 0 332.513 4.054 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC000815151662 1048348327 /nfs/dbraw/zinc/34/83/27/1048348327.db2.gz RLYDWCDIMQRXBT-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000815106268 1048348511 /nfs/dbraw/zinc/34/85/11/1048348511.db2.gz RMDLKFWGYOBVRN-PWRODBHTSA-N 1 0 330.516 4.048 20 10 EICDRO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2Cl)cc1C ZINC000815144580 1048366876 /nfs/dbraw/zinc/36/68/76/1048366876.db2.gz HCDAUWJQWFKZSM-UHFFFAOYSA-N 1 0 349.858 4.007 20 10 EICDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000920085492 1048455543 /nfs/dbraw/zinc/45/55/43/1048455543.db2.gz DPGBPULWIGEVNP-UHFFFAOYSA-N 1 0 339.479 4.310 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000809690412 1048456789 /nfs/dbraw/zinc/45/67/89/1048456789.db2.gz PUCHWZINQGOXQW-HXUWFJFHSA-N 1 0 347.405 4.463 20 10 EICDRO C[C@@H](CO)[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CCC1 ZINC000809664073 1048469617 /nfs/dbraw/zinc/46/96/17/1048469617.db2.gz ADLWCIRPFQSSAD-INIZCTEOSA-N 1 0 325.452 4.042 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844746903 1048486235 /nfs/dbraw/zinc/48/62/35/1048486235.db2.gz PBDWDJRCSQAWLN-QGZVFWFLSA-N 1 0 325.399 4.017 20 10 EICDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N(CC)CC)c(F)c1)C2 ZINC000809708070 1048487340 /nfs/dbraw/zinc/48/73/40/1048487340.db2.gz WZFWFKSXQRZARM-UHFFFAOYSA-N 1 0 334.479 4.063 20 10 EICDRO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000809703936 1048487740 /nfs/dbraw/zinc/48/77/40/1048487740.db2.gz WJTICGQNCURNFJ-HXUWFJFHSA-N 1 0 345.870 4.300 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000809713412 1048491442 /nfs/dbraw/zinc/49/14/42/1048491442.db2.gz PJQVDPLHUCSUDG-UPHRSURJSA-N 1 0 336.204 4.097 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1O ZINC000809719081 1048497099 /nfs/dbraw/zinc/49/70/99/1048497099.db2.gz AYVYCOXGSSEOQS-UHFFFAOYSA-N 1 0 330.815 4.134 20 10 EICDRO c1cncc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000809737649 1048508709 /nfs/dbraw/zinc/50/87/09/1048508709.db2.gz ILTDKCBFCDMUST-UHFFFAOYSA-N 1 0 335.495 4.452 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)CCc2ccc(Cl)s2)c1O ZINC000809740278 1048512911 /nfs/dbraw/zinc/51/29/11/1048512911.db2.gz RZYXBLWQHUPHOX-LLVKDONJSA-N 1 0 325.861 4.227 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809748360 1048515305 /nfs/dbraw/zinc/51/53/05/1048515305.db2.gz PMSZAULFPWYRCA-QFIPXVFZSA-N 1 0 333.431 4.273 20 10 EICDRO Cc1cccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1O ZINC000809754948 1048518978 /nfs/dbraw/zinc/51/89/78/1048518978.db2.gz GDUKZRWMEQVTFV-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO CCC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579924 1048520074 /nfs/dbraw/zinc/52/00/74/1048520074.db2.gz YPZBODYLXUBQNK-FPOVZHCZSA-N 1 0 327.468 4.207 20 10 EICDRO C[C@H]1CCCN1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815585171 1048523145 /nfs/dbraw/zinc/52/31/45/1048523145.db2.gz ZZFQUPUZZPGZBZ-GHTZIAJQSA-N 1 0 338.495 4.140 20 10 EICDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815584139 1048523313 /nfs/dbraw/zinc/52/33/13/1048523313.db2.gz WIVSUKPZZNYYIE-JKSUJKDBSA-N 1 0 329.440 4.136 20 10 EICDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809766454 1048524338 /nfs/dbraw/zinc/52/43/38/1048524338.db2.gz XVWIGUOKNGYTKU-MRXNPFEDSA-N 1 0 349.272 4.441 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000809762892 1048525082 /nfs/dbraw/zinc/52/50/82/1048525082.db2.gz DANBEQYCAJMOEC-UHFFFAOYSA-N 1 0 349.400 4.331 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1F ZINC000809762995 1048525129 /nfs/dbraw/zinc/52/51/29/1048525129.db2.gz GURHQUBVBIXZGB-UHFFFAOYSA-N 1 0 327.447 4.232 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000809778913 1048530061 /nfs/dbraw/zinc/53/00/61/1048530061.db2.gz XQDPLPQGQAWWAN-QGZVFWFLSA-N 1 0 343.492 4.204 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CC)c2ccccc2OC)c1 ZINC000809781150 1048530730 /nfs/dbraw/zinc/53/07/30/1048530730.db2.gz PGNWIXWYWCMDBJ-GOSISDBHSA-N 1 0 329.440 4.383 20 10 EICDRO C[C@H](CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815598892 1048532589 /nfs/dbraw/zinc/53/25/89/1048532589.db2.gz FSMQTTSUGMQETB-FXAWDEMLSA-N 1 0 327.468 4.064 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1O ZINC000809790621 1048534749 /nfs/dbraw/zinc/53/47/49/1048534749.db2.gz MPEZPUXENCAJLC-QZTJIDSGSA-N 1 0 331.843 4.364 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1F ZINC000809789935 1048535334 /nfs/dbraw/zinc/53/53/34/1048535334.db2.gz OEXWZHAJZAVWRS-OKILXGFUSA-N 1 0 332.385 4.445 20 10 EICDRO COc1ccc(C[N@H+](Cc2cc(OC)ccc2O)C(C)(C)C)cc1 ZINC000809792434 1048536264 /nfs/dbraw/zinc/53/62/64/1048536264.db2.gz VSWYFPOKHQLJBO-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000815615718 1048542605 /nfs/dbraw/zinc/54/26/05/1048542605.db2.gz VYSYRZMLTKBXRD-UYAOXDASSA-N 1 0 325.452 4.082 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccnc1F ZINC000815621812 1048548690 /nfs/dbraw/zinc/54/86/90/1048548690.db2.gz FFCFLXCLMXKIIK-LJQANCHMSA-N 1 0 336.410 4.390 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000815643115 1048567056 /nfs/dbraw/zinc/56/70/56/1048567056.db2.gz UJVQUJZFUDOHES-HOTGVXAUSA-N 1 0 325.456 4.189 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1cc(F)ccc1O ZINC000815647721 1048573320 /nfs/dbraw/zinc/57/33/20/1048573320.db2.gz SMMUZKQZNGDKJI-QWHCGFSZSA-N 1 0 343.377 4.268 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000810168105 1048652288 /nfs/dbraw/zinc/65/22/88/1048652288.db2.gz UNXJVQREHJYHSO-UHFFFAOYSA-N 1 0 340.515 4.064 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)c1 ZINC000810179963 1048669972 /nfs/dbraw/zinc/66/99/72/1048669972.db2.gz KBOOLWOHQHRECU-INIZCTEOSA-N 1 0 338.451 4.068 20 10 EICDRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000810211682 1048680929 /nfs/dbraw/zinc/68/09/29/1048680929.db2.gz UYWUZZCLKZZTLY-OAHLLOKOSA-N 1 0 341.377 4.047 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810215215 1048684016 /nfs/dbraw/zinc/68/40/16/1048684016.db2.gz AMJBNRHINMGZKE-MEBBXXQBSA-N 1 0 341.377 4.255 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810218147 1048686073 /nfs/dbraw/zinc/68/60/73/1048686073.db2.gz OYHOICJWXJWFEK-INIZCTEOSA-N 1 0 338.373 4.398 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810221630 1048690432 /nfs/dbraw/zinc/69/04/32/1048690432.db2.gz ILPRLLHKLYMCAA-RBOXIYTFSA-N 1 0 342.405 4.077 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810221627 1048690867 /nfs/dbraw/zinc/69/08/67/1048690867.db2.gz ILPRLLHKLYMCAA-FFSVYQOJSA-N 1 0 342.405 4.077 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C(F)(F)F)cc1O ZINC000810223958 1048692481 /nfs/dbraw/zinc/69/24/81/1048692481.db2.gz PLWDRNUOHWRVFB-AWEZNQCLSA-N 1 0 328.309 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228049 1048695443 /nfs/dbraw/zinc/69/54/43/1048695443.db2.gz QHKLNYCPIJUIRP-TZMCWYRMSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228048 1048696339 /nfs/dbraw/zinc/69/63/39/1048696339.db2.gz QHKLNYCPIJUIRP-OCCSQVGLSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(C(F)(F)F)cc1O ZINC000810210143 1048704775 /nfs/dbraw/zinc/70/47/75/1048704775.db2.gz NYCHKFSJOGVTJG-GFCCVEGCSA-N 1 0 330.375 4.417 20 10 EICDRO Oc1cc(O)c(C[NH+]2CCC(c3ccc4ccccc4c3)CC2)c(O)c1 ZINC001144508940 1048705731 /nfs/dbraw/zinc/70/57/31/1048705731.db2.gz DWYGWKWNXUMMRV-UHFFFAOYSA-N 1 0 349.430 4.336 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237381 1048720170 /nfs/dbraw/zinc/72/01/70/1048720170.db2.gz GUWCMJIVGUCZPD-ZFWWWQNUSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000810242968 1048723761 /nfs/dbraw/zinc/72/37/61/1048723761.db2.gz JKZIZPNEZSPLKL-IIBYNOLFSA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000810242967 1048725110 /nfs/dbraw/zinc/72/51/10/1048725110.db2.gz JKZIZPNEZSPLKL-IERDGZPVSA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C)cc1O ZINC000810253288 1048731665 /nfs/dbraw/zinc/73/16/65/1048731665.db2.gz QEUCVPIRDOMFIS-VQIMIIECSA-N 1 0 331.481 4.291 20 10 EICDRO Cc1cc(C[N@H+](C)Cc2ccccc2O)c(F)cc1Br ZINC001144591198 1048739724 /nfs/dbraw/zinc/73/97/24/1048739724.db2.gz UUDHGERAXNLCDO-UHFFFAOYSA-N 1 0 338.220 4.234 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000845971530 1048769050 /nfs/dbraw/zinc/76/90/50/1048769050.db2.gz KYPAZUKUGRVAEK-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO COc1cc(C[N@@H+]2CCc3sccc3C2)c(O)c(C(C)(C)C)c1 ZINC000217961108 1048773377 /nfs/dbraw/zinc/77/33/77/1048773377.db2.gz LAOONJUISKQIEA-UHFFFAOYSA-N 1 0 331.481 4.318 20 10 EICDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016874 1048784539 /nfs/dbraw/zinc/78/45/39/1048784539.db2.gz KEVLLNZUBGAVMX-IIBYNOLFSA-N 1 0 342.458 4.028 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000846016688 1048785506 /nfs/dbraw/zinc/78/55/06/1048785506.db2.gz ZPMZQZDFTRRTBO-ONEGZZNKSA-N 1 0 342.380 4.132 20 10 EICDRO C[N@H+](Cc1cc(Cl)cc(Br)c1)Cc1ccccc1O ZINC001144689574 1048809137 /nfs/dbraw/zinc/80/91/37/1048809137.db2.gz CMHHIRSPKBTOSA-UHFFFAOYSA-N 1 0 340.648 4.440 20 10 EICDRO Oc1c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc2ccccc21 ZINC000816495615 1048815279 /nfs/dbraw/zinc/81/52/79/1048815279.db2.gz CLAIJLONAZRNNC-IBGZPJMESA-N 1 0 337.419 4.320 20 10 EICDRO CCOCc1cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)ccc1OC ZINC000846102629 1048821436 /nfs/dbraw/zinc/82/14/36/1048821436.db2.gz POYMFJIIMZIHCZ-HNNXBMFYSA-N 1 0 346.298 4.295 20 10 EICDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509228 1048823361 /nfs/dbraw/zinc/82/33/61/1048823361.db2.gz IRSOUASYKWGITH-JOCHJYFZSA-N 1 0 333.431 4.293 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000846152612 1048825159 /nfs/dbraw/zinc/82/51/59/1048825159.db2.gz AWTVFYKXQRFMKE-QUJCMNEKSA-N 1 0 349.858 4.481 20 10 EICDRO COc1cc2c(cc1C[NH2+]Cc1ccc3ccccc3c1O)O[C@H](C)C2 ZINC000816534523 1048825170 /nfs/dbraw/zinc/82/51/70/1048825170.db2.gz LOYKEYKAWDRAGD-CQSZACIVSA-N 1 0 349.430 4.167 20 10 EICDRO Oc1c(C[NH2+]CCc2cnn(-c3ccccc3)c2)ccc2ccccc21 ZINC000816534121 1048825183 /nfs/dbraw/zinc/82/51/83/1048825183.db2.gz XIXXMJMFUSJUAM-UHFFFAOYSA-N 1 0 343.430 4.063 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)c1O ZINC000846163007 1048826778 /nfs/dbraw/zinc/82/67/78/1048826778.db2.gz KCAUAJSWCGUGNG-HNNXBMFYSA-N 1 0 341.451 4.182 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1O ZINC000846163310 1048827013 /nfs/dbraw/zinc/82/70/13/1048827013.db2.gz HUJZYKOXWAEPDT-DOMZBBRYSA-N 1 0 339.357 4.398 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167118 1048827193 /nfs/dbraw/zinc/82/71/93/1048827193.db2.gz GSEXLCCRVJGVAJ-BDAKNGLRSA-N 1 0 346.374 4.288 20 10 EICDRO COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cc1F ZINC000816546718 1048828768 /nfs/dbraw/zinc/82/87/68/1048828768.db2.gz UESAOVHQPYAXIV-UHFFFAOYSA-N 1 0 325.383 4.025 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCOCc2ccccc2)c1O ZINC000846173358 1048829135 /nfs/dbraw/zinc/82/91/35/1048829135.db2.gz RFZDTRQVMINUBA-HOTGVXAUSA-N 1 0 329.440 4.047 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846141175 1048830265 /nfs/dbraw/zinc/83/02/65/1048830265.db2.gz FNMKCXOULFYEGP-HUUCEWRRSA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2csc(Br)c2)c1O ZINC000846139713 1048830759 /nfs/dbraw/zinc/83/07/59/1048830759.db2.gz SIAWAOVBAUERND-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)Oc1ccccc1F ZINC000846144376 1048831567 /nfs/dbraw/zinc/83/15/67/1048831567.db2.gz CPCUDDKEVIMECT-UONOGXRCSA-N 1 0 333.403 4.048 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)c2ccccc2OC)c1O ZINC000846142361 1048831716 /nfs/dbraw/zinc/83/17/16/1048831716.db2.gz RZTAALXDGKMHNR-AWEZNQCLSA-N 1 0 329.440 4.038 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)c1O ZINC000846142695 1048832242 /nfs/dbraw/zinc/83/22/42/1048832242.db2.gz ABYBXHPFLFMRJN-CRAIPNDOSA-N 1 0 328.456 4.188 20 10 EICDRO Oc1c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)ccc2ccccc21 ZINC000816594256 1048832238 /nfs/dbraw/zinc/83/22/38/1048832238.db2.gz VUXIBUVGVHSVPG-UHFFFAOYSA-N 1 0 335.300 4.392 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c1O ZINC000846145960 1048832823 /nfs/dbraw/zinc/83/28/23/1048832823.db2.gz OYLAXHOMMZFMCW-AWEZNQCLSA-N 1 0 329.465 4.376 20 10 EICDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559245 1048835875 /nfs/dbraw/zinc/83/58/75/1048835875.db2.gz COZCXWKBINWRNK-DYVFJYSZSA-N 1 0 327.449 4.209 20 10 EICDRO C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1cccc(Cl)c1 ZINC000816570251 1048837108 /nfs/dbraw/zinc/83/71/08/1048837108.db2.gz NXEHLXOEGDOMNE-HXUWFJFHSA-N 1 0 341.838 4.196 20 10 EICDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1O ZINC000846187075 1048837240 /nfs/dbraw/zinc/83/72/40/1048837240.db2.gz HXYDTTKVLJCLIV-VLIAUNLRSA-N 1 0 325.452 4.401 20 10 EICDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)OCCc2sccc21 ZINC000816614722 1048844886 /nfs/dbraw/zinc/84/48/86/1048844886.db2.gz DJIMBTWKXJBSBI-HXUWFJFHSA-N 1 0 339.460 4.185 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665932 1048852007 /nfs/dbraw/zinc/85/20/07/1048852007.db2.gz AJSCIFGLXYCICL-FCHUYYIVSA-N 1 0 335.447 4.203 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)c1ccccc1O ZINC001170855430 1048902896 /nfs/dbraw/zinc/90/28/96/1048902896.db2.gz ZBICCYDIBRYALX-BLLLJJGKSA-N 1 0 346.268 4.363 20 10 EICDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000772960138 1048998011 /nfs/dbraw/zinc/99/80/11/1048998011.db2.gz SBGWRISZTQHYPE-YVHKJVDXSA-N 1 0 336.479 4.422 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc(C)n1 ZINC000817590116 1049018286 /nfs/dbraw/zinc/01/82/86/1049018286.db2.gz TYUMSCLLICPUBG-CYBMUJFWSA-N 1 0 349.272 4.326 20 10 EICDRO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC001171288929 1049063403 /nfs/dbraw/zinc/06/34/03/1049063403.db2.gz NYUCBTGKGPXJEM-QWHCGFSZSA-N 1 0 331.843 4.262 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)sc1Br ZINC000817958444 1049066527 /nfs/dbraw/zinc/06/65/27/1049066527.db2.gz WBPNQVTVFBYQLH-LLVKDONJSA-N 1 0 339.302 4.295 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817956931 1049066830 /nfs/dbraw/zinc/06/68/30/1049066830.db2.gz GBMDONSBPONQFT-XHDPSFHLSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2O ZINC000817974913 1049074010 /nfs/dbraw/zinc/07/40/10/1049074010.db2.gz HKMGPBCVEJFTAQ-YVEFUNNKSA-N 1 0 326.415 4.228 20 10 EICDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974856 1049074228 /nfs/dbraw/zinc/07/42/28/1049074228.db2.gz GRHBIOKLGIQPHP-LIRRHRJNSA-N 1 0 339.483 4.288 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976063 1049074459 /nfs/dbraw/zinc/07/44/59/1049074459.db2.gz UUEXBBMORTYPNV-IJLUTSLNSA-N 1 0 331.287 4.115 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c(O)c1 ZINC000817975082 1049075413 /nfs/dbraw/zinc/07/54/13/1049075413.db2.gz IIZJCPDIGIMAHY-GUYCJALGSA-N 1 0 326.440 4.236 20 10 EICDRO CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980120 1049076855 /nfs/dbraw/zinc/07/68/55/1049076855.db2.gz IWGUYHXSKZAESK-FZMZJTMJSA-N 1 0 331.287 4.272 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc2c(cc1O)CCCC2 ZINC000817978131 1049077464 /nfs/dbraw/zinc/07/74/64/1049077464.db2.gz WQWFUYRVVNALOE-HNNXBMFYSA-N 1 0 336.479 4.480 20 10 EICDRO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984994 1049081145 /nfs/dbraw/zinc/08/11/45/1049081145.db2.gz DWIYYIJIGIGJQB-OAHLLOKOSA-N 1 0 329.271 4.050 20 10 EICDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC001171296941 1049093856 /nfs/dbraw/zinc/09/38/56/1049093856.db2.gz CWGJYDYRXCZLRY-OAHLLOKOSA-N 1 0 344.886 4.062 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811519456 1049105940 /nfs/dbraw/zinc/10/59/40/1049105940.db2.gz XWTNQVGETYERRW-VQTJNVASSA-N 1 0 328.500 4.066 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(Cl)cs3)C2)cc1 ZINC000818221023 1049113649 /nfs/dbraw/zinc/11/36/49/1049113649.db2.gz KOPTUPHYRKAZPM-ZDUSSCGKSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000818221816 1049114940 /nfs/dbraw/zinc/11/49/40/1049114940.db2.gz UJUQVKPDAJLADJ-ZDUSSCGKSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C2)cc1 ZINC000818342776 1049134066 /nfs/dbraw/zinc/13/40/66/1049134066.db2.gz VMJVQDZDOARSJL-LSDHHAIUSA-N 1 0 344.421 4.232 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccsc1 ZINC000818342847 1049135400 /nfs/dbraw/zinc/13/54/00/1049135400.db2.gz VWIKYBMHEYJMIS-KXBFYZLASA-N 1 0 330.497 4.324 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3sccc3C)C2)cc1 ZINC000818345476 1049139204 /nfs/dbraw/zinc/13/92/04/1049139204.db2.gz UYZOPFZWOXXEIY-HOTGVXAUSA-N 1 0 330.497 4.242 20 10 EICDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1cccc2ccccc21 ZINC000819063957 1049257009 /nfs/dbraw/zinc/25/70/09/1049257009.db2.gz QMVJMQKXGVSXEK-KRWDZBQOSA-N 1 0 344.505 4.102 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987461 1049266858 /nfs/dbraw/zinc/26/68/58/1049266858.db2.gz WEUJALBJIMXORP-KXBFYZLASA-N 1 0 340.467 4.326 20 10 EICDRO COc1ccc(Cl)c2c1C[C@H]([N@H+](C)Cc1ccccc1O)CC2 ZINC001171326845 1049288159 /nfs/dbraw/zinc/28/81/59/1049288159.db2.gz SFGOUWPBABZISO-CQSZACIVSA-N 1 0 331.843 4.044 20 10 EICDRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1OC ZINC000772994801 1049358508 /nfs/dbraw/zinc/35/85/08/1049358508.db2.gz BNHXQDHFRXHWCL-AWEZNQCLSA-N 1 0 346.446 4.068 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(N(C)C)cc1 ZINC001170668366 1049389125 /nfs/dbraw/zinc/38/91/25/1049389125.db2.gz HCGGADZZYOJSBR-GUYCJALGSA-N 1 0 330.422 4.239 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000747788080 1049439890 /nfs/dbraw/zinc/43/98/90/1049439890.db2.gz AQLKJQQQADGUQU-LJQANCHMSA-N 1 0 348.446 4.122 20 10 EICDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773000435 1049514417 /nfs/dbraw/zinc/51/44/17/1049514417.db2.gz PMJUQMSIKWFOGB-KRWDZBQOSA-N 1 0 348.494 4.406 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1c(F)cccc1F ZINC000773029948 1049541908 /nfs/dbraw/zinc/54/19/08/1049541908.db2.gz LGXRXQGIWBFHEM-GMVOTWDCSA-N 1 0 348.437 4.194 20 10 EICDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050940 1049554447 /nfs/dbraw/zinc/55/44/47/1049554447.db2.gz VWMLSLMQKPJMMH-APWZRJJASA-N 1 0 344.524 4.431 20 10 EICDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000812735221 1049554710 /nfs/dbraw/zinc/55/47/10/1049554710.db2.gz XTZOBYZDXBTUMI-QRWLVFNGSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000812735924 1049557445 /nfs/dbraw/zinc/55/74/45/1049557445.db2.gz IEKANSBYKOVYMV-JKSUJKDBSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000812735918 1049557777 /nfs/dbraw/zinc/55/77/77/1049557777.db2.gz IEKANSBYKOVYMV-CVEARBPZSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000773066597 1049559253 /nfs/dbraw/zinc/55/92/53/1049559253.db2.gz VVCPLQSDQNNQKM-PGRDOPGGSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000773077352 1049567556 /nfs/dbraw/zinc/56/75/56/1049567556.db2.gz CXUDLRRJLHTMOC-PKOBYXMFSA-N 1 0 328.500 4.429 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107935 1049584544 /nfs/dbraw/zinc/58/45/44/1049584544.db2.gz RKGLNTKMDZLTRG-GOEBONIOSA-N 1 0 344.421 4.031 20 10 EICDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000812823122 1049586030 /nfs/dbraw/zinc/58/60/30/1049586030.db2.gz XQZPMUBATJVIFO-SFHVURJKSA-N 1 0 338.495 4.447 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000179642956 1049701858 /nfs/dbraw/zinc/70/18/58/1049701858.db2.gz ICHPWUCNNYDRHE-KRWDZBQOSA-N 1 0 325.452 4.382 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(N(C)C)cc1 ZINC001171462246 1049713618 /nfs/dbraw/zinc/71/36/18/1049713618.db2.gz FVFVTVSLWCZUJO-GUYCJALGSA-N 1 0 330.422 4.239 20 10 EICDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C12CCC2 ZINC001170981811 1049744281 /nfs/dbraw/zinc/74/42/81/1049744281.db2.gz SPTHXBWZCLZYPO-UXHICEINSA-N 1 0 328.500 4.033 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH+]2CC(CC(F)F)C2)cc1 ZINC000822520452 1049766977 /nfs/dbraw/zinc/76/69/77/1049766977.db2.gz BSKILSZPUFUNEE-UHFFFAOYSA-N 1 0 336.451 4.472 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)ccc1OC ZINC000747853758 1049769609 /nfs/dbraw/zinc/76/96/09/1049769609.db2.gz GTJJBULAXASBDP-RDTXWAMCSA-N 1 0 329.440 4.238 20 10 EICDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777858 1049796819 /nfs/dbraw/zinc/79/68/19/1049796819.db2.gz HOERJOWHBGUERO-LJQANCHMSA-N 1 0 330.516 4.375 20 10 EICDRO CCCc1nc(C)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000813792443 1049817531 /nfs/dbraw/zinc/81/75/31/1049817531.db2.gz PNZHZHIQEAQOFN-UHFFFAOYSA-N 1 0 327.472 4.216 20 10 EICDRO CC(C)([NH2+]Cc1cc(Br)ccc1O)c1ccccc1F ZINC000813791486 1049817727 /nfs/dbraw/zinc/81/77/27/1049817727.db2.gz BTNNGDARJBDZNL-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2O ZINC000813883502 1049831577 /nfs/dbraw/zinc/83/15/77/1049831577.db2.gz OEEGXYSDPAMCIK-XJKCOSOUSA-N 1 0 344.405 4.087 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000823671252 1049868519 /nfs/dbraw/zinc/86/85/19/1049868519.db2.gz KQOSDOXQAVIKCY-KBPBESRZSA-N 1 0 348.487 4.099 20 10 EICDRO Cc1ncsc1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823808002 1049876803 /nfs/dbraw/zinc/87/68/03/1049876803.db2.gz XCHCOJRKFQEWQL-UHFFFAOYSA-N 1 0 343.521 4.439 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)CC1 ZINC000823836286 1049879666 /nfs/dbraw/zinc/87/96/66/1049879666.db2.gz CZQZWFPLIJXQPO-UHFFFAOYSA-N 1 0 335.451 4.354 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(C)CCOCC2)cc1 ZINC000823961726 1049887208 /nfs/dbraw/zinc/88/72/08/1049887208.db2.gz WWBODXWELRTORF-UHFFFAOYSA-N 1 0 344.524 4.291 20 10 EICDRO COc1cccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1O ZINC000180658055 1049923560 /nfs/dbraw/zinc/92/35/60/1049923560.db2.gz DUVAFCOMMIDZMY-UHFFFAOYSA-N 1 0 334.419 4.171 20 10 EICDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cccc(O)c1O ZINC001172578763 1049951873 /nfs/dbraw/zinc/95/18/73/1049951873.db2.gz RKDONNYARWXRNC-SNVBAGLBSA-N 1 0 341.785 4.140 20 10 EICDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172578438 1049952130 /nfs/dbraw/zinc/95/21/30/1049952130.db2.gz OCFMTELYEUMONW-SNVBAGLBSA-N 1 0 341.785 4.140 20 10 EICDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001177464626 1050215009 /nfs/dbraw/zinc/21/50/09/1050215009.db2.gz SIMRMGAFYBZZJE-KWEPMOPPSA-N 1 0 338.495 4.440 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001177744078 1050290901 /nfs/dbraw/zinc/29/09/01/1050290901.db2.gz QUKIANSFWKNYPO-KNQAVFIVSA-N 1 0 349.522 4.212 20 10 EICDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1OC ZINC001177823159 1050298305 /nfs/dbraw/zinc/29/83/05/1050298305.db2.gz QWISNRRNXUBXLZ-AWEZNQCLSA-N 1 0 346.446 4.068 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(Cl)c2N)cc1F ZINC001177795420 1050303839 /nfs/dbraw/zinc/30/38/39/1050303839.db2.gz SFDWXEHKFXTBIK-UHFFFAOYSA-N 1 0 335.854 4.197 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893763 1050322182 /nfs/dbraw/zinc/32/21/82/1050322182.db2.gz NLHMZLHDWLRJKG-LZVBJTEYSA-N 1 0 335.495 4.024 20 10 EICDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Oc1cccc(Cl)c1 ZINC001177929586 1050337748 /nfs/dbraw/zinc/33/77/48/1050337748.db2.gz ZDPLAYWQUSUTBC-OGZRUICASA-N 1 0 344.886 4.476 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC001178156832 1050391338 /nfs/dbraw/zinc/39/13/38/1050391338.db2.gz HPZUIDRYCKUQCM-MJGOQNOKSA-N 1 0 329.532 4.028 20 10 EICDRO CCc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC001178445425 1050460688 /nfs/dbraw/zinc/46/06/88/1050460688.db2.gz YUQOQVUNUSJEHT-SFHVURJKSA-N 1 0 328.431 4.068 20 10 EICDRO COC(=O)CCCC[C@H](C)[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001173449790 1050465780 /nfs/dbraw/zinc/46/57/80/1050465780.db2.gz WEKLRRSHDSBQHL-MGPUTAFESA-N 1 0 347.499 4.344 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1 ZINC001178492726 1050468585 /nfs/dbraw/zinc/46/85/85/1050468585.db2.gz NOEKSXQQUUXHRT-RBBKRZOGSA-N 1 0 338.495 4.370 20 10 EICDRO Fc1cc(C[NH2+]C2CCCCCCC2)cc(F)c1N1CCOCC1 ZINC001206203695 1050481504 /nfs/dbraw/zinc/48/15/04/1050481504.db2.gz BKRGFSILNRZMRE-UHFFFAOYSA-N 1 0 338.442 4.004 20 10 EICDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001178689028 1050532356 /nfs/dbraw/zinc/53/23/56/1050532356.db2.gz QQCLMPPCIQCPNT-INIZCTEOSA-N 1 0 325.452 4.302 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000773765463 1050535325 /nfs/dbraw/zinc/53/53/25/1050535325.db2.gz KMYBIBWMPGVYIR-UHFFFAOYSA-N 1 0 336.479 4.164 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](CO)C(C)C ZINC001178773567 1050559622 /nfs/dbraw/zinc/55/96/22/1050559622.db2.gz AGFGAGURPHIXEZ-LEWJYISDSA-N 1 0 332.532 4.056 20 10 EICDRO CCCc1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001179002386 1050607070 /nfs/dbraw/zinc/60/70/70/1050607070.db2.gz OCEVIMQGQSCKOE-FQEVSTJZSA-N 1 0 338.495 4.264 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1 ZINC001179110956 1050635325 /nfs/dbraw/zinc/63/53/25/1050635325.db2.gz QJIWYMXQXHIUPV-UHFFFAOYSA-N 1 0 333.479 4.413 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C(C)(C)C)oc3C)C2)cc1 ZINC001179128679 1050637262 /nfs/dbraw/zinc/63/72/62/1050637262.db2.gz CSLDZIGIEDKYNK-QGZVFWFLSA-N 1 0 342.483 4.263 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](CC)Cc2ccc(F)cc2)ccc1OC ZINC001179129199 1050637643 /nfs/dbraw/zinc/63/76/43/1050637643.db2.gz NNOWGLJKFMHYDB-HXUWFJFHSA-N 1 0 345.458 4.482 20 10 EICDRO C[NH+](C)Cc1ccccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001173929409 1050650189 /nfs/dbraw/zinc/65/01/89/1050650189.db2.gz PTVJTUYYABIOGJ-JBUPZVEHSA-N 1 0 346.438 4.016 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)cc1 ZINC001179222340 1050652196 /nfs/dbraw/zinc/65/21/96/1050652196.db2.gz HCQZWAOVPGSFJY-NRFANRHFSA-N 1 0 342.483 4.019 20 10 EICDRO C[NH+](C)Cc1ccccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001173931032 1050652393 /nfs/dbraw/zinc/65/23/93/1050652393.db2.gz DBKDQMKGAUOXSH-UHFFFAOYSA-N 1 0 331.419 4.118 20 10 EICDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950745 1050827282 /nfs/dbraw/zinc/82/72/82/1050827282.db2.gz HFFWAKJYCLSIGH-IAGOWNOFSA-N 1 0 327.415 4.086 20 10 EICDRO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3ccc(C)nc3)c2C)cc1 ZINC001179920298 1050835711 /nfs/dbraw/zinc/83/57/11/1050835711.db2.gz SPCQXIYPEWCINX-UHFFFAOYSA-N 1 0 349.478 4.438 20 10 EICDRO CCc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154801 1050902299 /nfs/dbraw/zinc/90/22/99/1050902299.db2.gz XQAVJOXADSLTKY-OXQOHEQNSA-N 1 0 325.452 4.225 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCCO1 ZINC000182960282 1050911490 /nfs/dbraw/zinc/91/14/90/1050911490.db2.gz FKAQSVVLWOIMGZ-FQEVSTJZSA-N 1 0 348.446 4.122 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC001180267601 1050943268 /nfs/dbraw/zinc/94/32/68/1050943268.db2.gz YQCGLFXFSRSUDV-CQSZACIVSA-N 1 0 338.373 4.354 20 10 EICDRO CC(C)c1ccc(O)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC001180523903 1051015116 /nfs/dbraw/zinc/01/51/16/1051015116.db2.gz VIKLLTSDGDAGKO-JOCHJYFZSA-N 1 0 339.479 4.461 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC001204145952 1051129268 /nfs/dbraw/zinc/12/92/68/1051129268.db2.gz PVGLEMCQUWMUGH-UHFFFAOYSA-N 1 0 338.282 4.274 20 10 EICDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000183466656 1051130660 /nfs/dbraw/zinc/13/06/60/1051130660.db2.gz LLOVQAHOFLFRLS-KGLIPLIRSA-N 1 0 339.414 4.437 20 10 EICDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccn1 ZINC000183506477 1051137131 /nfs/dbraw/zinc/13/71/31/1051137131.db2.gz NFTOFERPBOKGCB-HOTGVXAUSA-N 1 0 328.456 4.451 20 10 EICDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2O)ccn1 ZINC000183506508 1051137267 /nfs/dbraw/zinc/13/72/67/1051137267.db2.gz NFTOFERPBOKGCB-JKSUJKDBSA-N 1 0 328.456 4.451 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccc(Cl)cc2)c1 ZINC000775372143 1051142412 /nfs/dbraw/zinc/14/24/12/1051142412.db2.gz YWGYVABHCFGIOX-ZDUSSCGKSA-N 1 0 335.831 4.174 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)ccc3cccnc32)c1 ZINC000775375196 1051157137 /nfs/dbraw/zinc/15/71/37/1051157137.db2.gz JWMVQAPVFHHWKA-GFCCVEGCSA-N 1 0 342.826 4.453 20 10 EICDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000183646366 1051222509 /nfs/dbraw/zinc/22/25/09/1051222509.db2.gz AMDQOCYDHFWNMG-KRWDZBQOSA-N 1 0 339.483 4.016 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894672 1051300517 /nfs/dbraw/zinc/30/05/17/1051300517.db2.gz GYDZSCCGCSZBLW-LJQANCHMSA-N 1 0 345.483 4.213 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC001181988220 1051366314 /nfs/dbraw/zinc/36/63/14/1051366314.db2.gz XESRIWJUPAUIPW-QGZVFWFLSA-N 1 0 349.883 4.421 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1O ZINC000775483215 1051550626 /nfs/dbraw/zinc/55/06/26/1051550626.db2.gz PJEJCCAKGXQQAS-MRXNPFEDSA-N 1 0 349.858 4.346 20 10 EICDRO CC[C@@H]([NH2+]CCOc1ccccc1OC)c1cc(Cl)ccc1O ZINC000775483620 1051555003 /nfs/dbraw/zinc/55/50/03/1051555003.db2.gz ZWMOKAHRNBDRGG-OAHLLOKOSA-N 1 0 335.831 4.174 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1O ZINC000775485680 1051558555 /nfs/dbraw/zinc/55/85/55/1051558555.db2.gz ZBUYTLBIZQYBOU-CQSZACIVSA-N 1 0 337.366 4.243 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1O ZINC000775487584 1051564731 /nfs/dbraw/zinc/56/47/31/1051564731.db2.gz LBTURWONFQNSRN-NRFANRHFSA-N 1 0 349.478 4.478 20 10 EICDRO CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)cc1 ZINC000775488663 1051570394 /nfs/dbraw/zinc/57/03/94/1051570394.db2.gz QSQNVCBDRNXLFW-QGZVFWFLSA-N 1 0 346.858 4.036 20 10 EICDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775489702 1051580096 /nfs/dbraw/zinc/58/00/96/1051580096.db2.gz QOMKRIYETCWGDZ-HUUCEWRRSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1O ZINC000775493276 1051592917 /nfs/dbraw/zinc/59/29/17/1051592917.db2.gz WWXNHDKHICSQSP-QGZVFWFLSA-N 1 0 329.440 4.429 20 10 EICDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774496444 1051617518 /nfs/dbraw/zinc/61/75/18/1051617518.db2.gz LAHMVVIAWGKIEA-NSHDSACASA-N 1 0 343.298 4.224 20 10 EICDRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)c1 ZINC000775498432 1051622170 /nfs/dbraw/zinc/62/21/70/1051622170.db2.gz ZCYVAPUKVURCOX-QGZVFWFLSA-N 1 0 346.858 4.036 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cc(Cl)ccc1O ZINC000775499644 1051623980 /nfs/dbraw/zinc/62/39/80/1051623980.db2.gz STPZDXUVSWPGFZ-MRXNPFEDSA-N 1 0 334.847 4.307 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cc(Cl)ccc1O ZINC000775499642 1051624522 /nfs/dbraw/zinc/62/45/22/1051624522.db2.gz STPZDXUVSWPGFZ-INIZCTEOSA-N 1 0 334.847 4.307 20 10 EICDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001182555346 1051628580 /nfs/dbraw/zinc/62/85/80/1051628580.db2.gz PEHIULPEJDCRDQ-AWEZNQCLSA-N 1 0 344.817 4.313 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510024 1051642061 /nfs/dbraw/zinc/64/20/61/1051642061.db2.gz UIXDBBOLOAMTMQ-ZBFHGGJFSA-N 1 0 325.861 4.056 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC001182752590 1051683654 /nfs/dbraw/zinc/68/36/54/1051683654.db2.gz AIOMFGVMMHEFFD-UHFFFAOYSA-N 1 0 342.345 4.148 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1O ZINC000775523205 1051691343 /nfs/dbraw/zinc/69/13/43/1051691343.db2.gz FCKXQNIDYHOQMB-ZWKOTPCHSA-N 1 0 330.859 4.273 20 10 EICDRO CC[C@H](OCC[NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccccc1 ZINC001182734609 1051691871 /nfs/dbraw/zinc/69/18/71/1051691871.db2.gz XKBIWUFSGWPZDL-KRWDZBQOSA-N 1 0 349.858 4.312 20 10 EICDRO CC[C@@H]([NH2+]CCSCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775526258 1051712818 /nfs/dbraw/zinc/71/28/18/1051712818.db2.gz PTFVYABSANKUJK-LLVKDONJSA-N 1 0 327.799 4.382 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cc(Br)ccc1O ZINC000775532259 1051748222 /nfs/dbraw/zinc/74/82/22/1051748222.db2.gz ULCAQVMAGQQVJO-HZUKXOBISA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Cl)ccc1O ZINC000775541881 1051792360 /nfs/dbraw/zinc/79/23/60/1051792360.db2.gz HPWACQILLUMFBP-MRXNPFEDSA-N 1 0 328.803 4.190 20 10 EICDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001192744709 1051800698 /nfs/dbraw/zinc/80/06/98/1051800698.db2.gz HUGREZLFMHDEHN-LIRRHRJNSA-N 1 0 332.875 4.272 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000775551013 1051818915 /nfs/dbraw/zinc/81/89/15/1051818915.db2.gz GDCFYQRLYBFBOR-AEFFLSMTSA-N 1 0 333.859 4.080 20 10 EICDRO Cc1cc([N@@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)cc(C)c1N ZINC001175932299 1051847763 /nfs/dbraw/zinc/84/77/63/1051847763.db2.gz QCJMWXXNBJZSKA-GEQPAYBISA-N 1 0 332.411 4.153 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CC2CCC1CC2 ZINC001184217570 1051968791 /nfs/dbraw/zinc/96/87/91/1051968791.db2.gz GUUAVOJRUGTKKJ-NNXJCTPVSA-N 1 0 343.559 4.160 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)c1 ZINC000184902558 1052298249 /nfs/dbraw/zinc/29/82/49/1052298249.db2.gz MKRNOFJLSKDEBJ-JKSUJKDBSA-N 1 0 329.440 4.219 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107308 1052434465 /nfs/dbraw/zinc/43/44/65/1052434465.db2.gz YWJBHBJPBQHYBC-PBHICJAKSA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccc2c(c1)OCCO2 ZINC000185107066 1052434846 /nfs/dbraw/zinc/43/48/46/1052434846.db2.gz WYLZOJCXFGKDCZ-RHSMWYFYSA-N 1 0 327.424 4.274 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc2c(cc1O)CCCC2 ZINC000185125432 1052447541 /nfs/dbraw/zinc/44/75/41/1052447541.db2.gz TVCOOSZUXIGDTG-INIZCTEOSA-N 1 0 347.462 4.308 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N2CCCC2)o1 ZINC000185297876 1052571193 /nfs/dbraw/zinc/57/11/93/1052571193.db2.gz FERHOQOSWSVQHY-SJLPKXTDSA-N 1 0 328.456 4.090 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N2CCCC2)o1 ZINC000185298090 1052571322 /nfs/dbraw/zinc/57/13/22/1052571322.db2.gz YFKBLKYLNBDACB-AEFFLSMTSA-N 1 0 328.456 4.090 20 10 EICDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000186114533 1052889872 /nfs/dbraw/zinc/88/98/72/1052889872.db2.gz LWYASCWUCBNTCJ-CQSZACIVSA-N 1 0 348.537 4.161 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@H](O)Cc1ccccc1 ZINC000186147683 1052950254 /nfs/dbraw/zinc/95/02/54/1052950254.db2.gz UWJLZYHIUJYBOS-GCKMJXCFSA-N 1 0 335.447 4.188 20 10 EICDRO COc1cc(C[NH2+]CCc2sc(C)nc2C)c(O)c(C(C)(C)C)c1 ZINC000850129390 1053075469 /nfs/dbraw/zinc/07/54/69/1053075469.db2.gz SAECDLZYXFIJGH-UHFFFAOYSA-N 1 0 348.512 4.104 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(Cl)cn2)c(O)c(C(C)(C)C)c1 ZINC000850237058 1053095641 /nfs/dbraw/zinc/09/56/41/1053095641.db2.gz XHAGVFVMFBKMTI-UHFFFAOYSA-N 1 0 334.847 4.037 20 10 EICDRO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764435247 1053099372 /nfs/dbraw/zinc/09/93/72/1053099372.db2.gz YREBJXMDBXCVCX-MRXNPFEDSA-N 1 0 332.463 4.203 20 10 EICDRO COc1cc(C[NH2+]Cc2cccc3cc[nH]c32)c(O)c(C(C)(C)C)c1 ZINC000850270177 1053101726 /nfs/dbraw/zinc/10/17/26/1053101726.db2.gz HQAZNXZGRQUPLD-UHFFFAOYSA-N 1 0 338.451 4.469 20 10 EICDRO COc1cc(C[NH2+][C@@H]2COCc3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850327626 1053117697 /nfs/dbraw/zinc/11/76/97/1053117697.db2.gz KRWHPQLZDRUIQZ-LJQANCHMSA-N 1 0 341.451 4.059 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850370427 1053142926 /nfs/dbraw/zinc/14/29/26/1053142926.db2.gz QDFNBIZVXSMYQL-KRWDZBQOSA-N 1 0 342.508 4.186 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)CC1 ZINC000850405225 1053172452 /nfs/dbraw/zinc/17/24/52/1053172452.db2.gz KFXAXMUXSCGYEX-UHFFFAOYSA-N 1 0 346.474 4.091 20 10 EICDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000764598254 1053221996 /nfs/dbraw/zinc/22/19/96/1053221996.db2.gz FVFIVOXZAPISFL-INIZCTEOSA-N 1 0 344.886 4.070 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661615 1053238538 /nfs/dbraw/zinc/23/85/38/1053238538.db2.gz PWNHRXKYRIMSSL-FZMZJTMJSA-N 1 0 345.405 4.471 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661619 1053240218 /nfs/dbraw/zinc/24/02/18/1053240218.db2.gz PWNHRXKYRIMSSL-SMDDNHRTSA-N 1 0 345.405 4.471 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](CC(C)C)c3ccncc3)C2)cc1 ZINC000850489537 1053256250 /nfs/dbraw/zinc/25/62/50/1053256250.db2.gz YGKOCPNOKXPMIV-GHTZIAJQSA-N 1 0 339.483 4.046 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000850483572 1053256744 /nfs/dbraw/zinc/25/67/44/1053256744.db2.gz YWIRPOUXMJZSDJ-ABIUDSBCSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1O ZINC000850484900 1053256848 /nfs/dbraw/zinc/25/68/48/1053256848.db2.gz UDAJRRDWZQRPID-LSDHHAIUSA-N 1 0 330.859 4.223 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)cc1 ZINC000850489564 1053256901 /nfs/dbraw/zinc/25/69/01/1053256901.db2.gz VGCYXDAPSBGMRR-WMZOPIPTSA-N 1 0 347.462 4.173 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1O ZINC000850484897 1053257782 /nfs/dbraw/zinc/25/77/82/1053257782.db2.gz UDAJRRDWZQRPID-CABCVRRESA-N 1 0 330.859 4.223 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000850503202 1053265227 /nfs/dbraw/zinc/26/52/27/1053265227.db2.gz VCQFUBOYJRDWMZ-IXQHNQIXSA-N 1 0 348.556 4.017 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cscn2)c1O ZINC000850511373 1053270291 /nfs/dbraw/zinc/27/02/91/1053270291.db2.gz DCCNUXXVHQHKCL-NXEZZACHSA-N 1 0 341.274 4.331 20 10 EICDRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764684080 1053271026 /nfs/dbraw/zinc/27/10/26/1053271026.db2.gz NLIWVSNNXCRRFA-MRXNPFEDSA-N 1 0 334.479 4.283 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cccc(OC)c1 ZINC000850512914 1053270993 /nfs/dbraw/zinc/27/09/93/1053270993.db2.gz BWQRGKSAPRDLGF-SJKOYZFVSA-N 1 0 335.831 4.093 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000850539759 1053300607 /nfs/dbraw/zinc/30/06/07/1053300607.db2.gz GBNXMLFSKBYHOU-JCKWVBRZSA-N 1 0 347.890 4.150 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000850539222 1053301092 /nfs/dbraw/zinc/30/10/92/1053301092.db2.gz CCABCQWYWIREQR-RNCFNFMXSA-N 1 0 328.250 4.003 20 10 EICDRO CC(C)[C@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850555154 1053309603 /nfs/dbraw/zinc/30/96/03/1053309603.db2.gz MKXDSMCGDLAVCV-JTVBXEMZSA-N 1 0 343.442 4.427 20 10 EICDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850555209 1053309864 /nfs/dbraw/zinc/30/98/64/1053309864.db2.gz NKBYHGCASAKIGA-MJXNMMHHSA-N 1 0 333.859 4.454 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O ZINC000850554586 1053310536 /nfs/dbraw/zinc/31/05/36/1053310536.db2.gz COZGVQVICOPLEG-XXFAHNHDSA-N 1 0 344.213 4.222 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000764891028 1053353100 /nfs/dbraw/zinc/35/31/00/1053353100.db2.gz POQRMBJTIHTQHZ-AVRDEDQJSA-N 1 0 337.511 4.320 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1O ZINC000776498992 1053381388 /nfs/dbraw/zinc/38/13/88/1053381388.db2.gz RSPKXFZAIFOJFH-MRXNPFEDSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1ccc(C)cc1O ZINC000794798597 1053383494 /nfs/dbraw/zinc/38/34/94/1053383494.db2.gz WJIWHJDLKTUCKA-KRWDZBQOSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1O ZINC000794793387 1053388212 /nfs/dbraw/zinc/38/82/12/1053388212.db2.gz BEEURHIOASLZQU-KSSFIOAISA-N 1 0 338.451 4.387 20 10 EICDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C(C)C)c1O ZINC000764978320 1053394502 /nfs/dbraw/zinc/39/45/02/1053394502.db2.gz WHHGXSCENNHKSQ-YLJYHZDGSA-N 1 0 325.452 4.450 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803721 1053396910 /nfs/dbraw/zinc/39/69/10/1053396910.db2.gz SMOPEPSUZBLEQG-KXBFYZLASA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1O ZINC000794808356 1053402788 /nfs/dbraw/zinc/40/27/88/1053402788.db2.gz AGPXOPQINGMCIY-RHSMWYFYSA-N 1 0 345.874 4.069 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1O ZINC000794808355 1053403552 /nfs/dbraw/zinc/40/35/52/1053403552.db2.gz AGPXOPQINGMCIY-PBHICJAKSA-N 1 0 345.874 4.069 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(C)cc1O ZINC000794813048 1053420582 /nfs/dbraw/zinc/42/05/82/1053420582.db2.gz BADVTKCMJPSQGV-CQSZACIVSA-N 1 0 327.321 4.498 20 10 EICDRO CC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1O ZINC000794813990 1053422266 /nfs/dbraw/zinc/42/22/66/1053422266.db2.gz GFYKFGAOCLMJME-QGZVFWFLSA-N 1 0 337.423 4.034 20 10 EICDRO CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(C)cc1O ZINC000794816300 1053425715 /nfs/dbraw/zinc/42/57/15/1053425715.db2.gz ZJVYZRKPCOFVFQ-IBGZPJMESA-N 1 0 328.456 4.204 20 10 EICDRO CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C)cc1O ZINC000794818548 1053431480 /nfs/dbraw/zinc/43/14/80/1053431480.db2.gz UAWXMYAWJUIYTP-AZUAARDMSA-N 1 0 325.452 4.255 20 10 EICDRO CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(C)cc1O ZINC000794816866 1053432408 /nfs/dbraw/zinc/43/24/08/1053432408.db2.gz KZHIHIILOPKBSO-INIZCTEOSA-N 1 0 348.487 4.189 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1O ZINC000794820220 1053436336 /nfs/dbraw/zinc/43/63/36/1053436336.db2.gz ZFUFMIXCZDVWMP-DOTOQJQBSA-N 1 0 337.822 4.267 20 10 EICDRO Cc1cccc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000794827519 1053439681 /nfs/dbraw/zinc/43/96/81/1053439681.db2.gz JSNVTJZDCVYEMP-CYBMUJFWSA-N 1 0 349.272 4.060 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000765288178 1053494885 /nfs/dbraw/zinc/49/48/85/1053494885.db2.gz VNLSFZWHCKTIAN-HXUWFJFHSA-N 1 0 348.506 4.235 20 10 EICDRO CCCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765334469 1053507124 /nfs/dbraw/zinc/50/71/24/1053507124.db2.gz YSUURMSAWFBNQV-INIZCTEOSA-N 1 0 327.472 4.177 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865456352 1053511651 /nfs/dbraw/zinc/51/16/51/1053511651.db2.gz LYKBPPZMPDIUDQ-UHFFFAOYSA-N 1 0 347.865 4.400 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765349437 1053521328 /nfs/dbraw/zinc/52/13/28/1053521328.db2.gz MYBOHQYUJLNFBX-INIZCTEOSA-N 1 0 342.458 4.415 20 10 EICDRO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000765400927 1053533544 /nfs/dbraw/zinc/53/35/44/1053533544.db2.gz AXZMDXFGBHJLBC-LJQANCHMSA-N 1 0 349.522 4.343 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(N(C)C)cc1 ZINC000851949654 1053537543 /nfs/dbraw/zinc/53/75/43/1053537543.db2.gz HLHTXTFHELIGOW-LBPRGKRZSA-N 1 0 338.373 4.344 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(-c2ccccc2)c1 ZINC000765480178 1053561836 /nfs/dbraw/zinc/56/18/36/1053561836.db2.gz LGGORAOXZDKBHP-KRWDZBQOSA-N 1 0 346.478 4.106 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)c(O)c1 ZINC000865759055 1053585604 /nfs/dbraw/zinc/58/56/04/1053585604.db2.gz SCRDFUJLBZKBOL-KRWDZBQOSA-N 1 0 345.439 4.049 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1cccc(OC)c1OC ZINC000865759432 1053586127 /nfs/dbraw/zinc/58/61/27/1053586127.db2.gz WAGMIQOXXUMVNA-KRWDZBQOSA-N 1 0 329.440 4.267 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688420 1053594625 /nfs/dbraw/zinc/59/46/25/1053594625.db2.gz QZTFTBZSXDOREH-WIYYLYMNSA-N 1 0 338.495 4.186 20 10 EICDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196175123 1053607193 /nfs/dbraw/zinc/60/71/93/1053607193.db2.gz GCVCENGEKLPKTB-QZTJIDSGSA-N 1 0 330.516 4.312 20 10 EICDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775712493 1053648543 /nfs/dbraw/zinc/64/85/43/1053648543.db2.gz CQCHJTDYMGVYMW-AWEZNQCLSA-N 1 0 331.843 4.352 20 10 EICDRO COCCC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001196367652 1053651116 /nfs/dbraw/zinc/65/11/16/1053651116.db2.gz OJFYJYQOERVNJW-UHFFFAOYSA-N 1 0 330.516 4.234 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240509 1053657376 /nfs/dbraw/zinc/65/73/76/1053657376.db2.gz HNMFNBJNGZHANV-CXAGYDPISA-N 1 0 337.398 4.055 20 10 EICDRO CC[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754119 1053662004 /nfs/dbraw/zinc/66/20/04/1053662004.db2.gz MTSHSUAXACWXNJ-WMZOPIPTSA-N 1 0 329.440 4.193 20 10 EICDRO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccccc1O ZINC000111235483 1053666024 /nfs/dbraw/zinc/66/60/24/1053666024.db2.gz FIBLGGBPGBQBJR-UHFFFAOYSA-N 1 0 328.799 4.333 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000121039514 1053704772 /nfs/dbraw/zinc/70/47/72/1053704772.db2.gz YBWSXQBOBOZXRI-OAHLLOKOSA-N 1 0 336.426 4.203 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000866408746 1053717018 /nfs/dbraw/zinc/71/70/18/1053717018.db2.gz CWEAHRAFNQYLHQ-PXAZEXFGSA-N 1 0 337.822 4.267 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000866410134 1053720243 /nfs/dbraw/zinc/72/02/43/1053720243.db2.gz WYJVKBQUSOKVIR-SJKOYZFVSA-N 1 0 337.822 4.267 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(Cl)ccc1O ZINC000866421887 1053724608 /nfs/dbraw/zinc/72/46/08/1053724608.db2.gz DEBGRTYKNXYWDO-ZDUSSCGKSA-N 1 0 347.842 4.116 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866508987 1053759320 /nfs/dbraw/zinc/75/93/20/1053759320.db2.gz TXZWNOBIIBLWMD-CXAGYDPISA-N 1 0 345.439 4.220 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000866542093 1053778677 /nfs/dbraw/zinc/77/86/77/1053778677.db2.gz WHHWAIZWYQBNBS-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000121192471 1053817515 /nfs/dbraw/zinc/81/75/15/1053817515.db2.gz KSMLKNLFHMRMCU-IBGZPJMESA-N 1 0 338.495 4.299 20 10 EICDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765642558 1053829660 /nfs/dbraw/zinc/82/96/60/1053829660.db2.gz DKBFNOQRBCBRLG-KBXCAEBGSA-N 1 0 338.442 4.425 20 10 EICDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000765658825 1053832577 /nfs/dbraw/zinc/83/25/77/1053832577.db2.gz OVVLYXNFWLVZLC-HNNXBMFYSA-N 1 0 343.540 4.371 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001197104602 1053837630 /nfs/dbraw/zinc/83/76/30/1053837630.db2.gz ILQIPXGCUBUALG-ZWKOTPCHSA-N 1 0 346.515 4.042 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000112541428 1053838857 /nfs/dbraw/zinc/83/88/57/1053838857.db2.gz BEBCYFRKJFEDJD-CQSZACIVSA-N 1 0 346.421 4.293 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C(C)C ZINC000776765927 1053860345 /nfs/dbraw/zinc/86/03/45/1053860345.db2.gz FEJLNPAELBVAKH-NRFANRHFSA-N 1 0 343.442 4.057 20 10 EICDRO CCC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccn1 ZINC000765736450 1053897503 /nfs/dbraw/zinc/89/75/03/1053897503.db2.gz SLYSTKJCMYROBS-NRFANRHFSA-N 1 0 339.483 4.190 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1 ZINC000776806751 1053907628 /nfs/dbraw/zinc/90/76/28/1053907628.db2.gz AKGDEBZEPMTXMW-GFCCVEGCSA-N 1 0 328.437 4.251 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCCO2 ZINC000122666740 1054015341 /nfs/dbraw/zinc/01/53/41/1054015341.db2.gz FTNIWNRPLICYHT-FQEVSTJZSA-N 1 0 340.467 4.073 20 10 EICDRO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001197865133 1054019426 /nfs/dbraw/zinc/01/94/26/1054019426.db2.gz VXZSEPZXOGLTAV-KRWDZBQOSA-N 1 0 343.540 4.281 20 10 EICDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122731838 1054028138 /nfs/dbraw/zinc/02/81/38/1054028138.db2.gz PQIVLRRRBMQZOO-KRWDZBQOSA-N 1 0 348.494 4.406 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000122758861 1054031565 /nfs/dbraw/zinc/03/15/65/1054031565.db2.gz PJMOQGSGIMFESH-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)sc2c1 ZINC000775836400 1054118129 /nfs/dbraw/zinc/11/81/29/1054118129.db2.gz GOTUCKCJTKKTBE-ZDUSSCGKSA-N 1 0 341.480 4.222 20 10 EICDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834220 1054121246 /nfs/dbraw/zinc/12/12/46/1054121246.db2.gz LXFPXGYRZBGEPG-HNNXBMFYSA-N 1 0 340.467 4.205 20 10 EICDRO CC(C)[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Nc1ccccc1 ZINC001199117756 1054353176 /nfs/dbraw/zinc/35/31/76/1054353176.db2.gz FUGYEMMLKHVEBV-BVGULUMVSA-N 1 0 337.511 4.492 20 10 EICDRO CCN(CC)[C@H](C[NH2+]Cc1c(C)c2ccccc2n1C)CC(C)C ZINC001199161124 1054354755 /nfs/dbraw/zinc/35/47/55/1054354755.db2.gz GUVZWSZSYPMHQD-SFHVURJKSA-N 1 0 329.532 4.333 20 10 EICDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001199345708 1054388834 /nfs/dbraw/zinc/38/88/34/1054388834.db2.gz STWQBZHLKBWOQF-LBPRGKRZSA-N 1 0 338.829 4.405 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000872129770 1054404763 /nfs/dbraw/zinc/40/47/63/1054404763.db2.gz BVQWDUVERQLWPK-QWRGUYRKSA-N 1 0 340.345 4.226 20 10 EICDRO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132138 1054408044 /nfs/dbraw/zinc/40/80/44/1054408044.db2.gz BZZAUGPGUIMIOO-ZBFHGGJFSA-N 1 0 342.462 4.326 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090340 1054414839 /nfs/dbraw/zinc/41/48/39/1054414839.db2.gz MTPISAQSJKDQGX-NSHDSACASA-N 1 0 338.373 4.029 20 10 EICDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCCc2cccnc21 ZINC000775995225 1054435716 /nfs/dbraw/zinc/43/57/16/1054435716.db2.gz QEOUIYZYIXRPKZ-SFHVURJKSA-N 1 0 326.440 4.085 20 10 EICDRO COC(=O)/C(C)=C\C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012071 1054445118 /nfs/dbraw/zinc/44/51/18/1054445118.db2.gz XUPRCAOSUFBHGT-VZVUQDNOSA-N 1 0 339.435 4.075 20 10 EICDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012947 1054452771 /nfs/dbraw/zinc/45/27/71/1054452771.db2.gz SNOYSOACHSPEAS-LRDDRELGSA-N 1 0 348.384 4.044 20 10 EICDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000858275265 1054453478 /nfs/dbraw/zinc/45/34/78/1054453478.db2.gz DPTPFATYDADIEX-IRXDYDNUSA-N 1 0 325.408 4.095 20 10 EICDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001199732699 1054455998 /nfs/dbraw/zinc/45/59/98/1054455998.db2.gz RFCFWJQKLYAUGQ-UHFFFAOYSA-N 1 0 342.483 4.012 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000873098382 1054486442 /nfs/dbraw/zinc/48/64/42/1054486442.db2.gz PIUKYNYFWJCDAL-GYCJOSAFSA-N 1 0 345.508 4.372 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000873131813 1054490317 /nfs/dbraw/zinc/49/03/17/1054490317.db2.gz WGEDQNXFDQBBGS-FPOVZHCZSA-N 1 0 340.467 4.189 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Cl)ccc1O ZINC000858453014 1054493484 /nfs/dbraw/zinc/49/34/84/1054493484.db2.gz RMKDUNUZRYNORD-LBPRGKRZSA-N 1 0 347.768 4.039 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873186273 1054505282 /nfs/dbraw/zinc/50/52/82/1054505282.db2.gz KSQJFIQINSAKNS-NSHDSACASA-N 1 0 340.345 4.056 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858548948 1054514702 /nfs/dbraw/zinc/51/47/02/1054514702.db2.gz XRELNDZBCFCUMR-KAGYGMCKSA-N 1 0 337.463 4.223 20 10 EICDRO c1nc(-c2ccccc2)sc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001200872958 1054562886 /nfs/dbraw/zinc/56/28/86/1054562886.db2.gz XXRXANWQZMIIFO-UHFFFAOYSA-N 1 0 336.460 4.425 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3(c4ccccc4F)CC3)CC2)cc1 ZINC000777064357 1054582456 /nfs/dbraw/zinc/58/24/56/1054582456.db2.gz OPWGNBXXKUMTII-UHFFFAOYSA-N 1 0 340.442 4.082 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000124625841 1054584773 /nfs/dbraw/zinc/58/47/73/1054584773.db2.gz IKBTYCKFJXIQLH-INIZCTEOSA-N 1 0 342.458 4.196 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001201408007 1054779033 /nfs/dbraw/zinc/77/90/33/1054779033.db2.gz PBJFBNWQQBGYLN-UHFFFAOYSA-N 1 0 346.421 4.486 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001201424897 1054797228 /nfs/dbraw/zinc/79/72/28/1054797228.db2.gz HZHWAYVTEQQWSQ-UHFFFAOYSA-N 1 0 347.846 4.384 20 10 EICDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001201618787 1054866908 /nfs/dbraw/zinc/86/69/08/1054866908.db2.gz VPZYARLLHLCQIL-VQTJNVASSA-N 1 0 330.516 4.360 20 10 EICDRO Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876630905 1054942226 /nfs/dbraw/zinc/94/22/26/1054942226.db2.gz NJBSDOKHAFLKPR-VXGBXAGGSA-N 1 0 341.295 4.263 20 10 EICDRO O=c1[nH]ccc2oc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cc21 ZINC000876721563 1054949590 /nfs/dbraw/zinc/94/95/90/1054949590.db2.gz JLJKHPVGMGUEDI-UHFFFAOYSA-N 1 0 338.407 4.184 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000776231650 1054976667 /nfs/dbraw/zinc/97/66/67/1054976667.db2.gz LGRMIIORLLMYCT-UHFFFAOYSA-N 1 0 330.840 4.459 20 10 EICDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876939220 1054986602 /nfs/dbraw/zinc/98/66/02/1054986602.db2.gz UOSNEEVPMBELIA-OAHLLOKOSA-N 1 0 329.440 4.349 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)ccc21 ZINC000876986874 1054992509 /nfs/dbraw/zinc/99/25/09/1054992509.db2.gz MXYIKHURQOATTH-UHFFFAOYSA-N 1 0 341.842 4.153 20 10 EICDRO Clc1nccc2oc(C[NH2+]CCCSc3nccs3)cc21 ZINC000877061453 1055009570 /nfs/dbraw/zinc/00/95/70/1055009570.db2.gz IBNZQHOWECWWLA-UHFFFAOYSA-N 1 0 339.873 4.210 20 10 EICDRO CC1(C)CC(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001202032159 1055011956 /nfs/dbraw/zinc/01/19/56/1055011956.db2.gz XCJSNIQAUDHQOY-UHFFFAOYSA-N 1 0 331.460 4.111 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000877159012 1055029429 /nfs/dbraw/zinc/02/94/29/1055029429.db2.gz QOAPTJTVOKPATR-UHFFFAOYSA-N 1 0 338.476 4.232 20 10 EICDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234115 1055035257 /nfs/dbraw/zinc/03/52/57/1055035257.db2.gz HHHZPKWBHNCZTC-SFHVURJKSA-N 1 0 338.451 4.211 20 10 EICDRO Cc1ccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c(O)c1 ZINC000877507264 1055068289 /nfs/dbraw/zinc/06/82/89/1055068289.db2.gz CGUMZGABXZHEGD-KRWDZBQOSA-N 1 0 347.256 4.099 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(O)c1 ZINC000877507265 1055069273 /nfs/dbraw/zinc/06/92/73/1055069273.db2.gz CGUMZGABXZHEGD-QGZVFWFLSA-N 1 0 347.256 4.099 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000825987291 1055099823 /nfs/dbraw/zinc/09/98/23/1055099823.db2.gz SRPLGLNTUPPXLW-PIGZYNQJSA-N 1 0 337.872 4.208 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000825987118 1055099913 /nfs/dbraw/zinc/09/99/13/1055099913.db2.gz SRPLGLNTUPPXLW-DIFFPNOSSA-N 1 0 337.872 4.208 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1O ZINC000877683868 1055106753 /nfs/dbraw/zinc/10/67/53/1055106753.db2.gz LIDSJFYOIZVVHB-UHFFFAOYSA-N 1 0 341.879 4.270 20 10 EICDRO COc1sc(C[NH2+][C@@H](C)c2ccccc2O)cc1Br ZINC000877757036 1055114478 /nfs/dbraw/zinc/11/44/78/1055114478.db2.gz BIPUFGATBWRWPF-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000877757414 1055115143 /nfs/dbraw/zinc/11/51/43/1055115143.db2.gz ZLBDMYRQOPJHAT-CABCVRRESA-N 1 0 329.440 4.429 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)c(O)c(C(C)(C)C)c1 ZINC000877755641 1055115218 /nfs/dbraw/zinc/11/52/18/1055115218.db2.gz JJNFWIJMWUAYDH-CYBMUJFWSA-N 1 0 329.440 4.255 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(OC)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850020104 1055323747 /nfs/dbraw/zinc/32/37/47/1055323747.db2.gz GAGSLUCIKSTKFG-UHFFFAOYSA-N 1 0 347.430 4.136 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3ccncc3s2)cc1 ZINC000850035325 1055326257 /nfs/dbraw/zinc/32/62/57/1055326257.db2.gz YWJJWOWAGPTMNM-UHFFFAOYSA-N 1 0 325.481 4.432 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2O ZINC000765819718 1055644429 /nfs/dbraw/zinc/64/44/29/1055644429.db2.gz WNNGFLAMBKPJJP-KOXAJKMWSA-N 1 0 349.833 4.230 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c(O)c1C ZINC000903404783 1055710463 /nfs/dbraw/zinc/71/04/63/1055710463.db2.gz LZFJPQNDXWJDFD-HOTGVXAUSA-N 1 0 327.472 4.417 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875246 1056039624 /nfs/dbraw/zinc/03/96/24/1056039624.db2.gz YRDKJZGUSKONEY-WIYYLYMNSA-N 1 0 341.543 4.202 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000741256484 1058183848 /nfs/dbraw/zinc/18/38/48/1058183848.db2.gz NQRZMRGQGMGJQU-AQNXPRMDSA-N 1 0 330.516 4.216 20 10 EICDRO CC1CCC([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000742367224 1058576576 /nfs/dbraw/zinc/57/65/76/1058576576.db2.gz LEIGGNFYFLPPAG-LPMVOBIJSA-N 1 0 334.479 4.108 20 10 EICDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1 ZINC000742388117 1058588681 /nfs/dbraw/zinc/58/86/81/1058588681.db2.gz LBQPXFYUYZEHAH-SFHVURJKSA-N 1 0 336.838 4.022 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1ccccc1F ZINC000742381115 1058604844 /nfs/dbraw/zinc/60/48/44/1058604844.db2.gz PCAUWBOGHPXWDM-KRWDZBQOSA-N 1 0 342.458 4.373 20 10 EICDRO Clc1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(c3)CCO4)c2c1 ZINC000742378790 1058604982 /nfs/dbraw/zinc/60/49/82/1058604982.db2.gz BDEDUAIRYQMGFU-UHFFFAOYSA-N 1 0 326.827 4.089 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000743474283 1059021230 /nfs/dbraw/zinc/02/12/30/1059021230.db2.gz RZYPIHWIUNRWBD-JKSUJKDBSA-N 1 0 328.431 4.074 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000379641500 1059710517 /nfs/dbraw/zinc/71/05/17/1059710517.db2.gz DABPEDHBYNHZSV-LSTHTHJFSA-N 1 0 336.479 4.022 20 10 EICDRO C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000766516378 1060477709 /nfs/dbraw/zinc/47/77/09/1060477709.db2.gz XBNANDKAWVJPGP-SFHVURJKSA-N 1 0 338.499 4.225 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC001169506697 1060838047 /nfs/dbraw/zinc/83/80/47/1060838047.db2.gz CJTQSEADEJWJSI-QFIPXVFZSA-N 1 0 336.479 4.083 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)cc2)CC1 ZINC001169556517 1060856360 /nfs/dbraw/zinc/85/63/60/1060856360.db2.gz TYGVMSLPDUBHJN-XGHQBKJUSA-N 1 0 330.516 4.216 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753910 1060940963 /nfs/dbraw/zinc/94/09/63/1060940963.db2.gz DEEOVMGUYGZYSR-GDBMZVCRSA-N 1 0 331.378 4.104 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1Br ZINC000037105858 525325840 /nfs/dbraw/zinc/32/58/40/525325840.db2.gz CCHKYKUUKGWSDZ-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000729685457 1032159365 /nfs/dbraw/zinc/15/93/65/1032159365.db2.gz BVFGHYATSMUIOX-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO COCCOCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841752831 1032353126 /nfs/dbraw/zinc/35/31/26/1032353126.db2.gz CLPHIKQHWHVJRP-AWEZNQCLSA-N 1 0 349.858 4.059 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000529568549 1032460475 /nfs/dbraw/zinc/46/04/75/1032460475.db2.gz BNDZREMBTXIUJI-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000529644966 1032492279 /nfs/dbraw/zinc/49/22/79/1032492279.db2.gz RNIHEPZJUNOGPE-KRWDZBQOSA-N 1 0 332.831 4.080 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000120414603 1019528826 /nfs/dbraw/zinc/52/88/26/1019528826.db2.gz WUHQQKQSCANAIY-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1 ZINC000275093352 1020134215 /nfs/dbraw/zinc/13/42/15/1020134215.db2.gz ALMYRDBIALVDAK-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000693132467 1020978709 /nfs/dbraw/zinc/97/87/09/1020978709.db2.gz PRECRPXJGODYSM-FZMZJTMJSA-N 1 0 342.277 4.011 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728286333 1021726297 /nfs/dbraw/zinc/72/62/97/1021726297.db2.gz SZKFPLAQKIGITQ-SFHVURJKSA-N 1 0 348.402 4.006 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000177975262 1021835818 /nfs/dbraw/zinc/83/58/18/1021835818.db2.gz LYKWMRBRLBSVKZ-MRXNPFEDSA-N 1 0 341.474 4.343 20 10 EICDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000178140919 1022023349 /nfs/dbraw/zinc/02/33/49/1022023349.db2.gz BGUMLMXRZLXVKT-MRXNPFEDSA-N 1 0 340.515 4.348 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000728302826 1022311070 /nfs/dbraw/zinc/31/10/70/1022311070.db2.gz YLYHTSSFKHXKAW-OAQYLSRUSA-N 1 0 330.516 4.362 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c(O)c1OC ZINC000892603503 1022450901 /nfs/dbraw/zinc/45/09/01/1022450901.db2.gz OOYRFGNJJMYLNV-AWEZNQCLSA-N 1 0 345.439 4.047 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1O ZINC000155839096 1022517119 /nfs/dbraw/zinc/51/71/19/1022517119.db2.gz GTNZANAZAMEABR-MLGOLLRUSA-N 1 0 333.403 4.350 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(Br)ccc1O ZINC000312097731 1022640037 /nfs/dbraw/zinc/64/00/37/1022640037.db2.gz SGVDHWIKJPKXDG-JQWIXIFHSA-N 1 0 334.204 4.383 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c1O ZINC000182633951 1022819595 /nfs/dbraw/zinc/81/95/95/1022819595.db2.gz QOJJPBWUSQIJDA-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000183200572 1022851564 /nfs/dbraw/zinc/85/15/64/1022851564.db2.gz LBGIUIPMFSMADF-INIZCTEOSA-N 1 0 334.467 4.098 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188265870 1023174482 /nfs/dbraw/zinc/17/44/82/1023174482.db2.gz QOILCGUQJOXCGG-NRFANRHFSA-N 1 0 328.500 4.068 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000178267588 1023243896 /nfs/dbraw/zinc/24/38/96/1023243896.db2.gz SFBREEVHWOEIQV-DNVCBOLYSA-N 1 0 340.467 4.326 20 10 EICDRO C[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1cc(O)ccc1O ZINC001141163188 1023245885 /nfs/dbraw/zinc/24/58/85/1023245885.db2.gz UKWHFLCQNIFUCH-NSHDSACASA-N 1 0 336.229 4.053 20 10 EICDRO CC[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000156273445 1023365286 /nfs/dbraw/zinc/36/52/86/1023365286.db2.gz XTFNULMFDKFRJI-HXUWFJFHSA-N 1 0 349.478 4.462 20 10 EICDRO CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892914748 1023498168 /nfs/dbraw/zinc/49/81/68/1023498168.db2.gz WWPVQVFZWQODDW-CYBMUJFWSA-N 1 0 347.480 4.372 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccccc1O ZINC000156329446 1023526750 /nfs/dbraw/zinc/52/67/50/1023526750.db2.gz FLRZKESLQNSVMX-OAHLLOKOSA-N 1 0 337.366 4.243 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1O ZINC000156345419 1023580381 /nfs/dbraw/zinc/58/03/81/1023580381.db2.gz NBVUNGDCINQORV-MJGOQNOKSA-N 1 0 341.451 4.109 20 10 EICDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397899641 1023584768 /nfs/dbraw/zinc/58/47/68/1023584768.db2.gz AWWGIHQAJDXZTQ-HUUCEWRRSA-N 1 0 348.487 4.143 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000377717558 1023709026 /nfs/dbraw/zinc/70/90/26/1023709026.db2.gz HVUWOUJYAQAQGS-LJQANCHMSA-N 1 0 343.442 4.052 20 10 EICDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860063 1023746231 /nfs/dbraw/zinc/74/62/31/1023746231.db2.gz XGTXNMYWYRRYQG-GOSISDBHSA-N 1 0 337.822 4.130 20 10 EICDRO CCO[C@@H](CC[NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756627304 1023823052 /nfs/dbraw/zinc/82/30/52/1023823052.db2.gz HAPOJPNTDYPNJC-WBMJQRKESA-N 1 0 344.293 4.257 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326388516 1023823292 /nfs/dbraw/zinc/82/32/92/1023823292.db2.gz NSQQWUFPVZVYIJ-UHFFFAOYSA-N 1 0 327.428 4.039 20 10 EICDRO CCOCC(C)(C)C[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000313595674 1024059089 /nfs/dbraw/zinc/05/90/89/1024059089.db2.gz AAVNFWZZMIREML-CQSZACIVSA-N 1 0 344.293 4.258 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000178503950 1025329914 /nfs/dbraw/zinc/32/99/14/1025329914.db2.gz COSCOLZWSDKPIY-QFIPXVFZSA-N 1 0 348.494 4.238 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000156834322 1025666541 /nfs/dbraw/zinc/66/65/41/1025666541.db2.gz HCJBCHLSPRMISP-RTBURBONSA-N 1 0 327.468 4.235 20 10 EICDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000119704110 1025875235 /nfs/dbraw/zinc/87/52/35/1025875235.db2.gz PASOSEHKCTZXAP-SFHVURJKSA-N 1 0 341.543 4.344 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C)cc1O ZINC000375659462 1025897504 /nfs/dbraw/zinc/89/75/04/1025897504.db2.gz WNAFVRVPRSPLHD-FQEVSTJZSA-N 1 0 335.451 4.342 20 10 EICDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c(O)c1OC ZINC000894517636 1026121304 /nfs/dbraw/zinc/12/13/04/1026121304.db2.gz NCXHZRZLFDCWCO-QGZVFWFLSA-N 1 0 333.453 4.054 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(C)n1)c1cc(Br)ccc1O ZINC000051574172 1026418380 /nfs/dbraw/zinc/41/83/80/1026418380.db2.gz IYJLXMQUPJXYOU-HNNXBMFYSA-N 1 0 335.245 4.099 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000318935276 1026532104 /nfs/dbraw/zinc/53/21/04/1026532104.db2.gz XXPWRCLLTMKCCX-GFCCVEGCSA-N 1 0 337.769 4.217 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCC[C@H](C)C3)CC2)cc1F ZINC001168069353 1027541669 /nfs/dbraw/zinc/54/16/69/1027541669.db2.gz VETHRVHSLJAHFX-IRXDYDNUSA-N 1 0 334.479 4.173 20 10 EICDRO c1csc(SCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000925102191 1027698863 /nfs/dbraw/zinc/69/88/63/1027698863.db2.gz MBMNTZFCXPYJQF-GDBMZVCRSA-N 1 0 333.526 4.021 20 10 EICDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708176806 1027834040 /nfs/dbraw/zinc/83/40/40/1027834040.db2.gz HORJUTFSEQXOBN-LURJTMIESA-N 1 0 346.574 4.239 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000327320039 1027858962 /nfs/dbraw/zinc/85/89/62/1027858962.db2.gz UPNFLFVZVBQNTA-UZLBHIALSA-N 1 0 342.483 4.135 20 10 EICDRO CCC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccccc1O ZINC000161530157 1027996085 /nfs/dbraw/zinc/99/60/85/1027996085.db2.gz NSKHINJHCUOGGV-UHFFFAOYSA-N 1 0 341.411 4.064 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)nc1C ZINC000840785450 1029281094 /nfs/dbraw/zinc/28/10/94/1029281094.db2.gz ZEVGLGGNXOCSFE-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000475189840 1029359726 /nfs/dbraw/zinc/35/97/26/1029359726.db2.gz ICVMFMDZRTZDPX-INIZCTEOSA-N 1 0 349.478 4.302 20 10 EICDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(Br)ccc1O ZINC000840877051 1029781558 /nfs/dbraw/zinc/78/15/58/1029781558.db2.gz SHGLKYZYAXXNEU-NSHDSACASA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1O ZINC000373447425 1030191481 /nfs/dbraw/zinc/19/14/81/1030191481.db2.gz DEEMGQOMURYOCM-WBMJQRKESA-N 1 0 341.386 4.383 20 10 EICDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185676114 1030215087 /nfs/dbraw/zinc/21/50/87/1030215087.db2.gz SLXUHVBPFLQPEW-KBPBESRZSA-N 1 0 339.414 4.437 20 10 EICDRO Oc1ccc2ccccc2c1CNCc1ncc(-c2ccccc2)cn1 ZINC000185871044 1030233131 /nfs/dbraw/zinc/23/31/31/1030233131.db2.gz MOHDPJCGRSTJBV-UHFFFAOYSA-N 1 0 341.414 4.292 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626030 1030291968 /nfs/dbraw/zinc/29/19/68/1030291968.db2.gz CIXUNYUCYXSAQJ-QUCCMNQESA-N 1 0 339.414 4.095 20 10 EICDRO CCOc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c(O)c1 ZINC000527745364 1030840825 /nfs/dbraw/zinc/84/08/25/1030840825.db2.gz OYQDZGICSXESRA-UHFFFAOYSA-N 1 0 342.464 4.426 20 10 EICDRO Cn1cncc1C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000177064262 1031075375 /nfs/dbraw/zinc/07/53/75/1031075375.db2.gz LSUVGZNYNWUFJN-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000179902007 1031585005 /nfs/dbraw/zinc/58/50/05/1031585005.db2.gz ZTAFPDQQAJRLFR-HWPZZCPQSA-N 1 0 326.223 4.083 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000236926059 1033429229 /nfs/dbraw/zinc/42/92/29/1033429229.db2.gz QAUZGNOLWRMEJZ-UHFFFAOYSA-N 1 0 345.418 4.178 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C(C)C)cc1 ZINC000894156377 1034392887 /nfs/dbraw/zinc/39/28/87/1034392887.db2.gz HRAFIBQDEZZSRN-LJQANCHMSA-N 1 0 329.440 4.205 20 10 EICDRO CCc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797619 1034747721 /nfs/dbraw/zinc/74/77/21/1034747721.db2.gz BTEZPMDUZITZSZ-IRXDYDNUSA-N 1 0 331.500 4.111 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2C(F)(F)F)c1O ZINC000894208862 1034766496 /nfs/dbraw/zinc/76/64/96/1034766496.db2.gz MGOOZEMMFDZQEK-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C)cc1O ZINC000280072068 1035154560 /nfs/dbraw/zinc/15/45/60/1035154560.db2.gz LCJRSNUARUAPOH-FQEVSTJZSA-N 1 0 335.451 4.186 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1O ZINC000280182483 1035197117 /nfs/dbraw/zinc/19/71/17/1035197117.db2.gz RSDRYKVIYCNANA-RDJZCZTQSA-N 1 0 335.513 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1O ZINC000280182478 1035197564 /nfs/dbraw/zinc/19/75/64/1035197564.db2.gz RSDRYKVIYCNANA-NVXWUHKLSA-N 1 0 335.513 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1O ZINC000280182471 1035197827 /nfs/dbraw/zinc/19/78/27/1035197827.db2.gz RSDRYKVIYCNANA-DOTOQJQBSA-N 1 0 335.513 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1O ZINC000280227336 1035205801 /nfs/dbraw/zinc/20/58/01/1035205801.db2.gz VEDMQYQBKOFDCC-KBXCAEBGSA-N 1 0 338.451 4.021 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1O ZINC000280229055 1035207038 /nfs/dbraw/zinc/20/70/38/1035207038.db2.gz VEDMQYQBKOFDCC-RDTXWAMCSA-N 1 0 338.451 4.021 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000015571569 1035337727 /nfs/dbraw/zinc/33/77/27/1035337727.db2.gz JUGZZIYNLFBAJT-UHFFFAOYSA-N 1 0 339.439 4.217 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cn(C)cn1 ZINC000924855790 1035621925 /nfs/dbraw/zinc/62/19/25/1035621925.db2.gz SEUQCSJACIWGAE-INIZCTEOSA-N 1 0 326.488 4.040 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000227435688 1035798573 /nfs/dbraw/zinc/79/85/73/1035798573.db2.gz DVRPCHGFMPAYDG-KRWDZBQOSA-N 1 0 332.241 4.396 20 10 EICDRO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c1O ZINC000164226559 1035999384 /nfs/dbraw/zinc/99/93/84/1035999384.db2.gz GFBBYXKCTUCELD-UHFFFAOYSA-N 1 0 347.480 4.072 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1C ZINC000761194716 1036003967 /nfs/dbraw/zinc/00/39/67/1036003967.db2.gz GDDIGEDMNAIXKJ-UHFFFAOYSA-N 1 0 335.831 4.003 20 10 EICDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(OC)c1O ZINC000761190560 1036006859 /nfs/dbraw/zinc/00/68/59/1036006859.db2.gz CYBUETGPGSDPMA-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC000761200502 1036032075 /nfs/dbraw/zinc/03/20/75/1036032075.db2.gz UTYHZLKMLVGLTI-LBPRGKRZSA-N 1 0 335.806 4.183 20 10 EICDRO CCc1ccc([C@H](COC)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263945 1036741518 /nfs/dbraw/zinc/74/15/18/1036741518.db2.gz WGJAWWRLJAJGIW-MOPGFXCFSA-N 1 0 330.472 4.336 20 10 EICDRO CCc1ccc([C@H](COC)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263714 1036742294 /nfs/dbraw/zinc/74/22/94/1036742294.db2.gz WGJAWWRLJAJGIW-OALUTQOASA-N 1 0 330.472 4.336 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N2CCCCC2)cc1 ZINC000165702703 1036904965 /nfs/dbraw/zinc/90/49/65/1036904965.db2.gz WBXGUORNEBBXIY-YJBOKZPZSA-N 1 0 336.570 4.176 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165896273 1037024880 /nfs/dbraw/zinc/02/48/80/1037024880.db2.gz BTRGHHUHBQZMBM-IRXDYDNUSA-N 1 0 342.458 4.383 20 10 EICDRO c1csc(SCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166644018 1037365775 /nfs/dbraw/zinc/36/57/75/1037365775.db2.gz JHSOSBRZLJYARC-WBVHZDCISA-N 1 0 348.537 4.383 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273377371 1037438704 /nfs/dbraw/zinc/43/87/04/1037438704.db2.gz GDTOXGNSNBJNCH-QUCCMNQESA-N 1 0 329.415 4.192 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273382155 1037447791 /nfs/dbraw/zinc/44/77/91/1037447791.db2.gz IMVLLRNWCZVJDB-GJZGRUSLSA-N 1 0 329.440 4.438 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(O)c1C ZINC000273415734 1037459733 /nfs/dbraw/zinc/45/97/33/1037459733.db2.gz QTRGDILGDUREBT-GJZGRUSLSA-N 1 0 327.424 4.192 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)c(O)c1C ZINC000273417010 1037460209 /nfs/dbraw/zinc/46/02/09/1037460209.db2.gz QZUDIFANIRWSKZ-KRWDZBQOSA-N 1 0 335.451 4.105 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000273457723 1037471217 /nfs/dbraw/zinc/47/12/17/1037471217.db2.gz GZZXIAXFSIMJHB-AZUAARDMSA-N 1 0 329.415 4.153 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1nnc2n1CCCCC2 ZINC000273579604 1037513119 /nfs/dbraw/zinc/51/31/19/1037513119.db2.gz MJNGSDKRLPQLBU-RDJZCZTQSA-N 1 0 342.487 4.129 20 10 EICDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273621352 1037527955 /nfs/dbraw/zinc/52/79/55/1037527955.db2.gz ZCPGJAQUSNWPEI-MGPUTAFESA-N 1 0 325.452 4.045 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)c(O)c1C ZINC000760910007 1037658475 /nfs/dbraw/zinc/65/84/75/1037658475.db2.gz UPHZIXMTXGVVJS-BWDFOLQRSA-N 1 0 339.479 4.490 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1O ZINC000192910915 1039909360 /nfs/dbraw/zinc/90/93/60/1039909360.db2.gz OLRVFZSRPBYKLN-AWEZNQCLSA-N 1 0 335.403 4.167 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000479451082 1040358350 /nfs/dbraw/zinc/35/83/50/1040358350.db2.gz HIZIGYFPWVZDJX-DLBZAZTESA-N 1 0 336.483 4.036 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924646354 1040858683 /nfs/dbraw/zinc/85/86/83/1040858683.db2.gz BDMFPYVSHWSHLU-QGZVFWFLSA-N 1 0 338.495 4.365 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(OC)c(OC)c1 ZINC000287692621 1041488904 /nfs/dbraw/zinc/48/89/04/1041488904.db2.gz WUHSAZKIZNANIY-SUMWQHHRSA-N 1 0 345.439 4.220 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c(O)c1C ZINC000366684852 1042046868 /nfs/dbraw/zinc/04/68/68/1042046868.db2.gz XEQFRUSPUMBANH-INIZCTEOSA-N 1 0 344.524 4.386 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000152225918 1042721553 /nfs/dbraw/zinc/72/15/53/1042721553.db2.gz MFAFUKVYXGWCEI-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000895137560 1043275744 /nfs/dbraw/zinc/27/57/44/1043275744.db2.gz NJBGYOCRULNQAN-MRXNPFEDSA-N 1 0 345.414 4.240 20 10 EICDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000766054412 1043310325 /nfs/dbraw/zinc/31/03/25/1043310325.db2.gz VQEQFQQSAHBZPB-CQSZACIVSA-N 1 0 325.431 4.266 20 10 EICDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1O ZINC000727831398 1043312795 /nfs/dbraw/zinc/31/27/95/1043312795.db2.gz ZAGSQBWMTHHBMF-UHFFFAOYSA-N 1 0 346.858 4.205 20 10 EICDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727839122 1043314904 /nfs/dbraw/zinc/31/49/04/1043314904.db2.gz ZJOMPMLTIFYTTO-PKOBYXMFSA-N 1 0 334.479 4.111 20 10 EICDRO CCN(C)c1ccccc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000730109003 1043451667 /nfs/dbraw/zinc/45/16/67/1043451667.db2.gz ZPISOVNLBIVSFE-UHFFFAOYSA-N 1 0 325.500 4.279 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765970799 1043557388 /nfs/dbraw/zinc/55/73/88/1043557388.db2.gz RBKNPUHFFDVQGW-UONOGXRCSA-N 1 0 338.455 4.136 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1O ZINC000731451031 1043762013 /nfs/dbraw/zinc/76/20/13/1043762013.db2.gz CGQGRNXQEDUVPR-UHFFFAOYSA-N 1 0 341.451 4.402 20 10 EICDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153143485 1043880943 /nfs/dbraw/zinc/88/09/43/1043880943.db2.gz CZUMEMJQVAFPDA-UWJYYQICSA-N 1 0 336.479 4.170 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204979 1043887208 /nfs/dbraw/zinc/88/72/08/1043887208.db2.gz WRVHAHFEHBUZPV-HXUWFJFHSA-N 1 0 329.415 4.010 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000702878788 1044026041 /nfs/dbraw/zinc/02/60/41/1044026041.db2.gz SMZJYOZLAKIPTM-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766190292 1044122988 /nfs/dbraw/zinc/12/29/88/1044122988.db2.gz DTMYDWSEIFMOEB-PBWTXFEYSA-N 1 0 346.490 4.282 20 10 EICDRO CN(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1Cl ZINC000733323365 1044190507 /nfs/dbraw/zinc/19/05/07/1044190507.db2.gz WPQWDDNHULOEPC-INIZCTEOSA-N 1 0 339.266 4.092 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000733324669 1044191294 /nfs/dbraw/zinc/19/12/94/1044191294.db2.gz RSDJWXFAQRJOHA-INIZCTEOSA-N 1 0 338.904 4.280 20 10 EICDRO Cc1ccccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000733334622 1044198571 /nfs/dbraw/zinc/19/85/71/1044198571.db2.gz MZSLXQQURFVAAN-IBGZPJMESA-N 1 0 344.886 4.108 20 10 EICDRO Oc1ccc2ccncc2c1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000733789497 1044312072 /nfs/dbraw/zinc/31/20/72/1044312072.db2.gz UNXPMBMQKBQCCW-UHFFFAOYSA-N 1 0 336.410 4.287 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c(O)c1OC ZINC000895301746 1044562268 /nfs/dbraw/zinc/56/22/68/1044562268.db2.gz LAWAATKHYPICCW-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000494982811 1044570914 /nfs/dbraw/zinc/57/09/14/1044570914.db2.gz ACPDBPHUCXPCSJ-MRXNPFEDSA-N 1 0 349.478 4.039 20 10 EICDRO Fc1cccc(F)c1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000734508749 1044590639 /nfs/dbraw/zinc/59/06/39/1044590639.db2.gz BCXJNBDJYXJODM-UHFFFAOYSA-N 1 0 341.357 4.450 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c(O)c1OC ZINC000895380158 1044698610 /nfs/dbraw/zinc/69/86/10/1044698610.db2.gz ZTJQJSOEKGBNKY-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO Cc1ccc(OC2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1 ZINC000735071085 1044735542 /nfs/dbraw/zinc/73/55/42/1044735542.db2.gz GHIYBPAAZDKMNH-UHFFFAOYSA-N 1 0 348.446 4.292 20 10 EICDRO Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000735071921 1044739268 /nfs/dbraw/zinc/73/92/68/1044739268.db2.gz OSEIAQOGSSIBGM-UHFFFAOYSA-N 1 0 337.463 4.233 20 10 EICDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)c1 ZINC000735484815 1044825823 /nfs/dbraw/zinc/82/58/23/1044825823.db2.gz IFLIDLCPGPHWRZ-OAQYLSRUSA-N 1 0 347.462 4.344 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735677172 1044852940 /nfs/dbraw/zinc/85/29/40/1044852940.db2.gz NEPXMBOQSXXWGG-HNNXBMFYSA-N 1 0 346.641 4.176 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000735677981 1044855071 /nfs/dbraw/zinc/85/50/71/1044855071.db2.gz TXEPHTMDNDLPEC-QUCCMNQESA-N 1 0 332.532 4.464 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1)CCC2 ZINC000738070327 1045031356 /nfs/dbraw/zinc/03/13/56/1045031356.db2.gz PLCCCYLANNORDO-LJQANCHMSA-N 1 0 325.477 4.171 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CCO2 ZINC000186692504 1045132655 /nfs/dbraw/zinc/13/26/55/1045132655.db2.gz FVSFVCBOSTVZSV-KDOFPFPSSA-N 1 0 327.424 4.274 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000915229502 1045201821 /nfs/dbraw/zinc/20/18/21/1045201821.db2.gz FWQFDTSEXOYGMZ-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO COc1cccc(C[NH2+]CCCCc2ccc(Cl)s2)c1O ZINC000790602339 1045542043 /nfs/dbraw/zinc/54/20/43/1045542043.db2.gz UMBRYLOLEBAXMI-UHFFFAOYSA-N 1 0 325.861 4.228 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000790636962 1045548015 /nfs/dbraw/zinc/54/80/15/1045548015.db2.gz CHGNQFXLIFVYRA-UHFFFAOYSA-N 1 0 340.515 4.136 20 10 EICDRO Cc1c(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cccc1[N+](=O)[O-] ZINC000790696110 1045559002 /nfs/dbraw/zinc/55/90/02/1045559002.db2.gz RLPXITACCRPTNA-HZMBPMFUSA-N 1 0 330.359 4.086 20 10 EICDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1C[C@@H](C)c3c1c(O)ccc3F)CC2 ZINC000790697149 1045560999 /nfs/dbraw/zinc/56/09/99/1045560999.db2.gz KAQVFWDOWKEXRT-XPKDYRNWSA-N 1 0 343.446 4.004 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000768097845 1045709868 /nfs/dbraw/zinc/70/98/68/1045709868.db2.gz FIAHAIWOJLUKSK-LJQANCHMSA-N 1 0 342.458 4.458 20 10 EICDRO C[N@H+](Cc1ccsc1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768204074 1045743724 /nfs/dbraw/zinc/74/37/24/1045743724.db2.gz QMEUXYWWOPBLPH-UHFFFAOYSA-N 1 0 345.468 4.279 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000768208428 1045744289 /nfs/dbraw/zinc/74/42/89/1045744289.db2.gz OXNLVYPIIHUZMH-UHFFFAOYSA-N 1 0 339.483 4.123 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227781 1045758379 /nfs/dbraw/zinc/75/83/79/1045758379.db2.gz IUTLAQZATDQKPW-IBGZPJMESA-N 1 0 340.467 4.107 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cncc3ccccc32)C2CC2)cc1 ZINC000768258122 1045768587 /nfs/dbraw/zinc/76/85/87/1045768587.db2.gz PHMULOAKKCXTIR-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO COc1cccc(O)c1C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000768258675 1045768798 /nfs/dbraw/zinc/76/87/98/1045768798.db2.gz VIVJIIAIIKTKCH-XJKSGUPXSA-N 1 0 327.424 4.282 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000768293108 1045780497 /nfs/dbraw/zinc/78/04/97/1045780497.db2.gz LLISQQGBKSXIMO-LVXYXVKQSA-N 1 0 329.484 4.127 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)c1O ZINC000768337902 1045791665 /nfs/dbraw/zinc/79/16/65/1045791665.db2.gz JBPUDEBUKFSMOJ-LJQANCHMSA-N 1 0 341.451 4.309 20 10 EICDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(OC)c(OC)cc1O ZINC000768440006 1045807753 /nfs/dbraw/zinc/80/77/53/1045807753.db2.gz QUHOSEFRSOEIBS-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1OC ZINC000768453580 1045808895 /nfs/dbraw/zinc/80/88/95/1045808895.db2.gz ZAQAGQAOHYBLLI-QGZVFWFLSA-N 1 0 341.451 4.179 20 10 EICDRO CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000768463461 1045810625 /nfs/dbraw/zinc/81/06/25/1045810625.db2.gz UIDUOOXTZUHCFT-UHFFFAOYSA-N 1 0 330.497 4.181 20 10 EICDRO CCOc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC000768529987 1045816010 /nfs/dbraw/zinc/81/60/10/1045816010.db2.gz AXDYNRJRBKJKOI-LJQANCHMSA-N 1 0 347.842 4.018 20 10 EICDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)Cc1ccccc1O ZINC000768872790 1045851395 /nfs/dbraw/zinc/85/13/95/1045851395.db2.gz IQSYFSKAZUHKTQ-UHFFFAOYSA-N 1 0 341.842 4.172 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(OC)c2)c1O ZINC000768937522 1045862896 /nfs/dbraw/zinc/86/28/96/1045862896.db2.gz ULLYSMYYLQRHGP-SFHVURJKSA-N 1 0 341.451 4.007 20 10 EICDRO CCN(C)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000792162074 1045863774 /nfs/dbraw/zinc/86/37/74/1045863774.db2.gz BJHNQLXKYALZDU-UHFFFAOYSA-N 1 0 340.515 4.014 20 10 EICDRO CCCN(CCC)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000769189836 1045883356 /nfs/dbraw/zinc/88/33/56/1045883356.db2.gz SAIOPVPTYNOYRE-UHFFFAOYSA-N 1 0 340.515 4.416 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)c1O ZINC000769189853 1045884260 /nfs/dbraw/zinc/88/42/60/1045884260.db2.gz SJWMDLMJQHTCJK-GOSISDBHSA-N 1 0 341.451 4.007 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000248926569 1045889866 /nfs/dbraw/zinc/88/98/66/1045889866.db2.gz XHMDPXQQUUONEG-LDQXTDLNSA-N 1 0 328.500 4.285 20 10 EICDRO CCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1O ZINC000769201003 1045894156 /nfs/dbraw/zinc/89/41/56/1045894156.db2.gz NOBSLKVFBGGPSW-UHFFFAOYSA-N 1 0 329.488 4.373 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769245415 1045899572 /nfs/dbraw/zinc/89/95/72/1045899572.db2.gz RJICKKCUSYESAJ-HKUYNNGSSA-N 1 0 331.843 4.134 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c(O)c1 ZINC000769319683 1045919120 /nfs/dbraw/zinc/91/91/20/1045919120.db2.gz WMFYQXYRQCWHPO-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO CCOc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(O)c1 ZINC000769384859 1045945808 /nfs/dbraw/zinc/94/58/08/1045945808.db2.gz PXUOXJQGGNWYFF-UHFFFAOYSA-N 1 0 341.451 4.441 20 10 EICDRO CCOC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000769390523 1045949127 /nfs/dbraw/zinc/94/91/27/1045949127.db2.gz WNBMKWBNBUIURV-UHFFFAOYSA-N 1 0 343.423 4.107 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1O ZINC000769428156 1045959286 /nfs/dbraw/zinc/95/92/86/1045959286.db2.gz MSLSTGRKGMHNPT-KRWDZBQOSA-N 1 0 333.378 4.406 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769483714 1045969554 /nfs/dbraw/zinc/96/95/54/1045969554.db2.gz ICHUZRUXOJHTDK-NRFANRHFSA-N 1 0 328.500 4.070 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1C ZINC000067690432 1045981403 /nfs/dbraw/zinc/98/14/03/1045981403.db2.gz KOMMEQOYFFLEDB-HNNXBMFYSA-N 1 0 329.440 4.180 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000769462869 1045982009 /nfs/dbraw/zinc/98/20/09/1045982009.db2.gz LHHVMUFHBALTSW-AUUYWEPGSA-N 1 0 329.465 4.079 20 10 EICDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470638 1045986106 /nfs/dbraw/zinc/98/61/06/1045986106.db2.gz MPHUSXWRLFSMHJ-BXUZGUMPSA-N 1 0 331.287 4.004 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000769512600 1046002561 /nfs/dbraw/zinc/00/25/61/1046002561.db2.gz KSEGUGGLXOXLAW-HNNXBMFYSA-N 1 0 329.465 4.015 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000769531480 1046008406 /nfs/dbraw/zinc/00/84/06/1046008406.db2.gz BJSGELISPQMJGC-MRXNPFEDSA-N 1 0 347.842 4.098 20 10 EICDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769534886 1046009753 /nfs/dbraw/zinc/00/97/53/1046009753.db2.gz ZYKOWSHUFXSQBD-FQEVSTJZSA-N 1 0 348.494 4.075 20 10 EICDRO CCOc1cccc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c1O ZINC000769538161 1046012481 /nfs/dbraw/zinc/01/24/81/1046012481.db2.gz UFJYHESETZZBKE-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000769560556 1046021188 /nfs/dbraw/zinc/02/11/88/1046021188.db2.gz WAQAYVATGXLKBS-ZDUSSCGKSA-N 1 0 333.378 4.059 20 10 EICDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000769684222 1046036870 /nfs/dbraw/zinc/03/68/70/1046036870.db2.gz KTXDNQAFHWCZBP-UCNVEGJOSA-N 1 0 344.543 4.200 20 10 EICDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000792894448 1046095116 /nfs/dbraw/zinc/09/51/16/1046095116.db2.gz XKFZRHDJNBDKHP-JKSUJKDBSA-N 1 0 342.483 4.052 20 10 EICDRO FC(F)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000792920933 1046108998 /nfs/dbraw/zinc/10/89/98/1046108998.db2.gz GONKGLMSKJAWHY-UHFFFAOYSA-N 1 0 348.462 4.467 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)c1O ZINC000769935264 1046116602 /nfs/dbraw/zinc/11/66/02/1046116602.db2.gz MESHMOVTFKQIIT-HNNXBMFYSA-N 1 0 331.481 4.370 20 10 EICDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769992800 1046123726 /nfs/dbraw/zinc/12/37/26/1046123726.db2.gz CYOOLKGLRPLOFG-MRXNPFEDSA-N 1 0 334.479 4.019 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000793233963 1046179863 /nfs/dbraw/zinc/17/98/63/1046179863.db2.gz XGCWPQRBSKRLLL-FQEVSTJZSA-N 1 0 327.468 4.131 20 10 EICDRO CCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](O)c1ccccc1 ZINC000793236110 1046181610 /nfs/dbraw/zinc/18/16/10/1046181610.db2.gz BPYZYLALKKCMNI-SJLPKXTDSA-N 1 0 349.858 4.046 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000793269778 1046194395 /nfs/dbraw/zinc/19/43/95/1046194395.db2.gz PHRHRDWIIIQMQW-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCCc3ccccc3F)CC2)cc1 ZINC000793346653 1046206539 /nfs/dbraw/zinc/20/65/39/1046206539.db2.gz IZKQMXULOYNBTG-UHFFFAOYSA-N 1 0 342.458 4.026 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000793351989 1046224132 /nfs/dbraw/zinc/22/41/32/1046224132.db2.gz LJNSITSLLUWAEA-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)c(O)c1 ZINC000793386462 1046229661 /nfs/dbraw/zinc/22/96/61/1046229661.db2.gz RKECSSDDDSPSAR-UHFFFAOYSA-N 1 0 343.370 4.303 20 10 EICDRO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1O ZINC000793565870 1046293303 /nfs/dbraw/zinc/29/33/03/1046293303.db2.gz IYIZKIYTJDIUAN-AWEZNQCLSA-N 1 0 341.842 4.141 20 10 EICDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N2CCCCC2)cc1 ZINC000793576695 1046298827 /nfs/dbraw/zinc/29/88/27/1046298827.db2.gz YJTVIAPNGNCMOD-KRWDZBQOSA-N 1 0 348.494 4.447 20 10 EICDRO Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nc2ccccc12 ZINC000771792089 1046492084 /nfs/dbraw/zinc/49/20/84/1046492084.db2.gz VRDXWYGFCYZNLK-UHFFFAOYSA-N 1 0 348.494 4.415 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000771933981 1046528454 /nfs/dbraw/zinc/52/84/54/1046528454.db2.gz PVIJWGLNFMXPRY-IBGZPJMESA-N 1 0 327.424 4.137 20 10 EICDRO Cc1c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000917074574 1046639219 /nfs/dbraw/zinc/63/92/19/1046639219.db2.gz ALTPQISDUTUXLL-UHFFFAOYSA-N 1 0 339.439 4.134 20 10 EICDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000772468017 1046646586 /nfs/dbraw/zinc/64/65/86/1046646586.db2.gz QFGNWSXKLOXRTD-FQVISZRSSA-N 1 0 330.516 4.411 20 10 EICDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000785560267 1046711003 /nfs/dbraw/zinc/71/10/03/1046711003.db2.gz QIOQHSUJFCZUQP-GFCCVEGCSA-N 1 0 339.357 4.313 20 10 EICDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)C ZINC000785574119 1046722803 /nfs/dbraw/zinc/72/28/03/1046722803.db2.gz YJGMFWIRPOIEHL-AVYPCKFXSA-N 1 0 330.447 4.182 20 10 EICDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000786585862 1046850730 /nfs/dbraw/zinc/85/07/30/1046850730.db2.gz YWVRJNCZPJNKBN-QFBILLFUSA-N 1 0 335.447 4.108 20 10 EICDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cnn1C(C)(C)C ZINC000786913302 1046880083 /nfs/dbraw/zinc/88/00/83/1046880083.db2.gz XBAMCCGFHVUWDW-OAHLLOKOSA-N 1 0 328.504 4.172 20 10 EICDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000786955006 1046883310 /nfs/dbraw/zinc/88/33/10/1046883310.db2.gz XJRWEKMJJZSCHN-RHSMWYFYSA-N 1 0 344.421 4.295 20 10 EICDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000786955005 1046883640 /nfs/dbraw/zinc/88/36/40/1046883640.db2.gz XJRWEKMJJZSCHN-PBHICJAKSA-N 1 0 344.421 4.295 20 10 EICDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc2ccccc2c1O)C(F)(F)F ZINC000786953867 1046884328 /nfs/dbraw/zinc/88/43/28/1046884328.db2.gz NRXFXMZRPOBEDP-ABAIWWIYSA-N 1 0 327.346 4.163 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cc(Cl)cs1)C[C@H]1CCCO1 ZINC000787047597 1046898996 /nfs/dbraw/zinc/89/89/96/1046898996.db2.gz AMSNRFJUPAMMOA-OAHLLOKOSA-N 1 0 337.872 4.288 20 10 EICDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787326218 1046993110 /nfs/dbraw/zinc/99/31/10/1046993110.db2.gz AQHTYEGPFNZPEJ-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132755 1047125098 /nfs/dbraw/zinc/12/50/98/1047125098.db2.gz ZXBABCOVZKLNQH-ZBEGNZNMSA-N 1 0 343.298 4.224 20 10 EICDRO CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000806173101 1047157685 /nfs/dbraw/zinc/15/76/85/1047157685.db2.gz WPCSTWHFMFTVJV-RBUKOAKNSA-N 1 0 330.447 4.183 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000806175146 1047160567 /nfs/dbraw/zinc/16/05/67/1047160567.db2.gz VUQGLNORIMOELC-SJCJKPOMSA-N 1 0 339.357 4.104 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cn2ccccc2n1 ZINC000788589476 1047238694 /nfs/dbraw/zinc/23/86/94/1047238694.db2.gz BTZDXJYCINWBAH-GOSISDBHSA-N 1 0 348.494 4.421 20 10 EICDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc2ccccc2c1O ZINC000788603949 1047245008 /nfs/dbraw/zinc/24/50/08/1047245008.db2.gz GUOIBMJFUICOSD-OAHLLOKOSA-N 1 0 325.452 4.139 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c(O)c1 ZINC000788603078 1047245282 /nfs/dbraw/zinc/24/52/82/1047245282.db2.gz DSOCHMUSUHUXGB-RHSMWYFYSA-N 1 0 348.437 4.241 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000788619101 1047249531 /nfs/dbraw/zinc/24/95/31/1047249531.db2.gz DHZWXPZCVBVAGT-MOPGFXCFSA-N 1 0 337.511 4.320 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000788631868 1047255435 /nfs/dbraw/zinc/25/54/35/1047255435.db2.gz OITOPQUCCYDDJD-VKJFTORMSA-N 1 0 331.431 4.311 20 10 EICDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759541 1047333574 /nfs/dbraw/zinc/33/35/74/1047333574.db2.gz ZMRPQLXZSMYAMU-ONGXEEELSA-N 1 0 325.758 4.054 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)Cc2cccc(Br)c2)cc1C ZINC000918182442 1047371990 /nfs/dbraw/zinc/37/19/90/1047371990.db2.gz RHDQOHARGLVWMA-UHFFFAOYSA-N 1 0 334.257 4.404 20 10 EICDRO CCC[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000897925485 1047507009 /nfs/dbraw/zinc/50/70/09/1047507009.db2.gz ITVLBCLLIWEAOY-FQEVSTJZSA-N 1 0 329.440 4.215 20 10 EICDRO COc1cccc(O)c1C[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000790483533 1047596970 /nfs/dbraw/zinc/59/69/70/1047596970.db2.gz HSBAGLSAZBOFIH-UHFFFAOYSA-N 1 0 327.355 4.090 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000898322664 1047614459 /nfs/dbraw/zinc/61/44/59/1047614459.db2.gz PDRYEFYURNOINM-SFHVURJKSA-N 1 0 349.400 4.407 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000824307384 1047852447 /nfs/dbraw/zinc/85/24/47/1047852447.db2.gz IJHNWRWYWGNCCT-MRXNPFEDSA-N 1 0 332.538 4.227 20 10 EICDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)C1 ZINC000824339384 1047856728 /nfs/dbraw/zinc/85/67/28/1047856728.db2.gz UQJNUDMRKXSJOC-LPHOPBHVSA-N 1 0 344.524 4.384 20 10 EICDRO COc1cc(Br)cc(C[NH+](C2CCC2)C2CCC2)c1O ZINC000814177766 1047866355 /nfs/dbraw/zinc/86/63/55/1047866355.db2.gz OJHVSJNWWRIWLO-UHFFFAOYSA-N 1 0 340.261 4.070 20 10 EICDRO CSC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000814178896 1047868062 /nfs/dbraw/zinc/86/80/62/1047868062.db2.gz IAZQSNKYMUKXMN-GFCCVEGCSA-N 1 0 344.318 4.038 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1 ZINC000765574206 1047870215 /nfs/dbraw/zinc/87/02/15/1047870215.db2.gz HORITZRXPHWVAH-GOSISDBHSA-N 1 0 348.494 4.222 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425509 1047889027 /nfs/dbraw/zinc/88/90/27/1047889027.db2.gz FZWPIFOIBQWDDJ-NRFANRHFSA-N 1 0 343.490 4.064 20 10 EICDRO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697163 1047896943 /nfs/dbraw/zinc/89/69/43/1047896943.db2.gz ZCRSKZLXUWHEIW-YPAWHYETSA-N 1 0 342.527 4.192 20 10 EICDRO Oc1cc2c(cc1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)OCO2 ZINC000824697174 1047897434 /nfs/dbraw/zinc/89/74/34/1047897434.db2.gz ZFVQZBIRXMVCLU-SFHVURJKSA-N 1 0 349.789 4.154 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)c1ccccc1 ZINC000808447462 1047910189 /nfs/dbraw/zinc/91/01/89/1047910189.db2.gz ZUUDELBDAGNZQJ-AOMKIAJQSA-N 1 0 333.431 4.271 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000808428522 1047938018 /nfs/dbraw/zinc/93/80/18/1047938018.db2.gz FLZGJGNUYDWLQS-UHFFFAOYSA-N 1 0 331.284 4.287 20 10 EICDRO COCC(C)(C)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000808428747 1047941679 /nfs/dbraw/zinc/94/16/79/1047941679.db2.gz NWLCCKUQVGCXTO-UHFFFAOYSA-N 1 0 346.437 4.314 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000808431251 1047944685 /nfs/dbraw/zinc/94/46/85/1047944685.db2.gz PRUFXONLFGAEIS-GFCCVEGCSA-N 1 0 332.435 4.004 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045702 1048023190 /nfs/dbraw/zinc/02/31/90/1048023190.db2.gz JNMAQIQEZKLVBN-LBPRGKRZSA-N 1 0 327.733 4.240 20 10 EICDRO CCc1ncc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)o1 ZINC000825079187 1048032508 /nfs/dbraw/zinc/03/25/08/1048032508.db2.gz NHJYLBSTBZCYQI-ZDUSSCGKSA-N 1 0 328.334 4.202 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000808691769 1048039709 /nfs/dbraw/zinc/03/97/09/1048039709.db2.gz RDPLQRLBFOAMSS-CYBMUJFWSA-N 1 0 347.842 4.366 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000808686049 1048039892 /nfs/dbraw/zinc/03/98/92/1048039892.db2.gz FQJYFESZYARXSO-ZDUSSCGKSA-N 1 0 346.858 4.389 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C)c3ccccc32)c1 ZINC000825117486 1048041128 /nfs/dbraw/zinc/04/11/28/1048041128.db2.gz FLTUUYBWHSPPHN-KDOFPFPSSA-N 1 0 326.440 4.023 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000808673374 1048044775 /nfs/dbraw/zinc/04/47/75/1048044775.db2.gz OBHVEICSYSZBAN-BDJLRTHQSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC000808674520 1048044992 /nfs/dbraw/zinc/04/49/92/1048044992.db2.gz UMNRLRXQUPHBQC-BLLLJJGKSA-N 1 0 338.904 4.369 20 10 EICDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808673250 1048047015 /nfs/dbraw/zinc/04/70/15/1048047015.db2.gz MJIMCVSVIZCNPZ-GFCCVEGCSA-N 1 0 332.831 4.163 20 10 EICDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808679525 1048049090 /nfs/dbraw/zinc/04/90/90/1048049090.db2.gz RVTVPAPDEFERIC-CQSZACIVSA-N 1 0 349.858 4.230 20 10 EICDRO COc1cc(O)c(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)cc1OC ZINC000825202057 1048051274 /nfs/dbraw/zinc/05/12/74/1048051274.db2.gz OVCUPYAPMZDQFK-UHFFFAOYSA-N 1 0 341.451 4.009 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000808706643 1048053294 /nfs/dbraw/zinc/05/32/94/1048053294.db2.gz PYFPFUDNDDQSTI-JDFRZJQESA-N 1 0 341.904 4.059 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000825191038 1048053935 /nfs/dbraw/zinc/05/39/35/1048053935.db2.gz TYBOVPVMEVLGGO-HNNXBMFYSA-N 1 0 348.240 4.158 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1O ZINC000825197144 1048054647 /nfs/dbraw/zinc/05/46/47/1048054647.db2.gz SUBDESFWBXDWJO-UHFFFAOYSA-N 1 0 345.870 4.236 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccn1 ZINC000825233353 1048055180 /nfs/dbraw/zinc/05/51/80/1048055180.db2.gz BSUKGECLBKJNJQ-AWEZNQCLSA-N 1 0 335.245 4.181 20 10 EICDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000825286669 1048063983 /nfs/dbraw/zinc/06/39/83/1048063983.db2.gz FZJYQAJVOPJPMD-MRXNPFEDSA-N 1 0 349.272 4.345 20 10 EICDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000808725148 1048074003 /nfs/dbraw/zinc/07/40/03/1048074003.db2.gz NREMZFGOHNUSLG-LBPRGKRZSA-N 1 0 344.293 4.176 20 10 EICDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1O ZINC000808729258 1048093508 /nfs/dbraw/zinc/09/35/08/1048093508.db2.gz WXGGXYXHOPXAED-KRWDZBQOSA-N 1 0 339.395 4.065 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808742334 1048099469 /nfs/dbraw/zinc/09/94/69/1048099469.db2.gz PVSWWFDWRLOLAK-JXFKEZNVSA-N 1 0 327.468 4.362 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000808742335 1048100324 /nfs/dbraw/zinc/10/03/24/1048100324.db2.gz PVSWWFDWRLOLAK-OXJNMPFZSA-N 1 0 327.468 4.362 20 10 EICDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500907 1048104099 /nfs/dbraw/zinc/10/40/99/1048104099.db2.gz JVMQDULMTPMVKL-AWEZNQCLSA-N 1 0 328.456 4.286 20 10 EICDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825529346 1048109369 /nfs/dbraw/zinc/10/93/69/1048109369.db2.gz AVYPHGJDHPYNOJ-LBPRGKRZSA-N 1 0 335.879 4.465 20 10 EICDRO Cc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)c2ccccc2[nH+]1 ZINC000844161912 1048223456 /nfs/dbraw/zinc/22/34/56/1048223456.db2.gz XWNLGGOFODUZTF-UHFFFAOYSA-N 1 0 347.462 4.016 20 10 EICDRO Cc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1N(C)C ZINC000815009623 1048294294 /nfs/dbraw/zinc/29/42/94/1048294294.db2.gz IJUOLPYQETYPNJ-UHFFFAOYSA-N 1 0 336.479 4.156 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1N(C)C ZINC000815072375 1048318826 /nfs/dbraw/zinc/31/88/26/1048318826.db2.gz KWKOJGMCPYPAGV-OAQYLSRUSA-N 1 0 348.494 4.285 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1ccc(OC)c(OC)c1 ZINC000815116396 1048331779 /nfs/dbraw/zinc/33/17/79/1048331779.db2.gz LDYAUOHBCCFWNT-IBGZPJMESA-N 1 0 342.483 4.401 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000815119288 1048334356 /nfs/dbraw/zinc/33/43/56/1048334356.db2.gz SQBKIVRIDDATIQ-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000815124335 1048339121 /nfs/dbraw/zinc/33/91/21/1048339121.db2.gz TVGICICTPMTKFM-NRFANRHFSA-N 1 0 338.495 4.136 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000815150208 1048349766 /nfs/dbraw/zinc/34/97/66/1048349766.db2.gz SWLYAYAMRJTSSO-UHFFFAOYSA-N 1 0 349.833 4.066 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815146448 1048369114 /nfs/dbraw/zinc/36/91/14/1048369114.db2.gz HUCIGROUQXGSLL-GFCCVEGCSA-N 1 0 345.805 4.221 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]CCC3CCCCCC3)cc2F)CC1 ZINC000809610005 1048417817 /nfs/dbraw/zinc/41/78/17/1048417817.db2.gz STLOLISPMONYCO-UHFFFAOYSA-N 1 0 348.506 4.237 20 10 EICDRO CCN(CCOC)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920087910 1048457472 /nfs/dbraw/zinc/45/74/72/1048457472.db2.gz PNQWIADLDUZLMM-UHFFFAOYSA-N 1 0 340.427 4.009 20 10 EICDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700959 1048465215 /nfs/dbraw/zinc/46/52/15/1048465215.db2.gz RVFZPAHFHHJQTC-GHTZIAJQSA-N 1 0 330.516 4.192 20 10 EICDRO Cc1cc(Cl)cc(CN(C)Cc2nc(-c3cccs3)no2)c1O ZINC000809687345 1048474225 /nfs/dbraw/zinc/47/42/25/1048474225.db2.gz GKPATTWSVOUEGD-UHFFFAOYSA-N 1 0 349.843 4.098 20 10 EICDRO COc1cccc(C[N@H+](Cc2cccnc2)Cc2ccccc2C)c1O ZINC000809735689 1048483438 /nfs/dbraw/zinc/48/34/38/1048483438.db2.gz OUUMJFVPNDQVDG-UHFFFAOYSA-N 1 0 348.446 4.307 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844746902 1048484587 /nfs/dbraw/zinc/48/45/87/1048484587.db2.gz PBDWDJRCSQAWLN-KRWDZBQOSA-N 1 0 325.399 4.017 20 10 EICDRO Oc1ccc2c(c1)OCC[N@@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000809704654 1048487805 /nfs/dbraw/zinc/48/78/05/1048487805.db2.gz DVDRZWMOIPNDIJ-UHFFFAOYSA-N 1 0 347.414 4.159 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1cscc1Cl ZINC000809713672 1048491526 /nfs/dbraw/zinc/49/15/26/1048491526.db2.gz XFPTXJOOMWOPRT-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000809712776 1048491731 /nfs/dbraw/zinc/49/17/31/1048491731.db2.gz DYKARDBVUIUKTK-OCCSQVGLSA-N 1 0 344.318 4.165 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000815552952 1048505847 /nfs/dbraw/zinc/50/58/47/1048505847.db2.gz OCYZLQJAYKRFLM-DLBZAZTESA-N 1 0 328.456 4.090 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)c1O ZINC000809739853 1048512877 /nfs/dbraw/zinc/51/28/77/1048512877.db2.gz FLFRAKMGBNRMJR-UHFFFAOYSA-N 1 0 347.842 4.133 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809748359 1048514632 /nfs/dbraw/zinc/51/46/32/1048514632.db2.gz PMSZAULFPWYRCA-JOCHJYFZSA-N 1 0 333.431 4.273 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000809757930 1048521335 /nfs/dbraw/zinc/52/13/35/1048521335.db2.gz WLBXKCQPXSIRQO-GOSISDBHSA-N 1 0 343.471 4.248 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809756338 1048522397 /nfs/dbraw/zinc/52/23/97/1048522397.db2.gz GLIPENSYBILZAR-GOSISDBHSA-N 1 0 343.471 4.248 20 10 EICDRO COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1C ZINC000809763922 1048524546 /nfs/dbraw/zinc/52/45/46/1048524546.db2.gz SQTIIOORHDJQSI-LJQANCHMSA-N 1 0 341.451 4.176 20 10 EICDRO OC[C@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815588325 1048525663 /nfs/dbraw/zinc/52/56/63/1048525663.db2.gz KQUQEKSTCOJYQX-ZVDOUQERSA-N 1 0 339.479 4.207 20 10 EICDRO OCCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815597584 1048530922 /nfs/dbraw/zinc/53/09/22/1048530922.db2.gz ZSFHJEGZDVTVHW-FQEVSTJZSA-N 1 0 339.479 4.208 20 10 EICDRO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000844923558 1048548050 /nfs/dbraw/zinc/54/80/50/1048548050.db2.gz IWZHPESAAUSSRR-LLVKDONJSA-N 1 0 339.266 4.269 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1 ZINC000815627950 1048551936 /nfs/dbraw/zinc/55/19/36/1048551936.db2.gz OEMOVCKVBXBDAH-IFXJQAMLSA-N 1 0 331.481 4.209 20 10 EICDRO COCC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)CCC1 ZINC000815642373 1048568193 /nfs/dbraw/zinc/56/81/93/1048568193.db2.gz ADURYGHQAXJIMT-LBPRGKRZSA-N 1 0 342.277 4.012 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000810133799 1048640993 /nfs/dbraw/zinc/64/09/93/1048640993.db2.gz MKZXIVLBZIJVRA-UHFFFAOYSA-N 1 0 328.500 4.116 20 10 EICDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000810135519 1048642729 /nfs/dbraw/zinc/64/27/29/1048642729.db2.gz PAHGUHHRVUOEFG-YTQUADARSA-N 1 0 328.500 4.166 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1F ZINC000810139137 1048645058 /nfs/dbraw/zinc/64/50/58/1048645058.db2.gz ZWVPOMXAQUMTOW-UHFFFAOYSA-N 1 0 332.366 4.262 20 10 EICDRO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000920413214 1048668708 /nfs/dbraw/zinc/66/87/08/1048668708.db2.gz QEGZREMKCPKPGC-UHFFFAOYSA-N 1 0 348.494 4.153 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(C(F)(F)F)cc1O ZINC000810212599 1048682541 /nfs/dbraw/zinc/68/25/41/1048682541.db2.gz CSARVZURUGWVPC-INIZCTEOSA-N 1 0 339.357 4.144 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(C(F)(F)F)cc1O ZINC000810215241 1048684786 /nfs/dbraw/zinc/68/47/86/1048684786.db2.gz UPJNYEGCDBUPOR-OAHLLOKOSA-N 1 0 325.330 4.358 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219098 1048688964 /nfs/dbraw/zinc/68/89/64/1048688964.db2.gz FIKVFFYTSYUHAL-LNSITVRQSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810220970 1048690484 /nfs/dbraw/zinc/69/04/84/1048690484.db2.gz IHBRBFPADRGSQW-OAHLLOKOSA-N 1 0 345.405 4.395 20 10 EICDRO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228869 1048696453 /nfs/dbraw/zinc/69/64/53/1048696453.db2.gz NAYQLKKWTYRYMX-PGUXBMHVSA-N 1 0 331.378 4.408 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000810229711 1048697456 /nfs/dbraw/zinc/69/74/56/1048697456.db2.gz ICOFSNJQYOWUPX-WPGHFRTFSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810234666 1048701475 /nfs/dbraw/zinc/70/14/75/1048701475.db2.gz GGXSCKDEJXYACL-DZGCQCFKSA-N 1 0 331.378 4.411 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccc(C(F)(F)F)cc1O ZINC000810210018 1048705075 /nfs/dbraw/zinc/70/50/75/1048705075.db2.gz ZCHVLCHHGRYLJO-CQSZACIVSA-N 1 0 340.345 4.056 20 10 EICDRO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810236449 1048719147 /nfs/dbraw/zinc/71/91/47/1048719147.db2.gz GCBLJACJIZKZCS-CQSZACIVSA-N 1 0 331.378 4.004 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc2ccccc2c1O ZINC000810245634 1048726258 /nfs/dbraw/zinc/72/62/58/1048726258.db2.gz FGLSGGLQTDEJTM-JFJYTDJESA-N 1 0 347.458 4.362 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1C ZINC000810252606 1048729938 /nfs/dbraw/zinc/72/99/38/1048729938.db2.gz GYXFECZWKIUILN-LIRRHRJNSA-N 1 0 331.481 4.209 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000810253562 1048730308 /nfs/dbraw/zinc/73/03/08/1048730308.db2.gz WWTJXNQCUZWMOA-UYAOXDASSA-N 1 0 344.524 4.343 20 10 EICDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)c1ccccc1O ZINC000845989872 1048776308 /nfs/dbraw/zinc/77/63/08/1048776308.db2.gz KCKSLSRRTUOUAQ-SNVBAGLBSA-N 1 0 327.758 4.498 20 10 EICDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816502151 1048821456 /nfs/dbraw/zinc/82/14/56/1048821456.db2.gz PMJARIGDTUFHEC-UHFFFAOYSA-N 1 0 337.448 4.195 20 10 EICDRO COc1cccc([C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816503448 1048821843 /nfs/dbraw/zinc/82/18/43/1048821843.db2.gz XWIJPOKHTGCIDT-NRFANRHFSA-N 1 0 349.430 4.128 20 10 EICDRO Oc1c(C[NH2+]CCc2ccc(OC(F)F)cc2)ccc2ccccc21 ZINC000816529772 1048823827 /nfs/dbraw/zinc/82/38/27/1048823827.db2.gz HDMQUTUIVVOBEU-UHFFFAOYSA-N 1 0 343.373 4.479 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1O ZINC000846152368 1048824443 /nfs/dbraw/zinc/82/44/43/1048824443.db2.gz ATUOKKODVOXZHT-MWBIGIAMSA-N 1 0 327.424 4.005 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2Cl)c1O ZINC000846154443 1048825121 /nfs/dbraw/zinc/82/51/21/1048825121.db2.gz QTOMEYVGYUBZKU-SJKOYZFVSA-N 1 0 335.831 4.093 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1OC ZINC000816535481 1048825246 /nfs/dbraw/zinc/82/52/46/1048825246.db2.gz PTQWTSWGSLCGQA-UHFFFAOYSA-N 1 0 337.419 4.243 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)c1O ZINC000846155711 1048825210 /nfs/dbraw/zinc/82/52/10/1048825210.db2.gz VPNIPIBLDJUZDQ-PXAZEXFGSA-N 1 0 335.831 4.093 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)ccc2ccccc21 ZINC000816535551 1048826169 /nfs/dbraw/zinc/82/61/69/1048826169.db2.gz SCIUEAWZEYMYAW-UHFFFAOYSA-N 1 0 347.462 4.221 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(OCC3CC3)nc2)ccc2ccccc21 ZINC000816545072 1048827096 /nfs/dbraw/zinc/82/70/96/1048827096.db2.gz CGJIRLFARYLCQJ-UHFFFAOYSA-N 1 0 334.419 4.019 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1O ZINC000846135372 1048829172 /nfs/dbraw/zinc/82/91/72/1048829172.db2.gz CHSCGRXJACOPJM-RYUDHWBXSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000846140245 1048830627 /nfs/dbraw/zinc/83/06/27/1048830627.db2.gz KTZBTIXYJYPLAK-RYUDHWBXSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)c1O ZINC000846139366 1048830722 /nfs/dbraw/zinc/83/07/22/1048830722.db2.gz SCQJBJKUTBNMHU-CQSZACIVSA-N 1 0 345.439 4.047 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000846140246 1048830832 /nfs/dbraw/zinc/83/08/32/1048830832.db2.gz KTZBTIXYJYPLAK-VXGBXAGGSA-N 1 0 337.366 4.414 20 10 EICDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846142096 1048831414 /nfs/dbraw/zinc/83/14/14/1048831414.db2.gz XAXLPQYHSFQJAR-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1O ZINC000846143385 1048831803 /nfs/dbraw/zinc/83/18/03/1048831803.db2.gz FCLXCVJQNANVFR-YWZLYKJASA-N 1 0 341.451 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c1O ZINC000846142676 1048832066 /nfs/dbraw/zinc/83/20/66/1048832066.db2.gz GIOXZIZOQFUIKH-NHYWBVRUSA-N 1 0 333.428 4.428 20 10 EICDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)Oc1ccccc1F ZINC000846144370 1048832074 /nfs/dbraw/zinc/83/20/74/1048832074.db2.gz CPCUDDKEVIMECT-KBPBESRZSA-N 1 0 333.403 4.048 20 10 EICDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816590647 1048832132 /nfs/dbraw/zinc/83/21/32/1048832132.db2.gz HKRYZMHUOYWPNG-UZUQRXQVSA-N 1 0 349.474 4.265 20 10 EICDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816585055 1048832162 /nfs/dbraw/zinc/83/21/62/1048832162.db2.gz AEFBWTMZDRNERA-QGZVFWFLSA-N 1 0 339.357 4.089 20 10 EICDRO CC[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206703 1048833530 /nfs/dbraw/zinc/83/35/30/1048833530.db2.gz GHSJPOMLHHLCQC-VQTJNVASSA-N 1 0 349.478 4.459 20 10 EICDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816556496 1048833667 /nfs/dbraw/zinc/83/36/67/1048833667.db2.gz KXQKJJKNJASUEU-UHFFFAOYSA-N 1 0 342.782 4.397 20 10 EICDRO COc1cccc(OCCC[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816552775 1048833690 /nfs/dbraw/zinc/83/36/90/1048833690.db2.gz WJSCDSIEMSGLJU-UHFFFAOYSA-N 1 0 337.419 4.113 20 10 EICDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816556623 1048834061 /nfs/dbraw/zinc/83/40/61/1048834061.db2.gz PHWKPSSYCYHETG-UHFFFAOYSA-N 1 0 343.430 4.329 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846181919 1048835170 /nfs/dbraw/zinc/83/51/70/1048835170.db2.gz FXFDULFRWRPFIT-JKDFXYPNSA-N 1 0 337.822 4.266 20 10 EICDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559247 1048835491 /nfs/dbraw/zinc/83/54/91/1048835491.db2.gz COZCXWKBINWRNK-SUMWQHHRSA-N 1 0 327.449 4.209 20 10 EICDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000816562110 1048835743 /nfs/dbraw/zinc/83/57/43/1048835743.db2.gz YQWOSNFVFYHCSI-UHFFFAOYSA-N 1 0 348.849 4.070 20 10 EICDRO Oc1c(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc2ccccc12 ZINC000816559921 1048835818 /nfs/dbraw/zinc/83/58/18/1048835818.db2.gz YXXXWMNNBOJJAI-SFHVURJKSA-N 1 0 345.801 4.161 20 10 EICDRO CC[C@H](OCC[NH2+][C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846183985 1048836069 /nfs/dbraw/zinc/83/60/69/1048836069.db2.gz VURVAJJCGSUTMZ-QAPCUYQASA-N 1 0 329.440 4.219 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185080 1048836377 /nfs/dbraw/zinc/83/63/77/1048836377.db2.gz YMKQLMBMMOKZGL-GKCIPKSASA-N 1 0 330.447 4.055 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc2ccccc2c1O ZINC000846189712 1048838131 /nfs/dbraw/zinc/83/81/31/1048838131.db2.gz RSJHQTNYPWZBJD-PONJGIIJSA-N 1 0 335.447 4.492 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@](C)(O)c1ccccc1 ZINC000846189717 1048838918 /nfs/dbraw/zinc/83/89/18/1048838918.db2.gz RSJHQTNYPWZBJD-WJONJSRFSA-N 1 0 335.447 4.492 20 10 EICDRO Oc1c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc2ccccc21 ZINC000816614803 1048846015 /nfs/dbraw/zinc/84/60/15/1048846015.db2.gz GCAQUHSDPSSISC-HXUWFJFHSA-N 1 0 344.458 4.182 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000816657718 1048850838 /nfs/dbraw/zinc/85/08/38/1048850838.db2.gz YESUKUZHPFLDEF-FQEVSTJZSA-N 1 0 346.490 4.063 20 10 EICDRO OCC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000817419820 1048967486 /nfs/dbraw/zinc/96/74/86/1048967486.db2.gz YOGNEULTVPXCQR-QGZVFWFLSA-N 1 0 325.452 4.044 20 10 EICDRO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817586064 1049016110 /nfs/dbraw/zinc/01/61/10/1049016110.db2.gz LJPXBZXIHNEIBT-VOMCLLRMSA-N 1 0 331.287 4.222 20 10 EICDRO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817586063 1049016212 /nfs/dbraw/zinc/01/62/12/1049016212.db2.gz LJPXBZXIHNEIBT-UNXYVOJBSA-N 1 0 331.287 4.222 20 10 EICDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817587661 1049019568 /nfs/dbraw/zinc/01/95/68/1049019568.db2.gz ZXABJDGLOWVSDH-MRXNPFEDSA-N 1 0 334.479 4.162 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnccc1N ZINC000817897355 1049053433 /nfs/dbraw/zinc/05/34/33/1049053433.db2.gz MAUCRGFXKUMLJW-MRXNPFEDSA-N 1 0 338.499 4.114 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1O ZINC000817956841 1049066799 /nfs/dbraw/zinc/06/67/99/1049066799.db2.gz DZVIOYAPWPZIBN-INIZCTEOSA-N 1 0 338.373 4.277 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965541 1049070984 /nfs/dbraw/zinc/07/09/84/1049070984.db2.gz WYQDDVWIUJCNOX-AWEZNQCLSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2O ZINC000817974912 1049075474 /nfs/dbraw/zinc/07/54/74/1049075474.db2.gz HKMGPBCVEJFTAQ-SJKOYZFVSA-N 1 0 326.415 4.228 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980124 1049077239 /nfs/dbraw/zinc/07/72/39/1049077239.db2.gz IWGUYHXSKZAESK-SMDDNHRTSA-N 1 0 331.287 4.272 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984800 1049078170 /nfs/dbraw/zinc/07/81/70/1049078170.db2.gz AFZXUDOJUNIDAW-BXUZGUMPSA-N 1 0 343.298 4.414 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817987233 1049079755 /nfs/dbraw/zinc/07/97/55/1049079755.db2.gz RCLFYTMYJBQVNF-WNCDQNTKSA-N 1 0 343.298 4.128 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985336 1049080618 /nfs/dbraw/zinc/08/06/18/1049080618.db2.gz CQAAUCUCZFUSFF-ZAZJYDDPSA-N 1 0 343.298 4.128 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)cc1 ZINC000818221814 1049111214 /nfs/dbraw/zinc/11/12/14/1049111214.db2.gz UJUQVKPDAJLADJ-CYBMUJFWSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C/C(C)=C/c3ccccc3)C2)cc1 ZINC000818222678 1049116277 /nfs/dbraw/zinc/11/62/77/1049116277.db2.gz ZUCRAOHAFNPAKX-GJPUVDBCSA-N 1 0 336.479 4.215 20 10 EICDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc2ccccc21 ZINC000818953535 1049225598 /nfs/dbraw/zinc/22/55/98/1049225598.db2.gz KAMXVFPSWBRXOU-QHCPKHFHSA-N 1 0 346.474 4.263 20 10 EICDRO COc1ccc(Cl)c2c1C[C@@H]([N@H+](C)Cc1ccccc1O)CC2 ZINC001171326843 1049289574 /nfs/dbraw/zinc/28/95/74/1049289574.db2.gz SFGOUWPBABZISO-AWEZNQCLSA-N 1 0 331.843 4.044 20 10 EICDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)CCC2 ZINC000747788713 1049458904 /nfs/dbraw/zinc/45/89/04/1049458904.db2.gz NOJQARFMSAGBKB-NRFANRHFSA-N 1 0 337.463 4.062 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)cc1 ZINC000772997479 1049496641 /nfs/dbraw/zinc/49/66/41/1049496641.db2.gz DBHQFZDTJPVZDO-AWEZNQCLSA-N 1 0 340.446 4.019 20 10 EICDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000105827781 1049521348 /nfs/dbraw/zinc/52/13/48/1049521348.db2.gz CTUWNGDRCFNDAI-HXUWFJFHSA-N 1 0 344.886 4.154 20 10 EICDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000827979943 1049533181 /nfs/dbraw/zinc/53/31/81/1049533181.db2.gz GBUGBJRTYMFBMF-UHFFFAOYSA-N 1 0 340.183 4.223 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000812735138 1049556164 /nfs/dbraw/zinc/55/61/64/1049556164.db2.gz PLSAEVALKGJIRB-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812737422 1049557620 /nfs/dbraw/zinc/55/76/20/1049557620.db2.gz VQPJWECBGFSTHW-IAGOWNOFSA-N 1 0 341.474 4.069 20 10 EICDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773098521 1049579929 /nfs/dbraw/zinc/57/99/29/1049579929.db2.gz LVSRWMDMZYZVBP-CQSZACIVSA-N 1 0 334.891 4.017 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000812835092 1049604621 /nfs/dbraw/zinc/60/46/21/1049604621.db2.gz LQSVEULGWCSAMM-NHCUHLMSSA-N 1 0 328.500 4.222 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 ZINC000237594277 1049637339 /nfs/dbraw/zinc/63/73/39/1049637339.db2.gz CMWYPMFIINLKTD-DNVCBOLYSA-N 1 0 344.886 4.188 20 10 EICDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)c(O)c1 ZINC001171520675 1049748507 /nfs/dbraw/zinc/74/85/07/1049748507.db2.gz OUAKKMWFAKNVTD-CYBMUJFWSA-N 1 0 335.369 4.073 20 10 EICDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)c1 ZINC000822503585 1049770403 /nfs/dbraw/zinc/77/04/03/1049770403.db2.gz ISJJKMSAULEOKS-UHFFFAOYSA-N 1 0 335.831 4.088 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000813883433 1049831935 /nfs/dbraw/zinc/83/19/35/1049831935.db2.gz KHTAASOZIXYTEN-CVEARBPZSA-N 1 0 328.431 4.078 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000823476758 1049851143 /nfs/dbraw/zinc/85/11/43/1049851143.db2.gz BIWICYRSSSCCCM-UHFFFAOYSA-N 1 0 325.481 4.345 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115719 1049858399 /nfs/dbraw/zinc/85/83/99/1049858399.db2.gz ZHJFMYNWQJKKBI-KYFSNAEOSA-N 1 0 342.527 4.237 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000824037620 1049894851 /nfs/dbraw/zinc/89/48/51/1049894851.db2.gz VSCOMRATEZKXLU-QGZVFWFLSA-N 1 0 344.524 4.432 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000824120175 1049898533 /nfs/dbraw/zinc/89/85/33/1049898533.db2.gz UGEPSUDAZZZIPR-UHFFFAOYSA-N 1 0 337.492 4.412 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000824215171 1049906602 /nfs/dbraw/zinc/90/66/02/1049906602.db2.gz MYYFQPZMECSIRU-FXAWDEMLSA-N 1 0 344.524 4.025 20 10 EICDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)cc1O ZINC001172567280 1049937245 /nfs/dbraw/zinc/93/72/45/1049937245.db2.gz JCSQPKVBJBLBAR-SNVBAGLBSA-N 1 0 341.785 4.140 20 10 EICDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172578436 1049951900 /nfs/dbraw/zinc/95/19/00/1049951900.db2.gz OCFMTELYEUMONW-JTQLQIEISA-N 1 0 341.785 4.140 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(OC(F)(F)F)c1 ZINC000180838612 1049953758 /nfs/dbraw/zinc/95/37/58/1049953758.db2.gz AUZCPNCJCBLDQO-JTQLQIEISA-N 1 0 329.293 4.281 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)cc1 ZINC001177176033 1050164571 /nfs/dbraw/zinc/16/45/71/1050164571.db2.gz UWYLVRWGHBMPRZ-HXUWFJFHSA-N 1 0 346.421 4.280 20 10 EICDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172872567 1050212063 /nfs/dbraw/zinc/21/20/63/1050212063.db2.gz CSOGYZDQEYVFIC-GFCCVEGCSA-N 1 0 337.872 4.064 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCCC1 ZINC001177581834 1050257199 /nfs/dbraw/zinc/25/71/99/1050257199.db2.gz PEDLSOCMMBDIKV-HXUWFJFHSA-N 1 0 347.522 4.026 20 10 EICDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC001177733719 1050289615 /nfs/dbraw/zinc/28/96/15/1050289615.db2.gz QQZMLEFBTAHCBA-UHFFFAOYSA-N 1 0 338.495 4.359 20 10 EICDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001177744079 1050292634 /nfs/dbraw/zinc/29/26/34/1050292634.db2.gz QUKIANSFWKNYPO-SIKLNZKXSA-N 1 0 349.522 4.212 20 10 EICDRO Cc1cccc2c1CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203636274 1050293745 /nfs/dbraw/zinc/29/37/45/1050293745.db2.gz RWMBNEMWYLAOBN-UHFFFAOYSA-N 1 0 332.241 4.021 20 10 EICDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001177785207 1050301116 /nfs/dbraw/zinc/30/11/16/1050301116.db2.gz ULUUMROEOFCSME-UHFFFAOYSA-N 1 0 325.452 4.088 20 10 EICDRO CCC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC001178634663 1050522109 /nfs/dbraw/zinc/52/21/09/1050522109.db2.gz QDMOQDQKWHGBEL-QUCCMNQESA-N 1 0 348.437 4.023 20 10 EICDRO CCN(C)c1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000773767112 1050537955 /nfs/dbraw/zinc/53/79/55/1050537955.db2.gz WUVHPONMOPVENX-UHFFFAOYSA-N 1 0 346.478 4.308 20 10 EICDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775128461 1050563347 /nfs/dbraw/zinc/56/33/47/1050563347.db2.gz DACIZNSVYITDTP-GFCCVEGCSA-N 1 0 325.330 4.141 20 10 EICDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001179081106 1050627473 /nfs/dbraw/zinc/62/74/73/1050627473.db2.gz ADJKDAHWQWYPEK-OXQOHEQNSA-N 1 0 346.540 4.271 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4ccccc43)C2)cc1 ZINC001179128725 1050637206 /nfs/dbraw/zinc/63/72/06/1050637206.db2.gz FLZDWPPSJPKEPA-IBGZPJMESA-N 1 0 332.447 4.217 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc2c(c1)CCCO2 ZINC001179205988 1050649926 /nfs/dbraw/zinc/64/99/26/1050649926.db2.gz ZQNKTLFIZLOXPC-CYBMUJFWSA-N 1 0 346.421 4.207 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)cc1F ZINC001179222892 1050651899 /nfs/dbraw/zinc/65/18/99/1050651899.db2.gz VPHGPZRQSVGBDI-NRFANRHFSA-N 1 0 344.449 4.488 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000773810542 1050662499 /nfs/dbraw/zinc/66/24/99/1050662499.db2.gz JAEUFPVOOBXPDJ-INIZCTEOSA-N 1 0 342.483 4.319 20 10 EICDRO CC[NH+](CC)C1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237082610 1050667635 /nfs/dbraw/zinc/66/76/35/1050667635.db2.gz SSHXMKKQDGZODW-UHFFFAOYSA-N 1 0 331.287 4.005 20 10 EICDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC001179541096 1050723435 /nfs/dbraw/zinc/72/34/35/1050723435.db2.gz DYHTUVKYPWHNRB-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)cc1C ZINC001179776209 1050770895 /nfs/dbraw/zinc/77/08/95/1050770895.db2.gz MGFVWDGKPTWNQH-KRWDZBQOSA-N 1 0 347.405 4.155 20 10 EICDRO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179844855 1050796471 /nfs/dbraw/zinc/79/64/71/1050796471.db2.gz DVSKJUOUJPRWIR-UHFFFAOYSA-N 1 0 348.494 4.187 20 10 EICDRO Cc1cc(O)c(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1Cl ZINC001179887935 1050802628 /nfs/dbraw/zinc/80/26/28/1050802628.db2.gz YMWHJDCQLMIBAY-GOSISDBHSA-N 1 0 344.886 4.060 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(Br)ccc1O ZINC000691849010 1050823381 /nfs/dbraw/zinc/82/33/81/1050823381.db2.gz SSUGJPYEOVRDCQ-JSGCOSHPSA-N 1 0 342.277 4.153 20 10 EICDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098851 1050886059 /nfs/dbraw/zinc/88/60/59/1050886059.db2.gz PUNVREBDPLIWKT-QZTJIDSGSA-N 1 0 339.426 4.230 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(N(C)C)cc1C ZINC001180108715 1050888609 /nfs/dbraw/zinc/88/86/09/1050888609.db2.gz XGVGCFYAJSGTDD-UHFFFAOYSA-N 1 0 342.483 4.100 20 10 EICDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC001180158613 1050905061 /nfs/dbraw/zinc/90/50/61/1050905061.db2.gz YKAQKGJTWOVQQC-KRWDZBQOSA-N 1 0 329.440 4.383 20 10 EICDRO Oc1cc(Cl)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC001180228862 1050922651 /nfs/dbraw/zinc/92/26/51/1050922651.db2.gz CZDICFYAJNDUGK-UHFFFAOYSA-N 1 0 345.870 4.474 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289285 1050955817 /nfs/dbraw/zinc/95/58/17/1050955817.db2.gz YSEZUMSMUVTSEQ-GHTZIAJQSA-N 1 0 338.495 4.186 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000070975606 1050982583 /nfs/dbraw/zinc/98/25/83/1050982583.db2.gz AXEZRXFAQCFMBN-UHFFFAOYSA-N 1 0 341.382 4.335 20 10 EICDRO Oc1ccccc1C[N@H+](CCc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC001180430048 1050987093 /nfs/dbraw/zinc/98/70/93/1050987093.db2.gz KXMRVRNCNOYNSA-IBGZPJMESA-N 1 0 345.870 4.269 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)ccc3cccnc32)c1 ZINC000775375197 1051156645 /nfs/dbraw/zinc/15/66/45/1051156645.db2.gz JWMVQAPVFHHWKA-LBPRGKRZSA-N 1 0 342.826 4.453 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C)cc3Cl)CC2)cc1 ZINC001190445231 1051174551 /nfs/dbraw/zinc/17/45/51/1051174551.db2.gz FJSGPMJAQCCPAN-UHFFFAOYSA-N 1 0 344.886 4.369 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1O ZINC001181214267 1051187845 /nfs/dbraw/zinc/18/78/45/1051187845.db2.gz UIPAFDAMGBTSMS-GOSISDBHSA-N 1 0 335.806 4.125 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccccc2SC)c1 ZINC001181543578 1051247676 /nfs/dbraw/zinc/24/76/76/1051247676.db2.gz GBDFFMRYJDJRHS-KGLIPLIRSA-N 1 0 331.481 4.405 20 10 EICDRO CCC[C@H](C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566595 1051260193 /nfs/dbraw/zinc/26/01/93/1051260193.db2.gz YDBBGHKFBVDYIN-LJQANCHMSA-N 1 0 330.472 4.163 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000775410262 1051274420 /nfs/dbraw/zinc/27/44/20/1051274420.db2.gz RPAQFDGICNVNOK-INIZCTEOSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1O ZINC000775415984 1051290292 /nfs/dbraw/zinc/29/02/92/1051290292.db2.gz SJYPLJVCHFRAJZ-WBVHZDCISA-N 1 0 339.357 4.185 20 10 EICDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000775416585 1051292334 /nfs/dbraw/zinc/29/23/34/1051292334.db2.gz HVDCZUJTCQSNJY-XAUMDUMWSA-N 1 0 334.479 4.282 20 10 EICDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000183801409 1051441488 /nfs/dbraw/zinc/44/14/88/1051441488.db2.gz LNHRJEYYNYQIKK-MRXNPFEDSA-N 1 0 341.451 4.099 20 10 EICDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774256104 1051529487 /nfs/dbraw/zinc/52/94/87/1051529487.db2.gz DZYYTZMDARAPMY-GTNSWQLSSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271277 1051540495 /nfs/dbraw/zinc/54/04/95/1051540495.db2.gz IOLAIGPHQILJRY-FVSZBFQWSA-N 1 0 342.266 4.307 20 10 EICDRO CC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccccc1O ZINC000271754366 1051551404 /nfs/dbraw/zinc/55/14/04/1051551404.db2.gz YKDUEQMVXSVHPB-GFCCVEGCSA-N 1 0 326.259 4.457 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000775484341 1051555684 /nfs/dbraw/zinc/55/56/84/1051555684.db2.gz BRZCWLOGGBKXJV-RDJZCZTQSA-N 1 0 340.250 4.473 20 10 EICDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490225 1051572879 /nfs/dbraw/zinc/57/28/79/1051572879.db2.gz AIRBYUJCEYQYKC-SWLSCSKDSA-N 1 0 345.314 4.472 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)c1O ZINC001182452865 1051579162 /nfs/dbraw/zinc/57/91/62/1051579162.db2.gz PSKAJZAMSSOWQN-OAQYLSRUSA-N 1 0 343.442 4.446 20 10 EICDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484016 1051611186 /nfs/dbraw/zinc/61/11/86/1051611186.db2.gz RRVGLIVHBSCESX-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccccc1O ZINC000775500078 1051621765 /nfs/dbraw/zinc/62/17/65/1051621765.db2.gz NRYVCJZWNNPUNS-SFHVURJKSA-N 1 0 348.450 4.002 20 10 EICDRO CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)c1 ZINC000775498431 1051622517 /nfs/dbraw/zinc/62/25/17/1051622517.db2.gz ZCYVAPUKVURCOX-KRWDZBQOSA-N 1 0 346.858 4.036 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1O ZINC000775498522 1051631144 /nfs/dbraw/zinc/63/11/44/1051631144.db2.gz MKAVUTWXLNQQJT-INIZCTEOSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1O ZINC000775508556 1051639070 /nfs/dbraw/zinc/63/90/70/1051639070.db2.gz VQJQHGZCWGQILZ-RDJZCZTQSA-N 1 0 331.847 4.262 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1cc(Cl)ccc1O ZINC000775504054 1051644918 /nfs/dbraw/zinc/64/49/18/1051644918.db2.gz QVIYBBJVRAOTSE-MRXNPFEDSA-N 1 0 329.831 4.243 20 10 EICDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Cl)ccc1O ZINC000775503697 1051645341 /nfs/dbraw/zinc/64/53/41/1051645341.db2.gz MRAWVSGMXOVVET-INIZCTEOSA-N 1 0 332.831 4.115 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1O ZINC000775513473 1051650935 /nfs/dbraw/zinc/65/09/35/1051650935.db2.gz ZNCGBWUCOMVRAC-QAPCUYQASA-N 1 0 330.859 4.365 20 10 EICDRO CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cc(Cl)ccc1O ZINC000775513101 1051660375 /nfs/dbraw/zinc/66/03/75/1051660375.db2.gz NTJFTCLKJCWIRP-KRWDZBQOSA-N 1 0 343.858 4.285 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1O ZINC000775514112 1051662167 /nfs/dbraw/zinc/66/21/67/1051662167.db2.gz WESCPAGUUGXYSF-ZWKOTPCHSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000775513725 1051662223 /nfs/dbraw/zinc/66/22/23/1051662223.db2.gz LGCMUOIWTWHHKA-HUBLWGQQSA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1O ZINC000775514110 1051662399 /nfs/dbraw/zinc/66/23/99/1051662399.db2.gz WESCPAGUUGXYSF-QZTJIDSGSA-N 1 0 332.875 4.389 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(SC)s2)cc1 ZINC001182726582 1051689460 /nfs/dbraw/zinc/68/94/60/1051689460.db2.gz VUOUHRLEDMVRSP-UHFFFAOYSA-N 1 0 336.526 4.047 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N1CCCCC1 ZINC001192301570 1051696081 /nfs/dbraw/zinc/69/60/81/1051696081.db2.gz AVDUCLZCZQJCID-OAQYLSRUSA-N 1 0 342.527 4.234 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccccc1O ZINC000775527027 1051713728 /nfs/dbraw/zinc/71/37/28/1051713728.db2.gz VNWUKJWJRUTURC-RDJZCZTQSA-N 1 0 329.440 4.157 20 10 EICDRO CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775531893 1051747622 /nfs/dbraw/zinc/74/76/22/1051747622.db2.gz OZSCYARGIYAXOX-QGZVFWFLSA-N 1 0 335.879 4.069 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC001183355116 1051826934 /nfs/dbraw/zinc/82/69/34/1051826934.db2.gz KTFWIBZCOFLPIZ-UONOGXRCSA-N 1 0 346.858 4.422 20 10 EICDRO CC[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1O ZINC000775555495 1051840327 /nfs/dbraw/zinc/84/03/27/1051840327.db2.gz XBYDFBAINMDYDM-SFHVURJKSA-N 1 0 326.415 4.306 20 10 EICDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001176036459 1051881501 /nfs/dbraw/zinc/88/15/01/1051881501.db2.gz MPUDCRIJWJXYSS-XMSQKQJNSA-N 1 0 336.479 4.106 20 10 EICDRO C[NH+](C)Cc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001176292863 1051980575 /nfs/dbraw/zinc/98/05/75/1051980575.db2.gz XWAGWHYXPAFGHU-UHFFFAOYSA-N 1 0 332.451 4.382 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532860 1052115223 /nfs/dbraw/zinc/11/52/23/1052115223.db2.gz NPBBFYMPWUTBNM-HMFYCAOWSA-N 1 0 338.495 4.493 20 10 EICDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000780714308 1052164023 /nfs/dbraw/zinc/16/40/23/1052164023.db2.gz RHAHEWAMXMETCQ-MRXNPFEDSA-N 1 0 341.524 4.048 20 10 EICDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001194551843 1052168046 /nfs/dbraw/zinc/16/80/46/1052168046.db2.gz NAGMZQBEJVBNEG-INIZCTEOSA-N 1 0 343.902 4.117 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000184835721 1052246309 /nfs/dbraw/zinc/24/63/09/1052246309.db2.gz HVNLGJUXPADZTD-RDJZCZTQSA-N 1 0 330.497 4.250 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1O)O[C@@H](C)C2 ZINC000184898144 1052297808 /nfs/dbraw/zinc/29/78/08/1052297808.db2.gz MDRKAJRIQNRVNN-QWHCGFSZSA-N 1 0 345.414 4.104 20 10 EICDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000184916276 1052307911 /nfs/dbraw/zinc/30/79/11/1052307911.db2.gz CHIXOCNSBWZCGJ-AWEZNQCLSA-N 1 0 334.419 4.355 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)c1 ZINC000184920558 1052309266 /nfs/dbraw/zinc/30/92/66/1052309266.db2.gz BMIREMYCAZIKQB-AWEZNQCLSA-N 1 0 337.419 4.413 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cc(F)ccc1O ZINC000185006639 1052359473 /nfs/dbraw/zinc/35/94/73/1052359473.db2.gz MIXBOEUASSLUFX-ZDUSSCGKSA-N 1 0 330.403 4.099 20 10 EICDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185046272 1052378673 /nfs/dbraw/zinc/37/86/73/1052378673.db2.gz ZCVQABQIUIYJSQ-OAHLLOKOSA-N 1 0 340.467 4.304 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC3CCCC3)nc2)c1 ZINC000185056941 1052388920 /nfs/dbraw/zinc/38/89/20/1052388920.db2.gz FYLZGDIWASJHOG-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1cc(F)ccc1O ZINC000185072998 1052392610 /nfs/dbraw/zinc/39/26/10/1052392610.db2.gz YNIPDWVYOLDEGV-MRXNPFEDSA-N 1 0 331.431 4.221 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc2ccccc2c1O ZINC000185095706 1052410082 /nfs/dbraw/zinc/41/00/82/1052410082.db2.gz BLWPWRWBKXZROH-YJYMSZOUSA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1 ZINC000185111743 1052435457 /nfs/dbraw/zinc/43/54/57/1052435457.db2.gz HLYCJDNVHNKWCB-INIZCTEOSA-N 1 0 338.451 4.068 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)c1 ZINC000185138796 1052463295 /nfs/dbraw/zinc/46/32/95/1052463295.db2.gz MUMXWVRFXXKLMD-GFCCVEGCSA-N 1 0 329.371 4.445 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000185245441 1052549446 /nfs/dbraw/zinc/54/94/46/1052549446.db2.gz ZUTQJTIWQTZIDD-DLBZAZTESA-N 1 0 344.524 4.325 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N2CCCC2)o1 ZINC000185298127 1052571526 /nfs/dbraw/zinc/57/15/26/1052571526.db2.gz YFKBLKYLNBDACB-SJLPKXTDSA-N 1 0 328.456 4.090 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000763820570 1052587568 /nfs/dbraw/zinc/58/75/68/1052587568.db2.gz LAUAEBIYGBWAOI-UHFFFAOYSA-N 1 0 346.421 4.345 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c(O)c1 ZINC000185721261 1052685248 /nfs/dbraw/zinc/68/52/48/1052685248.db2.gz JPKDHZYTDRGPPD-GUYCJALGSA-N 1 0 327.449 4.300 20 10 EICDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185836821 1052777968 /nfs/dbraw/zinc/77/79/68/1052777968.db2.gz BFLLBZGGWRJWJM-QWQRMKEZSA-N 1 0 325.408 4.301 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1O ZINC000186147647 1052949740 /nfs/dbraw/zinc/94/97/40/1052949740.db2.gz UWJLZYHIUJYBOS-CKJXQJPGSA-N 1 0 335.447 4.188 20 10 EICDRO COc1cc(C[NH2+]C(C)(C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850178586 1053082099 /nfs/dbraw/zinc/08/20/99/1053082099.db2.gz CTYVJRHVXWHHTA-UHFFFAOYSA-N 1 0 348.512 4.488 20 10 EICDRO COc1cc(C[NH2+]CCCc2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850180248 1053083172 /nfs/dbraw/zinc/08/31/72/1053083172.db2.gz REANZWFDYXCYLU-UHFFFAOYSA-N 1 0 346.471 4.026 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850195959 1053083760 /nfs/dbraw/zinc/08/37/60/1053083760.db2.gz KRHOEMNLDGFAEW-INIZCTEOSA-N 1 0 347.499 4.280 20 10 EICDRO COc1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)c(O)c(C(C)(C)C)c1 ZINC000850208660 1053087730 /nfs/dbraw/zinc/08/77/30/1053087730.db2.gz XFZQTFNEEJXYNN-UHFFFAOYSA-N 1 0 340.467 4.256 20 10 EICDRO COc1cc(C[NH2+]C[C@@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850246074 1053096667 /nfs/dbraw/zinc/09/66/67/1053096667.db2.gz CJAXBBISGBYYGF-GFCCVEGCSA-N 1 0 334.485 4.048 20 10 EICDRO CCCc1nc(C)c(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000850308779 1053109678 /nfs/dbraw/zinc/10/96/78/1053109678.db2.gz IVDUYCRDNUSWJS-UHFFFAOYSA-N 1 0 346.471 4.237 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764463666 1053115285 /nfs/dbraw/zinc/11/52/85/1053115285.db2.gz PAXZECXKFRYBMA-LPHOPBHVSA-N 1 0 343.540 4.302 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000850377422 1053154119 /nfs/dbraw/zinc/15/41/19/1053154119.db2.gz GTEPKUKUGKDIGY-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764528175 1053156198 /nfs/dbraw/zinc/15/61/98/1053156198.db2.gz OKXKBEVRMQMKAC-VQTJNVASSA-N 1 0 341.499 4.223 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1C ZINC000850402481 1053168451 /nfs/dbraw/zinc/16/84/51/1053168451.db2.gz MDTOALVWQDBYLB-HNNXBMFYSA-N 1 0 340.250 4.139 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000764528862 1053173958 /nfs/dbraw/zinc/17/39/58/1053173958.db2.gz VWKYBOZWQOJOCQ-YLJYHZDGSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000764559050 1053174648 /nfs/dbraw/zinc/17/46/48/1053174648.db2.gz ONYSNNYHQCRICK-XMSQKQJNSA-N 1 0 338.495 4.451 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764574416 1053198605 /nfs/dbraw/zinc/19/86/05/1053198605.db2.gz RRUIWXUGTCIKPQ-MSOLQXFVSA-N 1 0 331.529 4.158 20 10 EICDRO CN(c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1)C1CCCCC1 ZINC000850429517 1053203339 /nfs/dbraw/zinc/20/33/39/1053203339.db2.gz CZBCPAWXNNKDKR-HXUWFJFHSA-N 1 0 338.499 4.277 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850430952 1053203599 /nfs/dbraw/zinc/20/35/99/1053203599.db2.gz ROOYJNVXQZXHRB-AWEZNQCLSA-N 1 0 328.431 4.068 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2noc3ccccc32)c1O ZINC000850481695 1053252134 /nfs/dbraw/zinc/25/21/34/1053252134.db2.gz AQGQUHOBCCKZPC-GFCCVEGCSA-N 1 0 330.815 4.389 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](CC(C)C)c3ccncc3)C2)cc1 ZINC000850489538 1053257006 /nfs/dbraw/zinc/25/70/06/1053257006.db2.gz YGKOCPNOKXPMIV-NQIIRXRSSA-N 1 0 339.483 4.046 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000850503205 1053265057 /nfs/dbraw/zinc/26/50/57/1053265057.db2.gz VCQFUBOYJRDWMZ-XXDRUXBBSA-N 1 0 348.556 4.017 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850515004 1053271657 /nfs/dbraw/zinc/27/16/57/1053271657.db2.gz TUWYZCCWJUYRPC-IERDGZPVSA-N 1 0 342.483 4.190 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850515520 1053272001 /nfs/dbraw/zinc/27/20/01/1053272001.db2.gz YALAEJVEUVMHLX-SJKOYZFVSA-N 1 0 335.831 4.093 20 10 EICDRO C[C@@H]([NH2+]CCCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764745771 1053290700 /nfs/dbraw/zinc/29/07/00/1053290700.db2.gz SLHLFLCGDYSWAS-LJQANCHMSA-N 1 0 338.495 4.197 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000850539223 1053302722 /nfs/dbraw/zinc/30/27/22/1053302722.db2.gz CCABCQWYWIREQR-TVQRCGJNSA-N 1 0 328.250 4.003 20 10 EICDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc2c(cc1O)CCCC2 ZINC000850549792 1053307526 /nfs/dbraw/zinc/30/75/26/1053307526.db2.gz JYJYOLRRBCJQGN-CQSZACIVSA-N 1 0 339.483 4.123 20 10 EICDRO CC(C)[C@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850555159 1053309105 /nfs/dbraw/zinc/30/91/05/1053309105.db2.gz MKXDSMCGDLAVCV-PWSRMUCDSA-N 1 0 343.442 4.427 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554948 1053310379 /nfs/dbraw/zinc/31/03/79/1053310379.db2.gz IQDASXJEOKVVGX-GDBMZVCRSA-N 1 0 338.234 4.010 20 10 EICDRO CC[C@H]([NH2+]CC1SCCS1)c1ccc(C(F)(F)F)cc1O ZINC000850562724 1053317465 /nfs/dbraw/zinc/31/74/65/1053317465.db2.gz XCFPSYSGFGBSLE-NSHDSACASA-N 1 0 337.432 4.258 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850568307 1053321775 /nfs/dbraw/zinc/32/17/75/1053321775.db2.gz VEYVFUNXAMVWBC-OAQYLSRUSA-N 1 0 342.458 4.028 20 10 EICDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567488 1053323302 /nfs/dbraw/zinc/32/33/02/1053323302.db2.gz DDXRBYVUYBWNCO-GHTZIAJQSA-N 1 0 330.516 4.096 20 10 EICDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567491 1053323412 /nfs/dbraw/zinc/32/34/12/1053323412.db2.gz DDXRBYVUYBWNCO-WIYYLYMNSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572470 1053327795 /nfs/dbraw/zinc/32/77/95/1053327795.db2.gz KMGJAIUGGPGUKB-QFBILLFUSA-N 1 0 335.451 4.150 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650370 1053368441 /nfs/dbraw/zinc/36/84/41/1053368441.db2.gz YYIGCAPLNDPTMU-SCLBCKFNSA-N 1 0 327.424 4.282 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1O ZINC000794795020 1053379152 /nfs/dbraw/zinc/37/91/52/1053379152.db2.gz OAWGBVCHZKOGAS-RBUKOAKNSA-N 1 0 330.447 4.183 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1O ZINC000776498352 1053380047 /nfs/dbraw/zinc/38/00/47/1053380047.db2.gz KDPKUSQEULFJOF-INIZCTEOSA-N 1 0 347.842 4.448 20 10 EICDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2O)c1 ZINC000794796430 1053380097 /nfs/dbraw/zinc/38/00/97/1053380097.db2.gz KMROFSASWWXJGG-LJQANCHMSA-N 1 0 340.467 4.081 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1O ZINC000794803137 1053394427 /nfs/dbraw/zinc/39/44/27/1053394427.db2.gz QPPKRNHFVCOHLO-CTNGQTDRSA-N 1 0 343.467 4.262 20 10 EICDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000775652013 1053396757 /nfs/dbraw/zinc/39/67/57/1053396757.db2.gz DUBOXLZCXIHAPB-UHFFFAOYSA-N 1 0 336.907 4.134 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C)cc1O ZINC000794804050 1053397291 /nfs/dbraw/zinc/39/72/91/1053397291.db2.gz LVKZEKDURGJFJQ-CRAIPNDOSA-N 1 0 344.524 4.250 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794807820 1053414860 /nfs/dbraw/zinc/41/48/60/1053414860.db2.gz LVSPPRYKRQFTAM-QAPCUYQASA-N 1 0 343.467 4.390 20 10 EICDRO CC[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)cc1O ZINC000794810988 1053415872 /nfs/dbraw/zinc/41/58/72/1053415872.db2.gz AWDJWOPFEWZXNH-HXUWFJFHSA-N 1 0 339.483 4.016 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794808831 1053420016 /nfs/dbraw/zinc/42/00/16/1053420016.db2.gz CLQIGUHFRXUVED-HNNXBMFYSA-N 1 0 336.476 4.045 20 10 EICDRO Cc1cccc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1O ZINC000775659011 1053420192 /nfs/dbraw/zinc/42/01/92/1053420192.db2.gz TWXNPYQGIYYUMU-UHFFFAOYSA-N 1 0 335.451 4.155 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1O ZINC000794815358 1053422238 /nfs/dbraw/zinc/42/22/38/1053422238.db2.gz KEGXUAYTCQENQI-BEFAXECRSA-N 1 0 336.439 4.083 20 10 EICDRO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1O ZINC000109770874 1053422473 /nfs/dbraw/zinc/42/24/73/1053422473.db2.gz VTCZSAMGMNSTMA-HNNXBMFYSA-N 1 0 334.419 4.004 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000794811846 1053430035 /nfs/dbraw/zinc/43/00/35/1053430035.db2.gz ZEMZWZRFIMILKK-IUODEOHRSA-N 1 0 325.412 4.084 20 10 EICDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765080616 1053438410 /nfs/dbraw/zinc/43/84/10/1053438410.db2.gz RBDQCSZLVDFPLE-KGLIPLIRSA-N 1 0 344.421 4.066 20 10 EICDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000775667485 1053457102 /nfs/dbraw/zinc/45/71/02/1053457102.db2.gz JETCMEMDOFYQQK-FPOVZHCZSA-N 1 0 325.452 4.300 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247578 1053475853 /nfs/dbraw/zinc/47/58/53/1053475853.db2.gz AZGMNGIJPGOSTO-OALUTQOASA-N 1 0 328.504 4.105 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247586 1053476099 /nfs/dbraw/zinc/47/60/99/1053476099.db2.gz AZGMNGIJPGOSTO-RTBURBONSA-N 1 0 328.504 4.105 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000765250419 1053476765 /nfs/dbraw/zinc/47/67/65/1053476765.db2.gz LZYUACAXCXZFHJ-QFBILLFUSA-N 1 0 328.504 4.105 20 10 EICDRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765262549 1053480823 /nfs/dbraw/zinc/48/08/23/1053480823.db2.gz RBBIWSIGJCYBRA-CABCVRRESA-N 1 0 348.487 4.006 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000765278269 1053487719 /nfs/dbraw/zinc/48/77/19/1053487719.db2.gz XULUKVJTZDIIHH-JOCHJYFZSA-N 1 0 337.511 4.462 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CCCCC1 ZINC000765298908 1053497165 /nfs/dbraw/zinc/49/71/65/1053497165.db2.gz XYPLUTLBZCWZTR-QFIPXVFZSA-N 1 0 344.543 4.344 20 10 EICDRO Cc1scc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432253 1053503103 /nfs/dbraw/zinc/50/31/03/1053503103.db2.gz STFPFJMDGOMRLS-HNNXBMFYSA-N 1 0 330.497 4.052 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000765332515 1053508471 /nfs/dbraw/zinc/50/84/71/1053508471.db2.gz QLBIXTZCJSRULF-MRXNPFEDSA-N 1 0 327.472 4.177 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000775680891 1053553706 /nfs/dbraw/zinc/55/37/06/1053553706.db2.gz KMMXFQSJXJJDEW-UHFFFAOYSA-N 1 0 333.378 4.059 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)c2cccc(OC)c2OC)c1 ZINC000865759451 1053586352 /nfs/dbraw/zinc/58/63/52/1053586352.db2.gz WJMYXSOYCNATBJ-QGZVFWFLSA-N 1 0 345.439 4.049 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)cc1OC ZINC000775704347 1053619049 /nfs/dbraw/zinc/61/90/49/1053619049.db2.gz BEZOSABCULWCMX-CYBMUJFWSA-N 1 0 349.858 4.126 20 10 EICDRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236133 1053665988 /nfs/dbraw/zinc/66/59/88/1053665988.db2.gz JXTNOIRHUDAWFA-JKSUJKDBSA-N 1 0 340.467 4.365 20 10 EICDRO CC[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754941 1053668621 /nfs/dbraw/zinc/66/86/21/1053668621.db2.gz RKTKSALUYRBSST-FPOVZHCZSA-N 1 0 330.516 4.314 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000866408748 1053716731 /nfs/dbraw/zinc/71/67/31/1053716731.db2.gz CWEAHRAFNQYLHQ-SJKOYZFVSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000866407912 1053718112 /nfs/dbraw/zinc/71/81/12/1053718112.db2.gz YTSZGKLZRAEDIN-HOTGVXAUSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C)cc1O ZINC000866423247 1053727499 /nfs/dbraw/zinc/72/74/99/1053727499.db2.gz YKFLJNXVGCSAAD-IBGZPJMESA-N 1 0 341.451 4.161 20 10 EICDRO CC[C@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866511861 1053761684 /nfs/dbraw/zinc/76/16/84/1053761684.db2.gz UUJMADUDOVNKBF-KRWDZBQOSA-N 1 0 327.403 4.274 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000866536373 1053773259 /nfs/dbraw/zinc/77/32/59/1053773259.db2.gz OBHSVHXUZSGUAY-SGMGOOAPSA-N 1 0 329.362 4.196 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612218 1053804298 /nfs/dbraw/zinc/80/42/98/1053804298.db2.gz FGRDPCZQPRWVHM-ZANVPECISA-N 1 0 330.334 4.150 20 10 EICDRO C[C@@H]([NH2+]Cc1noc2cc(F)ccc21)c1cc2c(cc1O)CCCC2 ZINC000866612494 1053805452 /nfs/dbraw/zinc/80/54/52/1053805452.db2.gz KCBYWSROVMASCT-GFCCVEGCSA-N 1 0 340.398 4.402 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCCC2)cc1 ZINC000765610493 1053806628 /nfs/dbraw/zinc/80/66/28/1053806628.db2.gz VMXITAMWQMWZKR-KRWDZBQOSA-N 1 0 336.479 4.463 20 10 EICDRO C[C@@H]([NH2+]CCCc1ccccc1Br)c1ccccc1O ZINC001197003851 1053820546 /nfs/dbraw/zinc/82/05/46/1053820546.db2.gz KVBFDAAHRQGONF-CYBMUJFWSA-N 1 0 334.257 4.438 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000765641336 1053828329 /nfs/dbraw/zinc/82/83/29/1053828329.db2.gz GABHUKMFTFOOTO-CYBMUJFWSA-N 1 0 348.874 4.274 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@H]3C)CC2)cc1 ZINC000765637831 1053829051 /nfs/dbraw/zinc/82/90/51/1053829051.db2.gz HXAVUVMKHNDJGB-ZHRRBRCNSA-N 1 0 336.479 4.187 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3ccccc3C)CC2)cc1 ZINC000765639341 1053829451 /nfs/dbraw/zinc/82/94/51/1053829451.db2.gz WUTNBMRZCOHJBF-GOSISDBHSA-N 1 0 338.495 4.193 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000112541426 1053839125 /nfs/dbraw/zinc/83/91/25/1053839125.db2.gz BEBCYFRKJFEDJD-AWEZNQCLSA-N 1 0 346.421 4.293 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000113332876 1053924221 /nfs/dbraw/zinc/92/42/21/1053924221.db2.gz YRJQFQDOZCIDMQ-UHFFFAOYSA-N 1 0 339.435 4.031 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000776816249 1053944430 /nfs/dbraw/zinc/94/44/30/1053944430.db2.gz OVYSZELYLYVUNV-HNNXBMFYSA-N 1 0 340.364 4.327 20 10 EICDRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccc1OC ZINC000122762319 1054034855 /nfs/dbraw/zinc/03/48/55/1054034855.db2.gz BXOMHRLDDURPDW-MRXNPFEDSA-N 1 0 342.483 4.067 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000114506056 1054096659 /nfs/dbraw/zinc/09/66/59/1054096659.db2.gz KLVSBXKBYCHOSK-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)N2CCCCC2)cc1F ZINC001198942782 1054309177 /nfs/dbraw/zinc/30/91/77/1054309177.db2.gz DYVGNVJGRYHCTB-UHFFFAOYSA-N 1 0 335.511 4.026 20 10 EICDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776952393 1054338324 /nfs/dbraw/zinc/33/83/24/1054338324.db2.gz INBLKCWIAOTCTC-TZIWHRDSSA-N 1 0 330.516 4.360 20 10 EICDRO FC(F)(F)Oc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199077980 1054342009 /nfs/dbraw/zinc/34/20/09/1054342009.db2.gz MZFDWIKBFVGTPM-UHFFFAOYSA-N 1 0 337.341 4.200 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000115629383 1054366780 /nfs/dbraw/zinc/36/67/80/1054366780.db2.gz AYFBGJICFZMPGL-UHFFFAOYSA-N 1 0 341.474 4.090 20 10 EICDRO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858010337 1054394844 /nfs/dbraw/zinc/39/48/44/1054394844.db2.gz GWBRFGSCXBEHEM-IBGZPJMESA-N 1 0 338.451 4.016 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000858118183 1054421180 /nfs/dbraw/zinc/42/11/80/1054421180.db2.gz QVTXEKQAZJGGLN-OAHLLOKOSA-N 1 0 336.204 4.071 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+](Cc1cncnc1)C1CCCC1 ZINC000123983242 1054425086 /nfs/dbraw/zinc/42/50/86/1054425086.db2.gz VLMFBHYKAQHOLE-UHFFFAOYSA-N 1 0 333.435 4.280 20 10 EICDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1c(O)cccc1Br ZINC000858176308 1054431887 /nfs/dbraw/zinc/43/18/87/1054431887.db2.gz TWJOPUDFBNIZPZ-CYBMUJFWSA-N 1 0 349.272 4.051 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000858193653 1054435951 /nfs/dbraw/zinc/43/59/51/1054435951.db2.gz YZCRIFQHUKNNDD-UHFFFAOYSA-N 1 0 346.215 4.212 20 10 EICDRO Cc1ncccc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858273840 1054453508 /nfs/dbraw/zinc/45/35/08/1054453508.db2.gz IKWMOTNLAOWKOU-UHFFFAOYSA-N 1 0 343.474 4.243 20 10 EICDRO Cc1cc(C[NH2+]Cc2cnc(Cl)n2C)c(C)n1-c1cccc(C)c1 ZINC000858292459 1054455004 /nfs/dbraw/zinc/45/50/04/1054455004.db2.gz ACGOUXZSBQYUOZ-UHFFFAOYSA-N 1 0 342.874 4.079 20 10 EICDRO c1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199751573 1054461316 /nfs/dbraw/zinc/46/13/16/1054461316.db2.gz QYAKLFLFRVRVJG-UNMCSNQZSA-N 1 0 337.463 4.269 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000858330425 1054466894 /nfs/dbraw/zinc/46/68/94/1054466894.db2.gz UUNSLFRYOPYAQR-UHFFFAOYSA-N 1 0 339.357 4.186 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000873148651 1054491947 /nfs/dbraw/zinc/49/19/47/1054491947.db2.gz FYNXOBJBEMINQA-CQSZACIVSA-N 1 0 340.423 4.481 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1Oc1cccnc1 ZINC001199934564 1054501187 /nfs/dbraw/zinc/50/11/87/1054501187.db2.gz ZYZPXSUUTOHFRQ-UHFFFAOYSA-N 1 0 346.430 4.407 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000858509418 1054504915 /nfs/dbraw/zinc/50/49/15/1054504915.db2.gz WDJNZVDFTPHZQW-BRWVUGGUSA-N 1 0 335.488 4.425 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873186482 1054507225 /nfs/dbraw/zinc/50/72/25/1054507225.db2.gz PAGCPDPSFOWGSY-NSHDSACASA-N 1 0 340.345 4.056 20 10 EICDRO C[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000873287913 1054521301 /nfs/dbraw/zinc/52/13/01/1054521301.db2.gz OGWYLTLJWOQHJX-HNNXBMFYSA-N 1 0 327.447 4.249 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccns1 ZINC000858576000 1054521815 /nfs/dbraw/zinc/52/18/15/1054521815.db2.gz HCLNXQLJOUZRCG-RKDXNWHRSA-N 1 0 327.247 4.023 20 10 EICDRO COc1ccc(C[NH2+]Cc2sccc2Br)cc1C ZINC000105467850 1054522965 /nfs/dbraw/zinc/52/29/65/1054522965.db2.gz HYDAMBUTKVPNKS-UHFFFAOYSA-N 1 0 326.259 4.117 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000776174808 1054802608 /nfs/dbraw/zinc/80/26/08/1054802608.db2.gz GRXZUXJQNNUYEC-OAHLLOKOSA-N 1 0 346.641 4.176 20 10 EICDRO CC(C)Nc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001201497555 1054820559 /nfs/dbraw/zinc/82/05/59/1054820559.db2.gz IQRRNDSJZGMWBQ-UHFFFAOYSA-N 1 0 339.483 4.125 20 10 EICDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCCc2ccccc2)C1 ZINC001201663799 1054879621 /nfs/dbraw/zinc/87/96/21/1054879621.db2.gz LCCAKLHOGVFKKL-UHFFFAOYSA-N 1 0 334.463 4.178 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742404 1054893150 /nfs/dbraw/zinc/89/31/50/1054893150.db2.gz NTQZMQSHRXWGSU-BOYDRYHPSA-N 1 0 340.442 4.408 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1C ZINC001201786224 1054917355 /nfs/dbraw/zinc/91/73/55/1054917355.db2.gz GRROKRQLRQGGJQ-WBVHZDCISA-N 1 0 333.497 4.447 20 10 EICDRO Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876630903 1054943156 /nfs/dbraw/zinc/94/31/56/1054943156.db2.gz NJBSDOKHAFLKPR-RYUDHWBXSA-N 1 0 341.295 4.263 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)cc1C ZINC001202031418 1055010817 /nfs/dbraw/zinc/01/08/17/1055010817.db2.gz JEEUJIZDSAGTSJ-LAUBAEHRSA-N 1 0 326.484 4.093 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)c1nc(C(F)(F)F)cs1 ZINC000877067944 1055012139 /nfs/dbraw/zinc/01/21/39/1055012139.db2.gz JYINPUGCJHJQFM-NSHDSACASA-N 1 0 330.375 4.417 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)n1 ZINC000862245968 1055033191 /nfs/dbraw/zinc/03/31/91/1055033191.db2.gz DCMMTALASHFTRP-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)n1 ZINC000862245967 1055035872 /nfs/dbraw/zinc/03/58/72/1055035872.db2.gz DCMMTALASHFTRP-INIZCTEOSA-N 1 0 347.256 4.195 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000777243112 1055041748 /nfs/dbraw/zinc/04/17/48/1055041748.db2.gz RJJYYEURWPKRJT-QWHCGFSZSA-N 1 0 344.833 4.015 20 10 EICDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202133947 1055045688 /nfs/dbraw/zinc/04/56/88/1055045688.db2.gz CAJSYKAOYRRUIS-DOTOQJQBSA-N 1 0 331.460 4.111 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1O ZINC000776253015 1055059401 /nfs/dbraw/zinc/05/94/01/1055059401.db2.gz IATIRIGORPDQOX-MRXNPFEDSA-N 1 0 347.256 4.099 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CC[P@@](C)(=O)OCC ZINC000877479209 1055061246 /nfs/dbraw/zinc/06/12/46/1055061246.db2.gz UNYYEFGTKCQUAU-NYHFZMIOSA-N 1 0 326.421 4.085 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2N)c1 ZINC000877532724 1055073200 /nfs/dbraw/zinc/07/32/00/1055073200.db2.gz GWCZOWHXYLWJDJ-SECBINFHSA-N 1 0 341.238 4.141 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)c(O)c1 ZINC000877543055 1055076344 /nfs/dbraw/zinc/07/63/44/1055076344.db2.gz VXZSMZDYBPITAK-MRXNPFEDSA-N 1 0 338.451 4.068 20 10 EICDRO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1O ZINC000877756290 1055114067 /nfs/dbraw/zinc/11/40/67/1055114067.db2.gz FLSDLOZQRJSOAQ-LLVKDONJSA-N 1 0 349.356 4.149 20 10 EICDRO CC(C)n1ncc2cc(C[NH2+][C@H](C)c3ccccc3O)c(Cl)nc21 ZINC000877756568 1055114308 /nfs/dbraw/zinc/11/43/08/1055114308.db2.gz SSYLYVLYUNPTIT-GFCCVEGCSA-N 1 0 344.846 4.222 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O ZINC000877757998 1055116328 /nfs/dbraw/zinc/11/63/28/1055116328.db2.gz CELGYGNTWGQOBC-JTQLQIEISA-N 1 0 340.301 4.170 20 10 EICDRO CC[C@H]([NH2+]CCCCSC)c1cc(Br)ccc1O ZINC000119185416 1055126768 /nfs/dbraw/zinc/12/67/68/1055126768.db2.gz GSCBWIAPAXOMQY-ZDUSSCGKSA-N 1 0 332.307 4.339 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000877828238 1055130135 /nfs/dbraw/zinc/13/01/35/1055130135.db2.gz IDHPTIPJSFUBQE-ZDUSSCGKSA-N 1 0 337.389 4.326 20 10 EICDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202323483 1055140108 /nfs/dbraw/zinc/14/01/08/1055140108.db2.gz WWGLEHJUXWVWCH-CZUORRHYSA-N 1 0 337.305 4.328 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(N(C)C)cc1 ZINC000126839935 1055167260 /nfs/dbraw/zinc/16/72/60/1055167260.db2.gz ALYNUJSMBIGJIW-HXUWFJFHSA-N 1 0 340.515 4.235 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000119421690 1055190653 /nfs/dbraw/zinc/19/06/53/1055190653.db2.gz RKKFIZOILVDDQW-FQEVSTJZSA-N 1 0 342.508 4.466 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000776317461 1055195895 /nfs/dbraw/zinc/19/58/95/1055195895.db2.gz SUMPOHGARVPVFS-INIZCTEOSA-N 1 0 344.499 4.272 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001202474774 1055269604 /nfs/dbraw/zinc/26/96/04/1055269604.db2.gz KEDIPWMPUSAAIE-UHFFFAOYSA-N 1 0 333.357 4.190 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765781589 1055287201 /nfs/dbraw/zinc/28/72/01/1055287201.db2.gz VLTCTMSAJOGCKB-WFXMLNOXSA-N 1 0 337.511 4.239 20 10 EICDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1O ZINC000765821088 1055669686 /nfs/dbraw/zinc/66/96/86/1055669686.db2.gz YSMIPOPTMNRYAE-DIFFPNOSSA-N 1 0 340.250 4.257 20 10 EICDRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1OC ZINC000921744394 1056392053 /nfs/dbraw/zinc/39/20/53/1056392053.db2.gz UXLALDBCJGLQAK-ZDUSSCGKSA-N 1 0 345.414 4.019 20 10 EICDRO C[C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453091 1056418611 /nfs/dbraw/zinc/41/86/11/1056418611.db2.gz AYIAUQHXXSZPMG-OAHLLOKOSA-N 1 0 348.487 4.050 20 10 EICDRO CC(C)(C)c1cc(C[NH2+][C@@H](CCO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000741258601 1058186307 /nfs/dbraw/zinc/18/63/07/1058186307.db2.gz QRZZGCAIZCJNJA-SFHVURJKSA-N 1 0 333.516 4.238 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000742164144 1058525422 /nfs/dbraw/zinc/52/54/22/1058525422.db2.gz CTWFQSRYUHGKSH-SFHVURJKSA-N 1 0 347.499 4.319 20 10 EICDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000742385264 1058587287 /nfs/dbraw/zinc/58/72/87/1058587287.db2.gz VODSWHMSFOVVEF-QGZVFWFLSA-N 1 0 346.421 4.355 20 10 EICDRO CC(C)Cn1ccnc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742373012 1058599563 /nfs/dbraw/zinc/59/95/63/1058599563.db2.gz COVYEQIFKXWITJ-UHFFFAOYSA-N 1 0 335.451 4.202 20 10 EICDRO c1ccc([C@H](CC2CC2)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000742378634 1058604890 /nfs/dbraw/zinc/60/48/90/1058604890.db2.gz WSHHFAKNVRFNMG-QFIPXVFZSA-N 1 0 336.479 4.154 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000743474281 1059021968 /nfs/dbraw/zinc/02/19/68/1059021968.db2.gz RZYPIHWIUNRWBD-HOTGVXAUSA-N 1 0 328.431 4.074 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000743839550 1059140707 /nfs/dbraw/zinc/14/07/07/1059140707.db2.gz KFOIZBMPLGNMIL-FQEVSTJZSA-N 1 0 346.902 4.352 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870225 1059186602 /nfs/dbraw/zinc/18/66/02/1059186602.db2.gz MBWHMHUKGOHSHO-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870094 1059187664 /nfs/dbraw/zinc/18/76/64/1059187664.db2.gz HDVBKHRZICMTFF-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870154 1059192275 /nfs/dbraw/zinc/19/22/75/1059192275.db2.gz JIUGYGQTFULKRB-INIZCTEOSA-N 1 0 340.467 4.194 20 10 EICDRO CCC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1O ZINC000744392562 1059444528 /nfs/dbraw/zinc/44/45/28/1059444528.db2.gz TXUOEAGUAMDZSW-UHFFFAOYSA-N 1 0 344.430 4.081 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1 ZINC000744436953 1059473301 /nfs/dbraw/zinc/47/33/01/1059473301.db2.gz CLFCRYHZAOGHLK-UHFFFAOYSA-N 1 0 348.446 4.329 20 10 EICDRO OCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000744448765 1059524531 /nfs/dbraw/zinc/52/45/31/1059524531.db2.gz NXRLVCLJACBGQO-UHFFFAOYSA-N 1 0 325.452 4.092 20 10 EICDRO CC(C)[NH+](CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000746053964 1059994902 /nfs/dbraw/zinc/99/49/02/1059994902.db2.gz VSUYDGDALAHZBJ-UHFFFAOYSA-N 1 0 333.303 4.298 20 10 EICDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766361423 1060313460 /nfs/dbraw/zinc/31/34/60/1060313460.db2.gz VZZCOUQVFBUCFB-LZLYRXPVSA-N 1 0 336.495 4.264 20 10 EICDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766499417 1060407242 /nfs/dbraw/zinc/40/72/42/1060407242.db2.gz MTBJXLSDAJGPAW-WOJBJXKFSA-N 1 0 348.556 4.318 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N2CCCCCC2)cc1 ZINC000766606464 1060676653 /nfs/dbraw/zinc/67/66/53/1060676653.db2.gz ARYULQIPSMEUQP-INIZCTEOSA-N 1 0 327.447 4.452 20 10 EICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691439803 1061204471 /nfs/dbraw/zinc/20/44/71/1061204471.db2.gz KNVNSDAVUANDEU-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018553 202087249 /nfs/dbraw/zinc/08/72/49/202087249.db2.gz VJNKLQDMNJQCGA-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760162100 1032489220 /nfs/dbraw/zinc/48/92/20/1032489220.db2.gz YIUNXPYEQITASA-NSHDSACASA-N 1 0 338.282 4.492 20 10 EICDRO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1O ZINC000383167550 1018852335 /nfs/dbraw/zinc/85/23/35/1018852335.db2.gz ROMDUYXQBMEOLX-LBPRGKRZSA-N 1 0 334.204 4.241 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccccc2OC2CCCC2)c1O ZINC000237388893 1032862275 /nfs/dbraw/zinc/86/22/75/1032862275.db2.gz VXQVYCLKKJGIAT-UHFFFAOYSA-N 1 0 327.424 4.012 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000155333715 1020496980 /nfs/dbraw/zinc/49/69/80/1020496980.db2.gz OTPGFCZZXGXNPT-KXBFYZLASA-N 1 0 342.508 4.313 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000135965730 1021696510 /nfs/dbraw/zinc/69/65/10/1021696510.db2.gz YSKBRBCONLMFEP-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)ccn1 ZINC000177842262 1021740027 /nfs/dbraw/zinc/74/00/27/1021740027.db2.gz VTTUCPOPCGKQRO-QGZVFWFLSA-N 1 0 339.483 4.321 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccc(Br)cc3)ccc21 ZINC000050266796 1022131362 /nfs/dbraw/zinc/13/13/62/1022131362.db2.gz MVCUDNUWVMBDGO-UHFFFAOYSA-N 1 0 345.284 4.121 20 10 EICDRO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccc1N(C)C ZINC001167417915 1022192414 /nfs/dbraw/zinc/19/24/14/1022192414.db2.gz ZXGQRFRRURYLIZ-HXUWFJFHSA-N 1 0 326.509 4.351 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799505 1022280619 /nfs/dbraw/zinc/28/06/19/1022280619.db2.gz GKCCAZLLRIWOCX-LMNJBCLMSA-N 1 0 338.495 4.344 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)c(O)c1OC ZINC000892599328 1022415961 /nfs/dbraw/zinc/41/59/61/1022415961.db2.gz JKVORFDLHWYSQH-AWEZNQCLSA-N 1 0 345.439 4.047 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCCC1 ZINC000378348469 1022732400 /nfs/dbraw/zinc/73/24/00/1022732400.db2.gz YDEHGFOYSDFBIP-UHFFFAOYSA-N 1 0 348.450 4.122 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718539 1022805710 /nfs/dbraw/zinc/80/57/10/1022805710.db2.gz XVORDIGIMNCLRR-AUUYWEPGSA-N 1 0 328.431 4.456 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1O ZINC000182633970 1022819574 /nfs/dbraw/zinc/81/95/74/1022819574.db2.gz QOJJPBWUSQIJDA-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000182672547 1022822522 /nfs/dbraw/zinc/82/25/22/1022822522.db2.gz MJZDKMUAUOOGSY-UHFFFAOYSA-N 1 0 333.378 4.238 20 10 EICDRO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000363845162 1022846152 /nfs/dbraw/zinc/84/61/52/1022846152.db2.gz ALQOMXCFFXIRAW-PBHICJAKSA-N 1 0 327.424 4.192 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3c(C)cc(C)cc32)c1 ZINC000363862410 1022866331 /nfs/dbraw/zinc/86/63/31/1022866331.db2.gz IWLUUXMBPJBOHP-KBXCAEBGSA-N 1 0 327.424 4.192 20 10 EICDRO CCC(CC)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000236683777 1022896162 /nfs/dbraw/zinc/89/61/62/1022896162.db2.gz PWSTUMFBAOUHNI-HXUWFJFHSA-N 1 0 327.424 4.388 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]CCc1ccc(Cl)s1 ZINC000706883094 1023008552 /nfs/dbraw/zinc/00/85/52/1023008552.db2.gz AFAQDYCRTNTIIR-UHFFFAOYSA-N 1 0 346.677 4.202 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cc(F)ccc1O ZINC000185157389 1023013925 /nfs/dbraw/zinc/01/39/25/1023013925.db2.gz HFBAULBZGABDHW-UONOGXRCSA-N 1 0 342.414 4.070 20 10 EICDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)cs1 ZINC000185310767 1023028621 /nfs/dbraw/zinc/02/86/21/1023028621.db2.gz IUXTXKMGIITLOM-ZDUSSCGKSA-N 1 0 326.465 4.458 20 10 EICDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000185998972 1023089330 /nfs/dbraw/zinc/08/93/30/1023089330.db2.gz FHNYJIWIGVHDLK-QAPCUYQASA-N 1 0 327.424 4.046 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166622444 1023114092 /nfs/dbraw/zinc/11/40/92/1023114092.db2.gz DPIMDABUPSSVIB-GCJKJVERSA-N 1 0 338.495 4.319 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186853731 1023171094 /nfs/dbraw/zinc/17/10/94/1023171094.db2.gz GIZHOQFOUXOCSI-MLGOLLRUSA-N 1 0 339.357 4.398 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693386876 1023345918 /nfs/dbraw/zinc/34/59/18/1023345918.db2.gz QHOXKMOWYQJZLP-UHFFFAOYSA-N 1 0 334.204 4.070 20 10 EICDRO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)c(O)c1OC ZINC000892742867 1023361012 /nfs/dbraw/zinc/36/10/12/1023361012.db2.gz SRIVIQAMNCEMHC-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1cc(F)ccc1O ZINC000397251426 1023404463 /nfs/dbraw/zinc/40/44/63/1023404463.db2.gz GUZULXJULUIYMO-QMMMGPOBSA-N 1 0 330.222 4.206 20 10 EICDRO FC(F)(F)Oc1ccc2c(c1)CCCN2CCC[NH+]1CCCCC1 ZINC001167755438 1023649301 /nfs/dbraw/zinc/64/93/01/1023649301.db2.gz QDJGRDKSSQDEFT-UHFFFAOYSA-N 1 0 342.405 4.214 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1ccccc1O ZINC000364364914 1023682089 /nfs/dbraw/zinc/68/20/89/1023682089.db2.gz ZKOUGUVHRKVHOG-ALKREAHSSA-N 1 0 330.497 4.187 20 10 EICDRO CCO[C@@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756627302 1023822251 /nfs/dbraw/zinc/82/22/51/1023822251.db2.gz HAPOJPNTDYPNJC-LRDDRELGSA-N 1 0 344.293 4.257 20 10 EICDRO c1cc2cccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c2[nH]1 ZINC000236704623 1023849827 /nfs/dbraw/zinc/84/98/27/1023849827.db2.gz BVNQPARKNJQOFS-UHFFFAOYSA-N 1 0 337.492 4.011 20 10 EICDRO CC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1O ZINC000156429649 1023852109 /nfs/dbraw/zinc/85/21/09/1023852109.db2.gz IXXDLHIPZJHHJJ-GOSISDBHSA-N 1 0 340.398 4.470 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000236778130 1025004336 /nfs/dbraw/zinc/00/43/36/1025004336.db2.gz OLKJUJJZZGFPCH-UHFFFAOYSA-N 1 0 333.516 4.380 20 10 EICDRO CC[C@@H]([NH2+]CC1SCCS1)c1cc(Br)ccc1O ZINC000692875282 1025062509 /nfs/dbraw/zinc/06/25/09/1025062509.db2.gz ULNQNLRHCBQPBY-LLVKDONJSA-N 1 0 348.331 4.002 20 10 EICDRO CC[C@H]([NH2+]CC1SCCS1)c1cc(Br)ccc1O ZINC000692875308 1025062825 /nfs/dbraw/zinc/06/28/25/1025062825.db2.gz ULNQNLRHCBQPBY-NSHDSACASA-N 1 0 348.331 4.002 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1O ZINC000156634481 1025359534 /nfs/dbraw/zinc/35/95/34/1025359534.db2.gz WTKHHMOKUWCINO-OAHLLOKOSA-N 1 0 339.464 4.194 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000119649223 1025714271 /nfs/dbraw/zinc/71/42/71/1025714271.db2.gz DDVQJKJJZYQLRP-HXUWFJFHSA-N 1 0 334.467 4.179 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C(C)C)cc1 ZINC000182058899 1026018136 /nfs/dbraw/zinc/01/81/36/1026018136.db2.gz NYZPMVWXXOJILH-IBGZPJMESA-N 1 0 345.414 4.229 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cc(F)ccc1O ZINC000094618281 1026020945 /nfs/dbraw/zinc/02/09/45/1026020945.db2.gz ZVTDPSWUOBTYGY-QMMMGPOBSA-N 1 0 330.222 4.206 20 10 EICDRO CC(C)(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000728902039 1026337564 /nfs/dbraw/zinc/33/75/64/1026337564.db2.gz AXHZLVYKQAFQSG-UHFFFAOYSA-N 1 0 327.424 4.169 20 10 EICDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2cccs2)CCC1 ZINC000894788521 1026441577 /nfs/dbraw/zinc/44/15/77/1026441577.db2.gz RFPQTAAGRDMJQT-IBGZPJMESA-N 1 0 343.492 4.067 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000159247370 1026793780 /nfs/dbraw/zinc/79/37/80/1026793780.db2.gz GIYSIMDOCZAANC-GJZGRUSLSA-N 1 0 347.409 4.003 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)cc1 ZINC000108092870 1026795589 /nfs/dbraw/zinc/79/55/89/1026795589.db2.gz FMFGBCFSSKPJFF-UHFFFAOYSA-N 1 0 330.859 4.061 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1Cl ZINC000896103785 1027222639 /nfs/dbraw/zinc/22/26/39/1027222639.db2.gz UWGRLTHZVNBYBC-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000161403215 1027328045 /nfs/dbraw/zinc/32/80/45/1027328045.db2.gz BMUFXDHSPSPALE-NQIIRXRSSA-N 1 0 338.495 4.104 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1O ZINC000896612276 1027682069 /nfs/dbraw/zinc/68/20/69/1027682069.db2.gz JTMWWLFXGYKADB-MRXNPFEDSA-N 1 0 347.256 4.099 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000896612282 1027682795 /nfs/dbraw/zinc/68/27/95/1027682795.db2.gz JTXLGNHWUCPQBH-SFHVURJKSA-N 1 0 349.400 4.407 20 10 EICDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000237311471 1027690553 /nfs/dbraw/zinc/69/05/53/1027690553.db2.gz HYLLLVQSCVXCMT-SFHVURJKSA-N 1 0 338.495 4.493 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000475189550 1029355876 /nfs/dbraw/zinc/35/58/76/1029355876.db2.gz GUSUPOYCGUVROQ-UHFFFAOYSA-N 1 0 344.462 4.177 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000475190093 1029359672 /nfs/dbraw/zinc/35/96/72/1029359672.db2.gz JJFWAQYRBYCWBN-HNNXBMFYSA-N 1 0 346.478 4.474 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000192720658 1029369644 /nfs/dbraw/zinc/36/96/44/1029369644.db2.gz IHBQXJQSHQEMIV-NWDGAFQWSA-N 1 0 337.366 4.414 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000475190873 1029398579 /nfs/dbraw/zinc/39/85/79/1029398579.db2.gz MEWQRGOXUPLKNP-UHFFFAOYSA-N 1 0 330.435 4.167 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000840815244 1029430926 /nfs/dbraw/zinc/43/09/26/1029430926.db2.gz CNBBUTCHSPWFAT-SJORKVTESA-N 1 0 326.488 4.212 20 10 EICDRO CCN(C)c1ccc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167932764 1029626455 /nfs/dbraw/zinc/62/64/55/1029626455.db2.gz WKJOSKBXYOORTC-MAUKXSAKSA-N 1 0 341.503 4.043 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213574 1030225297 /nfs/dbraw/zinc/22/52/97/1030225297.db2.gz ALUWRZMGUIEBHD-UONOGXRCSA-N 1 0 329.271 4.024 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cc(F)ccc1O ZINC000186192771 1030255436 /nfs/dbraw/zinc/25/54/36/1030255436.db2.gz LMZHNKUPTMKSHJ-QWHCGFSZSA-N 1 0 341.386 4.036 20 10 EICDRO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168187381 1030882499 /nfs/dbraw/zinc/88/24/99/1030882499.db2.gz GCJZFNORYXUPRY-CYBMUJFWSA-N 1 0 331.843 4.131 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000527936706 1030978185 /nfs/dbraw/zinc/97/81/85/1030978185.db2.gz XNOBCLRVZHRLMT-GXFFZTMASA-N 1 0 347.768 4.005 20 10 EICDRO C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310188943 1031050883 /nfs/dbraw/zinc/05/08/83/1031050883.db2.gz PPDUJNQGZPUWLB-HXUWFJFHSA-N 1 0 344.886 4.047 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C2CC2)cn1 ZINC000528044272 1031078419 /nfs/dbraw/zinc/07/84/19/1031078419.db2.gz SPCNSYUGBREBQI-LIRRHRJNSA-N 1 0 326.440 4.215 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc(C)ccc3s2)c1 ZINC000528439345 1031523151 /nfs/dbraw/zinc/52/31/51/1031523151.db2.gz UOAUGJZCJSQCCO-LBPRGKRZSA-N 1 0 328.437 4.170 20 10 EICDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237343393 1032035758 /nfs/dbraw/zinc/03/57/58/1032035758.db2.gz UKMAFCCZDIENAH-OALUTQOASA-N 1 0 338.495 4.195 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000236960891 1033708702 /nfs/dbraw/zinc/70/87/02/1033708702.db2.gz MCMBNBNDYLVJGM-HXUWFJFHSA-N 1 0 341.499 4.053 20 10 EICDRO CC(C)n1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000178867462 1034801029 /nfs/dbraw/zinc/80/10/29/1034801029.db2.gz XCQONWDVCGNZIN-UHFFFAOYSA-N 1 0 326.488 4.086 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1O ZINC000280227348 1035206403 /nfs/dbraw/zinc/20/64/03/1035206403.db2.gz VEDMQYQBKOFDCC-KSSFIOAISA-N 1 0 338.451 4.021 20 10 EICDRO CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1O ZINC000280284205 1035221159 /nfs/dbraw/zinc/22/11/59/1035221159.db2.gz YSAHHBZVIMFJES-INIZCTEOSA-N 1 0 344.421 4.016 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274420 1035226504 /nfs/dbraw/zinc/22/65/04/1035226504.db2.gz YCBMKSLOZPYNBX-STQMWFEESA-N 1 0 348.288 4.322 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(COC)c2)cc1 ZINC000151185279 1035572186 /nfs/dbraw/zinc/57/21/86/1035572186.db2.gz QMIONCRSCXPKSF-OAHLLOKOSA-N 1 0 330.447 4.279 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163639412 1035639517 /nfs/dbraw/zinc/63/95/17/1035639517.db2.gz WEAKCTVFOOTOHU-IAGOWNOFSA-N 1 0 345.531 4.021 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)SC)c1cc(Br)ccc1O ZINC000169215046 1035844575 /nfs/dbraw/zinc/84/45/75/1035844575.db2.gz BTSVUMJVYMHKFP-GFCCVEGCSA-N 1 0 332.307 4.337 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000222105798 1035987731 /nfs/dbraw/zinc/98/77/31/1035987731.db2.gz ALWNCGJSLYUARS-SFHVURJKSA-N 1 0 345.284 4.292 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165409808 1036819313 /nfs/dbraw/zinc/81/93/13/1036819313.db2.gz RINRTPLUFPLGFM-LSDHHAIUSA-N 1 0 340.471 4.045 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000163593222 1037381485 /nfs/dbraw/zinc/38/14/85/1037381485.db2.gz AQHRXSGIXQOJOX-CQSZACIVSA-N 1 0 348.462 4.369 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273305958 1037405276 /nfs/dbraw/zinc/40/52/76/1037405276.db2.gz CRQISWXYZDGFRV-JKSUJKDBSA-N 1 0 336.439 4.002 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1OC ZINC000273300143 1037406751 /nfs/dbraw/zinc/40/67/51/1037406751.db2.gz BCKOSEAYBIVHHV-AWEZNQCLSA-N 1 0 345.439 4.049 20 10 EICDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Br)cc2O)s1 ZINC000273361038 1037435006 /nfs/dbraw/zinc/43/50/06/1037435006.db2.gz AHUTTXYBRLHBTN-QMMMGPOBSA-N 1 0 341.274 4.079 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1C ZINC000273372634 1037440727 /nfs/dbraw/zinc/44/07/27/1037440727.db2.gz GLOQNSAFTJYHJF-QGZVFWFLSA-N 1 0 335.451 4.105 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)c(O)c1C ZINC000273405846 1037455425 /nfs/dbraw/zinc/45/54/25/1037455425.db2.gz OITUEOWUBLQARW-KRWDZBQOSA-N 1 0 339.483 4.245 20 10 EICDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CCO1 ZINC000273445295 1037466824 /nfs/dbraw/zinc/46/68/24/1037466824.db2.gz DXZQUMINBQPHNT-GHJWDPDVSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1C ZINC000273452794 1037469505 /nfs/dbraw/zinc/46/95/05/1037469505.db2.gz GISUILFSOVKEHN-HNNXBMFYSA-N 1 0 327.424 4.021 20 10 EICDRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273455175 1037469857 /nfs/dbraw/zinc/46/98/57/1037469857.db2.gz GWQCUJUUUVQXAJ-KRWDZBQOSA-N 1 0 343.467 4.275 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1C ZINC000273452796 1037471707 /nfs/dbraw/zinc/47/17/07/1037471707.db2.gz GISUILFSOVKEHN-OAHLLOKOSA-N 1 0 327.424 4.021 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000273516835 1037491440 /nfs/dbraw/zinc/49/14/40/1037491440.db2.gz SRWUVYRTBXTLMR-WNDFPBNNSA-N 1 0 337.872 4.195 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000273534638 1037498336 /nfs/dbraw/zinc/49/83/36/1037498336.db2.gz VZMWGFIZUUUUCW-ICSRJNTNSA-N 1 0 329.415 4.158 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3sccc3C)CC2)cc1 ZINC000157400461 1037500622 /nfs/dbraw/zinc/50/06/22/1037500622.db2.gz ZODDVHCTZFTDBL-HNNXBMFYSA-N 1 0 330.497 4.385 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000157570214 1037683313 /nfs/dbraw/zinc/68/33/13/1037683313.db2.gz NCHVOUFDTLHEKY-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000760956085 1037759729 /nfs/dbraw/zinc/75/97/29/1037759729.db2.gz UWEZBPXXQOMQNX-XMSQKQJNSA-N 1 0 336.479 4.057 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1F ZINC000226036150 1037888818 /nfs/dbraw/zinc/88/88/18/1037888818.db2.gz IHMSOUPFRBXDDM-VIFPVBQESA-N 1 0 342.183 4.284 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC000237130782 1037934765 /nfs/dbraw/zinc/93/47/65/1037934765.db2.gz YRXWYFLIHABLEQ-CVEARBPZSA-N 1 0 326.406 4.280 20 10 EICDRO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000423922002 1038389452 /nfs/dbraw/zinc/38/94/52/1038389452.db2.gz ONCDUODBHUOJJU-IBGZPJMESA-N 1 0 336.479 4.239 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000151075242 1038635189 /nfs/dbraw/zinc/63/51/89/1038635189.db2.gz KBTSXPSHAORTBN-IBGZPJMESA-N 1 0 338.495 4.299 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030632511 1039286860 /nfs/dbraw/zinc/28/68/60/1039286860.db2.gz MFAWCSHWMVGOJF-MRXNPFEDSA-N 1 0 342.483 4.399 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000697873326 1039879816 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/nfs/dbraw/zinc/88/89/48/1045888948.db2.gz XHMDPXQQUUONEG-NBHGPNQESA-N 1 0 328.500 4.285 20 10 EICDRO CCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1O ZINC000769200676 1045894321 /nfs/dbraw/zinc/89/43/21/1045894321.db2.gz IVLBWFMWHRLWBK-UHFFFAOYSA-N 1 0 339.414 4.129 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)cc1OC ZINC000153843259 1045908374 /nfs/dbraw/zinc/90/83/74/1045908374.db2.gz HOXAHOYOGPZXSY-LJQANCHMSA-N 1 0 342.483 4.401 20 10 EICDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769382924 1045943168 /nfs/dbraw/zinc/94/31/68/1045943168.db2.gz CXLIVCVRQZIBHW-OAQYLSRUSA-N 1 0 330.516 4.458 20 10 EICDRO CCOc1cccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1O ZINC000769403548 1045952042 /nfs/dbraw/zinc/95/20/42/1045952042.db2.gz DJROCNMJYOJMEC-UHFFFAOYSA-N 1 0 329.415 4.137 20 10 EICDRO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470641 1045984704 /nfs/dbraw/zinc/98/47/04/1045984704.db2.gz MPHUSXWRLFSMHJ-SMDDNHRTSA-N 1 0 331.287 4.004 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](CC)CCc2nccs2)cc1F ZINC000769517646 1046007545 /nfs/dbraw/zinc/00/75/45/1046007545.db2.gz RDCHPWRBCQYELR-UHFFFAOYSA-N 1 0 335.492 4.193 20 10 EICDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](c2ccco2)C1 ZINC000769524385 1046009180 /nfs/dbraw/zinc/00/91/80/1046009180.db2.gz DJYBLYJVIZSKPI-YLJYHZDGSA-N 1 0 340.467 4.089 20 10 EICDRO COc1cccc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1O ZINC000769558361 1046021668 /nfs/dbraw/zinc/02/16/68/1046021668.db2.gz VZULJFVFRUEJRB-UHFFFAOYSA-N 1 0 345.389 4.358 20 10 EICDRO CCc1cccc(C[NH2+]Cc2csc(Br)c2)c1O ZINC000691472959 1046057109 /nfs/dbraw/zinc/05/71/09/1046057109.db2.gz FFNADZNOGXEWGC-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000792828886 1046074304 /nfs/dbraw/zinc/07/43/04/1046074304.db2.gz XYUIGUFRCAZZSA-UHFFFAOYSA-N 1 0 336.348 4.249 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000769867064 1046085709 /nfs/dbraw/zinc/08/57/09/1046085709.db2.gz XAUPMIPLCAKZMY-SNVBAGLBSA-N 1 0 335.753 4.023 20 10 EICDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962755 1046110699 /nfs/dbraw/zinc/11/06/99/1046110699.db2.gz QGAVIEGABCSCKU-LSDHHAIUSA-N 1 0 346.496 4.005 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000769929265 1046113873 /nfs/dbraw/zinc/11/38/73/1046113873.db2.gz YAHUENKEAHXPSL-NQIIRXRSSA-N 1 0 339.479 4.480 20 10 EICDRO CC(C)OCCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793074567 1046134623 /nfs/dbraw/zinc/13/46/23/1046134623.db2.gz RYWPUUBGMWKWAT-UHFFFAOYSA-N 1 0 332.410 4.066 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000763415198 1046147334 /nfs/dbraw/zinc/14/73/34/1046147334.db2.gz QBQPUYNTOPXGKO-VWKPWSFCSA-N 1 0 344.474 4.445 20 10 EICDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1(C)C ZINC001170426822 1046158335 /nfs/dbraw/zinc/15/83/35/1046158335.db2.gz YGZRHNHFSMATGA-HXUWFJFHSA-N 1 0 330.516 4.232 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000770327484 1046180452 /nfs/dbraw/zinc/18/04/52/1046180452.db2.gz QYTJWMRCWKLUKO-PMACEKPBSA-N 1 0 342.483 4.214 20 10 EICDRO CCOCc1cc(C[NH2+]CCCc2ccccc2F)ccc1OC ZINC000793345426 1046205685 /nfs/dbraw/zinc/20/56/85/1046205685.db2.gz BVSRITLNQHMDKM-UHFFFAOYSA-N 1 0 331.431 4.093 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2c1 ZINC000793522734 1046263955 /nfs/dbraw/zinc/26/39/55/1046263955.db2.gz FDHYBJZRBNJHSO-MSOLQXFVSA-N 1 0 333.378 4.031 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000793526928 1046268292 /nfs/dbraw/zinc/26/82/92/1046268292.db2.gz ZHYPEYSUBGVTKG-CQSZACIVSA-N 1 0 347.890 4.441 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3cccc4ccsc43)cc2)CC1 ZINC000771860480 1046517062 /nfs/dbraw/zinc/51/70/62/1046517062.db2.gz PYQPNLYVIIHKFK-UHFFFAOYSA-N 1 0 337.492 4.265 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000917074898 1046638833 /nfs/dbraw/zinc/63/88/33/1046638833.db2.gz KLCQFERAMAHBSR-UHFFFAOYSA-N 1 0 327.428 4.071 20 10 EICDRO CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccc(N(C)C)cc1 ZINC000772468000 1046646014 /nfs/dbraw/zinc/64/60/14/1046646014.db2.gz CTNJNLAVLXPRIN-OAQYLSRUSA-N 1 0 342.483 4.019 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000917088494 1046673406 /nfs/dbraw/zinc/67/34/06/1046673406.db2.gz YGXMFNXSOMJKBV-MRXNPFEDSA-N 1 0 328.431 4.108 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c1 ZINC000785577369 1046722992 /nfs/dbraw/zinc/72/29/92/1046722992.db2.gz OOOMOMJFWSQNNZ-UHFFFAOYSA-N 1 0 338.382 4.317 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCS2 ZINC000786576806 1046849280 /nfs/dbraw/zinc/84/92/80/1046849280.db2.gz BVPMCKDWFRNETK-LJQANCHMSA-N 1 0 342.508 4.396 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1Br ZINC000786943704 1046888983 /nfs/dbraw/zinc/88/89/83/1046888983.db2.gz AFBJYKGZWDMJPK-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000917484362 1046907291 /nfs/dbraw/zinc/90/72/91/1046907291.db2.gz CFSBURIXFUUDNM-UHFFFAOYSA-N 1 0 332.447 4.258 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132753 1047126185 /nfs/dbraw/zinc/12/61/85/1047126185.db2.gz ZXBABCOVZKLNQH-BZNIZROVSA-N 1 0 343.298 4.224 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(F)CCC2)c1O ZINC000806173554 1047160688 /nfs/dbraw/zinc/16/06/88/1047160688.db2.gz JVEYNKDIRCSZEK-LLVKDONJSA-N 1 0 330.241 4.396 20 10 EICDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000788544210 1047218214 /nfs/dbraw/zinc/21/82/14/1047218214.db2.gz DCUJKXNYSQOFJT-SOLBZPMBSA-N 1 0 332.463 4.028 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788532024 1047227623 /nfs/dbraw/zinc/22/76/23/1047227623.db2.gz KSFFOJYIFFRZPH-OAHLLOKOSA-N 1 0 330.859 4.052 20 10 EICDRO Cc1cc(O)c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cc1C ZINC000788532145 1047229203 /nfs/dbraw/zinc/22/92/03/1047229203.db2.gz LRZNAMPXBIIUJL-GOSISDBHSA-N 1 0 326.440 4.006 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788593403 1047240193 /nfs/dbraw/zinc/24/01/93/1047240193.db2.gz PFUJFJNDFCETKL-MRXNPFEDSA-N 1 0 347.865 4.497 20 10 EICDRO CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000788607607 1047245308 /nfs/dbraw/zinc/24/53/08/1047245308.db2.gz VYGLGPJDVPOFKV-SNVBAGLBSA-N 1 0 330.291 4.009 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c(O)c1C ZINC000788619012 1047249683 /nfs/dbraw/zinc/24/96/83/1047249683.db2.gz CGSYZNKPEGGTPI-LRQRDZAKSA-N 1 0 327.468 4.418 20 10 EICDRO C[C@@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1ccccc1O ZINC000806657759 1047335411 /nfs/dbraw/zinc/33/54/11/1047335411.db2.gz FJQQMDGASKFOJA-OAHLLOKOSA-N 1 0 328.456 4.453 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000788972153 1047338620 /nfs/dbraw/zinc/33/86/20/1047338620.db2.gz WDBKMQXTSXZLNV-PBHICJAKSA-N 1 0 333.516 4.238 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000788977999 1047348125 /nfs/dbraw/zinc/34/81/25/1047348125.db2.gz KETZZOQKHHAGEN-HMXCVIKNSA-N 1 0 330.516 4.218 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)CCCC3 ZINC000789510617 1047435236 /nfs/dbraw/zinc/43/52/36/1047435236.db2.gz BBSFUVRJGCWPHG-LPHOPBHVSA-N 1 0 341.451 4.161 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)CC1=Cc2ccccc2OC1 ZINC000154729439 1047453837 /nfs/dbraw/zinc/45/38/37/1047453837.db2.gz AWABRNVKZLAPGD-UHFFFAOYSA-N 1 0 347.414 4.463 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)cc1Cl ZINC000898181526 1047576323 /nfs/dbraw/zinc/57/63/23/1047576323.db2.gz JJTDQEQANWBAHY-ZDUSSCGKSA-N 1 0 333.863 4.201 20 10 EICDRO COc1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000898321467 1047614610 /nfs/dbraw/zinc/61/46/10/1047614610.db2.gz SMVLSMDNIMXXMC-LJQANCHMSA-N 1 0 340.467 4.334 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1O ZINC000814177764 1047867395 /nfs/dbraw/zinc/86/73/95/1047867395.db2.gz OISKXGAHRIXVOF-PIGZYNQJSA-N 1 0 337.872 4.208 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1 ZINC000808454559 1047919280 /nfs/dbraw/zinc/91/92/80/1047919280.db2.gz LSUBOVUXJLWQQI-QGZVFWFLSA-N 1 0 336.838 4.022 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000825070741 1048030746 /nfs/dbraw/zinc/03/07/46/1048030746.db2.gz LSKMKDWWGRRECF-HNNXBMFYSA-N 1 0 338.270 4.457 20 10 EICDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808689279 1048039931 /nfs/dbraw/zinc/03/99/31/1048039931.db2.gz BHBKHZJVYRLXIG-ZDUSSCGKSA-N 1 0 334.847 4.225 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000808677734 1048048897 /nfs/dbraw/zinc/04/88/97/1048048897.db2.gz FVTDDMHXFHVOKY-IBGZPJMESA-N 1 0 342.458 4.458 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000808706645 1048051994 /nfs/dbraw/zinc/05/19/94/1048051994.db2.gz PYFPFUDNDDQSTI-RVSPLBMKSA-N 1 0 341.904 4.059 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000808707298 1048052404 /nfs/dbraw/zinc/05/24/04/1048052404.db2.gz KMAHLTZGOQPATJ-MEDUHNTESA-N 1 0 340.250 4.392 20 10 EICDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808706292 1048052668 /nfs/dbraw/zinc/05/26/68/1048052668.db2.gz GQRGSZPJMQSXLV-SMDDNHRTSA-N 1 0 325.861 4.108 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1O ZINC000808710690 1048055329 /nfs/dbraw/zinc/05/53/29/1048055329.db2.gz VKFMCLXBAIKKGE-TXKWRHDYSA-N 1 0 343.945 4.384 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000808711418 1048058467 /nfs/dbraw/zinc/05/84/67/1048058467.db2.gz GEIPFYSCLWGCCT-GFCCVEGCSA-N 1 0 345.826 4.423 20 10 EICDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712918 1048060193 /nfs/dbraw/zinc/06/01/93/1048060193.db2.gz JGNBNKYTNKLFPT-UKRRQHHQSA-N 1 0 337.847 4.245 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1O ZINC000808715706 1048061235 /nfs/dbraw/zinc/06/12/35/1048061235.db2.gz NNOROVAXRCYRJX-ZDUSSCGKSA-N 1 0 344.842 4.176 20 10 EICDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712919 1048061483 /nfs/dbraw/zinc/06/14/83/1048061483.db2.gz JGNBNKYTNKLFPT-ZFWWWQNUSA-N 1 0 337.847 4.245 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1O ZINC000808715364 1048062584 /nfs/dbraw/zinc/06/25/84/1048062584.db2.gz KFCUEDOSBSRWIW-LIRRHRJNSA-N 1 0 333.859 4.302 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1O ZINC000808715444 1048062741 /nfs/dbraw/zinc/06/27/41/1048062741.db2.gz FAEATSWVADKENI-ZDUSSCGKSA-N 1 0 330.859 4.479 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1O ZINC000808715971 1048065032 /nfs/dbraw/zinc/06/50/32/1048065032.db2.gz PBNYAOZEANQHDD-XJKSGUPXSA-N 1 0 335.879 4.178 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O ZINC000808696724 1048077558 /nfs/dbraw/zinc/07/75/58/1048077558.db2.gz SDWIBXNYQXXIDS-OAVHHTNSSA-N 1 0 337.822 4.266 20 10 EICDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000808695800 1048077973 /nfs/dbraw/zinc/07/79/73/1048077973.db2.gz OECNQWJHOJUICN-ZDUSSCGKSA-N 1 0 338.473 4.050 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000808700494 1048079468 /nfs/dbraw/zinc/07/94/68/1048079468.db2.gz LUPBAGAEKZZDOX-LBPRGKRZSA-N 1 0 327.852 4.127 20 10 EICDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1O ZINC000808729259 1048092165 /nfs/dbraw/zinc/09/21/65/1048092165.db2.gz WXGGXYXHOPXAED-QGZVFWFLSA-N 1 0 339.395 4.065 20 10 EICDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510307 1048107083 /nfs/dbraw/zinc/10/70/83/1048107083.db2.gz ZYIFQARBCIDNJZ-MLGOLLRUSA-N 1 0 347.256 4.133 20 10 EICDRO Cc1ccc(-c2cnc(CN3CCCc4cc(C[NH3+])ccc43)o2)cc1 ZINC000844219169 1048224098 /nfs/dbraw/zinc/22/40/98/1048224098.db2.gz GUJMZOQLGSULRC-UHFFFAOYSA-N 1 0 333.435 4.062 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1N(C)C ZINC000815072374 1048320400 /nfs/dbraw/zinc/32/04/00/1048320400.db2.gz KWKOJGMCPYPAGV-NRFANRHFSA-N 1 0 348.494 4.285 20 10 EICDRO CCc1cc(C[NH+]2CCC(CC(=O)OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000919944217 1048328713 /nfs/dbraw/zinc/32/87/13/1048328713.db2.gz XMCYJTUIVITKPT-UHFFFAOYSA-N 1 0 347.499 4.027 20 10 EICDRO CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCCO1 ZINC000919947996 1048331843 /nfs/dbraw/zinc/33/18/43/1048331843.db2.gz QMNYLIDZCHXGCJ-AWEZNQCLSA-N 1 0 329.440 4.018 20 10 EICDRO CCCCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882017 1048358273 /nfs/dbraw/zinc/35/82/73/1048358273.db2.gz KBNLFHKTRRBUHN-IBGZPJMESA-N 1 0 347.547 4.078 20 10 EICDRO CCCCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134882018 1048359839 /nfs/dbraw/zinc/35/98/39/1048359839.db2.gz KBNLFHKTRRBUHN-LJQANCHMSA-N 1 0 347.547 4.078 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000815166455 1048377514 /nfs/dbraw/zinc/37/75/14/1048377514.db2.gz MFZMQDPSOUZKDJ-CTYIDZIISA-N 1 0 331.843 4.480 20 10 EICDRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1O ZINC000809688986 1048476776 /nfs/dbraw/zinc/47/67/76/1048476776.db2.gz SNTMWDHHIMMALV-UHFFFAOYSA-N 1 0 343.320 4.104 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000809729030 1048482011 /nfs/dbraw/zinc/48/20/11/1048482011.db2.gz OUAIONHOFHUBDH-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809768599 1048502298 /nfs/dbraw/zinc/50/22/98/1048502298.db2.gz PZJNLMRNIPWBDB-HXUWFJFHSA-N 1 0 338.499 4.354 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c(O)c1 ZINC000815557198 1048507627 /nfs/dbraw/zinc/50/76/27/1048507627.db2.gz OMXBUMZJVZRQNK-CYBMUJFWSA-N 1 0 329.831 4.161 20 10 EICDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)CC1 ZINC000815564366 1048510540 /nfs/dbraw/zinc/51/05/40/1048510540.db2.gz GSBKSASLSRKPJW-OAQYLSRUSA-N 1 0 342.527 4.098 20 10 EICDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815565856 1048512295 /nfs/dbraw/zinc/51/22/95/1048512295.db2.gz BTEAUVNTVWKVMF-DLBZAZTESA-N 1 0 342.458 4.383 20 10 EICDRO C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N(C)C1CC1 ZINC000815576144 1048516118 /nfs/dbraw/zinc/51/61/18/1048516118.db2.gz KNHFIUYWPAAXNK-UWJYYQICSA-N 1 0 338.495 4.138 20 10 EICDRO CC(C)[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579550 1048518675 /nfs/dbraw/zinc/51/86/75/1048518675.db2.gz PHAUHQCXJPWIRF-TZIWHRDSSA-N 1 0 327.468 4.063 20 10 EICDRO CCC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579925 1048520879 /nfs/dbraw/zinc/52/08/79/1048520879.db2.gz YPZBODYLXUBQNK-PZJWPPBQSA-N 1 0 327.468 4.207 20 10 EICDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809756644 1048522132 /nfs/dbraw/zinc/52/21/32/1048522132.db2.gz HQUYQNVGFCKINW-OAQYLSRUSA-N 1 0 325.452 4.186 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCN1C ZINC000815583956 1048522214 /nfs/dbraw/zinc/52/22/14/1048522214.db2.gz RTCLNYGZVXWRFH-SLYNCCJLSA-N 1 0 338.495 4.138 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758281 1048522850 /nfs/dbraw/zinc/52/28/50/1048522850.db2.gz IPHUKFZFABFZSA-LEWJYISDSA-N 1 0 342.527 4.316 20 10 EICDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC(CO)CC1 ZINC000809766343 1048526029 /nfs/dbraw/zinc/52/60/29/1048526029.db2.gz XMCPWBWHUVPUAC-UHFFFAOYSA-N 1 0 325.452 4.042 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000815597867 1048529860 /nfs/dbraw/zinc/52/98/60/1048529860.db2.gz IAEMDVLUJFQGIA-JXFKEZNVSA-N 1 0 325.452 4.173 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1 ZINC000815597127 1048530907 /nfs/dbraw/zinc/53/09/07/1048530907.db2.gz NMZGXXMGEHOIAE-HNNXBMFYSA-N 1 0 327.424 4.021 20 10 EICDRO C[C@@H](CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815598895 1048532242 /nfs/dbraw/zinc/53/22/42/1048532242.db2.gz FSMQTTSUGMQETB-YLJYHZDGSA-N 1 0 327.468 4.064 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000844922294 1048550261 /nfs/dbraw/zinc/55/02/61/1048550261.db2.gz AOCASOQUEFFNSS-SECBINFHSA-N 1 0 343.229 4.148 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000815627272 1048551380 /nfs/dbraw/zinc/55/13/80/1048551380.db2.gz XSYJEPPLKGSXBQ-ZBFHGGJFSA-N 1 0 333.859 4.089 20 10 EICDRO CO[C@@](C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815627771 1048553074 /nfs/dbraw/zinc/55/30/74/1048553074.db2.gz JAKRGGDTVKXFIH-UNMCSNQZSA-N 1 0 339.479 4.471 20 10 EICDRO CCOC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCCC1 ZINC000815644983 1048570183 /nfs/dbraw/zinc/57/01/83/1048570183.db2.gz RORPWSWEAVFZLV-LBPRGKRZSA-N 1 0 342.277 4.155 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C)cc1O ZINC000815645895 1048570465 /nfs/dbraw/zinc/57/04/65/1048570465.db2.gz TWUXITCNVDLKBP-INIZCTEOSA-N 1 0 338.373 4.398 20 10 EICDRO Oc1cc(C[NH2+]CCCSc2nccs2)cc(C(F)(F)F)c1 ZINC000810146313 1048655542 /nfs/dbraw/zinc/65/55/42/1048655542.db2.gz PHMLRUORNXCKET-UHFFFAOYSA-N 1 0 348.415 4.140 20 10 EICDRO COC[C@@H]([NH2+]CCCSc1nccs1)c1cccc(Cl)c1 ZINC000810218593 1048688488 /nfs/dbraw/zinc/68/84/88/1048688488.db2.gz JJFCEPVXUDARFC-CQSZACIVSA-N 1 0 342.917 4.256 20 10 EICDRO COC[C@H]([NH2+]CCCSc1nccs1)c1cccc(Cl)c1 ZINC000810218467 1048688954 /nfs/dbraw/zinc/68/89/54/1048688954.db2.gz JJFCEPVXUDARFC-AWEZNQCLSA-N 1 0 342.917 4.256 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1O ZINC000810227897 1048695643 /nfs/dbraw/zinc/69/56/43/1048695643.db2.gz MHJNMXUDSLDHMO-UONOGXRCSA-N 1 0 339.361 4.252 20 10 EICDRO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810227825 1048695699 /nfs/dbraw/zinc/69/56/99/1048695699.db2.gz KKCCQKYLCVELJW-CQSZACIVSA-N 1 0 331.378 4.268 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1O ZINC000810227896 1048696249 /nfs/dbraw/zinc/69/62/49/1048696249.db2.gz MHJNMXUDSLDHMO-KGLIPLIRSA-N 1 0 339.361 4.252 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810235477 1048700343 /nfs/dbraw/zinc/70/03/43/1048700343.db2.gz QNRHEWUHELONHB-HUBLWGQQSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+]CCCOCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208056 1048704582 /nfs/dbraw/zinc/70/45/82/1048704582.db2.gz SHNJQBRZKLJNKU-HNNXBMFYSA-N 1 0 331.378 4.268 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209953 1048706240 /nfs/dbraw/zinc/70/62/40/1048706240.db2.gz XPDNPWGNEHAHCL-DZKIICNBSA-N 1 0 342.405 4.079 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCCC2=O)cc1 ZINC000810262136 1048711789 /nfs/dbraw/zinc/71/17/89/1048711789.db2.gz MEFSXUJNDIHAOA-CVEARBPZSA-N 1 0 338.451 4.321 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810236796 1048718879 /nfs/dbraw/zinc/71/88/79/1048718879.db2.gz NKDSPLMMYBVATQ-KGLIPLIRSA-N 1 0 343.345 4.168 20 10 EICDRO CC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000810242582 1048725403 /nfs/dbraw/zinc/72/54/03/1048725403.db2.gz DXUWTSQGWJEGCR-XOBRGWDASA-N 1 0 329.415 4.060 20 10 EICDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810244949 1048727937 /nfs/dbraw/zinc/72/79/37/1048727937.db2.gz LDDJBIHSFHTFGB-DLBZAZTESA-N 1 0 335.511 4.195 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1C ZINC000810252599 1048729227 /nfs/dbraw/zinc/72/92/27/1048729227.db2.gz GYXFECZWKIUILN-AUUYWEPGSA-N 1 0 331.481 4.209 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc2ccccc21 ZINC000816498258 1048809996 /nfs/dbraw/zinc/80/99/96/1048809996.db2.gz NRXSYEWXLCFVSQ-QGZVFWFLSA-N 1 0 325.433 4.180 20 10 EICDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000846084195 1048810642 /nfs/dbraw/zinc/81/06/42/1048810642.db2.gz VOZNTPBBWXHNIX-MSOLQXFVSA-N 1 0 339.435 4.052 20 10 EICDRO Oc1c(C[NH+]2CCC(OC3CCCC3)CC2)ccc2ccccc21 ZINC000816499281 1048819672 /nfs/dbraw/zinc/81/96/72/1048819672.db2.gz KLRULMFOZUGSBC-UHFFFAOYSA-N 1 0 325.452 4.469 20 10 EICDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846148355 1048823626 /nfs/dbraw/zinc/82/36/26/1048823626.db2.gz QNGGPIGDUKYTJY-HUUCEWRRSA-N 1 0 329.440 4.254 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000846153569 1048824243 /nfs/dbraw/zinc/82/42/43/1048824243.db2.gz HSBJAPYXFBYSGK-STQMWFEESA-N 1 0 330.384 4.029 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2csc(C(C)(C)C)n2)c1O ZINC000846157021 1048824848 /nfs/dbraw/zinc/82/48/48/1048824848.db2.gz IEBVACHFIVPQKS-LBPRGKRZSA-N 1 0 334.485 4.048 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000816531473 1048826086 /nfs/dbraw/zinc/82/60/86/1048826086.db2.gz SQPQRKIXXLPSSJ-GOSISDBHSA-N 1 0 327.811 4.022 20 10 EICDRO Oc1c(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816551490 1048827851 /nfs/dbraw/zinc/82/78/51/1048827851.db2.gz CWWFLANBLAYKFD-IBGZPJMESA-N 1 0 332.447 4.304 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1O ZINC000846167703 1048828240 /nfs/dbraw/zinc/82/82/40/1048828240.db2.gz BNWYATHNNICORY-IXPVHAAZSA-N 1 0 335.806 4.400 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4ccccc4c3O)c2c1 ZINC000816550317 1048828612 /nfs/dbraw/zinc/82/86/12/1048828612.db2.gz NXXURBHHVMKFJL-UHFFFAOYSA-N 1 0 346.430 4.368 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000846172332 1048829233 /nfs/dbraw/zinc/82/92/33/1048829233.db2.gz LEZOGOCNKLZMGL-HZPDHXFCSA-N 1 0 342.483 4.057 20 10 EICDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc2ccccc2c1O ZINC000816525357 1048829497 /nfs/dbraw/zinc/82/94/97/1048829497.db2.gz PTVZQPLSSYMHOE-UHFFFAOYSA-N 1 0 336.435 4.228 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(C(F)(F)F)cc2)c1O ZINC000846136835 1048829716 /nfs/dbraw/zinc/82/97/16/1048829716.db2.gz KKLGTBJAGNGERJ-GFCCVEGCSA-N 1 0 339.357 4.313 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2Br)c1O ZINC000846141722 1048830164 /nfs/dbraw/zinc/83/01/64/1048830164.db2.gz MZAYWPZXBRKUCK-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccsc1 ZINC000846139819 1048830612 /nfs/dbraw/zinc/83/06/12/1048830612.db2.gz UUKZDJUJKBUGTH-YOEHRIQHSA-N 1 0 348.512 4.196 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccsc1 ZINC000846139818 1048830907 /nfs/dbraw/zinc/83/09/07/1048830907.db2.gz UUKZDJUJKBUGTH-WMLDXEAASA-N 1 0 348.512 4.196 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207180 1048832629 /nfs/dbraw/zinc/83/26/29/1048832629.db2.gz LJNMPWRRAXDXCL-APWZRJJASA-N 1 0 335.451 4.069 20 10 EICDRO COc1cccc(Cl)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816590710 1048832891 /nfs/dbraw/zinc/83/28/91/1048832891.db2.gz JKTIQOQKEIUTDF-UHFFFAOYSA-N 1 0 327.811 4.497 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc3ccccc3c2O)c2ccccc2n1 ZINC000816554425 1048834347 /nfs/dbraw/zinc/83/43/47/1048834347.db2.gz YDOQPVYUBQEUJQ-UHFFFAOYSA-N 1 0 344.414 4.392 20 10 EICDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559277 1048835910 /nfs/dbraw/zinc/83/59/10/1048835910.db2.gz DBFBJUHDRFAMRQ-VLIAUNLRSA-N 1 0 339.410 4.286 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)c1ccccc1O ZINC001170855441 1048902232 /nfs/dbraw/zinc/90/22/32/1048902232.db2.gz ZBICCYDIBRYALX-WBMJQRKESA-N 1 0 346.268 4.363 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCO1 ZINC000817585778 1049015365 /nfs/dbraw/zinc/01/53/65/1049015365.db2.gz IAAKJRJCTANFHC-FPMFFAJLSA-N 1 0 342.277 4.071 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cc(C)n1 ZINC000817589999 1049018392 /nfs/dbraw/zinc/01/83/92/1049018392.db2.gz SDEXEAPUZBSIRX-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942777 1049060912 /nfs/dbraw/zinc/06/09/12/1049060912.db2.gz QYNUEXOVBKSRNM-CABCVRRESA-N 1 0 337.920 4.208 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817947822 1049064595 /nfs/dbraw/zinc/06/45/95/1049064595.db2.gz RZQTYSNNSBGJQY-RWSFTLGLSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955808 1049066032 /nfs/dbraw/zinc/06/60/32/1049066032.db2.gz IFUYVYPGZWBGFJ-KGLIPLIRSA-N 1 0 325.481 4.203 20 10 EICDRO Cc1c([C@H](C)[NH2+]CCc2ccc(N)cc2)cnn1-c1cc(C)ccc1C ZINC000817956064 1049066914 /nfs/dbraw/zinc/06/69/14/1049066914.db2.gz PTFRGJWRAFKOKQ-KRWDZBQOSA-N 1 0 348.494 4.273 20 10 EICDRO C[C@@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970667 1049071806 /nfs/dbraw/zinc/07/18/06/1049071806.db2.gz BRCXHIJMGVLIHG-ZHRRBRCNSA-N 1 0 333.479 4.256 20 10 EICDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000817982188 1049077082 /nfs/dbraw/zinc/07/70/82/1049077082.db2.gz ZKOSYGZLSAJVLO-LBPRGKRZSA-N 1 0 349.272 4.205 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818117396 1049091305 /nfs/dbraw/zinc/09/13/05/1049091305.db2.gz XSSWHHLCWKCNAE-CVEARBPZSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000818116033 1049091452 /nfs/dbraw/zinc/09/14/52/1049091452.db2.gz FZIJHBJNSAVIKJ-GJZGRUSLSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(F)c3)C2)cc1 ZINC000818116797 1049091755 /nfs/dbraw/zinc/09/17/55/1049091755.db2.gz PTVVINVDGSOPDE-HOTGVXAUSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818220618 1049112979 /nfs/dbraw/zinc/11/29/79/1049112979.db2.gz HNMFBLBNWRAVCO-SJORKVTESA-N 1 0 342.458 4.054 20 10 EICDRO c1csc([C@H](Cc2ccncc2)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818331084 1049131543 /nfs/dbraw/zinc/13/15/43/1049131543.db2.gz UZGOWIZCRKANOI-SFHVURJKSA-N 1 0 336.460 4.152 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccs1 ZINC000818345763 1049137893 /nfs/dbraw/zinc/13/78/93/1049137893.db2.gz XQOGUCHDFCBHFJ-MAUKXSAKSA-N 1 0 330.497 4.324 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)CCCC3 ZINC000129046963 1049373179 /nfs/dbraw/zinc/37/31/79/1049373179.db2.gz ROFCIBONRZHQNN-KDOFPFPSSA-N 1 0 341.451 4.018 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000773000531 1049513915 /nfs/dbraw/zinc/51/39/15/1049513915.db2.gz QIXOBANLZKRCKJ-GOSISDBHSA-N 1 0 342.483 4.319 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000773009857 1049524914 /nfs/dbraw/zinc/52/49/14/1049524914.db2.gz DBZAKLNDUVVMOK-KUHUBIRLSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000773044469 1049550699 /nfs/dbraw/zinc/55/06/99/1049550699.db2.gz PUGDJFQWYWYEON-DYESRHJHSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000812735720 1049553992 /nfs/dbraw/zinc/55/39/92/1049553992.db2.gz FQZBKFNZVDFRMB-LPHOPBHVSA-N 1 0 342.458 4.407 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1O ZINC000812736935 1049556841 /nfs/dbraw/zinc/55/68/41/1049556841.db2.gz FOHUMELODKCEIJ-MRXNPFEDSA-N 1 0 329.831 4.173 20 10 EICDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000773066590 1049558980 /nfs/dbraw/zinc/55/89/80/1049558980.db2.gz VVCPLQSDQNNQKM-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773088595 1049573907 /nfs/dbraw/zinc/57/39/07/1049573907.db2.gz PAPPWXAQKVXOKE-CQSZACIVSA-N 1 0 331.410 4.201 20 10 EICDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773098519 1049579847 /nfs/dbraw/zinc/57/98/47/1049579847.db2.gz LVSRWMDMZYZVBP-AWEZNQCLSA-N 1 0 334.891 4.017 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1 ZINC000773100310 1049582319 /nfs/dbraw/zinc/58/23/19/1049582319.db2.gz UCYHCWYKPYNINC-UWJYYQICSA-N 1 0 338.495 4.307 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773133967 1049597437 /nfs/dbraw/zinc/59/74/37/1049597437.db2.gz IFTOOCNNLWSODR-MHORFTMASA-N 1 0 336.570 4.173 20 10 EICDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773149881 1049614253 /nfs/dbraw/zinc/61/42/53/1049614253.db2.gz NAAZNSCJXIWLTD-VWKPWSFCSA-N 1 0 342.483 4.188 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 ZINC000237574944 1049628762 /nfs/dbraw/zinc/62/87/62/1049628762.db2.gz LNQAIIVYKMWWBR-QRWLVFNGSA-N 1 0 340.467 4.170 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)ccc1O ZINC000036993963 1049653076 /nfs/dbraw/zinc/65/30/76/1049653076.db2.gz PBYPNKWCROGHHQ-NHYWBVRUSA-N 1 0 338.245 4.420 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773258066 1049673797 /nfs/dbraw/zinc/67/37/97/1049673797.db2.gz GQMIZDQYLTYMLL-CVEARBPZSA-N 1 0 347.499 4.034 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000179665352 1049715756 /nfs/dbraw/zinc/71/57/56/1049715756.db2.gz NDXWAJAPRZFGRB-ZDUSSCGKSA-N 1 0 341.407 4.349 20 10 EICDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C12CCC2 ZINC001170981816 1049744350 /nfs/dbraw/zinc/74/43/50/1049744350.db2.gz SPTHXBWZCLZYPO-WOJBJXKFSA-N 1 0 328.500 4.033 20 10 EICDRO COc1ccc2oc(C[NH2+][C@H](C)c3cc(OC)ccc3O)cc2c1 ZINC000813331391 1049752584 /nfs/dbraw/zinc/75/25/84/1049752584.db2.gz NSOWRXIIBFCMHD-GFCCVEGCSA-N 1 0 327.380 4.006 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001171630584 1049762667 /nfs/dbraw/zinc/76/26/67/1049762667.db2.gz AVMBSCODFPYJOZ-NRFANRHFSA-N 1 0 328.500 4.068 20 10 EICDRO COC[C@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447182 1049847475 /nfs/dbraw/zinc/84/74/75/1049847475.db2.gz DCXPIEOFBRCAIU-SFHVURJKSA-N 1 0 344.524 4.243 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 ZINC000823765415 1049875353 /nfs/dbraw/zinc/87/53/53/1049875353.db2.gz MCMWZQJRTBVGAV-GOSISDBHSA-N 1 0 338.442 4.425 20 10 EICDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000180326785 1049878649 /nfs/dbraw/zinc/87/86/49/1049878649.db2.gz ZOBQRYVVDXNLEW-HNNXBMFYSA-N 1 0 326.488 4.338 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772877182 1049879204 /nfs/dbraw/zinc/87/92/04/1049879204.db2.gz WCCXDADTPONXRX-ZDUSSCGKSA-N 1 0 345.512 4.088 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000824012036 1049890721 /nfs/dbraw/zinc/89/07/21/1049890721.db2.gz MYILEYRDRSNUGA-HDICACEKSA-N 1 0 344.524 4.025 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1 ZINC000180419294 1049895497 /nfs/dbraw/zinc/89/54/97/1049895497.db2.gz DDKJZAXEGYDRKS-KRWDZBQOSA-N 1 0 348.494 4.394 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000824215176 1049906711 /nfs/dbraw/zinc/90/67/11/1049906711.db2.gz MYYFQPZMECSIRU-YLJYHZDGSA-N 1 0 344.524 4.025 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000180953506 1049968549 /nfs/dbraw/zinc/96/85/49/1049968549.db2.gz BNXYFEZFISSGTJ-UHFFFAOYSA-N 1 0 325.364 4.076 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1O ZINC000181582719 1050221065 /nfs/dbraw/zinc/22/10/65/1050221065.db2.gz OWMOSNMUGZFOCN-SECBINFHSA-N 1 0 339.769 4.377 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921382 1050233764 /nfs/dbraw/zinc/23/37/64/1050233764.db2.gz PNMCPEXFMKWRTE-GOSISDBHSA-N 1 0 340.423 4.070 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)c1O ZINC001173075171 1050289639 /nfs/dbraw/zinc/28/96/39/1050289639.db2.gz KVGSAZDZRPKZJX-ZDUSSCGKSA-N 1 0 339.357 4.320 20 10 EICDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904496 1050325204 /nfs/dbraw/zinc/32/52/04/1050325204.db2.gz JOGVLJHPCGHNJA-KXPUMZMLSA-N 1 0 334.467 4.003 20 10 EICDRO Oc1c(F)cc(Cl)cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC001178205170 1050404186 /nfs/dbraw/zinc/40/41/86/1050404186.db2.gz OLMCFFQPBTWXCJ-UHFFFAOYSA-N 1 0 348.849 4.435 20 10 EICDRO COc1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)cc1C ZINC001178398714 1050452009 /nfs/dbraw/zinc/45/20/09/1050452009.db2.gz UWAPEQZPBILPLR-UHFFFAOYSA-N 1 0 325.452 4.233 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)cc1C ZINC001178436678 1050458490 /nfs/dbraw/zinc/45/84/90/1050458490.db2.gz PCCLSSULWTYXIW-IBGZPJMESA-N 1 0 341.451 4.406 20 10 EICDRO CCC[C@]1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCOC1 ZINC001178700709 1050534928 /nfs/dbraw/zinc/53/49/28/1050534928.db2.gz YRGWWIFSEPYTQO-FQEVSTJZSA-N 1 0 344.524 4.433 20 10 EICDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2C)cc1Cn1cccn1 ZINC001178790995 1050555950 /nfs/dbraw/zinc/55/59/50/1050555950.db2.gz LDMQICKXIWKLHS-UHFFFAOYSA-N 1 0 349.478 4.273 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc([Si](C)(C)C)cc1 ZINC001178852800 1050573142 /nfs/dbraw/zinc/57/31/42/1050573142.db2.gz YTAKTDPBBUTLKL-UHFFFAOYSA-N 1 0 336.555 4.322 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c(C)c1 ZINC001178971998 1050600761 /nfs/dbraw/zinc/60/07/61/1050600761.db2.gz NRPYISSWCJENLH-GOSISDBHSA-N 1 0 340.511 4.489 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CCc1n[nH]c2ccccc21 ZINC000775140689 1050604599 /nfs/dbraw/zinc/60/45/99/1050604599.db2.gz QEEPBNHKISBPNN-MRXNPFEDSA-N 1 0 336.483 4.259 20 10 EICDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179085888 1050629179 /nfs/dbraw/zinc/62/91/79/1050629179.db2.gz HXMJSRKWPZEWNP-OXQOHEQNSA-N 1 0 338.520 4.233 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000182426469 1050653284 /nfs/dbraw/zinc/65/32/84/1050653284.db2.gz BGXHJHYEVGZCMQ-ZDUSSCGKSA-N 1 0 340.448 4.375 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000773809393 1050659304 /nfs/dbraw/zinc/65/93/04/1050659304.db2.gz CQXYSFHWKZNQGX-JOCHJYFZSA-N 1 0 338.495 4.400 20 10 EICDRO Cc1cc(C[NH2+]Cc2cccnc2Cl)c(C)n1-c1ccccc1 ZINC001179333348 1050676668 /nfs/dbraw/zinc/67/66/68/1050676668.db2.gz VBVFCJYNDGPGNY-UHFFFAOYSA-N 1 0 325.843 4.432 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001179437749 1050690581 /nfs/dbraw/zinc/69/05/81/1050690581.db2.gz LUBHELBIOLNBCF-QFIPXVFZSA-N 1 0 348.494 4.260 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC001179426254 1050698721 /nfs/dbraw/zinc/69/87/21/1050698721.db2.gz WCLFUDZQZMGFNB-HXUWFJFHSA-N 1 0 328.500 4.258 20 10 EICDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000763532923 1050727983 /nfs/dbraw/zinc/72/79/83/1050727983.db2.gz XKQUSVPARSLPDR-UYAOXDASSA-N 1 0 330.516 4.360 20 10 EICDRO COCC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)CC(C)C ZINC001179941970 1050826247 /nfs/dbraw/zinc/82/62/47/1050826247.db2.gz JHTZPIDLQOMYLB-UHFFFAOYSA-N 1 0 346.540 4.489 20 10 EICDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950746 1050828025 /nfs/dbraw/zinc/82/80/25/1050828025.db2.gz HFFWAKJYCLSIGH-IRXDYDNUSA-N 1 0 327.415 4.086 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962790 1050848453 /nfs/dbraw/zinc/84/84/53/1050848453.db2.gz SJSRDQWUIDMKPD-CZUORRHYSA-N 1 0 345.439 4.284 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC001180058272 1050871485 /nfs/dbraw/zinc/87/14/85/1050871485.db2.gz PHCADXPVMNJHPR-QGZVFWFLSA-N 1 0 330.859 4.431 20 10 EICDRO Cc1ccc([C@H](C)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001180429503 1050987159 /nfs/dbraw/zinc/98/71/59/1050987159.db2.gz BOGQKDNCHNBDFC-NQIIRXRSSA-N 1 0 339.479 4.485 20 10 EICDRO COc1cc(C)cc(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)c1O ZINC001180997693 1051127851 /nfs/dbraw/zinc/12/78/51/1051127851.db2.gz YDQILJHNSWBLHX-SFHVURJKSA-N 1 0 327.468 4.314 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000775364252 1051133671 /nfs/dbraw/zinc/13/36/71/1051133671.db2.gz QEYBKAXBGJWXOP-NSHDSACASA-N 1 0 344.436 4.277 20 10 EICDRO CCc1cccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1O ZINC001181133803 1051161347 /nfs/dbraw/zinc/16/13/47/1051161347.db2.gz ATDYLSKXMDFHLB-FQEVSTJZSA-N 1 0 345.870 4.099 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001181410190 1051227331 /nfs/dbraw/zinc/22/73/31/1051227331.db2.gz JMQRZAZOHVWENC-NRFANRHFSA-N 1 0 340.511 4.189 20 10 EICDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)cc1F ZINC001175053306 1051342625 /nfs/dbraw/zinc/34/26/25/1051342625.db2.gz MIDHTVSKMBSZFZ-SFHVURJKSA-N 1 0 342.458 4.198 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001182053714 1051385306 /nfs/dbraw/zinc/38/53/06/1051385306.db2.gz POMQUOAJAFVEKL-UHFFFAOYSA-N 1 0 328.412 4.449 20 10 EICDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000774200284 1051497722 /nfs/dbraw/zinc/49/77/22/1051497722.db2.gz ICWFFVSXQFNUML-HNNXBMFYSA-N 1 0 349.481 4.201 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC001182325560 1051500066 /nfs/dbraw/zinc/50/00/66/1051500066.db2.gz APDGFDDFSTXRNB-HXUWFJFHSA-N 1 0 349.540 4.417 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(Cl)ccc1O ZINC000775482968 1051550517 /nfs/dbraw/zinc/55/05/17/1051550517.db2.gz JMWJJWKEIVYDOK-CABCVRRESA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccccc1O ZINC000775483205 1051551177 /nfs/dbraw/zinc/55/11/77/1051551177.db2.gz OXNFZFCZMRCKQU-ZWKOTPCHSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000775484342 1051555041 /nfs/dbraw/zinc/55/50/41/1051555041.db2.gz BRZCWLOGGBKXJV-WBVHZDCISA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000775487872 1051561118 /nfs/dbraw/zinc/56/11/18/1051561118.db2.gz FMSFJSIUZWIYCI-QGZVFWFLSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492824 1051592430 /nfs/dbraw/zinc/59/24/30/1051592430.db2.gz SUVAPSGMFXLIAK-DOMZBBRYSA-N 1 0 348.878 4.165 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493488 1051603323 /nfs/dbraw/zinc/60/33/23/1051603323.db2.gz TVTZBEYMFKIOOB-WBVHZDCISA-N 1 0 335.879 4.398 20 10 EICDRO CCOc1c(OC)cc(C[NH2+][C@@H](CC)c2ccccc2O)cc1OC ZINC000775499647 1051624263 /nfs/dbraw/zinc/62/42/63/1051624263.db2.gz LMQSQRURFBLUCJ-INIZCTEOSA-N 1 0 345.439 4.049 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000775508976 1051648596 /nfs/dbraw/zinc/64/85/96/1051648596.db2.gz HIFPDMIXSARIEU-CJNGLKHVSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Br)ccc1O ZINC000775512960 1051659807 /nfs/dbraw/zinc/65/98/07/1051659807.db2.gz ULTQWPBXNVNZBU-MLGOLLRUSA-N 1 0 349.272 4.222 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775514205 1051660033 /nfs/dbraw/zinc/66/00/33/1051660033.db2.gz RWOFOVXNIVCTKI-QZTJIDSGSA-N 1 0 349.858 4.219 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1O ZINC000775514111 1051661880 /nfs/dbraw/zinc/66/18/80/1051661880.db2.gz WESCPAGUUGXYSF-ROUUACIJSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000775513731 1051662067 /nfs/dbraw/zinc/66/20/67/1051662067.db2.gz LGCMUOIWTWHHKA-ZOWXZIJZSA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775523907 1051699909 /nfs/dbraw/zinc/69/99/09/1051699909.db2.gz AYFARGCLTAKOLG-CVEARBPZSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O ZINC000775524708 1051708572 /nfs/dbraw/zinc/70/85/72/1051708572.db2.gz GSDNYTLSXLQVOT-MRXNPFEDSA-N 1 0 334.803 4.237 20 10 EICDRO COCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCC1 ZINC001182856852 1051722477 /nfs/dbraw/zinc/72/24/77/1051722477.db2.gz YGYTVMMJFAOINS-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001192744707 1051801410 /nfs/dbraw/zinc/80/14/10/1051801410.db2.gz HUGREZLFMHDEHN-IFXJQAMLSA-N 1 0 332.875 4.272 20 10 EICDRO CCC(C)(C)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001183267525 1051819820 /nfs/dbraw/zinc/81/98/20/1051819820.db2.gz ATWGELIAVOVZSR-UHFFFAOYSA-N 1 0 334.435 4.020 20 10 EICDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC001183379620 1051839891 /nfs/dbraw/zinc/83/98/91/1051839891.db2.gz PMRUYEQMXUNUPM-IBGZPJMESA-N 1 0 344.886 4.190 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001183420149 1051841112 /nfs/dbraw/zinc/84/11/12/1051841112.db2.gz XCZIWOSAFPCCGA-FQEVSTJZSA-N 1 0 347.886 4.252 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000071966769 1051881456 /nfs/dbraw/zinc/88/14/56/1051881456.db2.gz BRDOLMMJURHECG-LJQANCHMSA-N 1 0 331.843 4.236 20 10 EICDRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000184316751 1051908070 /nfs/dbraw/zinc/90/80/70/1051908070.db2.gz CRZZDQQULRXCCW-HNNXBMFYSA-N 1 0 348.487 4.080 20 10 EICDRO CC(C)c1ccc(O)c(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC001183959660 1051931728 /nfs/dbraw/zinc/93/17/28/1051931728.db2.gz RLBCYEFGMDOFGA-UHFFFAOYSA-N 1 0 349.434 4.165 20 10 EICDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC001184265625 1051980645 /nfs/dbraw/zinc/98/06/45/1051980645.db2.gz UCLIDKRZJGETFW-RDTXWAMCSA-N 1 0 336.907 4.178 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1O ZINC000184581068 1052086942 /nfs/dbraw/zinc/08/69/42/1052086942.db2.gz ADVMPOHVCGHZMC-ZHRRBRCNSA-N 1 0 333.431 4.443 20 10 EICDRO C[C@H](CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000774821142 1052170854 /nfs/dbraw/zinc/17/08/54/1052170854.db2.gz NMXHSXJMNPQFPU-LJQANCHMSA-N 1 0 338.495 4.149 20 10 EICDRO COc1c(O)c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883495 1052243919 /nfs/dbraw/zinc/24/39/19/1052243919.db2.gz FZMUGJDVYKLOKE-CQSZACIVSA-N 1 0 346.383 4.019 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000184835957 1052245964 /nfs/dbraw/zinc/24/59/64/1052245964.db2.gz ZLKLXXZAGMTFOY-RDJZCZTQSA-N 1 0 330.497 4.250 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184897815 1052298569 /nfs/dbraw/zinc/29/85/69/1052298569.db2.gz OTJAVBWZXIBWCY-CABCVRRESA-N 1 0 341.451 4.274 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000185073542 1052394010 /nfs/dbraw/zinc/39/40/10/1052394010.db2.gz FURNILQEYLQGRK-MRXNPFEDSA-N 1 0 342.458 4.155 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000185128917 1052448713 /nfs/dbraw/zinc/44/87/13/1052448713.db2.gz RCRLSYUOCSHIIH-HZPDHXFCSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185156771 1052494307 /nfs/dbraw/zinc/49/43/07/1052494307.db2.gz YRNPNNKGMUQEPL-JKSUJKDBSA-N 1 0 338.451 4.239 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000185157205 1052494522 /nfs/dbraw/zinc/49/45/22/1052494522.db2.gz YTONRFSRJHZMPU-HOTGVXAUSA-N 1 0 338.451 4.239 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000185169698 1052508625 /nfs/dbraw/zinc/50/86/25/1052508625.db2.gz VWOMAUCHRFBXSA-HNNXBMFYSA-N 1 0 326.465 4.156 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245867 1052549928 /nfs/dbraw/zinc/54/99/28/1052549928.db2.gz TWAJGBFQALPOCR-LSDHHAIUSA-N 1 0 348.487 4.156 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N2CCCC2)o1 ZINC000185297894 1052571743 /nfs/dbraw/zinc/57/17/43/1052571743.db2.gz FERHOQOSWSVQHY-FUHWJXTLSA-N 1 0 328.456 4.090 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1O ZINC000185407028 1052595495 /nfs/dbraw/zinc/59/54/95/1052595495.db2.gz GFEWKQUMFINDER-ZUOKHONESA-N 1 0 325.383 4.069 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185525867 1052628262 /nfs/dbraw/zinc/62/82/62/1052628262.db2.gz SLSAWULEXPYQQJ-OXQOHEQNSA-N 1 0 339.479 4.088 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c1 ZINC000185720617 1052685465 /nfs/dbraw/zinc/68/54/65/1052685465.db2.gz VUZITRZVXNDNCI-GUYCJALGSA-N 1 0 327.449 4.300 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc2ccccc2c1O ZINC000186094827 1052870720 /nfs/dbraw/zinc/87/07/20/1052870720.db2.gz WJMVHADWBZXORW-SHACYNPGSA-N 1 0 339.460 4.134 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1O ZINC000186094860 1052870727 /nfs/dbraw/zinc/87/07/27/1052870727.db2.gz WJMVHADWBZXORW-JBEBIEQOSA-N 1 0 339.460 4.134 20 10 EICDRO Cc1csc(C2([NH2+]Cc3c(O)ccc4ccncc43)CCCC2)n1 ZINC000764120330 1053032127 /nfs/dbraw/zinc/03/21/27/1053032127.db2.gz IIVVCUFZWWYXDK-UHFFFAOYSA-N 1 0 339.464 4.264 20 10 EICDRO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000764144659 1053033594 /nfs/dbraw/zinc/03/35/94/1053033594.db2.gz YVIYNFXTIDYLNN-IBGZPJMESA-N 1 0 338.495 4.333 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000764140457 1053034390 /nfs/dbraw/zinc/03/43/90/1053034390.db2.gz GYNZUQFHATUKGN-JOCHJYFZSA-N 1 0 338.495 4.016 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000119583953 1053067211 /nfs/dbraw/zinc/06/72/11/1053067211.db2.gz DXJSGZZCYGQTCP-HXUWFJFHSA-N 1 0 346.421 4.042 20 10 EICDRO COc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850098919 1053073799 /nfs/dbraw/zinc/07/37/99/1053073799.db2.gz AJEPCZSXULBTMT-UHFFFAOYSA-N 1 0 338.451 4.469 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850118845 1053076644 /nfs/dbraw/zinc/07/66/44/1053076644.db2.gz KUNBJZZFJAIVNN-CYBMUJFWSA-N 1 0 329.440 4.255 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1 ZINC000850136351 1053076651 /nfs/dbraw/zinc/07/66/51/1053076651.db2.gz SHUNNPOSUAVPHQ-LJQANCHMSA-N 1 0 343.467 4.176 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000119649025 1053082012 /nfs/dbraw/zinc/08/20/12/1053082012.db2.gz DDVQJKJJZYQLRP-FQEVSTJZSA-N 1 0 334.467 4.179 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000850234933 1053094927 /nfs/dbraw/zinc/09/49/27/1053094927.db2.gz OCRFYPUKFDBCGG-CQSZACIVSA-N 1 0 328.456 4.253 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc1N(C)C ZINC001194764506 1053096606 /nfs/dbraw/zinc/09/66/06/1053096606.db2.gz LUHDHCXHYSTPRR-JOCHJYFZSA-N 1 0 336.479 4.031 20 10 EICDRO COC1CC(CC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000850342987 1053124837 /nfs/dbraw/zinc/12/48/37/1053124837.db2.gz XJRUDWOFWBDFOX-UHFFFAOYSA-N 1 0 344.524 4.289 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000764528856 1053171722 /nfs/dbraw/zinc/17/17/22/1053171722.db2.gz VWKYBOZWQOJOCQ-PXNSSMCTSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000764559049 1053174155 /nfs/dbraw/zinc/17/41/55/1053174155.db2.gz ONYSNNYHQCRICK-PGRDOPGGSA-N 1 0 338.495 4.451 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764574421 1053202111 /nfs/dbraw/zinc/20/21/11/1053202111.db2.gz RRUIWXUGTCIKPQ-QZTJIDSGSA-N 1 0 331.529 4.158 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000764629569 1053241629 /nfs/dbraw/zinc/24/16/29/1053241629.db2.gz VLFCABAIOCAJDP-AWEZNQCLSA-N 1 0 334.410 4.247 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484171 1053255775 /nfs/dbraw/zinc/25/57/75/1053255775.db2.gz DJEVWMLIHVIMKF-WMLDXEAASA-N 1 0 342.870 4.149 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000850485317 1053257430 /nfs/dbraw/zinc/25/74/30/1053257430.db2.gz DNQSGOGWVPQUOQ-VIFPVBQESA-N 1 0 345.752 4.014 20 10 EICDRO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000850515014 1053273217 /nfs/dbraw/zinc/27/32/17/1053273217.db2.gz TWIXQKISBKUXSP-RBUKOAKNSA-N 1 0 329.440 4.138 20 10 EICDRO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515279 1053273723 /nfs/dbraw/zinc/27/37/23/1053273723.db2.gz VKHMTQJIIPLIIS-NHCUHLMSSA-N 1 0 342.483 4.190 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000764716835 1053278093 /nfs/dbraw/zinc/27/80/93/1053278093.db2.gz LZLDCQBWNLTIEK-TZIWHRDSSA-N 1 0 326.484 4.041 20 10 EICDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742642 1053286013 /nfs/dbraw/zinc/28/60/13/1053286013.db2.gz AIVBUHYRRVVSPR-GCJKJVERSA-N 1 0 337.511 4.240 20 10 EICDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850526194 1053286644 /nfs/dbraw/zinc/28/66/44/1053286644.db2.gz UADGQMQONCAYDX-NVXWUHKLSA-N 1 0 332.463 4.178 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000764750764 1053292322 /nfs/dbraw/zinc/29/23/22/1053292322.db2.gz WQRQKNAUKKMSAL-RTBURBONSA-N 1 0 332.875 4.180 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000764750608 1053294699 /nfs/dbraw/zinc/29/46/99/1053294699.db2.gz VYHHPFGOYXLOOM-IFXJQAMLSA-N 1 0 332.875 4.180 20 10 EICDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850566718 1053320222 /nfs/dbraw/zinc/32/02/22/1053320222.db2.gz RACYAWXQVSCQOH-GOSISDBHSA-N 1 0 338.495 4.115 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850571622 1053327589 /nfs/dbraw/zinc/32/75/89/1053327589.db2.gz SIAUTGSCZXCWBR-DOTOQJQBSA-N 1 0 334.479 4.282 20 10 EICDRO COc1ccc2cc(C[N@H+](C)Cc3cc(OC)ccc3O)ccc2c1 ZINC000775644793 1053333854 /nfs/dbraw/zinc/33/38/54/1053333854.db2.gz VJKBRHMHUPWOJX-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(OC)c(Cl)c2)cc1 ZINC001195224895 1053339105 /nfs/dbraw/zinc/33/91/05/1053339105.db2.gz QJVZZKRASWYQIZ-UHFFFAOYSA-N 1 0 332.875 4.437 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 ZINC000775650368 1053367144 /nfs/dbraw/zinc/36/71/44/1053367144.db2.gz YYIGCAPLNDPTMU-FZKQIMNGSA-N 1 0 327.424 4.282 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccc(C)cc1O ZINC000794804516 1053396099 /nfs/dbraw/zinc/39/60/99/1053396099.db2.gz NKGQOJPLLISHPC-SFHVURJKSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1O ZINC000794803146 1053396389 /nfs/dbraw/zinc/39/63/89/1053396389.db2.gz QPPKRNHFVCOHLO-FPOVZHCZSA-N 1 0 343.467 4.262 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cc(OC)c1 ZINC000775653480 1053399242 /nfs/dbraw/zinc/39/92/42/1053399242.db2.gz IGQSHBRDSGAMIX-UHFFFAOYSA-N 1 0 335.831 4.003 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805667 1053409027 /nfs/dbraw/zinc/40/90/27/1053409027.db2.gz YKBSQEXBELIKPA-UXHICEINSA-N 1 0 349.478 4.459 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000765038287 1053420578 /nfs/dbraw/zinc/42/05/78/1053420578.db2.gz RJOIQXZOOMSCID-CABCVRRESA-N 1 0 337.467 4.049 20 10 EICDRO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cs1 ZINC000109797496 1053421863 /nfs/dbraw/zinc/42/18/63/1053421863.db2.gz MDTSVBVHWIRKHH-UHFFFAOYSA-N 1 0 332.425 4.307 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812348 1053427209 /nfs/dbraw/zinc/42/72/09/1053427209.db2.gz WCOIGSOCNZFLIC-JVPBZIDWSA-N 1 0 331.431 4.393 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C)cc1O ZINC000794811933 1053428249 /nfs/dbraw/zinc/42/82/49/1053428249.db2.gz ALKXUCJUYCKQTC-LRQRDZAKSA-N 1 0 326.484 4.433 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1O ZINC000794816988 1053429577 /nfs/dbraw/zinc/42/95/77/1053429577.db2.gz SGXCOFMXQBDNIF-RTBURBONSA-N 1 0 344.499 4.065 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1O ZINC000794820221 1053435902 /nfs/dbraw/zinc/43/59/02/1053435902.db2.gz ZFUFMIXCZDVWMP-NVXWUHKLSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCCOC)Cc1ccccc1)c1ccccc1O ZINC000794822229 1053438135 /nfs/dbraw/zinc/43/81/35/1053438135.db2.gz AZMDOIJSCZRASH-UYAOXDASSA-N 1 0 327.468 4.471 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000794822822 1053438386 /nfs/dbraw/zinc/43/83/86/1053438386.db2.gz CNRRDABQXYXPKL-MJGOQNOKSA-N 1 0 327.468 4.389 20 10 EICDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765147435 1053451081 /nfs/dbraw/zinc/45/10/81/1053451081.db2.gz PACAQCCKSDFAEM-LAUBAEHRSA-N 1 0 329.532 4.058 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000775667498 1053457828 /nfs/dbraw/zinc/45/78/28/1053457828.db2.gz JTCWKSFRBAHWHI-UTKZUKDTSA-N 1 0 341.451 4.001 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000121408573 1053460957 /nfs/dbraw/zinc/46/09/57/1053460957.db2.gz DBUPCHCUFZHWOW-CMKODMSKSA-N 1 0 330.516 4.269 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000765278450 1053487671 /nfs/dbraw/zinc/48/76/71/1053487671.db2.gz ZZJDFOTXTPEXGE-SFHVURJKSA-N 1 0 337.511 4.462 20 10 EICDRO CCOc1cccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000120532525 1053492796 /nfs/dbraw/zinc/49/27/96/1053492796.db2.gz BWXGIKVELSAQNT-INIZCTEOSA-N 1 0 347.480 4.034 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000765444705 1053548428 /nfs/dbraw/zinc/54/84/28/1053548428.db2.gz DEDACRLUAQRJQJ-MRXNPFEDSA-N 1 0 344.886 4.070 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2c(s1)CCC2 ZINC000765480501 1053560758 /nfs/dbraw/zinc/56/07/58/1053560758.db2.gz NBJGWBUFYNVZFT-CQSZACIVSA-N 1 0 326.509 4.470 20 10 EICDRO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(Cl)cc1O ZINC000853242477 1053657663 /nfs/dbraw/zinc/65/76/63/1053657663.db2.gz YYGDHLJWNRKWLN-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000853243113 1053659852 /nfs/dbraw/zinc/65/98/52/1053659852.db2.gz XTJZSZIDZZLLHW-ZIAGYGMSSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754118 1053662447 /nfs/dbraw/zinc/66/24/47/1053662447.db2.gz MTSHSUAXACWXNJ-SJLPKXTDSA-N 1 0 329.440 4.193 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853551506 1053686226 /nfs/dbraw/zinc/68/62/26/1053686226.db2.gz HPDCLGWFMJHYMI-OAQYLSRUSA-N 1 0 349.430 4.492 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000853551502 1053686804 /nfs/dbraw/zinc/68/68/04/1053686804.db2.gz HPDCLGWFMJHYMI-NRFANRHFSA-N 1 0 349.430 4.492 20 10 EICDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H](CC(F)(F)F)O1 ZINC000853614418 1053688738 /nfs/dbraw/zinc/68/87/38/1053688738.db2.gz LLAJGAAIPRCODQ-GXTWGEPZSA-N 1 0 339.357 4.087 20 10 EICDRO Cc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1N1CCCCC1 ZINC001196706502 1053728955 /nfs/dbraw/zinc/72/89/55/1053728955.db2.gz JAACXGWYMHOJIS-UHFFFAOYSA-N 1 0 336.479 4.249 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000866568824 1053792202 /nfs/dbraw/zinc/79/22/02/1053792202.db2.gz FFDFLNACYPPBBX-KRWDZBQOSA-N 1 0 348.288 4.151 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000765609287 1053803480 /nfs/dbraw/zinc/80/34/80/1053803480.db2.gz XWHXMGLPRPHYBC-XLIONFOSSA-N 1 0 341.499 4.142 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612215 1053804139 /nfs/dbraw/zinc/80/41/39/1053804139.db2.gz FGRDPCZQPRWVHM-NOZJJQNGSA-N 1 0 330.334 4.150 20 10 EICDRO C[C@H]([NH2+]Cc1noc2cc(F)ccc21)c1cc2c(cc1O)CCCC2 ZINC000866612495 1053806020 /nfs/dbraw/zinc/80/60/20/1053806020.db2.gz KCBYWSROVMASCT-LBPRGKRZSA-N 1 0 340.398 4.402 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1O ZINC000866633134 1053813082 /nfs/dbraw/zinc/81/30/82/1053813082.db2.gz FZHBPEXRGGBCQH-ZIAGYGMSSA-N 1 0 339.361 4.183 20 10 EICDRO C[C@H](CC1CCC1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765640417 1053827682 /nfs/dbraw/zinc/82/76/82/1053827682.db2.gz JYCVUHZEWYUCKS-CQSZACIVSA-N 1 0 338.442 4.425 20 10 EICDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765645937 1053830861 /nfs/dbraw/zinc/83/08/61/1053830861.db2.gz XWLGFUWDZJBVBG-KSSFIOAISA-N 1 0 338.442 4.425 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000765666873 1053834600 /nfs/dbraw/zinc/83/46/00/1053834600.db2.gz QWVRAJMFARMMJZ-LJQANCHMSA-N 1 0 327.472 4.014 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1N1CCCCC1 ZINC001197177629 1053847695 /nfs/dbraw/zinc/84/76/95/1053847695.db2.gz SMWSTECTAJXVMM-BVSLBCMMSA-N 1 0 342.527 4.111 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000776816250 1053944559 /nfs/dbraw/zinc/94/45/59/1053944559.db2.gz OVYSZELYLYVUNV-OAHLLOKOSA-N 1 0 340.364 4.327 20 10 EICDRO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001197865136 1054017777 /nfs/dbraw/zinc/01/77/77/1054017777.db2.gz VXZSEPZXOGLTAV-QGZVFWFLSA-N 1 0 343.540 4.281 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122727333 1054028923 /nfs/dbraw/zinc/02/89/23/1054028923.db2.gz WZXLUKOQOWNSFB-HNNXBMFYSA-N 1 0 327.428 4.128 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122726871 1054028975 /nfs/dbraw/zinc/02/89/75/1054028975.db2.gz BMUJOXRTYRCZDG-OAHLLOKOSA-N 1 0 327.428 4.128 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@H+](Cc2cccc(F)c2)C2CCC2)c1O ZINC001197960336 1054037535 /nfs/dbraw/zinc/03/75/35/1054037535.db2.gz VBQVBBBYFQLYPS-UHFFFAOYSA-N 1 0 345.389 4.428 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000122927940 1054061181 /nfs/dbraw/zinc/06/11/81/1054061181.db2.gz VSHHZDHIINMJJQ-OAHLLOKOSA-N 1 0 339.439 4.136 20 10 EICDRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)sc2c1 ZINC000775836398 1054118074 /nfs/dbraw/zinc/11/80/74/1054118074.db2.gz GOTUCKCJTKKTBE-CYBMUJFWSA-N 1 0 341.480 4.222 20 10 EICDRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775836182 1054118330 /nfs/dbraw/zinc/11/83/30/1054118330.db2.gz KMTGIZZCNNOGOK-INIZCTEOSA-N 1 0 347.462 4.195 20 10 EICDRO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019231170 1054319339 /nfs/dbraw/zinc/31/93/39/1054319339.db2.gz OSGHAXSTYJTGMG-GFCCVEGCSA-N 1 0 333.303 4.299 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC001198999963 1054325047 /nfs/dbraw/zinc/32/50/47/1054325047.db2.gz CHKJNKNBOCZIPL-ONEGZZNKSA-N 1 0 330.859 4.088 20 10 EICDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000872030604 1054347090 /nfs/dbraw/zinc/34/70/90/1054347090.db2.gz IKOBROCSYLLNPP-GFCCVEGCSA-N 1 0 344.436 4.102 20 10 EICDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000872113734 1054393276 /nfs/dbraw/zinc/39/32/76/1054393276.db2.gz RXWBVUZPYGDGRF-IEBWSBKVSA-N 1 0 344.499 4.061 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCSc3ccccc32)cc1F ZINC000858088152 1054411863 /nfs/dbraw/zinc/41/18/63/1054411863.db2.gz RXUARIWJGPBBQB-INIZCTEOSA-N 1 0 334.435 4.358 20 10 EICDRO CCC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccn1 ZINC000858126176 1054420445 /nfs/dbraw/zinc/42/04/45/1054420445.db2.gz VPEQBICZZNMACN-CQSZACIVSA-N 1 0 335.245 4.181 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000858239091 1054444864 /nfs/dbraw/zinc/44/48/64/1054444864.db2.gz IMTDLRRDCWCKNJ-UHFFFAOYSA-N 1 0 343.320 4.071 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858366186 1054474362 /nfs/dbraw/zinc/47/43/62/1054474362.db2.gz XZCYWVMTTPHYDE-KRWDZBQOSA-N 1 0 348.494 4.312 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC000873029828 1054480142 /nfs/dbraw/zinc/48/01/42/1054480142.db2.gz SITNUEWTRTUBTA-FQEVSTJZSA-N 1 0 335.451 4.181 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000873050172 1054482773 /nfs/dbraw/zinc/48/27/73/1054482773.db2.gz QSUWFPXWEKBUAO-HNNXBMFYSA-N 1 0 341.455 4.125 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000873098377 1054486934 /nfs/dbraw/zinc/48/69/34/1054486934.db2.gz PIUKYNYFWJCDAL-FYSMJZIKSA-N 1 0 345.508 4.372 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000858425009 1054487659 /nfs/dbraw/zinc/48/76/59/1054487659.db2.gz AWAVCKLBQXIHJW-YOEHRIQHSA-N 1 0 329.513 4.116 20 10 EICDRO COc1ccccc1C(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199906234 1054487857 /nfs/dbraw/zinc/48/78/57/1054487857.db2.gz HTHDZPJPPKQSDG-CMDGGOBGSA-N 1 0 338.495 4.342 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000858448817 1054492996 /nfs/dbraw/zinc/49/29/96/1054492996.db2.gz GOQDMNXQDXLATN-TZMCWYRMSA-N 1 0 347.768 4.086 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2cccc3ncccc23)ccc1OC ZINC000873174450 1054498785 /nfs/dbraw/zinc/49/87/85/1054498785.db2.gz PCSSNCUKFSWCJA-UHFFFAOYSA-N 1 0 336.435 4.070 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873184893 1054504577 /nfs/dbraw/zinc/50/45/77/1054504577.db2.gz KSQJFIQINSAKNS-LLVKDONJSA-N 1 0 340.345 4.056 20 10 EICDRO Cc1cc(CN[C@@H]2CCCn3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000858543635 1054511335 /nfs/dbraw/zinc/51/13/35/1054511335.db2.gz VACLJSNDSHLPEF-HXUWFJFHSA-N 1 0 334.467 4.224 20 10 EICDRO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000776051699 1054515344 /nfs/dbraw/zinc/51/53/44/1054515344.db2.gz KHPJXPWTTKIODU-UHFFFAOYSA-N 1 0 335.451 4.101 20 10 EICDRO C[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000873287655 1054523063 /nfs/dbraw/zinc/52/30/63/1054523063.db2.gz HLYJZQBSHDZIQJ-AWEZNQCLSA-N 1 0 345.437 4.388 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000858591494 1054529616 /nfs/dbraw/zinc/52/96/16/1054529616.db2.gz UEOLHGGOYQRUEI-LBPRGKRZSA-N 1 0 339.357 4.356 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000858603111 1054531968 /nfs/dbraw/zinc/53/19/68/1054531968.db2.gz RERSDHQVLAWHPA-GFCCVEGCSA-N 1 0 333.378 4.409 20 10 EICDRO Cc1nccn1CCCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000125442106 1054796687 /nfs/dbraw/zinc/79/66/87/1054796687.db2.gz NBRSDCSCWRSEIY-UHFFFAOYSA-N 1 0 340.515 4.094 20 10 EICDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001201664654 1054880158 /nfs/dbraw/zinc/88/01/58/1054880158.db2.gz QGYWXVOXONMOTK-YCRPNKLZSA-N 1 0 340.442 4.492 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788163 1054920005 /nfs/dbraw/zinc/92/00/05/1054920005.db2.gz VWMPWTVBVDZNNE-SJKOYZFVSA-N 1 0 337.822 4.095 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010796 1054978356 /nfs/dbraw/zinc/97/83/56/1054978356.db2.gz QKHGXTJZCHWZIV-GNAXCBTBSA-N 1 0 326.415 4.018 20 10 EICDRO CC[C@](C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877046072 1055006386 /nfs/dbraw/zinc/00/63/86/1055006386.db2.gz HQMQZLAPLYPAKA-QFIPXVFZSA-N 1 0 338.495 4.063 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)cc1C ZINC001202031417 1055011203 /nfs/dbraw/zinc/01/12/03/1055011203.db2.gz JEEUJIZDSAGTSJ-DYESRHJHSA-N 1 0 326.484 4.093 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(N(C)C)cc1 ZINC000877418813 1055049107 /nfs/dbraw/zinc/04/91/07/1055049107.db2.gz HJKFZGUODGVNNK-ZDUSSCGKSA-N 1 0 341.405 4.430 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)c(O)c1 ZINC000877543054 1055075612 /nfs/dbraw/zinc/07/56/12/1055075612.db2.gz VXZSMZDYBPITAK-INIZCTEOSA-N 1 0 338.451 4.068 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1C ZINC001202204136 1055083940 /nfs/dbraw/zinc/08/39/40/1055083940.db2.gz QXZPMYWHZCIJFI-IBGZPJMESA-N 1 0 325.452 4.137 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758387 1055116411 /nfs/dbraw/zinc/11/64/11/1055116411.db2.gz XLQYOWFZQOVCRA-DJPFJPOOSA-N 1 0 336.479 4.411 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC(C)C)c2ccccc2)c1 ZINC000794461407 1055125535 /nfs/dbraw/zinc/12/55/35/1055125535.db2.gz JMIFXQPQKRTAJQ-MGPUTAFESA-N 1 0 329.440 4.218 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000107322169 1055221906 /nfs/dbraw/zinc/22/19/06/1055221906.db2.gz WXSANSRMCKBGQP-CYBMUJFWSA-N 1 0 340.448 4.375 20 10 EICDRO COCc1ccccc1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850020163 1055324585 /nfs/dbraw/zinc/32/45/85/1055324585.db2.gz IOLJCOHOPGTCKJ-UHFFFAOYSA-N 1 0 343.467 4.135 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccccc1O)OC(C)C ZINC000186376187 1055415904 /nfs/dbraw/zinc/41/59/04/1055415904.db2.gz UQNMJCARMVHTTR-QRWLVFNGSA-N 1 0 329.440 4.218 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(N(C)C)cc1 ZINC000765850240 1055911787 /nfs/dbraw/zinc/91/17/87/1055911787.db2.gz SNODMSCCMNZYSE-HXUWFJFHSA-N 1 0 325.500 4.450 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)CO1 ZINC000742167804 1058530591 /nfs/dbraw/zinc/53/05/91/1058530591.db2.gz JBGAQWJYQCMHNI-AOMKIAJQSA-N 1 0 348.446 4.211 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000742380827 1058579904 /nfs/dbraw/zinc/57/99/04/1058579904.db2.gz PSQAWXWEYFKXAK-QFIPXVFZSA-N 1 0 340.511 4.210 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000742385093 1058586504 /nfs/dbraw/zinc/58/65/04/1058586504.db2.gz RUFSFPJMJPEMIH-KRWDZBQOSA-N 1 0 346.421 4.355 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000742371916 1058596197 /nfs/dbraw/zinc/59/61/97/1058596197.db2.gz BVNHYPDZCZEGSI-GOSISDBHSA-N 1 0 348.494 4.297 20 10 EICDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1cccc(Cl)c1 ZINC000742380159 1058604165 /nfs/dbraw/zinc/60/41/65/1058604165.db2.gz LPIZGWUJXZDXIA-LLVKDONJSA-N 1 0 326.223 4.256 20 10 EICDRO Clc1ccc(OCCCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000742700391 1058729732 /nfs/dbraw/zinc/72/97/32/1058729732.db2.gz AAXFZYJZSCBWED-UHFFFAOYSA-N 1 0 331.843 4.224 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870393 1059189195 /nfs/dbraw/zinc/18/91/95/1059189195.db2.gz QCTJUMHXEGYGIU-QGZVFWFLSA-N 1 0 340.467 4.046 20 10 EICDRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766498907 1060399913 /nfs/dbraw/zinc/39/99/13/1060399913.db2.gz MTBJXLSDAJGPAW-PMACEKPBSA-N 1 0 348.556 4.318 20 10 EICDRO CCS[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766498908 1060402650 /nfs/dbraw/zinc/40/26/50/1060402650.db2.gz MTBJXLSDAJGPAW-UXHICEINSA-N 1 0 348.556 4.318 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCCCC2)c(F)c1 ZINC000766601161 1060651149 /nfs/dbraw/zinc/65/11/49/1060651149.db2.gz PKRKWKUSUGBXEX-GIOGAUJUSA-N 1 0 346.490 4.424 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766608757 1060660141 /nfs/dbraw/zinc/66/01/41/1060660141.db2.gz PVWFNTNDQVBCOU-AWEZNQCLSA-N 1 0 331.410 4.201 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)cc2)CC1 ZINC001169556516 1060856645 /nfs/dbraw/zinc/85/66/45/1060856645.db2.gz TYGVMSLPDUBHJN-LLGFUMIMSA-N 1 0 330.516 4.216 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c(O)c1 ZINC000038039030 202093095 /nfs/dbraw/zinc/09/30/95/202093095.db2.gz IUBZVWBCULSABE-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)c(O)c1 ZINC000038018456 202387403 /nfs/dbraw/zinc/38/74/03/202387403.db2.gz YQTJKMPYQDXWSH-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO CC(C)c1ccc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000729686346 1032240202 /nfs/dbraw/zinc/24/02/02/1032240202.db2.gz DVPAFBMMWIEYSS-UHFFFAOYSA-N 1 0 327.424 4.269 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529644900 1032493121 /nfs/dbraw/zinc/49/31/21/1032493121.db2.gz QNJOWTDJCNSCKH-QGZVFWFLSA-N 1 0 347.256 4.181 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529644899 1032493493 /nfs/dbraw/zinc/49/34/93/1032493493.db2.gz QNJOWTDJCNSCKH-KRWDZBQOSA-N 1 0 347.256 4.181 20 10 EICDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179917127 1032574665 /nfs/dbraw/zinc/57/46/65/1032574665.db2.gz HSTLIODMDSEFLR-ZDUSSCGKSA-N 1 0 326.371 4.052 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC[C@H](C)c3ccccc3)CC2)cc1 ZINC000237259746 1032854053 /nfs/dbraw/zinc/85/40/53/1032854053.db2.gz BBPOBMFNYYUWSR-SFHVURJKSA-N 1 0 338.495 4.447 20 10 EICDRO COc1ccc(C[NH2+]CCCc2cn(-c3ccccc3)nc2C)cc1C ZINC000237381495 1032860523 /nfs/dbraw/zinc/86/05/23/1032860523.db2.gz ZWYYHMYWNLOCDU-UHFFFAOYSA-N 1 0 349.478 4.220 20 10 EICDRO C[C@H](O)C[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000275065374 1020072493 /nfs/dbraw/zinc/07/24/93/1020072493.db2.gz XVZUUAVCASLNCC-ABSDTBQOSA-N 1 0 327.468 4.063 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1O ZINC000376162758 1021636373 /nfs/dbraw/zinc/63/63/73/1021636373.db2.gz OGPNCBJFQFAXIM-IBGZPJMESA-N 1 0 342.414 4.150 20 10 EICDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(OC)c(C)cc1O)CCC2 ZINC000160425627 1021765898 /nfs/dbraw/zinc/76/58/98/1021765898.db2.gz RUZKBXCTFYOJCX-HNNXBMFYSA-N 1 0 346.496 4.238 20 10 EICDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000177922019 1021809635 /nfs/dbraw/zinc/80/96/35/1021809635.db2.gz RSFICDBKGNUHNP-HNNXBMFYSA-N 1 0 344.421 4.297 20 10 EICDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000178036525 1021873454 /nfs/dbraw/zinc/87/34/54/1021873454.db2.gz PJTNHLKKTJSBAW-CVEARBPZSA-N 1 0 342.483 4.490 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000398045542 1022042689 /nfs/dbraw/zinc/04/26/89/1022042689.db2.gz VMJJDFCJCRLBAU-UGKGYDQZSA-N 1 0 349.522 4.039 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCSc3ccccc3)CC2)cc1 ZINC000160517885 1022077380 /nfs/dbraw/zinc/07/73/80/1022077380.db2.gz MOHPOPACKLNGQZ-UHFFFAOYSA-N 1 0 342.508 4.046 20 10 EICDRO CC(C)CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000725852510 1022106509 /nfs/dbraw/zinc/10/65/09/1022106509.db2.gz CDCSHTVUYQXILR-UHFFFAOYSA-N 1 0 325.452 4.336 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1cc(F)ccc1F ZINC000179803389 1022384133 /nfs/dbraw/zinc/38/41/33/1022384133.db2.gz GDXRFCABNXWSQH-KRWDZBQOSA-N 1 0 337.341 4.253 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)c4ccccc34)cc2)CC1 ZINC001167431068 1022390638 /nfs/dbraw/zinc/39/06/38/1022390638.db2.gz FJTQSYJPXFYVOM-UHFFFAOYSA-N 1 0 349.453 4.343 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2OC(C)C)c(O)c1OC ZINC000892599329 1022416936 /nfs/dbraw/zinc/41/69/36/1022416936.db2.gz JKVORFDLHWYSQH-CQSZACIVSA-N 1 0 345.439 4.047 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)c(O)c1OC ZINC000892607236 1022490906 /nfs/dbraw/zinc/49/09/06/1022490906.db2.gz JTNXCFFBAWUNMZ-OAHLLOKOSA-N 1 0 345.439 4.114 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855264 1022856702 /nfs/dbraw/zinc/85/67/02/1022856702.db2.gz NIAFUAAPEIKGLW-UZLBHIALSA-N 1 0 335.451 4.183 20 10 EICDRO COc1ccc2cc(C[NH2+][C@H](C)c3cc(OC)ccc3O)ccc2c1 ZINC000184912323 1022970488 /nfs/dbraw/zinc/97/04/88/1022970488.db2.gz UEYUWMYGBNKZOL-CQSZACIVSA-N 1 0 337.419 4.413 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166622216 1023115685 /nfs/dbraw/zinc/11/56/85/1023115685.db2.gz DPIMDABUPSSVIB-AVRDEDQJSA-N 1 0 338.495 4.319 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382449422 1023144363 /nfs/dbraw/zinc/14/43/63/1023144363.db2.gz CXXLAVLLNDXWPP-JYJNAYRXSA-N 1 0 348.487 4.045 20 10 EICDRO COC1CCC(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000891395350 1023206770 /nfs/dbraw/zinc/20/67/70/1023206770.db2.gz YXOOABGMEWIMBP-UHFFFAOYSA-N 1 0 329.440 4.193 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC(C)(C)c3cccs3)CC2)cc1 ZINC000169189208 1023242889 /nfs/dbraw/zinc/24/28/89/1023242889.db2.gz JAKBHSQAVBCIEF-UHFFFAOYSA-N 1 0 344.524 4.293 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000376787119 1023310574 /nfs/dbraw/zinc/31/05/74/1023310574.db2.gz JSROUVMNSPJSBR-KBPBESRZSA-N 1 0 325.387 4.129 20 10 EICDRO C[N@H+](Cc1c(O)cccc1Br)[C@H]1CCc2ccccc21 ZINC000707144071 1023491522 /nfs/dbraw/zinc/49/15/22/1023491522.db2.gz YLAHNTXEMWYJSL-INIZCTEOSA-N 1 0 332.241 4.274 20 10 EICDRO CCc1noc(C)c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000162626934 1023622083 /nfs/dbraw/zinc/62/20/83/1023622083.db2.gz BOYRIBRGGGTEKZ-UHFFFAOYSA-N 1 0 327.472 4.168 20 10 EICDRO CC[C@H]([NH2+]Cc1cnccc1C)c1cc(Br)ccc1O ZINC000162621966 1023623573 /nfs/dbraw/zinc/62/35/73/1023623573.db2.gz UBFXIJTZQONEKG-HNNXBMFYSA-N 1 0 335.245 4.099 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Br)c1 ZINC000020146031 1023738787 /nfs/dbraw/zinc/73/87/87/1023738787.db2.gz UZCCGUCZWSXESB-ZDUSSCGKSA-N 1 0 333.273 4.366 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1C ZINC000377765725 1023745791 /nfs/dbraw/zinc/74/57/91/1023745791.db2.gz VBWCPTQXSJYSGW-NRFANRHFSA-N 1 0 337.463 4.193 20 10 EICDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000756612298 1023781223 /nfs/dbraw/zinc/78/12/23/1023781223.db2.gz UZDOSEWDOJEOOR-YUSALJHKSA-N 1 0 330.291 4.089 20 10 EICDRO CCO[C@H](CC[NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000756627303 1023823059 /nfs/dbraw/zinc/82/30/59/1023823059.db2.gz HAPOJPNTDYPNJC-MLGOLLRUSA-N 1 0 344.293 4.257 20 10 EICDRO COc1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c(O)c1OC ZINC000893401477 1023943416 /nfs/dbraw/zinc/94/34/16/1023943416.db2.gz IWGBQGNWTJJAHS-SFHVURJKSA-N 1 0 341.451 4.431 20 10 EICDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178471710 1024792891 /nfs/dbraw/zinc/79/28/91/1024792891.db2.gz QFASDKQWLRTBPL-AWEZNQCLSA-N 1 0 333.476 4.166 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000276974804 1024848194 /nfs/dbraw/zinc/84/81/94/1024848194.db2.gz UTIDXQYFKJBTGK-IBGZPJMESA-N 1 0 330.497 4.216 20 10 EICDRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553572 1026191455 /nfs/dbraw/zinc/19/14/55/1026191455.db2.gz KCXUGLTVKHVGMC-KBPBESRZSA-N 1 0 346.446 4.321 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O ZINC000302103827 1026282207 /nfs/dbraw/zinc/28/22/07/1026282207.db2.gz KTNQPQLUGBBFHH-HYVNUMGLSA-N 1 0 348.487 4.221 20 10 EICDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000107821281 1026572394 /nfs/dbraw/zinc/57/23/94/1026572394.db2.gz LAOFEOMVJKXEHF-UXHICEINSA-N 1 0 330.516 4.218 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000158817193 1026679260 /nfs/dbraw/zinc/67/92/60/1026679260.db2.gz XGNOEZQHRXGVOC-SJORKVTESA-N 1 0 349.482 4.135 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000279781671 1026693824 /nfs/dbraw/zinc/69/38/24/1026693824.db2.gz LKEDQVNHXZCZSP-UHFFFAOYSA-N 1 0 339.414 4.027 20 10 EICDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000161403090 1027340723 /nfs/dbraw/zinc/34/07/23/1027340723.db2.gz BMUFXDHSPSPALE-RXVVDRJESA-N 1 0 338.495 4.104 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@H]3CCC[C@H](C)C3)CC2)cc1F ZINC001168069351 1027539708 /nfs/dbraw/zinc/53/97/08/1027539708.db2.gz VETHRVHSLJAHFX-DLBZAZTESA-N 1 0 334.479 4.173 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000327320036 1027858560 /nfs/dbraw/zinc/85/85/60/1027858560.db2.gz UPNFLFVZVBQNTA-OXJNMPFZSA-N 1 0 342.483 4.135 20 10 EICDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000122448451 1027885316 /nfs/dbraw/zinc/88/53/16/1027885316.db2.gz UFYRLCFACXEBHC-AWEZNQCLSA-N 1 0 333.476 4.078 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnc2ccsc2c1 ZINC000122468077 1027887908 /nfs/dbraw/zinc/88/79/08/1027887908.db2.gz MFXLURSEEFRGSB-GFCCVEGCSA-N 1 0 329.444 4.352 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000192720634 1029367311 /nfs/dbraw/zinc/36/73/11/1029367311.db2.gz IHBQXJQSHQEMIV-RYUDHWBXSA-N 1 0 337.366 4.414 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000475192996 1029399912 /nfs/dbraw/zinc/39/99/12/1029399912.db2.gz HZEUDGNEBPZPSJ-NZSAHSFTSA-N 1 0 326.484 4.172 20 10 EICDRO CCOc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccc1OC ZINC000475200781 1029433173 /nfs/dbraw/zinc/43/31/73/1029433173.db2.gz BUJJTVCGNWOIGQ-UHFFFAOYSA-N 1 0 338.451 4.184 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1O ZINC000278597507 1029575775 /nfs/dbraw/zinc/57/57/75/1029575775.db2.gz HOSGIHMLSSNOKA-UHFFFAOYSA-N 1 0 327.758 4.012 20 10 EICDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000840859102 1029627937 /nfs/dbraw/zinc/62/79/37/1029627937.db2.gz GLNCIXWWGAQREG-USBNGQNGSA-N 1 0 342.277 4.009 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(N(C)C)cc1 ZINC000168420325 1029610173 /nfs/dbraw/zinc/61/01/73/1029610173.db2.gz CYAZYDSJQIQDQE-HNNXBMFYSA-N 1 0 329.513 4.134 20 10 EICDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000840859096 1029627920 /nfs/dbraw/zinc/62/79/20/1029627920.db2.gz GLNCIXWWGAQREG-GDLVEWKHSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCN(Cc3ccsc3)CC2)cc1C(C)C ZINC000022777924 1030334848 /nfs/dbraw/zinc/33/48/48/1030334848.db2.gz KJEURVQYXYULCD-UHFFFAOYSA-N 1 0 344.524 4.203 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)ccc1F ZINC000530360365 1030338190 /nfs/dbraw/zinc/33/81/90/1030338190.db2.gz RIVPRFBOKKRTAO-AWEZNQCLSA-N 1 0 326.415 4.485 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000530412801 1030384792 /nfs/dbraw/zinc/38/47/92/1030384792.db2.gz JVUOFHRAOGJQJY-OAHLLOKOSA-N 1 0 347.462 4.222 20 10 EICDRO CC[C@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1O ZINC000796683154 1030740986 /nfs/dbraw/zinc/74/09/86/1030740986.db2.gz NEBUTOSJKXJSOK-HKUYNNGSSA-N 1 0 339.414 4.095 20 10 EICDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000740898140 1031372606 /nfs/dbraw/zinc/37/26/06/1031372606.db2.gz FCYFPYACEUVETQ-HUUCEWRRSA-N 1 0 335.532 4.484 20 10 EICDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000780386159 1031629699 /nfs/dbraw/zinc/62/96/99/1031629699.db2.gz VHEFLGHLOKGCAI-BXKDBHETSA-N 1 0 349.780 4.411 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccc(C)cc1O ZINC000366495610 1033392827 /nfs/dbraw/zinc/39/28/27/1033392827.db2.gz XRWQMQFNLLTGTD-AEFFLSMTSA-N 1 0 327.472 4.076 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1ccc(C)cc1O ZINC000280237017 1035210203 /nfs/dbraw/zinc/21/02/03/1035210203.db2.gz VQKMCVQVAHJXLM-QRFRQXIXSA-N 1 0 327.468 4.296 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(C)cc1O ZINC000280269188 1035217767 /nfs/dbraw/zinc/21/77/67/1035217767.db2.gz XTXZJQBEEZTYQU-QGZVFWFLSA-N 1 0 327.424 4.103 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000156342362 1035891977 /nfs/dbraw/zinc/89/19/77/1035891977.db2.gz OLEVVDHZMUEWQL-NVXWUHKLSA-N 1 0 327.449 4.381 20 10 EICDRO COc1cc(Cl)cc(CN2CCOc3ccccc3[C@H]2C)c1O ZINC000761191747 1036011703 /nfs/dbraw/zinc/01/17/03/1036011703.db2.gz AJBONJSLBSBODY-GFCCVEGCSA-N 1 0 333.815 4.010 20 10 EICDRO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC000761194246 1036016783 /nfs/dbraw/zinc/01/67/83/1036016783.db2.gz SBVFHASMHBDMBE-MRXNPFEDSA-N 1 0 347.842 4.400 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1O ZINC000761195207 1036020387 /nfs/dbraw/zinc/02/03/87/1036020387.db2.gz IXZUHDMGYFCWKN-UHFFFAOYSA-N 1 0 347.842 4.172 20 10 EICDRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000129187033 1036858584 /nfs/dbraw/zinc/85/85/84/1036858584.db2.gz YTFKFWMLGUGYGI-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO CC[C@@H]([NH2+]CC1CCSCC1)c1cc(Br)ccc1O ZINC000229215488 1036898344 /nfs/dbraw/zinc/89/83/44/1036898344.db2.gz PRVAJKAMUFDLPT-CQSZACIVSA-N 1 0 344.318 4.339 20 10 EICDRO C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2ccccc2c1O ZINC000323834275 1036899511 /nfs/dbraw/zinc/89/95/11/1036899511.db2.gz BRQVOEZXUDENEL-QGZVFWFLSA-N 1 0 326.484 4.318 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ccccc1O ZINC000272810452 1037301529 /nfs/dbraw/zinc/30/15/29/1037301529.db2.gz CZPNEYZOZONNKL-XHDPSFHLSA-N 1 0 348.240 4.329 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273297652 1037400908 /nfs/dbraw/zinc/40/09/08/1037400908.db2.gz ANYCFWIIGCRMDS-MRXNPFEDSA-N 1 0 327.472 4.101 20 10 EICDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc(OC)c1OC ZINC000273385107 1037448153 /nfs/dbraw/zinc/44/81/53/1037448153.db2.gz JIZQDRCWDDYYJC-UONOGXRCSA-N 1 0 345.439 4.138 20 10 EICDRO COCC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425212 1037459752 /nfs/dbraw/zinc/45/97/52/1037459752.db2.gz KBKFXELNVOHRNC-RDTXWAMCSA-N 1 0 329.440 4.292 20 10 EICDRO COCC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425202 1037460323 /nfs/dbraw/zinc/46/03/23/1037460323.db2.gz KBKFXELNVOHRNC-KBXCAEBGSA-N 1 0 329.440 4.292 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000157362126 1037472046 /nfs/dbraw/zinc/47/20/46/1037472046.db2.gz PWHYZGUHYWLLIV-QZTJIDSGSA-N 1 0 338.495 4.446 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1O ZINC000273719874 1037563659 /nfs/dbraw/zinc/56/36/59/1037563659.db2.gz HWXFKLXWALFGPZ-HNNXBMFYSA-N 1 0 339.863 4.026 20 10 EICDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)c1 ZINC000016873917 1037769107 /nfs/dbraw/zinc/76/91/07/1037769107.db2.gz KITDFJPYVORJBF-LJQANCHMSA-N 1 0 341.451 4.363 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163626425 1038398687 /nfs/dbraw/zinc/39/86/87/1038398687.db2.gz XHCZJXLYOUPQMF-INIZCTEOSA-N 1 0 342.508 4.099 20 10 EICDRO CCN(CC)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000322675358 1038818605 /nfs/dbraw/zinc/81/86/05/1038818605.db2.gz FPSSWKRHOVCMLB-GOSISDBHSA-N 1 0 332.875 4.218 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000697873324 1039880706 /nfs/dbraw/zinc/88/07/06/1039880706.db2.gz UYZIDJWITHHGST-BXKDBHETSA-N 1 0 341.274 4.413 20 10 EICDRO COC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000479434931 1040340932 /nfs/dbraw/zinc/34/09/32/1040340932.db2.gz FIBKWJAIMLLEGZ-GOSISDBHSA-N 1 0 344.405 4.242 20 10 EICDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000090086262 1041785273 /nfs/dbraw/zinc/78/52/73/1041785273.db2.gz HSRDBYXNPPRYOL-HOTGVXAUSA-N 1 0 336.495 4.264 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(C)n1-c1ccccc1 ZINC000017318010 1042438010 /nfs/dbraw/zinc/43/80/10/1042438010.db2.gz RJTSXDLLBDDKOL-UHFFFAOYSA-N 1 0 333.479 4.450 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000760038481 1042866313 /nfs/dbraw/zinc/86/63/13/1042866313.db2.gz BJCDUVNYFXFYMN-KDOFPFPSSA-N 1 0 334.891 4.160 20 10 EICDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237183184 1042875179 /nfs/dbraw/zinc/87/51/79/1042875179.db2.gz JSTQPZKLXCQXNY-OAHLLOKOSA-N 1 0 343.492 4.148 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186853678 1043081235 /nfs/dbraw/zinc/08/12/35/1043081235.db2.gz GIZHOQFOUXOCSI-LRDDRELGSA-N 1 0 339.357 4.398 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163639020 1043254217 /nfs/dbraw/zinc/25/42/17/1043254217.db2.gz WEAKCTVFOOTOHU-IRXDYDNUSA-N 1 0 345.531 4.021 20 10 EICDRO CCC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000727830830 1043312303 /nfs/dbraw/zinc/31/23/03/1043312303.db2.gz QBROVVRVSMQNNH-UHFFFAOYSA-N 1 0 329.831 4.106 20 10 EICDRO CCCCc1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731848517 1043834026 /nfs/dbraw/zinc/83/40/26/1043834026.db2.gz ZPXMCMGVDZSPLH-UHFFFAOYSA-N 1 0 329.444 4.063 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cccc2nsnc21)C1CCCC1 ZINC000766066151 1043861989 /nfs/dbraw/zinc/86/19/89/1043861989.db2.gz DGSIIQMIAYRKPY-UHFFFAOYSA-N 1 0 339.464 4.342 20 10 EICDRO c1csc(SCCC[NH2+][C@@H]2CSCCc3ccccc32)n1 ZINC000766071740 1043877850 /nfs/dbraw/zinc/87/78/50/1043877850.db2.gz AICVGMQEVFWOFU-OAHLLOKOSA-N 1 0 336.551 4.246 20 10 EICDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000766074191 1043878591 /nfs/dbraw/zinc/87/85/91/1043878591.db2.gz UCJLKPQJHUQBGK-UONOGXRCSA-N 1 0 336.526 4.416 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(F)cc1N(C)C ZINC000766073604 1043880497 /nfs/dbraw/zinc/88/04/97/1043880497.db2.gz QSWBMAGJQMTVAR-LBPRGKRZSA-N 1 0 339.505 4.181 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205720 1043886777 /nfs/dbraw/zinc/88/67/77/1043886777.db2.gz YFWOAWOPDILJAP-IBGZPJMESA-N 1 0 347.405 4.149 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)s1 ZINC000732202640 1043886805 /nfs/dbraw/zinc/88/68/05/1043886805.db2.gz AFQIRIXNBBVGQM-GOSISDBHSA-N 1 0 331.481 4.252 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000732408304 1043922355 /nfs/dbraw/zinc/92/23/55/1043922355.db2.gz HEKQUEYFAZBORK-UHFFFAOYSA-N 1 0 349.478 4.417 20 10 EICDRO c1csc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922163127 1043928644 /nfs/dbraw/zinc/92/86/44/1043928644.db2.gz ZSOPRDCTNTXQMU-SJLPKXTDSA-N 1 0 329.465 4.083 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000732918640 1044032424 /nfs/dbraw/zinc/03/24/24/1044032424.db2.gz JXZHBYQEHBLQOX-JKSUJKDBSA-N 1 0 328.431 4.074 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980091 1044060056 /nfs/dbraw/zinc/06/00/56/1044060056.db2.gz HBTQDDWIRRXKGB-LJQANCHMSA-N 1 0 329.390 4.496 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccccc1Br ZINC000733326359 1044192267 /nfs/dbraw/zinc/19/22/67/1044192267.db2.gz YSHOGXSZXZUPQE-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c(O)c1 ZINC000186520553 1044250050 /nfs/dbraw/zinc/25/00/50/1044250050.db2.gz ZUHNSDZJPUXCGY-QGZVFWFLSA-N 1 0 341.451 4.265 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c(C(F)(F)F)c1 ZINC001203222126 1044301954 /nfs/dbraw/zinc/30/19/54/1044301954.db2.gz JWYIOLWKEKHBDN-CYBMUJFWSA-N 1 0 336.348 4.152 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136007 1044323802 /nfs/dbraw/zinc/32/38/02/1044323802.db2.gz GVACKCQUWVHXGO-AVRDEDQJSA-N 1 0 348.494 4.431 20 10 EICDRO CC[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138497 1044330221 /nfs/dbraw/zinc/33/02/21/1044330221.db2.gz OLSXYZRBLHKFKX-FCHUYYIVSA-N 1 0 348.494 4.431 20 10 EICDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(C)cc(OC)c3O)C2)c1 ZINC000840145976 1044681983 /nfs/dbraw/zinc/68/19/83/1044681983.db2.gz IAXWJCLLANSRMY-SAABIXHNSA-N 1 0 341.451 4.096 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000735170381 1044755043 /nfs/dbraw/zinc/75/50/43/1044755043.db2.gz WDOUPOHYGBSYAG-UHFFFAOYSA-N 1 0 339.302 4.209 20 10 EICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706828416 1044781382 /nfs/dbraw/zinc/78/13/82/1044781382.db2.gz CPFLXKHPDPVZDZ-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000706828502 1044781550 /nfs/dbraw/zinc/78/15/50/1044781550.db2.gz FNRNZHZXMIONNE-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO Cc1csc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000735320888 1044792700 /nfs/dbraw/zinc/79/27/00/1044792700.db2.gz QPWMAMHYJZNLRM-UHFFFAOYSA-N 1 0 325.481 4.191 20 10 EICDRO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000914843945 1044811394 /nfs/dbraw/zinc/81/13/94/1044811394.db2.gz HKTSECJNXGYBKJ-UHFFFAOYSA-N 1 0 347.462 4.408 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cc(C)ccc1C ZINC000895634465 1044827293 /nfs/dbraw/zinc/82/72/93/1044827293.db2.gz KDXUJLUCCMLJCY-QGZVFWFLSA-N 1 0 329.440 4.267 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2n1C ZINC000735925332 1044878771 /nfs/dbraw/zinc/87/87/71/1044878771.db2.gz CLUMBVABUBBMJA-QGZVFWFLSA-N 1 0 348.494 4.414 20 10 EICDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000765998295 1044914959 /nfs/dbraw/zinc/91/49/59/1044914959.db2.gz KVZZZWXCILLFJY-PGRDOPGGSA-N 1 0 338.495 4.235 20 10 EICDRO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000765998157 1044917500 /nfs/dbraw/zinc/91/75/00/1044917500.db2.gz QSGSMJAOBNYIOT-GOSISDBHSA-N 1 0 339.483 4.192 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1F ZINC000740000418 1045172600 /nfs/dbraw/zinc/17/26/00/1045172600.db2.gz BZSBUDPCEHVPKB-SFHVURJKSA-N 1 0 349.519 4.126 20 10 EICDRO CCOc1cc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)ccc1O ZINC000740004197 1045174311 /nfs/dbraw/zinc/17/43/11/1045174311.db2.gz IGNCDAYIKCRPER-UHFFFAOYSA-N 1 0 346.446 4.066 20 10 EICDRO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cccs1 ZINC000740016305 1045179324 /nfs/dbraw/zinc/17/93/24/1045179324.db2.gz MXUTZLHDWLQDAG-HXUWFJFHSA-N 1 0 339.460 4.118 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000762486939 1045257773 /nfs/dbraw/zinc/25/77/73/1045257773.db2.gz RFLSLPRBTCFWLJ-XMSQKQJNSA-N 1 0 338.495 4.228 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762613377 1045314504 /nfs/dbraw/zinc/31/45/04/1045314504.db2.gz IYILNPWTDFCRIN-QRVBRYPASA-N 1 0 348.581 4.146 20 10 EICDRO CC[N@H+](Cc1ccncc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000915791479 1045465619 /nfs/dbraw/zinc/46/56/19/1045465619.db2.gz PNNNHWOBZZPUQA-UHFFFAOYSA-N 1 0 328.456 4.115 20 10 EICDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(OC)c2O)cc1 ZINC000732526431 1045470222 /nfs/dbraw/zinc/47/02/22/1045470222.db2.gz DLQVBLKLKOXVPK-IBGZPJMESA-N 1 0 341.451 4.445 20 10 EICDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935474 1045626236 /nfs/dbraw/zinc/62/62/36/1045626236.db2.gz WTGSFNOVASLJLZ-OXQOHEQNSA-N 1 0 325.452 4.185 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000790995768 1045649429 /nfs/dbraw/zinc/64/94/29/1045649429.db2.gz QVYWDYHUPIKUIA-UHFFFAOYSA-N 1 0 332.241 4.322 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1F ZINC000767930548 1045685515 /nfs/dbraw/zinc/68/55/15/1045685515.db2.gz WHRHTTMIASLILG-KRWDZBQOSA-N 1 0 334.479 4.253 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cc(C)cc(C)c2)c1O ZINC001169985753 1045719054 /nfs/dbraw/zinc/71/90/54/1045719054.db2.gz DOMVAEQHBZKQDH-UHFFFAOYSA-N 1 0 331.843 4.497 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000768161304 1045729873 /nfs/dbraw/zinc/72/98/73/1045729873.db2.gz WXYCNLRKPNYZHR-UHFFFAOYSA-N 1 0 337.366 4.024 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000768203483 1045741700 /nfs/dbraw/zinc/74/17/00/1045741700.db2.gz HZXQTTWQXFLUDC-HNNXBMFYSA-N 1 0 337.872 4.288 20 10 EICDRO COc1ccc2cc(C[N@H+](C)Cc3c(O)cccc3OC)ccc2c1 ZINC000768204209 1045744232 /nfs/dbraw/zinc/74/42/32/1045744232.db2.gz SCVYVURWDDEJDX-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO CC[N@H+](Cc1cccs1)Cc1cc(Br)ccc1O ZINC000768196399 1045752471 /nfs/dbraw/zinc/75/24/71/1045752471.db2.gz CFWSFMHQOMRLOU-UHFFFAOYSA-N 1 0 326.259 4.238 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000768228569 1045759557 /nfs/dbraw/zinc/75/95/57/1045759557.db2.gz GXHQEORKFZRAKU-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000768249611 1045762650 /nfs/dbraw/zinc/76/26/50/1045762650.db2.gz VYJUEWQWWMNVQW-QGZVFWFLSA-N 1 0 329.465 4.081 20 10 EICDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768257709 1045769203 /nfs/dbraw/zinc/76/92/03/1045769203.db2.gz ORYJNAGXMCEWLQ-SFHVURJKSA-N 1 0 336.479 4.249 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)c3c1c(O)ccc3F)CCO2 ZINC000768288163 1045778276 /nfs/dbraw/zinc/77/82/76/1045778276.db2.gz XKNFSMCVXLLGBZ-XFBWCDHKSA-N 1 0 343.398 4.202 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768537740 1045817085 /nfs/dbraw/zinc/81/70/85/1045817085.db2.gz WVVBFOPRDJRGNY-OAQYLSRUSA-N 1 0 337.394 4.022 20 10 EICDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1O ZINC000768873555 1045849752 /nfs/dbraw/zinc/84/97/52/1045849752.db2.gz QFIGICHXTPSJLS-UHFFFAOYSA-N 1 0 338.363 4.192 20 10 EICDRO CC[C@H](C)Oc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC ZINC000768873690 1045851551 /nfs/dbraw/zinc/85/15/51/1045851551.db2.gz UKQUYXPIHXBQTN-HNNXBMFYSA-N 1 0 329.440 4.210 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000768903479 1045855447 /nfs/dbraw/zinc/85/54/47/1045855447.db2.gz NZQTXJVJLKXTHX-UHFFFAOYSA-N 1 0 346.421 4.074 20 10 EICDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000792196328 1045875872 /nfs/dbraw/zinc/87/58/72/1045875872.db2.gz IGQSIMWXEXCHCD-MRXNPFEDSA-N 1 0 343.492 4.299 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1F ZINC000769018673 1045878019 /nfs/dbraw/zinc/87/80/19/1045878019.db2.gz XDYKNGIRPMIZAV-UHFFFAOYSA-N 1 0 346.446 4.018 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000769192867 1045885464 /nfs/dbraw/zinc/88/54/64/1045885464.db2.gz VHBYQDPDEXPINM-IBGZPJMESA-N 1 0 329.415 4.021 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000769188844 1045892500 /nfs/dbraw/zinc/89/25/00/1045892500.db2.gz KKGNYFKYIBOOCK-UHFFFAOYSA-N 1 0 335.806 4.228 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769209448 1045894294 /nfs/dbraw/zinc/89/42/94/1045894294.db2.gz BZUXYQURAIZWID-UWJYYQICSA-N 1 0 341.451 4.001 20 10 EICDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000769211773 1045895188 /nfs/dbraw/zinc/89/51/88/1045895188.db2.gz MHOCLXLBEWKOQN-GHTZIAJQSA-N 1 0 325.452 4.300 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cccc(OC)c3)CC2)c1 ZINC000769226035 1045895656 /nfs/dbraw/zinc/89/56/56/1045895656.db2.gz RHXFVJSJDXKNEV-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769309737 1045914981 /nfs/dbraw/zinc/91/49/81/1045914981.db2.gz FYANRGIPAGIVLH-FQEVSTJZSA-N 1 0 333.435 4.093 20 10 EICDRO OCCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000769326298 1045922432 /nfs/dbraw/zinc/92/24/32/1045922432.db2.gz IGKGORQEPVQBFO-UHFFFAOYSA-N 1 0 338.495 4.062 20 10 EICDRO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccccc2OC)c1O ZINC000769333179 1045925964 /nfs/dbraw/zinc/92/59/64/1045925964.db2.gz FYNYXRJVJVORQY-QGZVFWFLSA-N 1 0 327.424 4.137 20 10 EICDRO Cn1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)c2ccccc21 ZINC000769382883 1045942354 /nfs/dbraw/zinc/94/23/54/1045942354.db2.gz CPICSBQAKGTEEA-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1 ZINC000769403677 1045952912 /nfs/dbraw/zinc/95/29/12/1045952912.db2.gz UQGKUJZPJHKRAG-OAQYLSRUSA-N 1 0 338.495 4.181 20 10 EICDRO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404790 1045953613 /nfs/dbraw/zinc/95/36/13/1045953613.db2.gz QAMQYYHLRDTEHI-KRWDZBQOSA-N 1 0 333.476 4.166 20 10 EICDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769418999 1045956761 /nfs/dbraw/zinc/95/67/61/1045956761.db2.gz XOLLHKKZWXOASO-CABCVRRESA-N 1 0 336.907 4.406 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000769422787 1045957895 /nfs/dbraw/zinc/95/78/95/1045957895.db2.gz CTRGIZOTFGPKNS-UHFFFAOYSA-N 1 0 334.467 4.068 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000769426298 1045958555 /nfs/dbraw/zinc/95/85/55/1045958555.db2.gz PEZVBXHVTKGSFF-JOCHJYFZSA-N 1 0 338.495 4.232 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC000769471822 1045987291 /nfs/dbraw/zinc/98/72/91/1045987291.db2.gz DFFKEGIAHRUZLO-OXQOHEQNSA-N 1 0 341.451 4.061 20 10 EICDRO O=C(C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000769493863 1045994532 /nfs/dbraw/zinc/99/45/32/1045994532.db2.gz XWZVCKJQFDMSJX-QGZVFWFLSA-N 1 0 329.827 4.283 20 10 EICDRO CC[N@H+](Cc1ccsc1)Cc1cc(Br)ccc1O ZINC000769539715 1046013678 /nfs/dbraw/zinc/01/36/78/1046013678.db2.gz MBFJZFBDHKTWAP-UHFFFAOYSA-N 1 0 326.259 4.238 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OC(C)C ZINC000769933290 1046116483 /nfs/dbraw/zinc/11/64/83/1046116483.db2.gz JFYZUNZNLLRTLG-LJQANCHMSA-N 1 0 349.858 4.310 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](c1ccccc1)N(C)C ZINC000769984985 1046121671 /nfs/dbraw/zinc/12/16/71/1046121671.db2.gz BOSDZYLJUKLZJX-IQUTYRLHSA-N 1 0 332.875 4.388 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000793025460 1046132541 /nfs/dbraw/zinc/13/25/41/1046132541.db2.gz DOQAYXNUNCIUMK-GOSISDBHSA-N 1 0 349.400 4.407 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000793233965 1046179191 /nfs/dbraw/zinc/17/91/91/1046179191.db2.gz XGCWPQRBSKRLLL-HXUWFJFHSA-N 1 0 327.468 4.131 20 10 EICDRO CCOc1cccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)c1O ZINC000793337482 1046211598 /nfs/dbraw/zinc/21/15/98/1046211598.db2.gz GSMNXOZTABOSMH-UHFFFAOYSA-N 1 0 334.847 4.118 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000793353262 1046213186 /nfs/dbraw/zinc/21/31/86/1046213186.db2.gz QMCQHLCNFNVDIA-YJBOKZPZSA-N 1 0 329.415 4.356 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1O ZINC000793353863 1046213712 /nfs/dbraw/zinc/21/37/12/1046213712.db2.gz YVGZQFLAZKLTHV-UHFFFAOYSA-N 1 0 331.843 4.434 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)c(O)c1 ZINC000793386516 1046228579 /nfs/dbraw/zinc/22/85/79/1046228579.db2.gz VEVUVUKGBYBMGO-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c(O)c1 ZINC000793388636 1046231681 /nfs/dbraw/zinc/23/16/81/1046231681.db2.gz QMLOKVXFTSLDMR-UHFFFAOYSA-N 1 0 325.364 4.076 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000770664033 1046244045 /nfs/dbraw/zinc/24/40/45/1046244045.db2.gz JQGVWKUNMZLFLA-UHFFFAOYSA-N 1 0 333.378 4.059 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)n(C)n1 ZINC000793530181 1046295070 /nfs/dbraw/zinc/29/50/70/1046295070.db2.gz WIEJBZKXQFTKRW-QGZVFWFLSA-N 1 0 340.515 4.348 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc2c(cc1O)CCCC2 ZINC000793567587 1046296598 /nfs/dbraw/zinc/29/65/98/1046296598.db2.gz IMXPKBVQRVPNKW-CQSZACIVSA-N 1 0 335.451 4.041 20 10 EICDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000916836331 1046377664 /nfs/dbraw/zinc/37/76/64/1046377664.db2.gz JFQXRUALGHUPLQ-CBZIJGRNSA-N 1 0 334.479 4.108 20 10 EICDRO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935111 1046527399 /nfs/dbraw/zinc/52/73/99/1046527399.db2.gz IMCHTQTXRFBMID-UHFFFAOYSA-N 1 0 348.494 4.187 20 10 EICDRO COCc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000771935552 1046528601 /nfs/dbraw/zinc/52/86/01/1046528601.db2.gz WSZFKHDSRSCFNE-UHFFFAOYSA-N 1 0 338.495 4.455 20 10 EICDRO Cn1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000771935197 1046529154 /nfs/dbraw/zinc/52/91/54/1046529154.db2.gz OFEKINVNZWTSNL-UHFFFAOYSA-N 1 0 348.494 4.196 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)cc1 ZINC000771935571 1046529250 /nfs/dbraw/zinc/52/92/50/1046529250.db2.gz XQBLYDQQSOKCLC-UHFFFAOYSA-N 1 0 334.410 4.029 20 10 EICDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000786158493 1046813204 /nfs/dbraw/zinc/81/32/04/1046813204.db2.gz OELRRDOEXIMHKT-QFIPXVFZSA-N 1 0 347.458 4.061 20 10 EICDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000786576369 1046851762 /nfs/dbraw/zinc/85/17/62/1046851762.db2.gz UBDKOJRPFXADOT-LPHOPBHVSA-N 1 0 335.447 4.108 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915992 1046881530 /nfs/dbraw/zinc/88/15/30/1046881530.db2.gz GJHWHLJIMSASIR-IFXJQAMLSA-N 1 0 332.875 4.444 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(Cl)ccc1O ZINC000787023557 1046892661 /nfs/dbraw/zinc/89/26/61/1046892661.db2.gz CTDQFQJJTUIGRZ-JDNHERCYSA-N 1 0 344.213 4.222 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000322176283 1046937123 /nfs/dbraw/zinc/93/71/23/1046937123.db2.gz YJIXYQASRVTWEF-JYJNAYRXSA-N 1 0 348.487 4.187 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccc(Cl)cc1 ZINC000787302415 1046985346 /nfs/dbraw/zinc/98/53/46/1046985346.db2.gz LUCAXLZJMDDQRQ-INIZCTEOSA-N 1 0 340.250 4.485 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000787313865 1046995102 /nfs/dbraw/zinc/99/51/02/1046995102.db2.gz IIIKJPSMNSYXOI-UHFFFAOYSA-N 1 0 342.345 4.148 20 10 EICDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000788259212 1047144950 /nfs/dbraw/zinc/14/49/50/1047144950.db2.gz LNUXNYGYHZWCFV-HNAYVOBHSA-N 1 0 341.499 4.095 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806181567 1047192632 /nfs/dbraw/zinc/19/26/32/1047192632.db2.gz YBRYFVVKFDIHLT-PVXIVEMSSA-N 1 0 349.833 4.099 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)cc(F)c1[O-] ZINC000806179717 1047200780 /nfs/dbraw/zinc/20/07/80/1047200780.db2.gz VGDLYTCEGNEPPJ-UWVGGRQHSA-N 1 0 348.281 4.088 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000788505457 1047207135 /nfs/dbraw/zinc/20/71/35/1047207135.db2.gz HAADGZNPOYRQNB-KRWDZBQOSA-N 1 0 335.451 4.088 20 10 EICDRO CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000788606932 1047246281 /nfs/dbraw/zinc/24/62/81/1047246281.db2.gz SCCLDERQICOARN-LLVKDONJSA-N 1 0 344.318 4.399 20 10 EICDRO C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C(F)(F)F)c1O ZINC000788720237 1047277181 /nfs/dbraw/zinc/27/71/81/1047277181.db2.gz UUUOSSSKUDOKEY-NSHDSACASA-N 1 0 348.328 4.165 20 10 EICDRO Cn1cnc(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 ZINC000898046056 1047529444 /nfs/dbraw/zinc/52/94/44/1047529444.db2.gz XKZIXSCDMRQCBO-UHFFFAOYSA-N 1 0 329.488 4.011 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3c3cc(C)on3)c2c1 ZINC000747448176 1047586631 /nfs/dbraw/zinc/58/66/31/1047586631.db2.gz CLJGTYJAKBKYSK-IBGZPJMESA-N 1 0 338.407 4.188 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c(O)c1 ZINC000790484961 1047596174 /nfs/dbraw/zinc/59/61/74/1047596174.db2.gz WOKYVTXBSDVHGN-UHFFFAOYSA-N 1 0 341.382 4.480 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000824307383 1047852193 /nfs/dbraw/zinc/85/21/93/1047852193.db2.gz IJHNWRWYWGNCCT-INIZCTEOSA-N 1 0 332.538 4.227 20 10 EICDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824370675 1047862449 /nfs/dbraw/zinc/86/24/49/1047862449.db2.gz NPAJPNNRESMJTP-FUHWJXTLSA-N 1 0 344.524 4.147 20 10 EICDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824370674 1047862781 /nfs/dbraw/zinc/86/27/81/1047862781.db2.gz NPAJPNNRESMJTP-AEFFLSMTSA-N 1 0 344.524 4.147 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1CC(F)(F)C1 ZINC000814169801 1047871462 /nfs/dbraw/zinc/87/14/62/1047871462.db2.gz MPMNJNUPNSHKSM-UHFFFAOYSA-N 1 0 333.378 4.106 20 10 EICDRO CC(F)(F)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824477487 1047872638 /nfs/dbraw/zinc/87/26/38/1047872638.db2.gz SYSOWIDOVDQDQT-UHFFFAOYSA-N 1 0 335.394 4.496 20 10 EICDRO COc1cccc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1O ZINC000824697127 1047897823 /nfs/dbraw/zinc/89/78/23/1047897823.db2.gz YZUVPVXNIAWCKV-QGZVFWFLSA-N 1 0 335.806 4.434 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751586 1047938371 /nfs/dbraw/zinc/93/83/71/1047938371.db2.gz ZWKXVHSTSBLCFJ-KRWDZBQOSA-N 1 0 337.463 4.498 20 10 EICDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825090939 1048032543 /nfs/dbraw/zinc/03/25/43/1048032543.db2.gz OCNBPPUCASDZDF-LJQANCHMSA-N 1 0 325.452 4.042 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000825085654 1048034052 /nfs/dbraw/zinc/03/40/52/1048034052.db2.gz LULZXDZBEOULBK-OGHNNQOOSA-N 1 0 333.453 4.033 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825120781 1048039373 /nfs/dbraw/zinc/03/93/73/1048039373.db2.gz NCYMWTJHJPOJDQ-UHFFFAOYSA-N 1 0 346.858 4.382 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000808691770 1048039837 /nfs/dbraw/zinc/03/98/37/1048039837.db2.gz RDPLQRLBFOAMSS-ZDUSSCGKSA-N 1 0 347.842 4.366 20 10 EICDRO COCc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)ccc1F ZINC000808694102 1048041828 /nfs/dbraw/zinc/04/18/28/1048041828.db2.gz BDLNCMHBKLXUMJ-GFCCVEGCSA-N 1 0 337.822 4.490 20 10 EICDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000825143736 1048042975 /nfs/dbraw/zinc/04/29/75/1048042975.db2.gz IHTQFAYJOIUPPH-WFASDCNBSA-N 1 0 331.378 4.268 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674635 1048047054 /nfs/dbraw/zinc/04/70/54/1048047054.db2.gz KXYBMWVZRDPSSL-STQMWFEESA-N 1 0 348.878 4.084 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1O ZINC000808674308 1048047076 /nfs/dbraw/zinc/04/70/76/1048047076.db2.gz DNFRULZABXKQJF-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1O ZINC000808707296 1048052284 /nfs/dbraw/zinc/05/22/84/1048052284.db2.gz KMAHLTZGOQPATJ-BDJLRTHQSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000808712041 1048058435 /nfs/dbraw/zinc/05/84/35/1048058435.db2.gz ZUUZGHUYKWKCSE-KYABYICQSA-N 1 0 335.875 4.352 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312435 1048072856 /nfs/dbraw/zinc/07/28/56/1048072856.db2.gz SSZSMESTYACZPQ-SFHVURJKSA-N 1 0 331.481 4.059 20 10 EICDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)nc2c1 ZINC000808700641 1048079188 /nfs/dbraw/zinc/07/91/88/1048079188.db2.gz NUGJJCMLDRMCEL-LBPRGKRZSA-N 1 0 329.831 4.390 20 10 EICDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)c1 ZINC000825417320 1048089624 /nfs/dbraw/zinc/08/96/24/1048089624.db2.gz LDPWFPAXPRLREZ-UHFFFAOYSA-N 1 0 346.858 4.008 20 10 EICDRO Cc1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)ccc1N(C)C ZINC000815014142 1048296223 /nfs/dbraw/zinc/29/62/23/1048296223.db2.gz HELJHZYWSYDOBZ-QFIPXVFZSA-N 1 0 338.495 4.007 20 10 EICDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151943 1048350291 /nfs/dbraw/zinc/35/02/91/1048350291.db2.gz WQLQJQCMZSURNR-UHFFFAOYSA-N 1 0 331.287 4.055 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)ccc1OC ZINC000815150771 1048371184 /nfs/dbraw/zinc/37/11/84/1048371184.db2.gz NJSOLXKWYNLJPX-ICSRJNTNSA-N 1 0 325.452 4.125 20 10 EICDRO Cn1nccc1C1=CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000809689980 1048455205 /nfs/dbraw/zinc/45/52/05/1048455205.db2.gz GVAVZZVKNGYULR-UHFFFAOYSA-N 1 0 345.446 4.082 20 10 EICDRO COCCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000809689604 1048475633 /nfs/dbraw/zinc/47/56/33/1048475633.db2.gz RQHXPWIQBCPSRQ-UHFFFAOYSA-N 1 0 349.858 4.059 20 10 EICDRO Oc1ccc(Br)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809688165 1048478001 /nfs/dbraw/zinc/47/80/01/1048478001.db2.gz CSZCTBRXPRASMD-UHFFFAOYSA-N 1 0 334.213 4.037 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844720531 1048478464 /nfs/dbraw/zinc/47/84/64/1048478464.db2.gz UAVPAHKCVLTVGM-UHFFFAOYSA-N 1 0 339.332 4.412 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000809728758 1048481821 /nfs/dbraw/zinc/48/18/21/1048481821.db2.gz GXBCBRJYZNVRGC-LJQANCHMSA-N 1 0 327.447 4.404 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)cc1C ZINC000809703435 1048484732 /nfs/dbraw/zinc/48/47/32/1048484732.db2.gz QDRAGCGMJDAPCU-QFIPXVFZSA-N 1 0 339.479 4.263 20 10 EICDRO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc(Cl)ccc2O)C1 ZINC000809768731 1048501524 /nfs/dbraw/zinc/50/15/24/1048501524.db2.gz VJFPGYABIQMQTN-XJKSGUPXSA-N 1 0 349.883 4.046 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000815553328 1048505957 /nfs/dbraw/zinc/50/59/57/1048505957.db2.gz XSJYXNRSVDRHAP-CRAIPNDOSA-N 1 0 330.447 4.102 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c1O ZINC000809740355 1048512107 /nfs/dbraw/zinc/51/21/07/1048512107.db2.gz VGOXVERJPLRLCD-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO CCc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815580017 1048520599 /nfs/dbraw/zinc/52/05/99/1048520599.db2.gz AMGJLDGDFGMBKN-HXUWFJFHSA-N 1 0 335.451 4.141 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000815580054 1048521275 /nfs/dbraw/zinc/52/12/75/1048521275.db2.gz BGDOUCGYMIJPFT-OAQYLSRUSA-N 1 0 348.446 4.130 20 10 EICDRO CCc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815580016 1048521429 /nfs/dbraw/zinc/52/14/29/1048521429.db2.gz AMGJLDGDFGMBKN-FQEVSTJZSA-N 1 0 335.451 4.141 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000809757679 1048521607 /nfs/dbraw/zinc/52/16/07/1048521607.db2.gz QVWVUQKROMBVFF-IBGZPJMESA-N 1 0 340.515 4.036 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000815582715 1048522672 /nfs/dbraw/zinc/52/26/72/1048522672.db2.gz NRLUDYLVEXMMKF-DYXWJJEUSA-N 1 0 339.479 4.207 20 10 EICDRO CC1(O)CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815586500 1048523521 /nfs/dbraw/zinc/52/35/21/1048523521.db2.gz KIKSLGLLRTYMTI-AATLZSDMSA-N 1 0 339.479 4.349 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1ccncc1 ZINC000815589592 1048527732 /nfs/dbraw/zinc/52/77/32/1048527732.db2.gz YAMQDVDNSCOUAP-NRFANRHFSA-N 1 0 332.447 4.293 20 10 EICDRO CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000815596430 1048530137 /nfs/dbraw/zinc/53/01/37/1048530137.db2.gz TYGFOTIXVDMKBY-HXUWFJFHSA-N 1 0 339.479 4.472 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H](CC)c2ccccc2OC)c(O)c1 ZINC000809781323 1048530679 /nfs/dbraw/zinc/53/06/79/1048530679.db2.gz QHDVJNGAJLMHNJ-GOSISDBHSA-N 1 0 329.440 4.383 20 10 EICDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)c2ccccc21 ZINC000815599455 1048531957 /nfs/dbraw/zinc/53/19/57/1048531957.db2.gz TZQGSJDPDAHGBH-CRAIPNDOSA-N 1 0 338.451 4.158 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC000809782937 1048532320 /nfs/dbraw/zinc/53/23/20/1048532320.db2.gz LUVWKXWBDHKHNQ-LJQANCHMSA-N 1 0 342.508 4.168 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)N2CCCC2)o1 ZINC000815573100 1048535981 /nfs/dbraw/zinc/53/59/81/1048535981.db2.gz YCNSSDPQSCXSEN-QZTJIDSGSA-N 1 0 342.483 4.398 20 10 EICDRO COc1ccc(COCCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815574546 1048537142 /nfs/dbraw/zinc/53/71/42/1048537142.db2.gz UHCBDIAVAVRWBR-QGZVFWFLSA-N 1 0 343.467 4.275 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000815622297 1048548531 /nfs/dbraw/zinc/54/85/31/1048548531.db2.gz RDAPQYFAANRENR-HKUYNNGSSA-N 1 0 327.493 4.409 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000815627271 1048551818 /nfs/dbraw/zinc/55/18/18/1048551818.db2.gz XSYJEPPLKGSXBQ-HOCLYGCPSA-N 1 0 333.859 4.089 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815629321 1048554683 /nfs/dbraw/zinc/55/46/83/1048554683.db2.gz ZTWVTMUYPRKIQP-HOTGVXAUSA-N 1 0 328.431 4.078 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOC1CCC1 ZINC000815606871 1048557515 /nfs/dbraw/zinc/55/75/15/1048557515.db2.gz JLBCRSPFZYZBIS-FQEVSTJZSA-N 1 0 325.452 4.225 20 10 EICDRO C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815656778 1048560015 /nfs/dbraw/zinc/56/00/15/1048560015.db2.gz GDSASMZSESUAKM-HNNXBMFYSA-N 1 0 334.479 4.139 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N(C)C)cc1 ZINC000815660010 1048562119 /nfs/dbraw/zinc/56/21/19/1048562119.db2.gz POKVSMZYEDWDIL-KXBFYZLASA-N 1 0 344.524 4.376 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1C ZINC000815637036 1048564654 /nfs/dbraw/zinc/56/46/54/1048564654.db2.gz KCNYCICUUZSOFP-ZDUSSCGKSA-N 1 0 338.373 4.316 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000815637444 1048565033 /nfs/dbraw/zinc/56/50/33/1048565033.db2.gz XEVZYJFSOZEEOQ-ZDUSSCGKSA-N 1 0 338.373 4.316 20 10 EICDRO CCOC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCCC1 ZINC000815644809 1048569787 /nfs/dbraw/zinc/56/97/87/1048569787.db2.gz MMEXGQZMXKMQQD-GFCCVEGCSA-N 1 0 342.277 4.155 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(O)c1 ZINC000815647222 1048570090 /nfs/dbraw/zinc/57/00/90/1048570090.db2.gz CHRPIXDSMUURBJ-LSDHHAIUSA-N 1 0 339.414 4.437 20 10 EICDRO CC[C@H]([NH2+]Cc1csc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810211749 1048681041 /nfs/dbraw/zinc/68/10/41/1048681041.db2.gz VUJVXAGVWKXHOA-ZDUSSCGKSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+]CCc1nccs1)c1ccc(C(F)(F)F)cc1O ZINC000810214582 1048684873 /nfs/dbraw/zinc/68/48/73/1048684873.db2.gz CAFRDLCLVOUQFU-LBPRGKRZSA-N 1 0 330.375 4.151 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1O ZINC000810219984 1048688145 /nfs/dbraw/zinc/68/81/45/1048688145.db2.gz NXHTWRMZOFBINT-UKRRQHHQSA-N 1 0 343.345 4.087 20 10 EICDRO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810221233 1048689778 /nfs/dbraw/zinc/68/97/78/1048689778.db2.gz CQWCOTMGBYPSEQ-UGWHAMFMSA-N 1 0 331.378 4.145 20 10 EICDRO CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810220969 1048690353 /nfs/dbraw/zinc/69/03/53/1048690353.db2.gz IHBRBFPADRGSQW-HNNXBMFYSA-N 1 0 345.405 4.395 20 10 EICDRO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810221232 1048690516 /nfs/dbraw/zinc/69/05/16/1048690516.db2.gz CQWCOTMGBYPSEQ-CXOJTPOUSA-N 1 0 331.378 4.145 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810223500 1048692284 /nfs/dbraw/zinc/69/22/84/1048692284.db2.gz MKXHKQZWRKWMDN-XHDPSFHLSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207123 1048703621 /nfs/dbraw/zinc/70/36/21/1048703621.db2.gz GZESVBDKPDSYCG-MRXNPFEDSA-N 1 0 342.405 4.079 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000810259728 1048710431 /nfs/dbraw/zinc/71/04/31/1048710431.db2.gz QWRSLTXACPTNSW-KXBFYZLASA-N 1 0 334.479 4.018 20 10 EICDRO COc1cccc(C2(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)CC2)c1 ZINC000810239838 1048721938 /nfs/dbraw/zinc/72/19/38/1048721938.db2.gz ICQFGFIPHUAHTG-MRXNPFEDSA-N 1 0 325.452 4.400 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000845971035 1048772604 /nfs/dbraw/zinc/77/26/04/1048772604.db2.gz GPPZUCWPJJNKMX-XOMBGVMMSA-N 1 0 333.378 4.276 20 10 EICDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016872 1048786334 /nfs/dbraw/zinc/78/63/34/1048786334.db2.gz KEVLLNZUBGAVMX-IERDGZPVSA-N 1 0 342.458 4.028 20 10 EICDRO CCOc1cccc(C[NH2+]CCO[C@H](CC)c2ccccc2)c1O ZINC000846019687 1048789794 /nfs/dbraw/zinc/78/97/94/1048789794.db2.gz RLZACRRCZXSVCY-GOSISDBHSA-N 1 0 329.440 4.048 20 10 EICDRO CCOc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(Cl)c1O ZINC000846056750 1048791452 /nfs/dbraw/zinc/79/14/52/1048791452.db2.gz ZKAARAGVLQAHTL-UHFFFAOYSA-N 1 0 342.222 4.093 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)ccc1OC ZINC000846040256 1048803067 /nfs/dbraw/zinc/80/30/67/1048803067.db2.gz XCXHCGWOTRHEGP-IRXDYDNUSA-N 1 0 329.843 4.026 20 10 EICDRO Oc1ccc(F)cc1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846054948 1048807134 /nfs/dbraw/zinc/80/71/34/1048807134.db2.gz IAKLIPDWTDPFCA-UHFFFAOYSA-N 1 0 346.471 4.331 20 10 EICDRO Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000816482606 1048813141 /nfs/dbraw/zinc/81/31/41/1048813141.db2.gz MLFRAECJEFNYTD-UHFFFAOYSA-N 1 0 344.886 4.117 20 10 EICDRO Oc1c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491799 1048813912 /nfs/dbraw/zinc/81/39/12/1048813912.db2.gz ZAPJQGYMPWNZJH-OAHLLOKOSA-N 1 0 339.357 4.089 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc2ccccc21 ZINC000816498257 1048819879 /nfs/dbraw/zinc/81/98/79/1048819879.db2.gz NRXSYEWXLCFVSQ-KRWDZBQOSA-N 1 0 325.433 4.180 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1O ZINC000846150545 1048823187 /nfs/dbraw/zinc/82/31/87/1048823187.db2.gz RGUVPXZVHSJODF-CVEARBPZSA-N 1 0 340.467 4.413 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000846149567 1048823919 /nfs/dbraw/zinc/82/39/19/1048823919.db2.gz JOPDIEUOIWLXBV-XQQFMLRXSA-N 1 0 331.378 4.420 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c1O ZINC000846148404 1048823970 /nfs/dbraw/zinc/82/39/70/1048823970.db2.gz YUWLUQPALIURAB-HOTGVXAUSA-N 1 0 342.483 4.181 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1O ZINC000846153414 1048824534 /nfs/dbraw/zinc/82/45/34/1048824534.db2.gz YHEVFJSGGLINDA-CQSZACIVSA-N 1 0 327.424 4.183 20 10 EICDRO Oc1c(C[NH2+]CCCN2CCc3ccccc3C2)ccc2ccccc21 ZINC000816532408 1048825295 /nfs/dbraw/zinc/82/52/95/1048825295.db2.gz FVULKTIFHCMNNI-UHFFFAOYSA-N 1 0 346.474 4.083 20 10 EICDRO Oc1c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000816531474 1048825996 /nfs/dbraw/zinc/82/59/96/1048825996.db2.gz SQPQRKIXXLPSSJ-SFHVURJKSA-N 1 0 327.811 4.022 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)c1O ZINC000846162901 1048827103 /nfs/dbraw/zinc/82/71/03/1048827103.db2.gz NOTPEVHREUQTHL-LRDDRELGSA-N 1 0 331.387 4.104 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164949 1048827570 /nfs/dbraw/zinc/82/75/70/1048827570.db2.gz JJGTUBATYHZVRD-MLGOLLRUSA-N 1 0 335.831 4.093 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C2CC2)cc1 ZINC000846135545 1048829455 /nfs/dbraw/zinc/82/94/55/1048829455.db2.gz DVIXETSHLOKMAD-YJYMSZOUSA-N 1 0 327.424 4.211 20 10 EICDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846141174 1048830663 /nfs/dbraw/zinc/83/06/63/1048830663.db2.gz FNMKCXOULFYEGP-GJZGRUSLSA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000846140715 1048830916 /nfs/dbraw/zinc/83/09/16/1048830916.db2.gz ZTWBNZLTKNCGMA-ZIAGYGMSSA-N 1 0 345.439 4.138 20 10 EICDRO Oc1cc(F)c(Cl)cc1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000816525967 1048831003 /nfs/dbraw/zinc/83/10/03/1048831003.db2.gz OZKCTEPQOKRPDX-UHFFFAOYSA-N 1 0 348.849 4.435 20 10 EICDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207357 1048833466 /nfs/dbraw/zinc/83/34/66/1048833466.db2.gz NBJZKPGKZISCHM-UTKZUKDTSA-N 1 0 348.494 4.121 20 10 EICDRO OCC1(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000846209921 1048834423 /nfs/dbraw/zinc/83/44/23/1048834423.db2.gz IVMWGDODOGYZHN-HXUWFJFHSA-N 1 0 339.479 4.208 20 10 EICDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559275 1048835530 /nfs/dbraw/zinc/83/55/30/1048835530.db2.gz DBFBJUHDRFAMRQ-JLTOFOAXSA-N 1 0 339.410 4.286 20 10 EICDRO Cc1ccnc(C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816568277 1048836469 /nfs/dbraw/zinc/83/64/69/1048836469.db2.gz BPZBICTWTNCXMD-UHFFFAOYSA-N 1 0 333.435 4.023 20 10 EICDRO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2O)cc1 ZINC000816610806 1048844004 /nfs/dbraw/zinc/84/40/04/1048844004.db2.gz ZGHBFYQUXSICIA-UHFFFAOYSA-N 1 0 334.463 4.239 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1O ZINC000816659345 1048849582 /nfs/dbraw/zinc/84/95/82/1048849582.db2.gz JZRDMFVLUWFWQP-KRWDZBQOSA-N 1 0 347.842 4.098 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817949734 1049063078 /nfs/dbraw/zinc/06/30/78/1049063078.db2.gz UJAPXONBNPPALN-NSHDSACASA-N 1 0 339.266 4.051 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817947821 1049065151 /nfs/dbraw/zinc/06/51/51/1049065151.db2.gz RZQTYSNNSBGJQY-PGUXBMHVSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1O ZINC000817975666 1049074146 /nfs/dbraw/zinc/07/41/46/1049074146.db2.gz PRIQVTGHRGYUFJ-MEDUHNTESA-N 1 0 330.403 4.067 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984802 1049077193 /nfs/dbraw/zinc/07/71/93/1049077193.db2.gz AFZXUDOJUNIDAW-RISCZKNCSA-N 1 0 343.298 4.414 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985396 1049079412 /nfs/dbraw/zinc/07/94/12/1049079412.db2.gz JTPANQCURQXNOG-MNOVXSKESA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1cccc(C)c1O)CC2 ZINC001171298884 1049098604 /nfs/dbraw/zinc/09/86/04/1049098604.db2.gz KEYMZHBQZGUMOX-AWEZNQCLSA-N 1 0 331.843 4.010 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4ccccc4o3)C2)cc1 ZINC000818222253 1049118368 /nfs/dbraw/zinc/11/83/68/1049118368.db2.gz VTZHZWVYFREVPF-MRXNPFEDSA-N 1 0 336.435 4.058 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3CCCF)C2)cc1 ZINC000818343141 1049134957 /nfs/dbraw/zinc/13/49/57/1049134957.db2.gz YRAGJAFRUKFPNE-MBOZVWFJSA-N 1 0 334.479 4.030 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3csc(C)c3)C2)cc1 ZINC000818341905 1049135661 /nfs/dbraw/zinc/13/56/61/1049135661.db2.gz IVLWHCQQJYNONU-CVEARBPZSA-N 1 0 330.497 4.242 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)cc(F)c3)C2)cc1 ZINC000818343453 1049139553 /nfs/dbraw/zinc/13/95/53/1049139553.db2.gz BNIMVPBTNTWLKQ-CABCVRRESA-N 1 0 346.421 4.151 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804058 1049274074 /nfs/dbraw/zinc/27/40/74/1049274074.db2.gz ZTKBKTNDGVDOCQ-MRXNPFEDSA-N 1 0 347.890 4.295 20 10 EICDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773000438 1049514832 /nfs/dbraw/zinc/51/48/32/1049514832.db2.gz PMJUQMSIKWFOGB-QGZVFWFLSA-N 1 0 348.494 4.406 20 10 EICDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000812735222 1049554075 /nfs/dbraw/zinc/55/40/75/1049554075.db2.gz XTZOBYZDXBTUMI-YWZLYKJASA-N 1 0 334.479 4.282 20 10 EICDRO C=Cc1ccc(CC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000812734651 1049555265 /nfs/dbraw/zinc/55/52/65/1049555265.db2.gz PPKGEERAAUNYHG-UHFFFAOYSA-N 1 0 336.479 4.139 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000179564515 1049674864 /nfs/dbraw/zinc/67/48/64/1049674864.db2.gz AJSODSGYUFDWCN-UHFFFAOYSA-N 1 0 329.421 4.258 20 10 EICDRO Oc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000179585498 1049680983 /nfs/dbraw/zinc/68/09/83/1049680983.db2.gz MYSXWHWBFAHBPF-AEFFLSMTSA-N 1 0 331.481 4.322 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171495480 1049721750 /nfs/dbraw/zinc/72/17/50/1049721750.db2.gz ITNHDDUUIZHISP-SFHVURJKSA-N 1 0 330.422 4.020 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(N(C)C)cc1 ZINC001171514629 1049743889 /nfs/dbraw/zinc/74/38/89/1049743889.db2.gz CFNWJPGPZMBJTO-WFASDCNBSA-N 1 0 348.412 4.378 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C3CCCC3)s2)c1 ZINC000813330729 1049753549 /nfs/dbraw/zinc/75/35/49/1049753549.db2.gz FSBIRMVXXFDLRB-GFCCVEGCSA-N 1 0 332.469 4.366 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCc3ccccc32)ccc1OC ZINC000747853706 1049768391 /nfs/dbraw/zinc/76/83/91/1049768391.db2.gz CCAWIPGYQZZHRD-IBGZPJMESA-N 1 0 339.479 4.441 20 10 EICDRO CCC[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1O ZINC000179929482 1049806120 /nfs/dbraw/zinc/80/61/20/1049806120.db2.gz RUILOOYYXFFQDP-UHFFFAOYSA-N 1 0 341.480 4.266 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000813882916 1049831276 /nfs/dbraw/zinc/83/12/76/1049831276.db2.gz AFYSZQIIVXAGFI-OCCSQVGLSA-N 1 0 334.822 4.114 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1OCCc2sccc21 ZINC000813885820 1049831288 /nfs/dbraw/zinc/83/12/88/1049831288.db2.gz XVDJDEOVXVIRIV-RRNCYLGRSA-N 1 0 347.455 4.433 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000813882917 1049831618 /nfs/dbraw/zinc/83/16/18/1049831618.db2.gz AFYSZQIIVXAGFI-TZMCWYRMSA-N 1 0 334.822 4.114 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(O)c1C ZINC000813884300 1049831713 /nfs/dbraw/zinc/83/17/13/1049831713.db2.gz HIDIEDNDDCGOPK-CKFHNAJUSA-N 1 0 331.481 4.424 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000823671253 1049868154 /nfs/dbraw/zinc/86/81/54/1049868154.db2.gz KQOSDOXQAVIKCY-OKILXGFUSA-N 1 0 348.487 4.099 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2nccs2)cc1 ZINC000823742746 1049871785 /nfs/dbraw/zinc/87/17/85/1049871785.db2.gz VWQJUHJRBQKDGW-UHFFFAOYSA-N 1 0 343.521 4.173 20 10 EICDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824142178 1049900532 /nfs/dbraw/zinc/90/05/32/1049900532.db2.gz LEFRUVKLMAASFN-LJQANCHMSA-N 1 0 344.524 4.385 20 10 EICDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)ccc1O)CC2 ZINC001172833039 1050168178 /nfs/dbraw/zinc/16/81/78/1050168178.db2.gz VMAYKOPSFFAXQI-QGZVFWFLSA-N 1 0 346.268 4.110 20 10 EICDRO CCCC1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001177483561 1050225530 /nfs/dbraw/zinc/22/55/30/1050225530.db2.gz XHTBRAQHXROXPU-UHFFFAOYSA-N 1 0 330.516 4.219 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)ccc1OC ZINC001177590761 1050262109 /nfs/dbraw/zinc/26/21/09/1050262109.db2.gz YLCBZWFXOKMRHN-UHFFFAOYSA-N 1 0 337.822 4.314 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079043 1050294511 /nfs/dbraw/zinc/29/45/11/1050294511.db2.gz VDPFXCFODKBTHE-DOTOQJQBSA-N 1 0 348.487 4.002 20 10 EICDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1O ZINC001173083034 1050297718 /nfs/dbraw/zinc/29/77/18/1050297718.db2.gz PQOSMIJWDJJFNK-LBPRGKRZSA-N 1 0 325.330 4.012 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCCSc2nccs2)cc1 ZINC001177906096 1050323424 /nfs/dbraw/zinc/32/34/24/1050323424.db2.gz ZTKCCHRNEUTZJL-UHFFFAOYSA-N 1 0 335.542 4.261 20 10 EICDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Oc1cccc(Cl)c1 ZINC001177929587 1050336650 /nfs/dbraw/zinc/33/66/50/1050336650.db2.gz ZDPLAYWQUSUTBC-SQRWCISFSA-N 1 0 344.886 4.476 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cc1Cn1cccn1 ZINC001177949929 1050345985 /nfs/dbraw/zinc/34/59/85/1050345985.db2.gz UFEOYVFAWQMLML-QFBILLFUSA-N 1 0 341.499 4.244 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1cccc(Cl)c1 ZINC001177976830 1050358876 /nfs/dbraw/zinc/35/88/76/1050358876.db2.gz IKICLNPVKHODKS-KRWDZBQOSA-N 1 0 331.843 4.222 20 10 EICDRO CC[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001173274323 1050392139 /nfs/dbraw/zinc/39/21/39/1050392139.db2.gz PKEACGZMXCHFMA-VUEDXXQZSA-N 1 0 340.467 4.007 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)cc1F ZINC001178397951 1050451790 /nfs/dbraw/zinc/45/17/90/1050451790.db2.gz HZEHZJMPFMUKFA-UHFFFAOYSA-N 1 0 342.458 4.121 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1C ZINC001178528078 1050491805 /nfs/dbraw/zinc/49/18/05/1050491805.db2.gz JBRHGQJLWJGUBH-UHFFFAOYSA-N 1 0 327.468 4.301 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC001178532771 1050493225 /nfs/dbraw/zinc/49/32/25/1050493225.db2.gz XHGGWAKMQQDHKX-GCJKJVERSA-N 1 0 339.527 4.314 20 10 EICDRO CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001178528800 1050493652 /nfs/dbraw/zinc/49/36/52/1050493652.db2.gz PSYWGIJOEBYLIV-UHFFFAOYSA-N 1 0 342.886 4.319 20 10 EICDRO COc1cc(C[NH2+]C[C@H]2CCCC2(F)F)c(O)c(C(C)(C)C)c1 ZINC001178747617 1050543015 /nfs/dbraw/zinc/54/30/15/1050543015.db2.gz NWNVWQMNOIXZMS-CYBMUJFWSA-N 1 0 327.415 4.223 20 10 EICDRO CCC[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)OC ZINC001178790869 1050554925 /nfs/dbraw/zinc/55/49/25/1050554925.db2.gz GDLXUSUIVFLIJK-OAQYLSRUSA-N 1 0 338.495 4.154 20 10 EICDRO CCC[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)OC ZINC001178790868 1050555892 /nfs/dbraw/zinc/55/58/92/1050555892.db2.gz GDLXUSUIVFLIJK-NRFANRHFSA-N 1 0 338.495 4.154 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1ccccc1F)c1ccc(C[NH3+])cc1 ZINC000775140146 1050605491 /nfs/dbraw/zinc/60/54/91/1050605491.db2.gz JCPWDNZNQSSANA-UHFFFAOYSA-N 1 0 338.430 4.091 20 10 EICDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000763522633 1050614247 /nfs/dbraw/zinc/61/42/47/1050614247.db2.gz FMPVWFFEAUZJOU-FOIQADDNSA-N 1 0 337.419 4.254 20 10 EICDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000763522639 1050614296 /nfs/dbraw/zinc/61/42/96/1050614296.db2.gz FMPVWFFEAUZJOU-QRWLVFNGSA-N 1 0 337.419 4.254 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)c2cccc3ccccc32)cc1 ZINC001179123179 1050636784 /nfs/dbraw/zinc/63/67/84/1050636784.db2.gz PMCTWNUFLLSYEN-YQTDCCHMSA-N 1 0 346.474 4.242 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](OC)c2cccc(OC)c2)cc1C ZINC001179223025 1050651349 /nfs/dbraw/zinc/65/13/49/1050651349.db2.gz ZRFMGTLDDMQVAR-NRFANRHFSA-N 1 0 343.467 4.270 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1ccc2c(c1)OCCO2 ZINC000773815043 1050702042 /nfs/dbraw/zinc/70/20/42/1050702042.db2.gz XSWNSRYCTZIJLG-IBGZPJMESA-N 1 0 340.467 4.155 20 10 EICDRO COc1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(O)c(C(C)(C)C)c1 ZINC001179699600 1050752290 /nfs/dbraw/zinc/75/22/90/1050752290.db2.gz CNJYLLMKZSJMLR-INIZCTEOSA-N 1 0 347.499 4.280 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001179788750 1050778850 /nfs/dbraw/zinc/77/88/50/1050778850.db2.gz DOJUKMOJNSBEFK-WAIKUNEKSA-N 1 0 348.490 4.361 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(ccnc3Cl)o2)cc1 ZINC001179844798 1050792264 /nfs/dbraw/zinc/79/22/64/1050792264.db2.gz CJBVAQARRYKBPX-UHFFFAOYSA-N 1 0 329.831 4.179 20 10 EICDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)Cc2ccccc21 ZINC001179958165 1050846916 /nfs/dbraw/zinc/84/69/16/1050846916.db2.gz WIDRULLNJBJSHX-UHFFFAOYSA-N 1 0 346.268 4.448 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cl ZINC001180058271 1050871021 /nfs/dbraw/zinc/87/10/21/1050871021.db2.gz PHCADXPVMNJHPR-KRWDZBQOSA-N 1 0 330.859 4.431 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1Cl ZINC001180188895 1050897209 /nfs/dbraw/zinc/89/72/09/1050897209.db2.gz LEVLPYHCRIJSSW-UHFFFAOYSA-N 1 0 349.858 4.475 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1O ZINC001180183806 1050897537 /nfs/dbraw/zinc/89/75/37/1050897537.db2.gz HQKPEWKGRZUGJB-LJQANCHMSA-N 1 0 343.442 4.446 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000324939272 1051004043 /nfs/dbraw/zinc/00/40/43/1051004043.db2.gz ZWPVZBNFPIPCMW-QGZVFWFLSA-N 1 0 326.484 4.349 20 10 EICDRO COc1ccc(OCC[N@H+](C)Cc2ccc3ccccc3c2O)cc1 ZINC001180452994 1051005920 /nfs/dbraw/zinc/00/59/20/1051005920.db2.gz SWMYLZJCONKRSC-UHFFFAOYSA-N 1 0 337.419 4.065 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCCCC2)cc1 ZINC000183229900 1051027037 /nfs/dbraw/zinc/02/70/37/1051027037.db2.gz AMPYLCKGZAOCDC-DVWBAYGPSA-N 1 0 340.511 4.285 20 10 EICDRO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc(N(C)C)cc1 ZINC000775361719 1051128162 /nfs/dbraw/zinc/12/81/62/1051128162.db2.gz FKJSWUMCUFSONJ-INIZCTEOSA-N 1 0 332.451 4.060 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000775416796 1051291419 /nfs/dbraw/zinc/29/14/19/1051291419.db2.gz XWZXJECCZYKMIC-RDJZCZTQSA-N 1 0 340.250 4.473 20 10 EICDRO Oc1cc(Br)ccc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001181818991 1051318205 /nfs/dbraw/zinc/31/82/05/1051318205.db2.gz RRHCOFNTBUFCGQ-UHFFFAOYSA-N 1 0 346.268 4.146 20 10 EICDRO CCN(C)c1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060230 1051337356 /nfs/dbraw/zinc/33/73/56/1051337356.db2.gz ZBQZAPKZYHENMG-PZJWPPBQSA-N 1 0 343.559 4.229 20 10 EICDRO CCC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001191174012 1051373665 /nfs/dbraw/zinc/37/36/65/1051373665.db2.gz MSZDVHZEXIPMAW-AQNXPRMDSA-N 1 0 330.516 4.168 20 10 EICDRO Cc1cc(O)c(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125451 1051395959 /nfs/dbraw/zinc/39/59/59/1051395959.db2.gz ABJDUDZZOZLSFG-CVEARBPZSA-N 1 0 347.886 4.341 20 10 EICDRO CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774110613 1051458192 /nfs/dbraw/zinc/45/81/92/1051458192.db2.gz FBXCKMRKZPGCQB-LLVKDONJSA-N 1 0 331.287 4.224 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CC)[C@H](COC)Cc2ccccc2)cc1 ZINC001191454271 1051458848 /nfs/dbraw/zinc/45/88/48/1051458848.db2.gz MVGZVTYQMBCRNZ-QFIPXVFZSA-N 1 0 340.511 4.222 20 10 EICDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001191531444 1051478135 /nfs/dbraw/zinc/47/81/35/1051478135.db2.gz SKNKHVBBHAHUKB-HXUWFJFHSA-N 1 0 337.511 4.373 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1O ZINC000775482842 1051552805 /nfs/dbraw/zinc/55/28/05/1051552805.db2.gz CXMIDWIJSSMZQR-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1cc(Cl)ccc1O ZINC000775489803 1051580994 /nfs/dbraw/zinc/58/09/94/1051580994.db2.gz YAKHEMIEVRIRND-INIZCTEOSA-N 1 0 334.847 4.469 20 10 EICDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483411 1051615122 /nfs/dbraw/zinc/61/51/22/1051615122.db2.gz KGHBTFADFOJBRU-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498495 1051621379 /nfs/dbraw/zinc/62/13/79/1051621379.db2.gz MCSFYEBZOSUILU-OAHLLOKOSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1O ZINC000775508386 1051641573 /nfs/dbraw/zinc/64/15/73/1051641573.db2.gz UJMVRRIDXBCFEJ-OXQOHEQNSA-N 1 0 340.467 4.111 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCCC(F)(F)F)CC2)cc1 ZINC000775502551 1051645353 /nfs/dbraw/zinc/64/53/53/1051645353.db2.gz YCSPLVOXPXRWQE-AWEZNQCLSA-N 1 0 344.421 4.375 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775506725 1051646748 /nfs/dbraw/zinc/64/67/48/1051646748.db2.gz CSJGXXABTZXTJT-DPZKZMLUSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000775508978 1051648639 /nfs/dbraw/zinc/64/86/39/1051648639.db2.gz HIFPDMIXSARIEU-XJKSGUPXSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1O ZINC000775509135 1051649249 /nfs/dbraw/zinc/64/92/49/1051649249.db2.gz ZSXGZZJKYBTIDY-ICSRJNTNSA-N 1 0 327.468 4.464 20 10 EICDRO CC[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511432 1051658027 /nfs/dbraw/zinc/65/80/27/1051658027.db2.gz FPPHGSIVHOPUTA-IINYFYTJSA-N 1 0 340.876 4.450 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775514208 1051660176 /nfs/dbraw/zinc/66/01/76/1051660176.db2.gz RWOFOVXNIVCTKI-ROUUACIJSA-N 1 0 349.858 4.219 20 10 EICDRO CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccccc1O ZINC000775514093 1051662929 /nfs/dbraw/zinc/66/29/29/1051662929.db2.gz VTHCIRACBVUINX-RBUKOAKNSA-N 1 0 335.451 4.150 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(Cl)ccc1O ZINC000775523202 1051690958 /nfs/dbraw/zinc/69/09/58/1051690958.db2.gz FCKXQNIDYHOQMB-MSOLQXFVSA-N 1 0 330.859 4.273 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(Cl)ccc1O ZINC000775522485 1051693874 /nfs/dbraw/zinc/69/38/74/1051693874.db2.gz RAKYHWJXOCEMLS-INIZCTEOSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775524531 1051710267 /nfs/dbraw/zinc/71/02/67/1051710267.db2.gz BJZMKVSPHWTXMN-TXPKVOOTSA-N 1 0 335.394 4.223 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC001182856650 1051722433 /nfs/dbraw/zinc/72/24/33/1051722433.db2.gz WUHOFYFOMCOCGH-ZCNNSNEGSA-N 1 0 336.479 4.200 20 10 EICDRO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(O)c1 ZINC001182901712 1051737172 /nfs/dbraw/zinc/73/71/72/1051737172.db2.gz GOIYAWNFGMLBMI-OAQYLSRUSA-N 1 0 338.495 4.043 20 10 EICDRO CC[C@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1O ZINC000775532113 1051747487 /nfs/dbraw/zinc/74/74/87/1051747487.db2.gz MGHGDYKPOXAIAC-FQEVSTJZSA-N 1 0 339.483 4.097 20 10 EICDRO CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(C(C)C)ccc1O)CC2 ZINC001183291576 1051820128 /nfs/dbraw/zinc/82/01/28/1051820128.db2.gz JXXMBBFKBCLUKK-UHFFFAOYSA-N 1 0 338.451 4.032 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@](C)(Cc2ccccc2)C(C)C)c1O ZINC001183323984 1051825108 /nfs/dbraw/zinc/82/51/08/1051825108.db2.gz IZTKPQPJTWTLJA-NRFANRHFSA-N 1 0 327.468 4.456 20 10 EICDRO CC[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775557695 1051838777 /nfs/dbraw/zinc/83/87/77/1051838777.db2.gz HIAQSIIAGFEJBG-AWEZNQCLSA-N 1 0 329.831 4.173 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2O ZINC000775568472 1051863532 /nfs/dbraw/zinc/86/35/32/1051863532.db2.gz LHWGEPIMVFJWDF-WBMJQRKESA-N 1 0 329.415 4.097 20 10 EICDRO CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775569992 1051864443 /nfs/dbraw/zinc/86/44/43/1051864443.db2.gz XTSWASHUFWFHCU-SFHVURJKSA-N 1 0 338.495 4.497 20 10 EICDRO C[NH+](C)Cc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001176291488 1051979833 /nfs/dbraw/zinc/97/98/33/1051979833.db2.gz BETYORUMBDNJDZ-JBUPZVEHSA-N 1 0 346.438 4.016 20 10 EICDRO C[NH+](C)Cc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001176295634 1051980421 /nfs/dbraw/zinc/98/04/21/1051980421.db2.gz JRWCBRZRHQKLPX-UHFFFAOYSA-N 1 0 331.419 4.118 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC001184338516 1051995855 /nfs/dbraw/zinc/99/58/55/1051995855.db2.gz MRZICUCFZZERPD-GJZGRUSLSA-N 1 0 331.843 4.023 20 10 EICDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000774780957 1052094471 /nfs/dbraw/zinc/09/44/71/1052094471.db2.gz PUSNYHHUNQKWHB-NSHDSACASA-N 1 0 333.815 4.108 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306894 1052125622 /nfs/dbraw/zinc/12/56/22/1052125622.db2.gz MXRLJKBIUUXHPJ-SFTDATJTSA-N 1 0 328.500 4.129 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1C ZINC001177081227 1052225237 /nfs/dbraw/zinc/22/52/37/1052225237.db2.gz FQJYNWHSOOWRBQ-LJQANCHMSA-N 1 0 342.483 4.304 20 10 EICDRO COc1c([O-])c(C[N@H+](C)[C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885167 1052251916 /nfs/dbraw/zinc/25/19/16/1052251916.db2.gz JCYGDRNDIFAMBE-KRWDZBQOSA-N 1 0 344.411 4.138 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000184856688 1052265657 /nfs/dbraw/zinc/26/56/57/1052265657.db2.gz BEZHHAIKFSFNFB-AEFFLSMTSA-N 1 0 328.456 4.171 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184897857 1052298408 /nfs/dbraw/zinc/29/84/08/1052298408.db2.gz OTJAVBWZXIBWCY-GJZGRUSLSA-N 1 0 341.451 4.274 20 10 EICDRO Cc1c[nH+]c(NCc2cc(Cl)c3cccnc3c2O)c2[nH]ccc21 ZINC001168528354 1052617014 /nfs/dbraw/zinc/61/70/14/1052617014.db2.gz UJBXXUXDQRACKO-UHFFFAOYSA-N 1 0 338.798 4.391 20 10 EICDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000185998989 1052844620 /nfs/dbraw/zinc/84/46/20/1052844620.db2.gz FHNYJIWIGVHDLK-YJBOKZPZSA-N 1 0 327.424 4.046 20 10 EICDRO Fc1cccc(C[NH2+]CCCSc2nccs2)c1OC(F)F ZINC000850144344 1053077774 /nfs/dbraw/zinc/07/77/74/1053077774.db2.gz JKROYNHYSLNEGU-UHFFFAOYSA-N 1 0 348.415 4.156 20 10 EICDRO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000850385337 1053156237 /nfs/dbraw/zinc/15/62/37/1053156237.db2.gz DQIJFNOLDMGRPJ-UGKGYDQZSA-N 1 0 335.495 4.183 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850409310 1053182590 /nfs/dbraw/zinc/18/25/90/1053182590.db2.gz QMIQNWMIVXVPNM-KRWDZBQOSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(C(F)F)nc1 ZINC000850430724 1053205415 /nfs/dbraw/zinc/20/54/15/1053205415.db2.gz OVMKBWFCWQJOJO-CYBMUJFWSA-N 1 0 331.410 4.252 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000850430118 1053205718 /nfs/dbraw/zinc/20/57/18/1053205718.db2.gz NQQNYPCHXQKVJF-KRWDZBQOSA-N 1 0 336.426 4.179 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661614 1053240684 /nfs/dbraw/zinc/24/06/84/1053240684.db2.gz PWNHRXKYRIMSSL-BXUZGUMPSA-N 1 0 345.405 4.471 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000850482558 1053253788 /nfs/dbraw/zinc/25/37/88/1053253788.db2.gz KAVLKGXHAVLEHB-ABAIWWIYSA-N 1 0 326.371 4.053 20 10 EICDRO C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000850483513 1053256264 /nfs/dbraw/zinc/25/62/64/1053256264.db2.gz YNNHCXAGXFBXRY-VXGBXAGGSA-N 1 0 335.245 4.004 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000850488756 1053257289 /nfs/dbraw/zinc/25/72/89/1053257289.db2.gz OJWPQTRGLGKGAS-KXBFYZLASA-N 1 0 340.492 4.101 20 10 EICDRO Cn1cnc2cc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)ccc21 ZINC000775634757 1053260473 /nfs/dbraw/zinc/26/04/73/1053260473.db2.gz WIUXEOAMJQIDLS-UHFFFAOYSA-N 1 0 348.494 4.196 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523277 1053281335 /nfs/dbraw/zinc/28/13/35/1053281335.db2.gz FCYFXQBBUKGZMX-QUCCMNQESA-N 1 0 337.463 4.367 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)C(C)(C)C)cc1OC ZINC000775638817 1053283008 /nfs/dbraw/zinc/28/30/08/1053283008.db2.gz NBHDWPGLNVFMGQ-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850526213 1053286213 /nfs/dbraw/zinc/28/62/13/1053286213.db2.gz UFSAXFSASRZVKI-HKUYNNGSSA-N 1 0 328.500 4.429 20 10 EICDRO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(C)cc3O)on2)cc1 ZINC000850524554 1053286285 /nfs/dbraw/zinc/28/62/85/1053286285.db2.gz CGPKUVPPYWPNAS-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000850539220 1053301999 /nfs/dbraw/zinc/30/19/99/1053301999.db2.gz CCABCQWYWIREQR-NOZJJQNGSA-N 1 0 328.250 4.003 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000850541303 1053304231 /nfs/dbraw/zinc/30/42/31/1053304231.db2.gz UZSBXWWLTJDJEQ-WBAXXEDZSA-N 1 0 347.890 4.231 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000120102964 1053312516 /nfs/dbraw/zinc/31/25/16/1053312516.db2.gz FQKIPGMNFOAJBI-KBXCAEBGSA-N 1 0 340.492 4.352 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000850558953 1053315093 /nfs/dbraw/zinc/31/50/93/1053315093.db2.gz YCTMMQUTZJVWLP-APPDUMDISA-N 1 0 340.250 4.392 20 10 EICDRO CC[C@@H]([NH2+]CC1SCCS1)c1ccc(C(F)(F)F)cc1O ZINC000850562723 1053317317 /nfs/dbraw/zinc/31/73/17/1053317317.db2.gz XCFPSYSGFGBSLE-LLVKDONJSA-N 1 0 337.432 4.258 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1SCCS1 ZINC000850562062 1053317915 /nfs/dbraw/zinc/31/79/15/1053317915.db2.gz SQAQCLBTUUETFR-KRWDZBQOSA-N 1 0 345.533 4.462 20 10 EICDRO CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1O ZINC000850565551 1053319549 /nfs/dbraw/zinc/31/95/49/1053319549.db2.gz DCBLNUVHHAMVMM-ZDUSSCGKSA-N 1 0 333.806 4.027 20 10 EICDRO COc1cccc(C2([NH2+][C@H](C)c3cccc(OC)c3O)CCC2)c1 ZINC000850566617 1053319913 /nfs/dbraw/zinc/31/99/13/1053319913.db2.gz OSWUGLFQYFZVKC-CQSZACIVSA-N 1 0 327.424 4.139 20 10 EICDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565941 1053320095 /nfs/dbraw/zinc/32/00/95/1053320095.db2.gz JTKBBTQBRVRBSB-GHTZIAJQSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000850570001 1053324895 /nfs/dbraw/zinc/32/48/95/1053324895.db2.gz PRPPVGOQEWFDHE-VIFPVBQESA-N 1 0 329.293 4.123 20 10 EICDRO Cc1cc(Br)cc(C[N@H+](C)Cc2ccsc2)c1O ZINC000775645001 1053330159 /nfs/dbraw/zinc/33/01/59/1053330159.db2.gz ZYIRDJFRWBWSMT-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](c2nccn2C)C2CC2)c(C)n1-c1ccccc1 ZINC000776481784 1053340401 /nfs/dbraw/zinc/34/04/01/1053340401.db2.gz DVWVJYOKRDAQSN-OAQYLSRUSA-N 1 0 348.494 4.111 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794800230 1053384145 /nfs/dbraw/zinc/38/41/45/1053384145.db2.gz BNERWENPVVABNR-MRXNPFEDSA-N 1 0 347.842 4.366 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1O ZINC000794792889 1053387600 /nfs/dbraw/zinc/38/76/00/1053387600.db2.gz GZVPTXIQYUBHPL-VQTJNVASSA-N 1 0 342.483 4.053 20 10 EICDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccccc1OC ZINC000775653682 1053388829 /nfs/dbraw/zinc/38/88/29/1053388829.db2.gz MNFAHRHAACZXHU-HNNXBMFYSA-N 1 0 329.440 4.383 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1O ZINC000794806040 1053405118 /nfs/dbraw/zinc/40/51/18/1053405118.db2.gz ZQSBFHQCQYIQFT-OXJNMPFZSA-N 1 0 342.458 4.407 20 10 EICDRO Cc1cccc(C[N@H+](C)Cc2csc(Br)c2)c1O ZINC000775659481 1053422403 /nfs/dbraw/zinc/42/24/03/1053422403.db2.gz IBLRICNSZAOGKG-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109773665 1053422645 /nfs/dbraw/zinc/42/26/45/1053422645.db2.gz XQRDOHAMWBYJIS-AWEZNQCLSA-N 1 0 346.858 4.121 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000794826401 1053429694 /nfs/dbraw/zinc/42/96/94/1053429694.db2.gz RPGKHVFJSDXWDK-WMZOPIPTSA-N 1 0 343.467 4.089 20 10 EICDRO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C)cc1O ZINC000794818555 1053431713 /nfs/dbraw/zinc/43/17/13/1053431713.db2.gz UAWXMYAWJUIYTP-ICSRJNTNSA-N 1 0 325.452 4.255 20 10 EICDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765144178 1053452810 /nfs/dbraw/zinc/45/28/10/1053452810.db2.gz VWTZFHDPAPBICK-SFHVURJKSA-N 1 0 340.515 4.313 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000775667499 1053459730 /nfs/dbraw/zinc/45/97/30/1053459730.db2.gz JTCWKSFRBAHWHI-UWJYYQICSA-N 1 0 341.451 4.001 20 10 EICDRO C[C@@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000794832660 1053462369 /nfs/dbraw/zinc/46/23/69/1053462369.db2.gz ARQFRQQOYHGJMY-OAHLLOKOSA-N 1 0 346.471 4.000 20 10 EICDRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765262551 1053481711 /nfs/dbraw/zinc/48/17/11/1053481711.db2.gz RBBIWSIGJCYBRA-HUUCEWRRSA-N 1 0 348.487 4.006 20 10 EICDRO Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(C)n1-c1cccc(C)c1 ZINC000765279806 1053490836 /nfs/dbraw/zinc/49/08/36/1053490836.db2.gz IRLXSFHESFKBRE-FQEVSTJZSA-N 1 0 334.467 4.293 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000765313980 1053499214 /nfs/dbraw/zinc/49/92/14/1053499214.db2.gz YKWUPQYFSVNQMI-DLBZAZTESA-N 1 0 341.474 4.069 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCc3ccc(C)cc3C)CC2)cc1 ZINC000765331236 1053505559 /nfs/dbraw/zinc/50/55/59/1053505559.db2.gz PYZAWYHPXVNGMX-UHFFFAOYSA-N 1 0 338.495 4.113 20 10 EICDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001195862486 1053509943 /nfs/dbraw/zinc/50/99/43/1053509943.db2.gz MCNAKODYHJMAGU-UXHICEINSA-N 1 0 330.516 4.375 20 10 EICDRO CC[C@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851841918 1053522864 /nfs/dbraw/zinc/52/28/64/1053522864.db2.gz ZUMARYQPOJIVDK-ZBFHGGJFSA-N 1 0 327.415 4.055 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000765442762 1053552560 /nfs/dbraw/zinc/55/25/60/1053552560.db2.gz VAKFNYDCQDBWET-APWZRJJASA-N 1 0 329.488 4.079 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(-c2ccccc2)c1 ZINC000765480192 1053561502 /nfs/dbraw/zinc/56/15/02/1053561502.db2.gz LGGORAOXZDKBHP-QGZVFWFLSA-N 1 0 346.478 4.106 20 10 EICDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000765478857 1053562756 /nfs/dbraw/zinc/56/27/56/1053562756.db2.gz GMMOCRVITDCDBC-FQEVSTJZSA-N 1 0 336.479 4.381 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1C ZINC000865653058 1053566341 /nfs/dbraw/zinc/56/63/41/1053566341.db2.gz BCXQHFJMSZRVTP-KRWDZBQOSA-N 1 0 337.822 4.015 20 10 EICDRO Cc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1N1CCCCC1 ZINC000852672497 1053598891 /nfs/dbraw/zinc/59/88/91/1053598891.db2.gz DUGAVHJIEQPWGL-UHFFFAOYSA-N 1 0 339.483 4.353 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1O ZINC000794891597 1053634841 /nfs/dbraw/zinc/63/48/41/1053634841.db2.gz GYAWGLYDQLUEIP-HXUWFJFHSA-N 1 0 329.415 4.012 20 10 EICDRO COc1ccc(N2CCC([NH2+]C/C(C)=C/c3ccccc3)CC2)cc1 ZINC000102432629 1053651040 /nfs/dbraw/zinc/65/10/40/1053651040.db2.gz CASUYKIOJWYCCL-FBMGVBCBSA-N 1 0 336.479 4.357 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2c(ccnc2Cl)o1 ZINC000866252416 1053665732 /nfs/dbraw/zinc/66/57/32/1053665732.db2.gz JEILKFPEDXGRJF-NSHDSACASA-N 1 0 328.799 4.267 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735500 1053715751 /nfs/dbraw/zinc/71/57/51/1053715751.db2.gz QFPVAIQYKAQIFD-CJNGLKHVSA-N 1 0 345.439 4.284 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735501 1053716328 /nfs/dbraw/zinc/71/63/28/1053716328.db2.gz QFPVAIQYKAQIFD-CZUORRHYSA-N 1 0 345.439 4.284 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1O ZINC000866405290 1053716827 /nfs/dbraw/zinc/71/68/27/1053716827.db2.gz WJDRVPRHWIRILG-MOFZMDFASA-N 1 0 347.842 4.235 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000866407914 1053716948 /nfs/dbraw/zinc/71/69/48/1053716948.db2.gz YTSZGKLZRAEDIN-HZPDHXFCSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000866408747 1053718035 /nfs/dbraw/zinc/71/80/35/1053718035.db2.gz CWEAHRAFNQYLHQ-SJCJKPOMSA-N 1 0 337.822 4.267 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1C ZINC000866422592 1053724697 /nfs/dbraw/zinc/72/46/97/1053724697.db2.gz PGAZGQQDXXDOHA-MRXNPFEDSA-N 1 0 341.451 4.079 20 10 EICDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000866455219 1053738277 /nfs/dbraw/zinc/73/82/77/1053738277.db2.gz KDJAIRYTMZHKGQ-BDAKNGLRSA-N 1 0 341.274 4.331 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc2ccccc2c1O ZINC000866478141 1053744410 /nfs/dbraw/zinc/74/44/10/1053744410.db2.gz FGZGYUSRDVEBPE-OAHLLOKOSA-N 1 0 333.431 4.469 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1O ZINC000866478928 1053747873 /nfs/dbraw/zinc/74/78/73/1053747873.db2.gz MRIPNFGBZOZMEW-SFHVURJKSA-N 1 0 331.843 4.359 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1C ZINC000866485776 1053748572 /nfs/dbraw/zinc/74/85/72/1053748572.db2.gz QYEBOLRHNOBWJT-STQMWFEESA-N 1 0 326.396 4.268 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1O ZINC000866485454 1053748882 /nfs/dbraw/zinc/74/88/82/1053748882.db2.gz LKXWHBYNIQWECP-WFASDCNBSA-N 1 0 326.396 4.349 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1O ZINC000866485451 1053750538 /nfs/dbraw/zinc/75/05/38/1053750538.db2.gz LKXWHBYNIQWECP-DOMZBBRYSA-N 1 0 326.396 4.349 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512355 1053760450 /nfs/dbraw/zinc/76/04/50/1053760450.db2.gz YLYMBRHQIMOPKB-TVQRCGJNSA-N 1 0 330.334 4.150 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC2(C)C)c1O ZINC001205951997 1053769983 /nfs/dbraw/zinc/76/99/83/1053769983.db2.gz NHNNQYJFKVASFU-ZDUSSCGKSA-N 1 0 326.278 4.379 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1O ZINC000854225896 1053782702 /nfs/dbraw/zinc/78/27/02/1053782702.db2.gz MKOFOEDEWOCLJM-QFYYESIMSA-N 1 0 347.256 4.075 20 10 EICDRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000765607928 1053802148 /nfs/dbraw/zinc/80/21/48/1053802148.db2.gz FTNBNWVEAICKSG-KRWDZBQOSA-N 1 0 329.827 4.278 20 10 EICDRO COc1ccc(-c2cccnc2)cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168548857 1053810002 /nfs/dbraw/zinc/81/00/02/1053810002.db2.gz IXIKEMSEDDLPFC-SFHVURJKSA-N 1 0 345.446 4.341 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C(C)C ZINC000121762841 1053846028 /nfs/dbraw/zinc/84/60/28/1053846028.db2.gz LUTUGEKKUCHONE-HNAYVOBHSA-N 1 0 327.472 4.104 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000121832294 1053850709 /nfs/dbraw/zinc/85/07/09/1053850709.db2.gz HIBBKXNGULUDJA-IAGOWNOFSA-N 1 0 334.467 4.350 20 10 EICDRO CCOc1cccc(CNc2ccc(N3CCCCC3)cc2)c1O ZINC000121987293 1053868889 /nfs/dbraw/zinc/86/88/89/1053868889.db2.gz SFHWFMUACHHLTM-UHFFFAOYSA-N 1 0 326.440 4.393 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000122184222 1053907450 /nfs/dbraw/zinc/90/74/50/1053907450.db2.gz HKINGIKARFYGQS-LJQANCHMSA-N 1 0 325.433 4.180 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c(O)c1 ZINC000776809660 1053918365 /nfs/dbraw/zinc/91/83/65/1053918365.db2.gz TYRGCXOHYXASOB-LBPRGKRZSA-N 1 0 328.437 4.251 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(OC)ccc2O)c2ccccc2)cc1 ZINC000775778496 1053940913 /nfs/dbraw/zinc/94/09/13/1053940913.db2.gz TZIOQPTVCZXMTG-JOCHJYFZSA-N 1 0 349.430 4.289 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000122464765 1053972328 /nfs/dbraw/zinc/97/23/28/1053972328.db2.gz OCNHSUKZPPZVTE-CYBMUJFWSA-N 1 0 348.487 4.473 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000122681770 1054018649 /nfs/dbraw/zinc/01/86/49/1054018649.db2.gz OLNNADNBVHCIPO-LJQANCHMSA-N 1 0 328.431 4.204 20 10 EICDRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829554 1054099897 /nfs/dbraw/zinc/09/98/97/1054099897.db2.gz ZQXLTKOLIDPOAR-AWEZNQCLSA-N 1 0 345.874 4.004 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1 ZINC000121509432 1054112212 /nfs/dbraw/zinc/11/22/12/1054112212.db2.gz CUVAUBMCJKKZEJ-LVCYWYKZSA-N 1 0 340.511 4.348 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(C)c1OC ZINC000796725544 1054121768 /nfs/dbraw/zinc/12/17/68/1054121768.db2.gz XERMTABFJZSFEZ-CQSZACIVSA-N 1 0 346.446 4.068 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1O ZINC000857082448 1054175111 /nfs/dbraw/zinc/17/51/11/1054175111.db2.gz VOGSFTVMRKALOM-NXEZZACHSA-N 1 0 334.204 4.159 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610654 1054211731 /nfs/dbraw/zinc/21/17/31/1054211731.db2.gz UIDUFMLIPZTGQT-XMSQKQJNSA-N 1 0 338.495 4.451 20 10 EICDRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000872028128 1054343557 /nfs/dbraw/zinc/34/35/57/1054343557.db2.gz PJPCQDZHGAQFDJ-GOEBONIOSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000872028130 1054345270 /nfs/dbraw/zinc/34/52/70/1054345270.db2.gz PJPCQDZHGAQFDJ-HOCLYGCPSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000872030205 1054346388 /nfs/dbraw/zinc/34/63/88/1054346388.db2.gz AUSXTHWWTBNKIA-AWEZNQCLSA-N 1 0 344.421 4.375 20 10 EICDRO COc1cc(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199286620 1054380745 /nfs/dbraw/zinc/38/07/45/1054380745.db2.gz RIZWULQHADFJFS-HNAYVOBHSA-N 1 0 349.515 4.383 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)c1O ZINC000872106084 1054390353 /nfs/dbraw/zinc/39/03/53/1054390353.db2.gz DSVRJUFKDCZNJL-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C2CCCCC2)N(C)C)cc1 ZINC001199328706 1054392154 /nfs/dbraw/zinc/39/21/54/1054392154.db2.gz FHRJAPSZOWXEMU-NRFANRHFSA-N 1 0 331.548 4.133 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1O ZINC000872117958 1054397275 /nfs/dbraw/zinc/39/72/75/1054397275.db2.gz XVTRWLYQPOMEAS-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132133 1054408470 /nfs/dbraw/zinc/40/84/70/1054408470.db2.gz BZZAUGPGUIMIOO-GOEBONIOSA-N 1 0 342.462 4.326 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000858100810 1054416918 /nfs/dbraw/zinc/41/69/18/1054416918.db2.gz NOUFQTSUBUHMEV-ZYHUDNBSSA-N 1 0 336.229 4.161 20 10 EICDRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC000858137511 1054422355 /nfs/dbraw/zinc/42/23/55/1054422355.db2.gz AIGMIVQLUANTDM-SFHVURJKSA-N 1 0 333.426 4.221 20 10 EICDRO CC(C)([NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000858142386 1054423388 /nfs/dbraw/zinc/42/33/88/1054423388.db2.gz ZXEYMWGMALRDPX-UHFFFAOYSA-N 1 0 326.259 4.241 20 10 EICDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2Cl)C1 ZINC000858161647 1054429809 /nfs/dbraw/zinc/42/98/09/1054429809.db2.gz CLEBLGPOXJSRBT-CQSZACIVSA-N 1 0 347.865 4.400 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000858207672 1054439538 /nfs/dbraw/zinc/43/95/38/1054439538.db2.gz SMRYSSSGTPHKGV-GOSISDBHSA-N 1 0 344.524 4.291 20 10 EICDRO COc1cccc(O)c1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000776005934 1054443396 /nfs/dbraw/zinc/44/33/96/1054443396.db2.gz KINYWCKRITYKIC-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012949 1054453610 /nfs/dbraw/zinc/45/36/10/1054453610.db2.gz SNOYSOACHSPEAS-MLGOLLRUSA-N 1 0 348.384 4.044 20 10 EICDRO CCn1nc(C)c(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c1C ZINC000858294445 1054455844 /nfs/dbraw/zinc/45/58/44/1054455844.db2.gz ZSVLPIGEYFKFDY-UHFFFAOYSA-N 1 0 336.483 4.217 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000858314949 1054459605 /nfs/dbraw/zinc/45/96/05/1054459605.db2.gz CNWIVHZVIOXURH-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO CCCC1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001199743574 1054460681 /nfs/dbraw/zinc/46/06/81/1054460681.db2.gz XAOJKLQSDPCMSO-UHFFFAOYSA-N 1 0 347.522 4.026 20 10 EICDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)n1 ZINC000872807303 1054465438 /nfs/dbraw/zinc/46/54/38/1054465438.db2.gz MRVALTDPZJYFGU-CYBMUJFWSA-N 1 0 346.496 4.150 20 10 EICDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000124325987 1054473009 /nfs/dbraw/zinc/47/30/09/1054473009.db2.gz NVOIVZRTSUGJAS-CABCVRRESA-N 1 0 328.456 4.182 20 10 EICDRO COc1ccccc1C(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199906235 1054487091 /nfs/dbraw/zinc/48/70/91/1054487091.db2.gz HTHDZPJPPKQSDG-HJWRWDBZSA-N 1 0 338.495 4.342 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000858442786 1054491622 /nfs/dbraw/zinc/49/16/22/1054491622.db2.gz MKJDCKAITQAMCQ-QUCCMNQESA-N 1 0 329.440 4.138 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490686 1054499501 /nfs/dbraw/zinc/49/95/01/1054499501.db2.gz LVGFHFKAJHLFLV-NEPJUHHUSA-N 1 0 331.287 4.082 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873186149 1054503744 /nfs/dbraw/zinc/50/37/44/1054503744.db2.gz GOFZLGXTAYGKJP-NSHDSACASA-N 1 0 341.352 4.156 20 10 EICDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858519323 1054508130 /nfs/dbraw/zinc/50/81/30/1054508130.db2.gz ZOCIGLWXJGOCMT-OAHLLOKOSA-N 1 0 327.447 4.370 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000124444395 1054514360 /nfs/dbraw/zinc/51/43/60/1054514360.db2.gz PZDBTJYPEAPBPO-GKCIPKSASA-N 1 0 330.447 4.055 20 10 EICDRO CCC[C@@H](CC)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000776155605 1054757732 /nfs/dbraw/zinc/75/77/32/1054757732.db2.gz FZMQEYMDVXQDGD-CQSZACIVSA-N 1 0 326.431 4.425 20 10 EICDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825789335 1054787867 /nfs/dbraw/zinc/78/78/67/1054787867.db2.gz PMNHXRFCWPFKOQ-MRXNPFEDSA-N 1 0 335.806 4.279 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1OC ZINC000776176640 1054803428 /nfs/dbraw/zinc/80/34/28/1054803428.db2.gz AIPFWFCLDYJAQF-QGZVFWFLSA-N 1 0 327.424 4.040 20 10 EICDRO CC(C)Nc1ccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)cc1 ZINC001201499863 1054821581 /nfs/dbraw/zinc/82/15/81/1054821581.db2.gz RNFOHHXKPQBXSX-UHFFFAOYSA-N 1 0 342.462 4.141 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1C ZINC001201703157 1054882008 /nfs/dbraw/zinc/88/20/08/1054882008.db2.gz FHICXNALSVCCRE-OAHLLOKOSA-N 1 0 348.849 4.165 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000776208855 1054897842 /nfs/dbraw/zinc/89/78/42/1054897842.db2.gz IQBMOSYTXOEXDY-UHFFFAOYSA-N 1 0 348.233 4.175 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1O ZINC000776218929 1054925123 /nfs/dbraw/zinc/92/51/23/1054925123.db2.gz CSSATXLTDBAKQH-PIGZYNQJSA-N 1 0 340.250 4.219 20 10 EICDRO Cc1noc(-c2ccc(C[NH2+]Cc3c(C)c4ccccc4n3C)cc2)n1 ZINC001201902305 1054939006 /nfs/dbraw/zinc/93/90/06/1054939006.db2.gz WKPIOWHDRJLTIX-UHFFFAOYSA-N 1 0 346.434 4.135 20 10 EICDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126115968 1054948462 /nfs/dbraw/zinc/94/84/62/1054948462.db2.gz HMKHDEMUYAEIOC-HZPDHXFCSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)c(O)c1 ZINC000876962757 1054988096 /nfs/dbraw/zinc/98/80/96/1054988096.db2.gz VXIGZVQARCOCSV-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)c(O)c1 ZINC000876950149 1054988180 /nfs/dbraw/zinc/98/81/80/1054988180.db2.gz GSPAWCUWFAMRJN-UHFFFAOYSA-N 1 0 338.451 4.119 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001202084074 1055022605 /nfs/dbraw/zinc/02/26/05/1055022605.db2.gz RYIGITWRBLTBBC-HTAPYJJXSA-N 1 0 335.495 4.268 20 10 EICDRO CC1(C)CN(Cc2c(O)cccc2Br)[C@H]1c1ccncc1 ZINC000862375985 1055056280 /nfs/dbraw/zinc/05/62/80/1055056280.db2.gz FBAMTVGFIORWQD-INIZCTEOSA-N 1 0 347.256 4.133 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CC[P@](C)(=O)OCC ZINC000877479208 1055061926 /nfs/dbraw/zinc/06/19/26/1055061926.db2.gz UNYYEFGTKCQUAU-IVZQSRNASA-N 1 0 326.421 4.085 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)CCc2cncc3ccccc32)c(O)c1 ZINC000877493251 1055062817 /nfs/dbraw/zinc/06/28/17/1055062817.db2.gz IQWHDNVGAARZAL-OAHLLOKOSA-N 1 0 336.435 4.060 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000777259175 1055070089 /nfs/dbraw/zinc/07/00/89/1055070089.db2.gz OSHKRQCEXSYWEP-IYWMVGAKSA-N 1 0 328.500 4.141 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1O ZINC000862538769 1055080282 /nfs/dbraw/zinc/08/02/82/1055080282.db2.gz FKJNUPASJUQDGW-OAHLLOKOSA-N 1 0 338.234 4.485 20 10 EICDRO C[C@H](CCO)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000776258140 1055080760 /nfs/dbraw/zinc/08/07/60/1055080760.db2.gz SODNFTBIUVGUDY-QGZVFWFLSA-N 1 0 339.479 4.338 20 10 EICDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001202259697 1055101990 /nfs/dbraw/zinc/10/19/90/1055101990.db2.gz VAZDODHYUVNMFC-INIZCTEOSA-N 1 0 334.479 4.111 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1F ZINC000126678390 1055110117 /nfs/dbraw/zinc/11/01/17/1055110117.db2.gz VOFKEVWAJMBQII-CQSZACIVSA-N 1 0 328.431 4.068 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)(F)F)c1ccccc1O ZINC000877757712 1055113510 /nfs/dbraw/zinc/11/35/10/1055113510.db2.gz SCUDFNJHXCVTLT-SNVBAGLBSA-N 1 0 329.293 4.281 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O ZINC000877756909 1055113748 /nfs/dbraw/zinc/11/37/48/1055113748.db2.gz CELGYGNTWGQOBC-SNVBAGLBSA-N 1 0 340.301 4.170 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccccc1O ZINC000877756036 1055114612 /nfs/dbraw/zinc/11/46/12/1055114612.db2.gz ZTUGONPRENBRLT-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccccc2O)c1O ZINC000877756589 1055114783 /nfs/dbraw/zinc/11/47/83/1055114783.db2.gz VULNYWIJHPKRAF-LLVKDONJSA-N 1 0 336.229 4.020 20 10 EICDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000877756311 1055114866 /nfs/dbraw/zinc/11/48/66/1055114866.db2.gz GLELBHFNDUZGGF-GFCCVEGCSA-N 1 0 335.831 4.304 20 10 EICDRO COc1c(Br)cccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756037 1055115032 /nfs/dbraw/zinc/11/50/32/1055115032.db2.gz ZWBJWRVKFKCJEF-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC(C)C)c2ccccc2)c1 ZINC000794461406 1055124950 /nfs/dbraw/zinc/12/49/50/1055124950.db2.gz JMIFXQPQKRTAJQ-FOIQADDNSA-N 1 0 329.440 4.218 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000119261337 1055145418 /nfs/dbraw/zinc/14/54/18/1055145418.db2.gz CUZRIYWFGICARV-QFIPXVFZSA-N 1 0 348.494 4.238 20 10 EICDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)Oc1cc(F)cc(F)c1 ZINC001202367282 1055153750 /nfs/dbraw/zinc/15/37/50/1055153750.db2.gz YOKSMPMAVHMEBD-UHFFFAOYSA-N 1 0 347.405 4.237 20 10 EICDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)C1 ZINC000878326267 1055244593 /nfs/dbraw/zinc/24/45/93/1055244593.db2.gz QQIVTVOIZSJJMB-ABSDTBQOSA-N 1 0 325.452 4.380 20 10 EICDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000765798866 1055335072 /nfs/dbraw/zinc/33/50/72/1055335072.db2.gz DPKBTCPSFHLXLF-CQSZACIVSA-N 1 0 331.529 4.400 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000131552660 1055344040 /nfs/dbraw/zinc/34/40/40/1055344040.db2.gz UKVYFHQIAAUTKB-AWEZNQCLSA-N 1 0 342.874 4.295 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000186361113 1055391618 /nfs/dbraw/zinc/39/16/18/1055391618.db2.gz RIJGFBZFZHXWAV-LBPRGKRZSA-N 1 0 333.378 4.409 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccccc1O)OC(C)C ZINC000186376149 1055414426 /nfs/dbraw/zinc/41/44/26/1055414426.db2.gz UQNMJCARMVHTTR-YWZLYKJASA-N 1 0 329.440 4.218 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC(C)C ZINC000186384434 1055428396 /nfs/dbraw/zinc/42/83/96/1055428396.db2.gz QNZUPYGJMRRZTR-VBKZILBWSA-N 1 0 347.430 4.357 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2O ZINC000765819719 1055637717 /nfs/dbraw/zinc/63/77/17/1055637717.db2.gz WNNGFLAMBKPJJP-PRIMNGNOSA-N 1 0 349.833 4.230 20 10 EICDRO CCOc1cccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1O ZINC000186439621 1055839826 /nfs/dbraw/zinc/83/98/26/1055839826.db2.gz XHZFQQDTIHNXBT-OAHLLOKOSA-N 1 0 339.357 4.227 20 10 EICDRO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921761396 1056464683 /nfs/dbraw/zinc/46/46/83/1056464683.db2.gz WJFRAQAEVMVZSD-HNNXBMFYSA-N 1 0 335.451 4.232 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(-n2cccn2)cc1 ZINC000921807804 1056616848 /nfs/dbraw/zinc/61/68/48/1056616848.db2.gz UWMXVJWJMFMDGK-INIZCTEOSA-N 1 0 333.435 4.048 20 10 EICDRO Clc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001168684190 1056720606 /nfs/dbraw/zinc/72/06/06/1056720606.db2.gz GTELUPLORPHQGD-QGZVFWFLSA-N 1 0 326.871 4.197 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000741261297 1058186604 /nfs/dbraw/zinc/18/66/04/1058186604.db2.gz NVMYDBGZXIFCBA-LJQANCHMSA-N 1 0 330.472 4.038 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167419 1058529079 /nfs/dbraw/zinc/52/90/79/1058529079.db2.gz FVSRFMNRVBUXCS-AOMKIAJQSA-N 1 0 337.463 4.151 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1cccc(F)c1 ZINC000742381198 1058579642 /nfs/dbraw/zinc/57/96/42/1058579642.db2.gz WDMFZRSXIUYUQJ-KRWDZBQOSA-N 1 0 342.458 4.373 20 10 EICDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000742374218 1058599853 /nfs/dbraw/zinc/59/98/53/1058599853.db2.gz QVXLOHSQYLKLKO-VQTJNVASSA-N 1 0 328.500 4.114 20 10 EICDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742377701 1058602841 /nfs/dbraw/zinc/60/28/41/1058602841.db2.gz PWIUTBBHKZNLHX-OAHLLOKOSA-N 1 0 349.478 4.130 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869809 1059190747 /nfs/dbraw/zinc/19/07/47/1059190747.db2.gz AUBIASUQPSJPGK-QGZVFWFLSA-N 1 0 346.515 4.174 20 10 EICDRO Oc1ccccc1C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000744398404 1059452068 /nfs/dbraw/zinc/45/20/68/1059452068.db2.gz QMZMNSBRRAKERY-UHFFFAOYSA-N 1 0 349.430 4.165 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000744437399 1059500791 /nfs/dbraw/zinc/50/07/91/1059500791.db2.gz SEKBERVNRQMHQG-UHFFFAOYSA-N 1 0 325.452 4.397 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000752266431 1060247718 /nfs/dbraw/zinc/24/77/18/1060247718.db2.gz QLOUDBMETCGLSN-OCCSQVGLSA-N 1 0 332.385 4.350 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1 ZINC000766353606 1060301429 /nfs/dbraw/zinc/30/14/29/1060301429.db2.gz GKKQAVYJIFCESE-MRXNPFEDSA-N 1 0 337.467 4.486 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000766489835 1060379400 /nfs/dbraw/zinc/37/94/00/1060379400.db2.gz UJKBBDYAMOEARD-QRWLVFNGSA-N 1 0 326.509 4.434 20 10 EICDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000766478793 1060386390 /nfs/dbraw/zinc/38/63/90/1060386390.db2.gz JDEHGIQUAGAUPK-OCDPCBSRSA-N 1 0 330.516 4.411 20 10 EICDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766607018 1060655619 /nfs/dbraw/zinc/65/56/19/1060655619.db2.gz YHQXZACPNPRMFT-MRXNPFEDSA-N 1 0 327.447 4.104 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1C ZINC000037985159 213183660 /nfs/dbraw/zinc/18/36/60/213183660.db2.gz KLABNFLIWZSJLI-UHFFFAOYSA-N 1 0 326.259 4.117 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490462 522756911 /nfs/dbraw/zinc/75/69/11/522756911.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 1 0 343.298 4.367 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000279921403 1032795877 /nfs/dbraw/zinc/79/58/77/1032795877.db2.gz AGCNYIAKIHPZPJ-AUUYWEPGSA-N 1 0 326.440 4.461 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000279921411 1032798863 /nfs/dbraw/zinc/79/88/63/1032798863.db2.gz AGCNYIAKIHPZPJ-KUHUBIRLSA-N 1 0 326.440 4.461 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC000274737764 1019092133 /nfs/dbraw/zinc/09/21/33/1019092133.db2.gz DRBKUODLOVLHIX-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCCOC)cc2)cc1 ZINC000154067538 1019337211 /nfs/dbraw/zinc/33/72/11/1019337211.db2.gz WHFZXYKUSUKXEN-QGZVFWFLSA-N 1 0 342.483 4.019 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(C(C)C)cc32)c(O)c1OC ZINC000893718081 1032841694 /nfs/dbraw/zinc/84/16/94/1032841694.db2.gz YVKIQDBFZPKPOV-SFHVURJKSA-N 1 0 341.451 4.310 20 10 EICDRO COc1cccc(C[NH2+]CCOc2ccccc2-c2ccccc2)c1O ZINC000237373860 1032860404 /nfs/dbraw/zinc/86/04/04/1032860404.db2.gz CHSBHJUAZXSCOF-UHFFFAOYSA-N 1 0 349.430 4.236 20 10 EICDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1cc(F)ccc1O ZINC001140055992 1020419922 /nfs/dbraw/zinc/41/99/22/1020419922.db2.gz CVHYOFSTYSTZPE-NSHDSACASA-N 1 0 338.220 4.487 20 10 EICDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000078996565 1021135001 /nfs/dbraw/zinc/13/50/01/1021135001.db2.gz ZKBXGBRGOLERTI-HNNXBMFYSA-N 1 0 330.497 4.052 20 10 EICDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000725852581 1022122246 /nfs/dbraw/zinc/12/22/46/1022122246.db2.gz GKEZAMUHLRFDQR-UHFFFAOYSA-N 1 0 325.452 4.336 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000310865917 1022527916 /nfs/dbraw/zinc/52/79/16/1022527916.db2.gz XOXZPQWUPGDGHT-PMPSAXMXSA-N 1 0 348.487 4.139 20 10 EICDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756379427 1022548642 /nfs/dbraw/zinc/54/86/42/1022548642.db2.gz NIUXKYHARHDTPX-ZJUUUORDSA-N 1 0 342.208 4.169 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855263 1022856729 /nfs/dbraw/zinc/85/67/29/1022856729.db2.gz NIAFUAAPEIKGLW-OXQOHEQNSA-N 1 0 335.451 4.183 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC3CCCC3)nc2)c(O)c1 ZINC000185057087 1023001782 /nfs/dbraw/zinc/00/17/82/1023001782.db2.gz UMMFNIDFGXRBSP-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cc(F)ccc3O)co2)cc1 ZINC000185304456 1023028915 /nfs/dbraw/zinc/02/89/15/1023028915.db2.gz KHRTZTYNHBMKAY-AWEZNQCLSA-N 1 0 340.398 4.388 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546816 1023051616 /nfs/dbraw/zinc/05/16/16/1023051616.db2.gz QSIUSVZQWFTOFS-YRNRMSPPSA-N 1 0 344.524 4.496 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185695590 1023064044 /nfs/dbraw/zinc/06/40/44/1023064044.db2.gz BMZMJCPWWJTGSP-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248525311 1023075106 /nfs/dbraw/zinc/07/51/06/1023075106.db2.gz UJPPULHSMWNBEM-CMKODMSKSA-N 1 0 338.495 4.404 20 10 EICDRO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000186138315 1023099556 /nfs/dbraw/zinc/09/95/56/1023099556.db2.gz KYUKUESNPSITEA-OAHLLOKOSA-N 1 0 339.483 4.433 20 10 EICDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834844151 1023147862 /nfs/dbraw/zinc/14/78/62/1023147862.db2.gz NKRLUYGYSXEHGM-ONGXEEELSA-N 1 0 325.758 4.054 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000376787127 1023312754 /nfs/dbraw/zinc/31/27/54/1023312754.db2.gz JSROUVMNSPJSBR-UONOGXRCSA-N 1 0 325.387 4.129 20 10 EICDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000754726586 1023484035 /nfs/dbraw/zinc/48/40/35/1023484035.db2.gz SVTNGYBCJALWRL-UHFFFAOYSA-N 1 0 335.488 4.088 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3s2)c(O)c1OC ZINC000892928028 1023508952 /nfs/dbraw/zinc/50/89/52/1023508952.db2.gz FCXRERRBIFMMAQ-GFCCVEGCSA-N 1 0 343.448 4.475 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)c1ccccc1O ZINC000156360058 1023625283 /nfs/dbraw/zinc/62/52/83/1023625283.db2.gz LUNUJOXQSDPKRM-LJQANCHMSA-N 1 0 335.451 4.436 20 10 EICDRO CSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCC1 ZINC000193802537 1023726009 /nfs/dbraw/zinc/72/60/09/1023726009.db2.gz RTCIQKCSIABLJQ-JTQLQIEISA-N 1 0 330.291 4.091 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Br)cc1 ZINC000313263187 1024101036 /nfs/dbraw/zinc/10/10/36/1024101036.db2.gz ZDYNYFBAPAAKGS-XHDPSFHLSA-N 1 0 332.241 4.493 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C ZINC000091891005 1024690155 /nfs/dbraw/zinc/69/01/55/1024690155.db2.gz KCNSYWBSGLETJX-AEFFLSMTSA-N 1 0 331.481 4.159 20 10 EICDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)c2ccccc2)n1 ZINC000277017321 1024998221 /nfs/dbraw/zinc/99/82/21/1024998221.db2.gz CVBLZQJPZZVHMR-RDTXWAMCSA-N 1 0 337.423 4.027 20 10 EICDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)c2ccccc2)n1 ZINC000277017312 1024998924 /nfs/dbraw/zinc/99/89/24/1024998924.db2.gz CVBLZQJPZZVHMR-KDOFPFPSSA-N 1 0 337.423 4.027 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(C)cc1O ZINC000375648320 1025233874 /nfs/dbraw/zinc/23/38/74/1025233874.db2.gz JQCCYMCLKYNPIX-HXUWFJFHSA-N 1 0 335.451 4.342 20 10 EICDRO CCCN(Cc1csc(C(F)(F)F)n1)c1ccc(C[NH3+])cc1 ZINC000894048023 1033282717 /nfs/dbraw/zinc/28/27/17/1033282717.db2.gz XEKWFAVJFBJLSO-UHFFFAOYSA-N 1 0 329.391 4.037 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(F)F)c(F)c2)c1 ZINC000894503196 1026082792 /nfs/dbraw/zinc/08/27/92/1026082792.db2.gz ZAIKLSZHVHNVNJ-JTQLQIEISA-N 1 0 325.330 4.328 20 10 EICDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000158301735 1026616917 /nfs/dbraw/zinc/61/69/17/1026616917.db2.gz NOUPSJVXRURWET-SFHVURJKSA-N 1 0 340.515 4.084 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Br)c1 ZINC000048819625 1026644940 /nfs/dbraw/zinc/64/49/40/1026644940.db2.gz OHJBQVFCLKRFGS-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695148 1027573018 /nfs/dbraw/zinc/57/30/18/1027573018.db2.gz IVUHZNCHBNXYAX-ROUUACIJSA-N 1 0 340.515 4.169 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382461035 1027664720 /nfs/dbraw/zinc/66/47/20/1027664720.db2.gz WAWXMNRBQUQROZ-HRCADAONSA-N 1 0 348.487 4.045 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c(OC)c1 ZINC000327261305 1027694784 /nfs/dbraw/zinc/69/47/84/1027694784.db2.gz BQNZIQXAYLAPNQ-AWEZNQCLSA-N 1 0 337.419 4.413 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001167646577 1027828577 /nfs/dbraw/zinc/82/85/77/1027828577.db2.gz FILFNAZGDGJDLP-SFHVURJKSA-N 1 0 346.515 4.087 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281373938 1028572185 /nfs/dbraw/zinc/57/21/85/1028572185.db2.gz WUYQNBDAJBMWOU-HXUWFJFHSA-N 1 0 327.447 4.308 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000192720674 1029369278 /nfs/dbraw/zinc/36/92/78/1029369278.db2.gz IHBQXJQSHQEMIV-VXGBXAGGSA-N 1 0 337.366 4.414 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000475201969 1029433202 /nfs/dbraw/zinc/43/32/02/1029433202.db2.gz KJOAZMXDWLOEQM-UHFFFAOYSA-N 1 0 338.842 4.078 20 10 EICDRO COCC[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000840835834 1029529844 /nfs/dbraw/zinc/52/98/44/1029529844.db2.gz QZNZUACSDGZCBP-XLIONFOSSA-N 1 0 327.468 4.328 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)c1 ZINC000185152520 1030120718 /nfs/dbraw/zinc/12/07/18/1030120718.db2.gz LEBYOCSQHNDDOS-YCRPNKLZSA-N 1 0 334.419 4.236 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1O ZINC000185229001 1030134357 /nfs/dbraw/zinc/13/43/57/1030134357.db2.gz XSFHBIALPLGDPU-CYBMUJFWSA-N 1 0 327.815 4.082 20 10 EICDRO Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)n1 ZINC000185477598 1030156607 /nfs/dbraw/zinc/15/66/07/1030156607.db2.gz ZJOMMGIMRLAAGV-CQSZACIVSA-N 1 0 345.874 4.069 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213575 1030223742 /nfs/dbraw/zinc/22/37/42/1030223742.db2.gz ALUWRZMGUIEBHD-ZIAGYGMSSA-N 1 0 329.271 4.024 20 10 EICDRO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626064 1030291257 /nfs/dbraw/zinc/29/12/57/1030291257.db2.gz CIXUNYUCYXSAQJ-UYAOXDASSA-N 1 0 339.414 4.095 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000530412800 1030385937 /nfs/dbraw/zinc/38/59/37/1030385937.db2.gz JVUOFHRAOGJQJY-HNNXBMFYSA-N 1 0 347.462 4.222 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Br)cc1O ZINC000528035386 1031049314 /nfs/dbraw/zinc/04/93/14/1031049314.db2.gz GYNINCQEWPAIAO-ZJUUUORDSA-N 1 0 339.208 4.101 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C2CC2)cn1 ZINC000528044271 1031079068 /nfs/dbraw/zinc/07/90/68/1031079068.db2.gz SPCNSYUGBREBQI-KUHUBIRLSA-N 1 0 326.440 4.215 20 10 EICDRO COc1ccccc1OCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725841425 1031329289 /nfs/dbraw/zinc/32/92/89/1031329289.db2.gz DALFBXIUSFONLC-UHFFFAOYSA-N 1 0 349.430 4.236 20 10 EICDRO C[C@@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1O ZINC000359990982 1031905617 /nfs/dbraw/zinc/90/56/17/1031905617.db2.gz CWVCIAHFYCDGLY-CYBMUJFWSA-N 1 0 327.815 4.082 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000237092584 1034797961 /nfs/dbraw/zinc/79/79/61/1034797961.db2.gz BHYAQICOIDLVJF-KRWDZBQOSA-N 1 0 329.440 4.496 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000513337075 1034886308 /nfs/dbraw/zinc/88/63/08/1034886308.db2.gz BCGYMKIIRHJVMA-UHFFFAOYSA-N 1 0 344.462 4.177 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274411 1035226892 /nfs/dbraw/zinc/22/68/92/1035226892.db2.gz YCBMKSLOZPYNBX-CHWSQXEVSA-N 1 0 348.288 4.322 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccc(N(C)C)cc1 ZINC000151205233 1035579005 /nfs/dbraw/zinc/57/90/05/1035579005.db2.gz QNDIJABANMVCGA-FQEVSTJZSA-N 1 0 330.447 4.279 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]CCSc1ccccc1 ZINC000227435105 1035796295 /nfs/dbraw/zinc/79/62/95/1035796295.db2.gz SHBYJACGEDEEQF-UHFFFAOYSA-N 1 0 338.270 4.037 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1O ZINC000761203381 1036040028 /nfs/dbraw/zinc/04/00/28/1036040028.db2.gz QWGBWIOAEHMYHZ-KRWDZBQOSA-N 1 0 349.883 4.344 20 10 EICDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207057 1036052668 /nfs/dbraw/zinc/05/26/68/1036052668.db2.gz XIUFBHNRKACHFN-UONOGXRCSA-N 1 0 329.893 4.160 20 10 EICDRO CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000170788919 1036843219 /nfs/dbraw/zinc/84/32/19/1036843219.db2.gz IZLZQQZLHDTEMY-OAHLLOKOSA-N 1 0 330.447 4.224 20 10 EICDRO O=C(c1ccccc1)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000027535122 1036936133 /nfs/dbraw/zinc/93/61/33/1036936133.db2.gz LGNQOQLANGBGOB-UHFFFAOYSA-N 1 0 346.430 4.035 20 10 EICDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CCO1 ZINC000273445291 1037466782 /nfs/dbraw/zinc/46/67/82/1037466782.db2.gz DXZQUMINBQPHNT-DETPVDSQSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273468872 1037473744 /nfs/dbraw/zinc/47/37/44/1037473744.db2.gz RSDBZYLSRDJDQN-VHFSOBRXSA-N 1 0 329.415 4.411 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000273468785 1037474280 /nfs/dbraw/zinc/47/42/80/1037474280.db2.gz ROQQTGKKWAJHNM-JNAXZKDPSA-N 1 0 329.415 4.411 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560447 1037505965 /nfs/dbraw/zinc/50/59/65/1037505965.db2.gz HYMZKRNLISVZHI-SWLSCSKDSA-N 1 0 348.878 4.165 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)c(O)c1C ZINC000760910031 1037659077 /nfs/dbraw/zinc/65/90/77/1037659077.db2.gz UPHZIXMTXGVVJS-QXAHSBQVSA-N 1 0 339.479 4.490 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000151069188 1038635701 /nfs/dbraw/zinc/63/57/01/1038635701.db2.gz NDGRYCFKKKAUSY-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(-c2cccs2)no1 ZINC000174374561 1038922342 /nfs/dbraw/zinc/92/23/42/1038922342.db2.gz XZRLZMPJYGTLEA-CYBMUJFWSA-N 1 0 343.452 4.477 20 10 EICDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccc(OC)c3O)cc2)cc1 ZINC000174575795 1039007996 /nfs/dbraw/zinc/00/79/96/1039007996.db2.gz VCDGMCGJGSEQIB-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030632515 1039285882 /nfs/dbraw/zinc/28/58/82/1039285882.db2.gz MFAWCSHWMVGOJF-INIZCTEOSA-N 1 0 342.483 4.399 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1CCCC1 ZINC000093319315 1039658881 /nfs/dbraw/zinc/65/88/81/1039658881.db2.gz ALMALTBNBHUMDX-UHFFFAOYSA-N 1 0 348.450 4.122 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Br)ccc1O ZINC000697702758 1040231999 /nfs/dbraw/zinc/23/19/99/1040231999.db2.gz WVFJORJHRCAHQR-JOYOIKCWSA-N 1 0 336.220 4.487 20 10 EICDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000479433987 1040340813 /nfs/dbraw/zinc/34/08/13/1040340813.db2.gz BWUFGCARMLWNMO-HNNXBMFYSA-N 1 0 335.451 4.296 20 10 EICDRO COc1ncc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1Cl ZINC000551513548 1040364380 /nfs/dbraw/zinc/36/43/80/1040364380.db2.gz QSACQKBAKVXEMQ-CYBMUJFWSA-N 1 0 343.858 4.395 20 10 EICDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC000904274465 1041413130 /nfs/dbraw/zinc/41/31/30/1041413130.db2.gz MSCYZLQSOXGHCI-DOXZYTNZSA-N 1 0 349.438 4.446 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(OC)c(OC)c1 ZINC000287610307 1041475902 /nfs/dbraw/zinc/47/59/02/1041475902.db2.gz SKZQNGVWCACDAG-BLLLJJGKSA-N 1 0 333.403 4.350 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cc1OC ZINC000295940617 1042540178 /nfs/dbraw/zinc/54/01/78/1042540178.db2.gz GICRIEJZKPRZRC-JTQLQIEISA-N 1 0 339.794 4.053 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761522893 1042874670 /nfs/dbraw/zinc/87/46/70/1042874670.db2.gz MZGLWBJXLRFJAY-UHFFFAOYSA-N 1 0 347.846 4.384 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000152865050 1043004882 /nfs/dbraw/zinc/00/48/82/1043004882.db2.gz FGMXVZDBXUHQKN-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765954881 1043092232 /nfs/dbraw/zinc/09/22/32/1043092232.db2.gz QZXOSOLIRZCSBK-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000163625448 1043251796 /nfs/dbraw/zinc/25/17/96/1043251796.db2.gz AHKPQVBKVZJXMD-OAHLLOKOSA-N 1 0 330.472 4.230 20 10 EICDRO CCC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1O ZINC000727830636 1043312673 /nfs/dbraw/zinc/31/26/73/1043312673.db2.gz FDFFQUMTFUFZNY-UHFFFAOYSA-N 1 0 339.414 4.129 20 10 EICDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727839076 1043314513 /nfs/dbraw/zinc/31/45/13/1043314513.db2.gz WMUJZKWHBSIABG-CTNGQTDRSA-N 1 0 330.516 4.218 20 10 EICDRO [O-]c1c(F)cc(Br)cc1C[NH2+]CCCc1ccccc1 ZINC000715744582 1043615008 /nfs/dbraw/zinc/61/50/08/1043615008.db2.gz IUYKYOZOWPFISL-UHFFFAOYSA-N 1 0 338.220 4.016 20 10 EICDRO C[C@@H]([NH2+]C(C)(C)CNCc1c(O)cccc1Cl)c1ccccc1 ZINC000733900980 1043856059 /nfs/dbraw/zinc/85/60/59/1043856059.db2.gz UTHUADFGXSTAIR-CQSZACIVSA-N 1 0 332.875 4.265 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000701943601 1043857866 /nfs/dbraw/zinc/85/78/66/1043857866.db2.gz IFXVUIOJDLLSHP-CABZTGNLSA-N 1 0 334.204 4.241 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000732408661 1043921525 /nfs/dbraw/zinc/92/15/25/1043921525.db2.gz XHQFHFNYRPYXRA-UHFFFAOYSA-N 1 0 349.478 4.419 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(F)cc1Br ZINC000733325779 1044190067 /nfs/dbraw/zinc/19/00/67/1044190067.db2.gz XIASXMXCWJEXMC-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCc3cc(C)cc(C)c3)CC2)cc1 ZINC000766129859 1044289878 /nfs/dbraw/zinc/28/98/78/1044289878.db2.gz WSGGMIQSNVOKGC-UHFFFAOYSA-N 1 0 338.495 4.113 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282632433 1044364919 /nfs/dbraw/zinc/36/49/19/1044364919.db2.gz JUPUBZBSLMIASF-FQEVSTJZSA-N 1 0 328.500 4.116 20 10 EICDRO C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000734004118 1044454234 /nfs/dbraw/zinc/45/42/34/1044454234.db2.gz OSFKBAOPRVVJOS-JOCHJYFZSA-N 1 0 333.431 4.057 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1C ZINC000734477295 1044587043 /nfs/dbraw/zinc/58/70/43/1044587043.db2.gz YNDWKCZTMWLWCR-UHFFFAOYSA-N 1 0 329.415 4.192 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000691409381 1044659066 /nfs/dbraw/zinc/65/90/66/1044659066.db2.gz DZLKTMPBXGSXJJ-KRWDZBQOSA-N 1 0 332.241 4.396 20 10 EICDRO CC(C)(C)c1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000734848386 1044700046 /nfs/dbraw/zinc/70/00/46/1044700046.db2.gz GCAKPCGBONSCMQ-GOSISDBHSA-N 1 0 333.859 4.166 20 10 EICDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000706854177 1044784531 /nfs/dbraw/zinc/78/45/31/1044784531.db2.gz SKHQDMSHRYISCJ-VIFPVBQESA-N 1 0 340.183 4.223 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735324279 1044795182 /nfs/dbraw/zinc/79/51/82/1044795182.db2.gz LUBJQQFZXZEMBV-CYBMUJFWSA-N 1 0 346.268 4.049 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c(O)c1OC ZINC000895672565 1044847538 /nfs/dbraw/zinc/84/75/38/1044847538.db2.gz UFRJASMEEPAGEH-MRXNPFEDSA-N 1 0 347.842 4.230 20 10 EICDRO COc1cccc2cc(C[NH2+]CCCSc3nccs3)oc21 ZINC000735925418 1044878703 /nfs/dbraw/zinc/87/87/03/1044878703.db2.gz HECPVOGFXXBWMB-UHFFFAOYSA-N 1 0 334.466 4.170 20 10 EICDRO CCOc1cc(CCC[NH2+]Cc2ccc(OC)c(C)c2)ccc1OC ZINC000736360432 1044931652 /nfs/dbraw/zinc/93/16/52/1044931652.db2.gz DCAGYIBYBZXLLR-UHFFFAOYSA-N 1 0 343.467 4.133 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147638 1045041234 /nfs/dbraw/zinc/04/12/34/1045041234.db2.gz FGVGDADWQZLRRG-INIZCTEOSA-N 1 0 347.418 4.325 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)CCO2 ZINC000186692488 1045132289 /nfs/dbraw/zinc/13/22/89/1045132289.db2.gz FVSFVCBOSTVZSV-RDTXWAMCSA-N 1 0 327.424 4.274 20 10 EICDRO CCCOc1ncccc1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740004554 1045175036 /nfs/dbraw/zinc/17/50/36/1045175036.db2.gz QHDQPRSQLNLHRC-UHFFFAOYSA-N 1 0 345.462 4.146 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000915229503 1045202255 /nfs/dbraw/zinc/20/22/55/1045202255.db2.gz FWQFDTSEXOYGMZ-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184933 1045259890 /nfs/dbraw/zinc/25/98/90/1045259890.db2.gz AGDFWKJABQBDGG-VQTJNVASSA-N 1 0 340.467 4.326 20 10 EICDRO Oc1cc2c(cc1C[NH2+][C@H]1CCSc3ccc(Cl)cc31)OCO2 ZINC000238140443 1045402897 /nfs/dbraw/zinc/40/28/97/1045402897.db2.gz VJJQULWQYHUSHI-ZDUSSCGKSA-N 1 0 349.839 4.101 20 10 EICDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCC(C)CC4)cc3)cn2c1 ZINC000790534914 1045527143 /nfs/dbraw/zinc/52/71/43/1045527143.db2.gz XSQNEGHUVMDKTI-UHFFFAOYSA-N 1 0 348.494 4.169 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000790697155 1045559303 /nfs/dbraw/zinc/55/93/03/1045559303.db2.gz KDOIZORVJQIIDB-APWZRJJASA-N 1 0 340.515 4.128 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1O ZINC000790694990 1045559787 /nfs/dbraw/zinc/55/97/87/1045559787.db2.gz CIHQSUYZQJITDI-NVXWUHKLSA-N 1 0 347.890 4.421 20 10 EICDRO Cc1c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cccc1[N+](=O)[O-] ZINC000790695284 1045560030 /nfs/dbraw/zinc/56/00/30/1045560030.db2.gz MIMWKRZEXBJCHX-AWEZNQCLSA-N 1 0 340.423 4.338 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccc(N(C)C)cc1 ZINC000790696329 1045560913 /nfs/dbraw/zinc/56/09/13/1045560913.db2.gz GUAQQDCFODDMFY-QUCCMNQESA-N 1 0 340.515 4.128 20 10 EICDRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000790727668 1045570304 /nfs/dbraw/zinc/57/03/04/1045570304.db2.gz PKHYQSQZAWBMRD-SVMVAKDDSA-N 1 0 340.511 4.033 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)c1O ZINC000768168836 1045733106 /nfs/dbraw/zinc/73/31/06/1045733106.db2.gz OOWFHIUMRDAMAP-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)c1 ZINC000768199146 1045739817 /nfs/dbraw/zinc/73/98/17/1045739817.db2.gz BZCYQMGYQDVKEX-GOSISDBHSA-N 1 0 327.424 4.055 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1F ZINC000768240330 1045750822 /nfs/dbraw/zinc/75/08/22/1045750822.db2.gz TUTLFMQNOSAJHF-UHFFFAOYSA-N 1 0 346.446 4.018 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227782 1045757577 /nfs/dbraw/zinc/75/75/77/1045757577.db2.gz IUTLAQZATDQKPW-LJQANCHMSA-N 1 0 340.467 4.107 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1C ZINC000768234358 1045759468 /nfs/dbraw/zinc/75/94/68/1045759468.db2.gz GOBXAMHNARDDIQ-UHFFFAOYSA-N 1 0 333.435 4.175 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000768258190 1045768698 /nfs/dbraw/zinc/76/86/98/1045768698.db2.gz SSCIAGVLIMLQBB-UHFFFAOYSA-N 1 0 340.467 4.022 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000768363658 1045799103 /nfs/dbraw/zinc/79/91/03/1045799103.db2.gz BDCBFRIGGDCIKN-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463724 1045810805 /nfs/dbraw/zinc/81/08/05/1045810805.db2.gz WAZMELVIQHVVOK-FXAWDEMLSA-N 1 0 345.483 4.143 20 10 EICDRO CCOc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC000768529986 1045815345 /nfs/dbraw/zinc/81/53/45/1045815345.db2.gz AXDYNRJRBKJKOI-IBGZPJMESA-N 1 0 347.842 4.018 20 10 EICDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768939905 1045863240 /nfs/dbraw/zinc/86/32/40/1045863240.db2.gz FKVJYSXZTYSHBU-LJQANCHMSA-N 1 0 347.462 4.172 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385395 1045868229 /nfs/dbraw/zinc/86/82/29/1045868229.db2.gz IGKXQFPAQINUBS-QMTMVMCOSA-N 1 0 330.497 4.187 20 10 EICDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(O)c1 ZINC000792186649 1045876306 /nfs/dbraw/zinc/87/63/06/1045876306.db2.gz GGXYDLNUZQEBFS-HNNXBMFYSA-N 1 0 331.378 4.201 20 10 EICDRO C[C@@H](c1ccco1)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000769102544 1045879277 /nfs/dbraw/zinc/87/92/77/1045879277.db2.gz PFVGCQCXXBVUFQ-NSHDSACASA-N 1 0 336.229 4.473 20 10 EICDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)C(C)C ZINC000769153864 1045885216 /nfs/dbraw/zinc/88/52/16/1045885216.db2.gz QRLYOOYAJKBELC-LLVKDONJSA-N 1 0 330.266 4.030 20 10 EICDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153914431 1045968346 /nfs/dbraw/zinc/96/83/46/1045968346.db2.gz LHMLVKBINHRFLA-CYBMUJFWSA-N 1 0 331.435 4.272 20 10 EICDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000769470640 1045986535 /nfs/dbraw/zinc/98/65/35/1045986535.db2.gz MPHUSXWRLFSMHJ-RISCZKNCSA-N 1 0 331.287 4.004 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)cc1C ZINC000769496069 1045994623 /nfs/dbraw/zinc/99/46/23/1045994623.db2.gz JUENEEYKYJSMCQ-UHFFFAOYSA-N 1 0 339.479 4.109 20 10 EICDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1c2ccccc2-c2ccccc21 ZINC000769498023 1045995525 /nfs/dbraw/zinc/99/55/25/1045995525.db2.gz JPGLUXVPHWFVAN-UHFFFAOYSA-N 1 0 345.398 4.323 20 10 EICDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000769710828 1046050728 /nfs/dbraw/zinc/05/07/28/1046050728.db2.gz PMGSEUIDNSJRFG-UHFFFAOYSA-N 1 0 339.863 4.036 20 10 EICDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792806263 1046070326 /nfs/dbraw/zinc/07/03/26/1046070326.db2.gz RNNDXMBPVQBLDT-UHFFFAOYSA-N 1 0 343.418 4.168 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)OC(C)C ZINC000769932685 1046114085 /nfs/dbraw/zinc/11/40/85/1046114085.db2.gz IGWYNSRCHMILHU-LJQANCHMSA-N 1 0 349.858 4.310 20 10 EICDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793063144 1046133239 /nfs/dbraw/zinc/13/32/39/1046133239.db2.gz XVRZAVDEXFFIOX-ZDUSSCGKSA-N 1 0 337.389 4.359 20 10 EICDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075412 1046135054 /nfs/dbraw/zinc/13/50/54/1046135054.db2.gz COHCDSWHPJDVOP-CYBMUJFWSA-N 1 0 337.389 4.359 20 10 EICDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075387 1046135158 /nfs/dbraw/zinc/13/51/58/1046135158.db2.gz BTWIJIYXRMYBGZ-ZDUSSCGKSA-N 1 0 337.389 4.359 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000763416684 1046150793 /nfs/dbraw/zinc/15/07/93/1046150793.db2.gz YBQIEZWUAGZISL-JHVJFLLYSA-N 1 0 344.474 4.445 20 10 EICDRO C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1n1ccnc1 ZINC000770323857 1046180148 /nfs/dbraw/zinc/18/01/48/1046180148.db2.gz KUKLHUKFOCRINL-LAUBAEHRSA-N 1 0 347.462 4.339 20 10 EICDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232310 1046180175 /nfs/dbraw/zinc/18/01/75/1046180175.db2.gz VKVDNABUTOFPLE-YOEHRIQHSA-N 1 0 326.406 4.450 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1C ZINC000770324517 1046180618 /nfs/dbraw/zinc/18/06/18/1046180618.db2.gz GYJUEJWTWSVDRU-TZIWHRDSSA-N 1 0 343.442 4.236 20 10 EICDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793342299 1046201653 /nfs/dbraw/zinc/20/16/53/1046201653.db2.gz XKIBLDCVOOBAPS-UHFFFAOYSA-N 1 0 337.389 4.107 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000770667662 1046245575 /nfs/dbraw/zinc/24/55/75/1046245575.db2.gz SYKFREFUZKBZSK-QFIPXVFZSA-N 1 0 336.479 4.164 20 10 EICDRO CCCC[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000793591144 1046301125 /nfs/dbraw/zinc/30/11/25/1046301125.db2.gz FVZYEDLCSUVMEA-UHFFFAOYSA-N 1 0 327.472 4.282 20 10 EICDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000771891180 1046521156 /nfs/dbraw/zinc/52/11/56/1046521156.db2.gz ZBTAXGPQAGWCBF-CTNGQTDRSA-N 1 0 325.452 4.352 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c(O)c1 ZINC000771933511 1046525662 /nfs/dbraw/zinc/52/56/62/1046525662.db2.gz KRRONWHJHAUWKA-IBGZPJMESA-N 1 0 327.424 4.137 20 10 EICDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(C)ccc1O ZINC000771984545 1046541414 /nfs/dbraw/zinc/54/14/14/1046541414.db2.gz DFJXITDRIDOWMH-GOSISDBHSA-N 1 0 334.847 4.086 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000917074146 1046633858 /nfs/dbraw/zinc/63/38/58/1046633858.db2.gz QXLYFAXKOIADEN-UHFFFAOYSA-N 1 0 328.431 4.065 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(C)ccc1OC ZINC000772444959 1046638523 /nfs/dbraw/zinc/63/85/23/1046638523.db2.gz FWPDIBJPEQAFCJ-SFHVURJKSA-N 1 0 330.447 4.450 20 10 EICDRO C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(N(C)C)cc1 ZINC000785510663 1046712288 /nfs/dbraw/zinc/71/22/88/1046712288.db2.gz ASLSDXQUYDSONI-ZDUSSCGKSA-N 1 0 327.453 4.320 20 10 EICDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000786158492 1046813610 /nfs/dbraw/zinc/81/36/10/1046813610.db2.gz OELRRDOEXIMHKT-JOCHJYFZSA-N 1 0 347.458 4.061 20 10 EICDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000786585864 1046851117 /nfs/dbraw/zinc/85/11/17/1046851117.db2.gz YWVRJNCZPJNKBN-VQIMIIECSA-N 1 0 335.447 4.108 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1csc(Cl)c1 ZINC000786900896 1046878346 /nfs/dbraw/zinc/87/83/46/1046878346.db2.gz XJQDKRRTECDNQQ-CYBMUJFWSA-N 1 0 336.888 4.089 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21)CCCC3 ZINC000917472973 1046898407 /nfs/dbraw/zinc/89/84/07/1046898407.db2.gz LNUHRHQDCYPHCH-APWZRJJASA-N 1 0 341.451 4.161 20 10 EICDRO COc1ccc(OC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000917475681 1046900049 /nfs/dbraw/zinc/90/00/49/1046900049.db2.gz DANWNAZNYLAZDA-UHFFFAOYSA-N 1 0 341.451 4.061 20 10 EICDRO CC(C)CCOC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917465535 1046909115 /nfs/dbraw/zinc/90/91/15/1046909115.db2.gz LSMDWCVLNPSLAA-UHFFFAOYSA-N 1 0 349.515 4.422 20 10 EICDRO CCOc1c(Cl)cccc1CNc1cc(C[NH+](C)C)ccc1OC ZINC000787211850 1046952259 /nfs/dbraw/zinc/95/22/59/1046952259.db2.gz SJUUWUIDZMEIJC-UHFFFAOYSA-N 1 0 348.874 4.421 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331465 1046980049 /nfs/dbraw/zinc/98/00/49/1046980049.db2.gz JZBLVGKDILOWBC-SFHVURJKSA-N 1 0 349.858 4.264 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333635 1046981507 /nfs/dbraw/zinc/98/15/07/1046981507.db2.gz WYKCKRDJXYRNRS-SFHVURJKSA-N 1 0 349.858 4.264 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000746716174 1047073103 /nfs/dbraw/zinc/07/31/03/1047073103.db2.gz NCAVKDMQDIXSIB-MRXNPFEDSA-N 1 0 325.452 4.385 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000806172210 1047160616 /nfs/dbraw/zinc/16/06/16/1047160616.db2.gz HYBBWNYSGQAUCV-DQYPLSBCSA-N 1 0 346.421 4.111 20 10 EICDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175962 1047163894 /nfs/dbraw/zinc/16/38/94/1047163894.db2.gz GPUMFPSTDAMNBP-IFXJQAMLSA-N 1 0 332.875 4.180 20 10 EICDRO COc1ccc(OCCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788565220 1047224598 /nfs/dbraw/zinc/22/45/98/1047224598.db2.gz ZRJJIXDPDJWEHW-MRXNPFEDSA-N 1 0 329.440 4.137 20 10 EICDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593641 1047240723 /nfs/dbraw/zinc/24/07/23/1047240723.db2.gz HEVWHMDXGMMTQI-ZIAGYGMSSA-N 1 0 344.421 4.182 20 10 EICDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000788604286 1047245371 /nfs/dbraw/zinc/24/53/71/1047245371.db2.gz JPROVDGTBHQYHF-GOSISDBHSA-N 1 0 342.527 4.270 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788731942 1047293709 /nfs/dbraw/zinc/29/37/09/1047293709.db2.gz CMOQKORLIYLZIS-QGZVFWFLSA-N 1 0 335.451 4.354 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000788794823 1047303932 /nfs/dbraw/zinc/30/39/32/1047303932.db2.gz JKPJZYATAXLPBH-PXAZEXFGSA-N 1 0 337.822 4.186 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1 ZINC000806684077 1047346275 /nfs/dbraw/zinc/34/62/75/1047346275.db2.gz GKUDTFHNUBGERK-UHFFFAOYSA-N 1 0 345.899 4.348 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1O ZINC000789778125 1047473705 /nfs/dbraw/zinc/47/37/05/1047473705.db2.gz DMTJAAASSXFXPM-IEBWSBKVSA-N 1 0 333.859 4.202 20 10 EICDRO Cc1cc(Cl)cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1O ZINC000789775746 1047473791 /nfs/dbraw/zinc/47/37/91/1047473791.db2.gz AODFTUJCLZBVMW-QGZVFWFLSA-N 1 0 346.858 4.351 20 10 EICDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCCCO1 ZINC000918732337 1047624811 /nfs/dbraw/zinc/62/48/11/1047624811.db2.gz OBHNULYSGPCUCW-CQSZACIVSA-N 1 0 329.440 4.018 20 10 EICDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000757636042 1047812409 /nfs/dbraw/zinc/81/24/09/1047812409.db2.gz FAQCPIZNBNBDQU-NSHDSACASA-N 1 0 331.287 4.082 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178476 1047868673 /nfs/dbraw/zinc/86/86/73/1047868673.db2.gz QWYQHKIONYIQSD-OAQYLSRUSA-N 1 0 337.463 4.308 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1O ZINC000824468906 1047877376 /nfs/dbraw/zinc/87/73/76/1047877376.db2.gz RTNMDGNUGIEFBE-MRXNPFEDSA-N 1 0 335.806 4.361 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)c1O ZINC000824714670 1047908426 /nfs/dbraw/zinc/90/84/26/1047908426.db2.gz DUOKIRRTYZIWHC-MWLCHTKSSA-N 1 0 337.769 4.217 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000824714665 1047910103 /nfs/dbraw/zinc/91/01/03/1047910103.db2.gz DUOKIRRTYZIWHC-GXSJLCMTSA-N 1 0 337.769 4.217 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CC2=CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000808430559 1047946095 /nfs/dbraw/zinc/94/60/95/1047946095.db2.gz RETKSXCWJBYYDI-UHFFFAOYSA-N 1 0 331.500 4.424 20 10 EICDRO COCC[C@@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000824959185 1048004685 /nfs/dbraw/zinc/00/46/85/1048004685.db2.gz BYLHGSOGKCYCCV-MRXNPFEDSA-N 1 0 339.357 4.278 20 10 EICDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)c(C)c1 ZINC001136975710 1048009242 /nfs/dbraw/zinc/00/92/42/1048009242.db2.gz OUAUZTKOSIRLHE-UHFFFAOYSA-N 1 0 349.478 4.116 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)ccc1OC ZINC000824971343 1048012047 /nfs/dbraw/zinc/01/20/47/1048012047.db2.gz QXHFCNFGENWCDB-INIZCTEOSA-N 1 0 346.298 4.295 20 10 EICDRO Cc1ccc(NCc2ccc(Br)cc2O)c(C[NH+](C)C)c1 ZINC000825020370 1048019063 /nfs/dbraw/zinc/01/90/63/1048019063.db2.gz XAKCEFBMILGEGG-UHFFFAOYSA-N 1 0 349.272 4.137 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017097 1048019822 /nfs/dbraw/zinc/01/98/22/1048019822.db2.gz LLPMJEOAQGTFMZ-SWHYSGLUSA-N 1 0 339.361 4.354 20 10 EICDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000808681080 1048033494 /nfs/dbraw/zinc/03/34/94/1048033494.db2.gz WDJREYVMYGTDQO-HZPDHXFCSA-N 1 0 336.495 4.091 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1O ZINC000825084666 1048034179 /nfs/dbraw/zinc/03/41/79/1048034179.db2.gz GWQKIEHJILKRIZ-HUUCEWRRSA-N 1 0 337.872 4.425 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808693586 1048038341 /nfs/dbraw/zinc/03/83/41/1048038341.db2.gz IWOLLVPUYANMPQ-CYBMUJFWSA-N 1 0 334.847 4.389 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC000808674522 1048046788 /nfs/dbraw/zinc/04/67/88/1048046788.db2.gz UMNRLRXQUPHBQC-LRDDRELGSA-N 1 0 338.904 4.369 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000808678757 1048050344 /nfs/dbraw/zinc/05/03/44/1048050344.db2.gz XFAOGIFZHKAXDW-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1noc(C2CCC([NH2+][C@H](C)c3cc(Cl)cc(C)c3O)CC2)n1 ZINC000808706475 1048053415 /nfs/dbraw/zinc/05/34/15/1048053415.db2.gz KYPFVTDABPUHSX-NUYPLMSZSA-N 1 0 349.862 4.422 20 10 EICDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)c1cccc(F)c1 ZINC000825287791 1048062105 /nfs/dbraw/zinc/06/21/05/1048062105.db2.gz MGTFXMOQKBYARE-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000808715512 1048062333 /nfs/dbraw/zinc/06/23/33/1048062333.db2.gz VBOZYUWSQVTJHW-CYBMUJFWSA-N 1 0 333.859 4.432 20 10 EICDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)nc12 ZINC000808699943 1048080648 /nfs/dbraw/zinc/08/06/48/1048080648.db2.gz FMCUHVRNYDVTFC-CQSZACIVSA-N 1 0 343.858 4.203 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000808697852 1048080963 /nfs/dbraw/zinc/08/09/63/1048080963.db2.gz XJFMRPPKPBXOCF-GDBMZVCRSA-N 1 0 333.859 4.171 20 10 EICDRO COc1cc(C[N@H+](C)[C@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501932 1048103934 /nfs/dbraw/zinc/10/39/34/1048103934.db2.gz SPXWLPFYOHWVHR-CQSZACIVSA-N 1 0 328.456 4.286 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815061000 1048314805 /nfs/dbraw/zinc/31/48/05/1048314805.db2.gz XNPYADFBPWPQPM-PKOBYXMFSA-N 1 0 344.524 4.211 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000815114880 1048330962 /nfs/dbraw/zinc/33/09/62/1048330962.db2.gz VKIRCAIZVRZNGK-CVEARBPZSA-N 1 0 327.299 4.158 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000815124336 1048339915 /nfs/dbraw/zinc/33/99/15/1048339915.db2.gz TVGICICTPMTKFM-OAQYLSRUSA-N 1 0 338.495 4.136 20 10 EICDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094394 1048342637 /nfs/dbraw/zinc/34/26/37/1048342637.db2.gz KQUGVWLILWYUOU-IBGZPJMESA-N 1 0 328.456 4.138 20 10 EICDRO COc1cc(C[N@H+](C)Cc2c(O)ccc3ccccc32)cc(OC)c1 ZINC000919957508 1048342739 /nfs/dbraw/zinc/34/27/39/1048342739.db2.gz RTLNCIYAYPYVSP-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000815106267 1048350490 /nfs/dbraw/zinc/35/04/90/1048350490.db2.gz RMDLKFWGYOBVRN-NJYVYQBISA-N 1 0 330.516 4.048 20 10 EICDRO COc1cc(CC[NH2+]Cc2cc(Cl)ccc2O)ccc1Cl ZINC000815163302 1048356849 /nfs/dbraw/zinc/35/68/49/1048356849.db2.gz NJMGOODGUOHIRS-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cc1C ZINC000815143361 1048366673 /nfs/dbraw/zinc/36/66/73/1048366673.db2.gz IYAYJJKBLHJPCM-UHFFFAOYSA-N 1 0 343.442 4.030 20 10 EICDRO COCC1=CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809642197 1048451177 /nfs/dbraw/zinc/45/11/77/1048451177.db2.gz DLWPTVZSBQDPIA-UHFFFAOYSA-N 1 0 348.490 4.028 20 10 EICDRO Cc1cccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1O ZINC000809736698 1048485381 /nfs/dbraw/zinc/48/53/81/1048485381.db2.gz GNZDFKKMHDUUPH-UHFFFAOYSA-N 1 0 332.447 4.341 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000844745273 1048485891 /nfs/dbraw/zinc/48/58/91/1048485891.db2.gz AJTBEYHHBPMKTQ-SFHVURJKSA-N 1 0 339.426 4.320 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccccc1C1CC1 ZINC000809713634 1048491785 /nfs/dbraw/zinc/49/17/85/1048491785.db2.gz VUXBXBGKDHPORK-UHFFFAOYSA-N 1 0 332.241 4.322 20 10 EICDRO COCC(C)(C)CCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000809769211 1048502910 /nfs/dbraw/zinc/50/29/10/1048502910.db2.gz CHGXHXNQECMZKN-UHFFFAOYSA-N 1 0 344.293 4.006 20 10 EICDRO OCc1ccccc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815564228 1048509800 /nfs/dbraw/zinc/50/98/00/1048509800.db2.gz BXEILRIUQZJUQI-QFIPXVFZSA-N 1 0 347.458 4.348 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)c1O ZINC000809740203 1048511746 /nfs/dbraw/zinc/51/17/46/1048511746.db2.gz OXIFDZLZZRJJMD-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO COc1cccc(C[NH2+]Cc2csc(-c3ccc(C)cc3)n2)c1O ZINC000809740360 1048512030 /nfs/dbraw/zinc/51/20/30/1048512030.db2.gz VLLYATPUGNNESF-UHFFFAOYSA-N 1 0 340.448 4.123 20 10 EICDRO CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1c(O)cccc1OC ZINC000809747445 1048515883 /nfs/dbraw/zinc/51/58/83/1048515883.db2.gz AUDKABDYAPJHFP-UHFFFAOYSA-N 1 0 348.446 4.485 20 10 EICDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000809753026 1048516430 /nfs/dbraw/zinc/51/64/30/1048516430.db2.gz LXQMXGDYPNKGCX-UHFFFAOYSA-N 1 0 335.451 4.141 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809754666 1048516589 /nfs/dbraw/zinc/51/65/89/1048516589.db2.gz LZFPVRPAEGXTEC-MRXNPFEDSA-N 1 0 344.213 4.051 20 10 EICDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000809753277 1048517134 /nfs/dbraw/zinc/51/71/34/1048517134.db2.gz OWGLGYONKNWBFM-UHFFFAOYSA-N 1 0 349.478 4.450 20 10 EICDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815584136 1048523003 /nfs/dbraw/zinc/52/30/03/1048523003.db2.gz WIVSUKPZZNYYIE-CVEARBPZSA-N 1 0 329.440 4.136 20 10 EICDRO CC[C@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815587793 1048525474 /nfs/dbraw/zinc/52/54/74/1048525474.db2.gz TXRKWCSKPPDCHK-YLJYHZDGSA-N 1 0 327.468 4.064 20 10 EICDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595067 1048528993 /nfs/dbraw/zinc/52/89/93/1048528993.db2.gz GUTKWTAYITWJIS-YLJYHZDGSA-N 1 0 341.495 4.453 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000815598664 1048532121 /nfs/dbraw/zinc/53/21/21/1048532121.db2.gz ZTMWVFLZCRLCRL-MJGOQNOKSA-N 1 0 341.495 4.462 20 10 EICDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815601017 1048532851 /nfs/dbraw/zinc/53/28/51/1048532851.db2.gz LMNNAPRCWZHPFD-CZTZKLFOSA-N 1 0 339.479 4.471 20 10 EICDRO CC(C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815572237 1048535338 /nfs/dbraw/zinc/53/53/38/1048535338.db2.gz XVVJVFJRVUGURV-UYAOXDASSA-N 1 0 327.468 4.063 20 10 EICDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815572929 1048537083 /nfs/dbraw/zinc/53/70/83/1048537083.db2.gz SGGYFDKSLWKSBP-INIZCTEOSA-N 1 0 325.452 4.400 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(O)c1 ZINC000815614581 1048540346 /nfs/dbraw/zinc/54/03/46/1048540346.db2.gz VJGGNLJPOZQRTM-OAHLLOKOSA-N 1 0 328.456 4.432 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000844922295 1048548705 /nfs/dbraw/zinc/54/87/05/1048548705.db2.gz AOCASOQUEFFNSS-VIFPVBQESA-N 1 0 343.229 4.148 20 10 EICDRO COCC1(CC[NH2+][C@H](C)c2cc(Br)ccc2O)CCC1 ZINC000815642873 1048567890 /nfs/dbraw/zinc/56/78/90/1048567890.db2.gz NSYGZVIJDGQVPM-GFCCVEGCSA-N 1 0 342.277 4.012 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)N(C)C)cc1 ZINC000815660185 1048560653 /nfs/dbraw/zinc/56/06/53/1048560653.db2.gz UBDWRWWSTMKXOJ-DNVCBOLYSA-N 1 0 344.524 4.376 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)c1ccccc1O ZINC000815660428 1048561232 /nfs/dbraw/zinc/56/12/32/1048561232.db2.gz ZARBVQJKIMXGNP-RTBURBONSA-N 1 0 344.524 4.458 20 10 EICDRO COC1(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000815642198 1048566843 /nfs/dbraw/zinc/56/68/43/1048566843.db2.gz VHFRGEUOTLFBEN-GFCCVEGCSA-N 1 0 342.277 4.073 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O ZINC000815643279 1048567836 /nfs/dbraw/zinc/56/78/36/1048567836.db2.gz YKJZTUMQLIGSPN-HZMBPMFUSA-N 1 0 340.345 4.314 20 10 EICDRO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cc(Cl)ccc1O ZINC000815644498 1048568089 /nfs/dbraw/zinc/56/80/89/1048568089.db2.gz CYGOSMQWIJRSAX-SNVBAGLBSA-N 1 0 344.764 4.353 20 10 EICDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2O)cc1 ZINC000810171744 1048653948 /nfs/dbraw/zinc/65/39/48/1048653948.db2.gz SBBUOYIEVKKNSR-OAQYLSRUSA-N 1 0 333.431 4.474 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000810153144 1048660158 /nfs/dbraw/zinc/66/01/58/1048660158.db2.gz PCSVNIAZCDUDAI-GFCCVEGCSA-N 1 0 338.373 4.328 20 10 EICDRO FC(F)(F)c1cccc(CCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000920415453 1048668480 /nfs/dbraw/zinc/66/84/80/1048668480.db2.gz WXTLJIOXZRRYJB-UHFFFAOYSA-N 1 0 335.369 4.363 20 10 EICDRO Cc1cc(C(C)(C)[NH2+]Cc2ccccc2O)ccc1Br ZINC000810181934 1048672639 /nfs/dbraw/zinc/67/26/39/1048672639.db2.gz XIBQHJNPUHBATL-UHFFFAOYSA-N 1 0 334.257 4.488 20 10 EICDRO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220932 1048687647 /nfs/dbraw/zinc/68/76/47/1048687647.db2.gz HIRNMLIBQYNOEF-DOMZBBRYSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C(F)(F)F)cc1O ZINC000810223959 1048691946 /nfs/dbraw/zinc/69/19/46/1048691946.db2.gz PLWDRNUOHWRVFB-CQSZACIVSA-N 1 0 328.309 4.186 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810227772 1048695837 /nfs/dbraw/zinc/69/58/37/1048695837.db2.gz JBFVQMRVQIDGMG-BONVTDFDSA-N 1 0 341.377 4.114 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228047 1048696095 /nfs/dbraw/zinc/69/60/95/1048696095.db2.gz QHKLNYCPIJUIRP-JSGCOSHPSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810227774 1048696418 /nfs/dbraw/zinc/69/64/18/1048696418.db2.gz JBFVQMRVQIDGMG-ZUZCIYMTSA-N 1 0 341.377 4.114 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810232337 1048699657 /nfs/dbraw/zinc/69/96/57/1048699657.db2.gz YHHFNUMJUPUVMQ-ZYHUDNBSSA-N 1 0 345.283 4.029 20 10 EICDRO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(C(F)(F)F)cc1O ZINC000810210651 1048708685 /nfs/dbraw/zinc/70/86/85/1048708685.db2.gz AWIXUCCPPHCENH-HNNXBMFYSA-N 1 0 341.377 4.129 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810239761 1048721878 /nfs/dbraw/zinc/72/18/78/1048721878.db2.gz ZHFYVXYIYDUCSP-HIFRSBDPSA-N 1 0 333.394 4.247 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810240829 1048724393 /nfs/dbraw/zinc/72/43/93/1048724393.db2.gz GRLZYIFLNRHCQO-XUJVJEKNSA-N 1 0 331.378 4.124 20 10 EICDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc2ccccc2c1O ZINC000810245639 1048725977 /nfs/dbraw/zinc/72/59/77/1048725977.db2.gz FGLSGGLQTDEJTM-YTJPUZGESA-N 1 0 347.458 4.362 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000845971744 1048768809 /nfs/dbraw/zinc/76/88/09/1048768809.db2.gz CIIYNEJTICBZKV-CQSZACIVSA-N 1 0 341.451 4.355 20 10 EICDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000920811437 1048790552 /nfs/dbraw/zinc/79/05/52/1048790552.db2.gz IEHDFZLUVSZEIK-SFHVURJKSA-N 1 0 337.427 4.318 20 10 EICDRO FC(F)(F)c1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000846108123 1048814278 /nfs/dbraw/zinc/81/42/78/1048814278.db2.gz VNOCMAWKNGHHAA-UHFFFAOYSA-N 1 0 333.353 4.419 20 10 EICDRO Oc1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc2ccccc21 ZINC000816520375 1048820111 /nfs/dbraw/zinc/82/01/11/1048820111.db2.gz NSDCZPNYXUPWNL-HKUYNNGSSA-N 1 0 337.419 4.227 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502072 1048821891 /nfs/dbraw/zinc/82/18/91/1048821891.db2.gz MQRKUYZMPUUMMX-HXUWFJFHSA-N 1 0 337.394 4.258 20 10 EICDRO CC[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000846105434 1048822917 /nfs/dbraw/zinc/82/29/17/1048822917.db2.gz VCRRMWRMIDFNKB-AWEZNQCLSA-N 1 0 331.378 4.004 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)c1O ZINC000846149518 1048823209 /nfs/dbraw/zinc/82/32/09/1048823209.db2.gz ZSMNIACGBBFXRO-DLBZAZTESA-N 1 0 340.467 4.029 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000846149540 1048823616 /nfs/dbraw/zinc/82/36/16/1048823616.db2.gz ILRRSEAPHSOCHP-RHSMWYFYSA-N 1 0 339.435 4.498 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)c1O ZINC000846149519 1048823758 /nfs/dbraw/zinc/82/37/58/1048823758.db2.gz ZSMNIACGBBFXRO-IAGOWNOFSA-N 1 0 340.467 4.029 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000846149541 1048823824 /nfs/dbraw/zinc/82/38/24/1048823824.db2.gz ILRRSEAPHSOCHP-WMLDXEAASA-N 1 0 339.435 4.498 20 10 EICDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc2ccccc2c1O ZINC000816516507 1048824668 /nfs/dbraw/zinc/82/46/68/1048824668.db2.gz HRNVCSRZPATROF-UHFFFAOYSA-N 1 0 326.465 4.455 20 10 EICDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816516011 1048824803 /nfs/dbraw/zinc/82/48/03/1048824803.db2.gz SCCVUTAJUPMCPK-HXUWFJFHSA-N 1 0 335.447 4.319 20 10 EICDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000816530649 1048825587 /nfs/dbraw/zinc/82/55/87/1048825587.db2.gz PNJBCMZKJRFXAQ-UHFFFAOYSA-N 1 0 348.849 4.070 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(-n3ccnc3)cc2)ccc2ccccc21 ZINC000816544752 1048827059 /nfs/dbraw/zinc/82/70/59/1048827059.db2.gz SABGTWXALZZSCH-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO Oc1c(C[NH2+]CCc2ccc3ccccc3n2)ccc2ccccc21 ZINC000816544636 1048828334 /nfs/dbraw/zinc/82/83/34/1048828334.db2.gz NWGNLORDRMBABB-UHFFFAOYSA-N 1 0 328.415 4.426 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1O ZINC000846136680 1048828984 /nfs/dbraw/zinc/82/89/84/1048828984.db2.gz NAPQRVWAQUTDDC-NWDGAFQWSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1O ZINC000846140208 1048830593 /nfs/dbraw/zinc/83/05/93/1048830593.db2.gz JJEOWPGIACXTOF-JTQLQIEISA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846141173 1048830754 /nfs/dbraw/zinc/83/07/54/1048830754.db2.gz FNMKCXOULFYEGP-CABCVRRESA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCSCc2ccccc2F)c1O ZINC000846138153 1048831010 /nfs/dbraw/zinc/83/10/10/1048831010.db2.gz UAFNDNLNMHKUQR-CYBMUJFWSA-N 1 0 335.444 4.124 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1O ZINC000846142530 1048832049 /nfs/dbraw/zinc/83/20/49/1048832049.db2.gz VCUQSZOYMJROBX-LBPRGKRZSA-N 1 0 344.842 4.429 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207924 1048833097 /nfs/dbraw/zinc/83/30/97/1048833097.db2.gz VGLMVADQEVWSOR-QFBILLFUSA-N 1 0 335.451 4.069 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145839 1048833204 /nfs/dbraw/zinc/83/32/04/1048833204.db2.gz QPFUJRAWQQNJMZ-ACJLOTCBSA-N 1 0 339.439 4.325 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1O ZINC000816627375 1048838945 /nfs/dbraw/zinc/83/89/45/1048838945.db2.gz MGKBXMFUDBCUGH-UHFFFAOYSA-N 1 0 344.764 4.100 20 10 EICDRO CCOc1cccc(Cl)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845182 1048923086 /nfs/dbraw/zinc/92/30/86/1048923086.db2.gz UQKWCSWCMRKTSO-LBPRGKRZSA-N 1 0 335.831 4.304 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817412132 1048962553 /nfs/dbraw/zinc/96/25/53/1048962553.db2.gz DKJYTATVBKJWLX-JTQLQIEISA-N 1 0 337.769 4.219 20 10 EICDRO O=C(c1cc(Cl)ccc1NC1=CCC[NH2+]C1)c1c(F)cccc1F ZINC001159645894 1048967050 /nfs/dbraw/zinc/96/70/50/1048967050.db2.gz KNTNNQQGOZSRJG-UHFFFAOYSA-N 1 0 348.780 4.138 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1O ZINC000817586786 1049018925 /nfs/dbraw/zinc/01/89/25/1049018925.db2.gz SGXIZZYSARZBBU-GUTXKFCHSA-N 1 0 342.277 4.153 20 10 EICDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943849 1049061663 /nfs/dbraw/zinc/06/16/63/1049061663.db2.gz VZVHTEAJGJNTSP-JEBQAFNWSA-N 1 0 329.513 4.042 20 10 EICDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939947 1049062634 /nfs/dbraw/zinc/06/26/34/1049062634.db2.gz DLJKWOWCCUKLSL-KBXCAEBGSA-N 1 0 339.508 4.318 20 10 EICDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(N)cc2)cnn1-c1cc(C)ccc1C ZINC000817956065 1049065959 /nfs/dbraw/zinc/06/59/59/1049065959.db2.gz PTFRGJWRAFKOKQ-QGZVFWFLSA-N 1 0 348.494 4.273 20 10 EICDRO CCCCOc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817956398 1049066635 /nfs/dbraw/zinc/06/66/35/1049066635.db2.gz YGFJIUHKEYKAEA-INIZCTEOSA-N 1 0 342.483 4.350 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(Br)c1 ZINC000817956097 1049067798 /nfs/dbraw/zinc/06/77/98/1049067798.db2.gz QPXYJYWYTGFHSV-NSHDSACASA-N 1 0 337.236 4.064 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964423 1049068695 /nfs/dbraw/zinc/06/86/95/1049068695.db2.gz CECZZWZZKHTCNU-ZDUSSCGKSA-N 1 0 331.287 4.129 20 10 EICDRO Clc1nccc(C[NH2+]CCCSc2nccs2)c1Cl ZINC000811482458 1049076212 /nfs/dbraw/zinc/07/62/12/1049076212.db2.gz XPYWCYBYTRHHAU-UHFFFAOYSA-N 1 0 334.297 4.117 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984803 1049078752 /nfs/dbraw/zinc/07/87/52/1049078752.db2.gz AFZXUDOJUNIDAW-SMDDNHRTSA-N 1 0 343.298 4.414 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818220616 1049111191 /nfs/dbraw/zinc/11/11/91/1049111191.db2.gz HNMFBLBNWRAVCO-IAGOWNOFSA-N 1 0 342.458 4.054 20 10 EICDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC(C)CC4)cc3)C[C@H]2C1 ZINC000818330569 1049132978 /nfs/dbraw/zinc/13/29/78/1049132978.db2.gz ABEUOQZJNMAFQS-QJWCVOLQSA-N 1 0 342.527 4.216 20 10 EICDRO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818343380 1049135009 /nfs/dbraw/zinc/13/50/09/1049135009.db2.gz AOYFECSFGAVENM-DLBZAZTESA-N 1 0 344.524 4.194 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(F)c3F)C2)cc1 ZINC000818342153 1049136421 /nfs/dbraw/zinc/13/64/21/1049136421.db2.gz MOWKLUIFKQPVQC-LSDHHAIUSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4sccc43)C2)cc1 ZINC000818344350 1049137550 /nfs/dbraw/zinc/13/75/50/1049137550.db2.gz LYUKLFLITSXYKT-HNAYVOBHSA-N 1 0 342.508 4.250 20 10 EICDRO CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818343383 1049138945 /nfs/dbraw/zinc/13/89/45/1049138945.db2.gz AOYFECSFGAVENM-SJORKVTESA-N 1 0 344.524 4.194 20 10 EICDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781162 1049263305 /nfs/dbraw/zinc/26/33/05/1049263305.db2.gz ZFQIASWOEGPDNC-HKUYNNGSSA-N 1 0 347.499 4.088 20 10 EICDRO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781238 1049263869 /nfs/dbraw/zinc/26/38/69/1049263869.db2.gz WHNICVSTESEVCF-LBPRGKRZSA-N 1 0 327.415 4.175 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773012559 1049524417 /nfs/dbraw/zinc/52/44/17/1049524417.db2.gz MCIPQXFOJFTKHY-RTBURBONSA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773012544 1049524716 /nfs/dbraw/zinc/52/47/16/1049524716.db2.gz MCIPQXFOJFTKHY-MOPGFXCFSA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773012549 1049524730 /nfs/dbraw/zinc/52/47/30/1049524730.db2.gz MCIPQXFOJFTKHY-OALUTQOASA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000812735719 1049555136 /nfs/dbraw/zinc/55/51/36/1049555136.db2.gz FQZBKFNZVDFRMB-APWZRJJASA-N 1 0 342.458 4.407 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000812735651 1049555177 /nfs/dbraw/zinc/55/51/77/1049555177.db2.gz DVSFTBJNCZLYOL-SJORKVTESA-N 1 0 342.458 4.325 20 10 EICDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000812735219 1049556706 /nfs/dbraw/zinc/55/67/06/1049556706.db2.gz XTZOBYZDXBTUMI-FOIQADDNSA-N 1 0 334.479 4.282 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(N2CCCCC2)cc1 ZINC000812736785 1049556808 /nfs/dbraw/zinc/55/68/08/1049556808.db2.gz CUTJVHKSSAIDHX-QGZVFWFLSA-N 1 0 348.494 4.414 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000820846550 1049567829 /nfs/dbraw/zinc/56/78/29/1049567829.db2.gz HUCXLBYEORKINW-QMMMGPOBSA-N 1 0 348.727 4.449 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H]1CCCO1 ZINC000773107568 1049587122 /nfs/dbraw/zinc/58/71/22/1049587122.db2.gz XRURKNAPIRHDBG-MOXGXCLJSA-N 1 0 334.479 4.424 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(N(C)C)cc1 ZINC000773133971 1049596233 /nfs/dbraw/zinc/59/62/33/1049596233.db2.gz IFTOOCNNLWSODR-XWTMOSNGSA-N 1 0 336.570 4.173 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000773133099 1049597450 /nfs/dbraw/zinc/59/74/50/1049597450.db2.gz QEUAEBAWGIRCQG-HNNXBMFYSA-N 1 0 327.472 4.176 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831758 1049658818 /nfs/dbraw/zinc/65/88/18/1049658818.db2.gz SHNYJGVTHRTCHH-IRXDYDNUSA-N 1 0 331.500 4.247 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000179534674 1049664165 /nfs/dbraw/zinc/66/41/65/1049664165.db2.gz KKHVJWHAKZJDNZ-CYBMUJFWSA-N 1 0 345.414 4.372 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)Cc2cccc(F)c2)cc1 ZINC001171426458 1049667685 /nfs/dbraw/zinc/66/76/85/1049667685.db2.gz MJGJCHQIOUWLEC-OAQYLSRUSA-N 1 0 326.459 4.489 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC)c2OC(C)C)c1 ZINC000813330665 1049753239 /nfs/dbraw/zinc/75/32/39/1049753239.db2.gz CFJJHLCHGXIMFV-CQSZACIVSA-N 1 0 345.439 4.047 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822529786 1049769196 /nfs/dbraw/zinc/76/91/96/1049769196.db2.gz JGNHKDVSERMQPB-GUWAZMKPSA-N 1 0 340.511 4.047 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000179902020 1049787085 /nfs/dbraw/zinc/78/70/85/1049787085.db2.gz ZTAFPDQQAJRLFR-MGPLVRAMSA-N 1 0 326.223 4.083 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001171777825 1049796868 /nfs/dbraw/zinc/79/68/68/1049796868.db2.gz GOVYRDZQKFRFFP-UHFFFAOYSA-N 1 0 342.527 4.316 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2O)CN1Cc1ccccc1 ZINC001171735487 1049800020 /nfs/dbraw/zinc/80/00/20/1049800020.db2.gz WZCJQECQFZMISA-VGSWGCGISA-N 1 0 346.474 4.298 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963664 1049815347 /nfs/dbraw/zinc/81/53/47/1049815347.db2.gz VHXXNSMFWWZJSV-LIRRHRJNSA-N 1 0 328.431 4.456 20 10 EICDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2cccc(O)c2C1 ZINC001171966098 1049826804 /nfs/dbraw/zinc/82/68/04/1049826804.db2.gz NVMUZMRHGLAFDV-ZDUSSCGKSA-N 1 0 335.369 4.400 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000216679762 1049828694 /nfs/dbraw/zinc/82/86/94/1049828694.db2.gz HNHFXQAYOQHLPM-OAQYLSRUSA-N 1 0 337.394 4.258 20 10 EICDRO CCOC(=O)C1(C)CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001171941397 1049831003 /nfs/dbraw/zinc/83/10/03/1049831003.db2.gz QFDQAHRYUYPZAV-UHFFFAOYSA-N 1 0 341.451 4.147 20 10 EICDRO Cc1cccc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000823659456 1049867049 /nfs/dbraw/zinc/86/70/49/1049867049.db2.gz BUMFHHVPUUHMCA-UHFFFAOYSA-N 1 0 337.492 4.378 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 ZINC000823671254 1049868195 /nfs/dbraw/zinc/86/81/95/1049868195.db2.gz KQOSDOXQAVIKCY-ZIAGYGMSSA-N 1 0 348.487 4.099 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1OC ZINC000180271895 1049870700 /nfs/dbraw/zinc/87/07/00/1049870700.db2.gz NZVXXCXKHIAXQP-OAHLLOKOSA-N 1 0 331.412 4.120 20 10 EICDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1O ZINC001173084449 1050296918 /nfs/dbraw/zinc/29/69/18/1050296918.db2.gz BPXZQPBCJNWUIJ-ZDUSSCGKSA-N 1 0 339.357 4.354 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H](C)c2cccc(C)c2)cc1Cn1cccn1 ZINC001177897115 1050322682 /nfs/dbraw/zinc/32/26/82/1050322682.db2.gz GIJDWAWUXUZVFG-GOSISDBHSA-N 1 0 349.478 4.142 20 10 EICDRO Oc1ccc(Br)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC001203645728 1050416281 /nfs/dbraw/zinc/41/62/81/1050416281.db2.gz NWCRDXFOFRJFIU-UHFFFAOYSA-N 1 0 332.241 4.319 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756266 1050504817 /nfs/dbraw/zinc/50/48/17/1050504817.db2.gz VFEYFBXBPMHGHT-VOIUYBSRSA-N 1 0 344.524 4.073 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1O ZINC000775129448 1050573414 /nfs/dbraw/zinc/57/34/14/1050573414.db2.gz FXSVOSWFQJGIBZ-LBPRGKRZSA-N 1 0 333.815 4.058 20 10 EICDRO CCCN(Cc1cnc(-c2ccncc2)s1)c1ccc(C[NH3+])cc1 ZINC000775139398 1050600769 /nfs/dbraw/zinc/60/07/69/1050600769.db2.gz AEELMVAXURKPHC-UHFFFAOYSA-N 1 0 338.480 4.080 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4ccccc4c3)C2)cc1 ZINC001179003318 1050607325 /nfs/dbraw/zinc/60/73/25/1050607325.db2.gz YFCUNQRQIVHBOC-LJQANCHMSA-N 1 0 346.474 4.465 20 10 EICDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1C ZINC001179015505 1050610046 /nfs/dbraw/zinc/61/00/46/1050610046.db2.gz CQLIBLDYUDGDLJ-UHFFFAOYSA-N 1 0 343.902 4.321 20 10 EICDRO Brc1cc(C[NH2+]C2CC=CC2)ccc1N1CCCCC1 ZINC001179090387 1050629553 /nfs/dbraw/zinc/62/95/53/1050629553.db2.gz BFQFPFKTKDTAKX-UHFFFAOYSA-N 1 0 335.289 4.248 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCCOC(C)(C)C)c(C(F)(F)F)c1 ZINC001179094782 1050633276 /nfs/dbraw/zinc/63/32/76/1050633276.db2.gz CGULBGCXFAQPNP-UHFFFAOYSA-N 1 0 332.410 4.066 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000182382676 1050637073 /nfs/dbraw/zinc/63/70/73/1050637073.db2.gz FBVAALKNUNPPRM-HNNXBMFYSA-N 1 0 341.451 4.379 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3C)C2)cc1 ZINC001179128588 1050637681 /nfs/dbraw/zinc/63/76/81/1050637681.db2.gz ANEWSFPTWDJFSZ-KRWDZBQOSA-N 1 0 330.859 4.026 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000773809342 1050659150 /nfs/dbraw/zinc/65/91/50/1050659150.db2.gz BLBZNBVRJLOCBD-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000763532921 1050729567 /nfs/dbraw/zinc/72/95/67/1050729567.db2.gz XKQUSVPARSLPDR-ICSRJNTNSA-N 1 0 330.516 4.360 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001179874466 1050812956 /nfs/dbraw/zinc/81/29/56/1050812956.db2.gz ZVPIADRJLUFQNY-QFBILLFUSA-N 1 0 325.452 4.335 20 10 EICDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117232 1050889513 /nfs/dbraw/zinc/88/95/13/1050889513.db2.gz UXMSUHYNOBRSRD-HNNXBMFYSA-N 1 0 335.806 4.010 20 10 EICDRO CCC[N@H+](Cc1ccnn1CCc1ccccc1)Cc1ccccc1O ZINC001180188844 1050897299 /nfs/dbraw/zinc/89/72/99/1050897299.db2.gz JMKIAJRUONWUTC-UHFFFAOYSA-N 1 0 349.478 4.244 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC001180942596 1051119489 /nfs/dbraw/zinc/11/94/89/1051119489.db2.gz JQQFRONYPXVXLS-UZLBHIALSA-N 1 0 326.484 4.044 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C2(Cc3ccccc3)CC2)c1O ZINC001180970160 1051124514 /nfs/dbraw/zinc/12/45/14/1051124514.db2.gz OXYMSURIRKKBQF-UHFFFAOYSA-N 1 0 346.268 4.328 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccc(N(C)C)cc1 ZINC000775361715 1051128641 /nfs/dbraw/zinc/12/86/41/1051128641.db2.gz FHVWYMUVEZADRU-CQSZACIVSA-N 1 0 338.480 4.122 20 10 EICDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2O)ccn1 ZINC000183506493 1051137097 /nfs/dbraw/zinc/13/70/97/1051137097.db2.gz NFTOFERPBOKGCB-HZPDHXFCSA-N 1 0 328.456 4.451 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2cccc(Cl)c2)c1 ZINC000775371918 1051142272 /nfs/dbraw/zinc/14/22/72/1051142272.db2.gz VHGQTWAHGPYSGB-CYBMUJFWSA-N 1 0 335.831 4.174 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC000775371485 1051150619 /nfs/dbraw/zinc/15/06/19/1051150619.db2.gz PWDHIEXKXLQJMS-ZDUSSCGKSA-N 1 0 340.448 4.375 20 10 EICDRO CC[NH+](CC)C1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001190392801 1051166751 /nfs/dbraw/zinc/16/67/51/1051166751.db2.gz UJBPMZSPLLMFAO-UHFFFAOYSA-N 1 0 343.559 4.292 20 10 EICDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)n(-c2ccccc2)n1 ZINC000183624332 1051183730 /nfs/dbraw/zinc/18/37/30/1051183730.db2.gz XCAPKCWZEDXPKY-DOTOQJQBSA-N 1 0 335.451 4.168 20 10 EICDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)n(-c2ccccc2)n1 ZINC000183623823 1051184910 /nfs/dbraw/zinc/18/49/10/1051184910.db2.gz XCAPKCWZEDXPKY-RDJZCZTQSA-N 1 0 335.451 4.168 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]CCCc1ccccc1F ZINC001181382497 1051215249 /nfs/dbraw/zinc/21/52/49/1051215249.db2.gz HCCXCAXVMJBZIU-UHFFFAOYSA-N 1 0 338.220 4.016 20 10 EICDRO CCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)c1ccccc1 ZINC001181419199 1051220088 /nfs/dbraw/zinc/22/00/88/1051220088.db2.gz WCEOWXOWGMLRDK-MJGOQNOKSA-N 1 0 333.859 4.346 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001181410192 1051225460 /nfs/dbraw/zinc/22/54/60/1051225460.db2.gz JMQRZAZOHVWENC-OAQYLSRUSA-N 1 0 340.511 4.189 20 10 EICDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000773426745 1051250902 /nfs/dbraw/zinc/25/09/02/1051250902.db2.gz GWONVQPTFWDXRI-UHFFFAOYSA-N 1 0 346.515 4.279 20 10 EICDRO CCC1(C)CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC001190682146 1051255676 /nfs/dbraw/zinc/25/56/76/1051255676.db2.gz DSIWADXPSTYBMH-UHFFFAOYSA-N 1 0 330.516 4.314 20 10 EICDRO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954629 1051321239 /nfs/dbraw/zinc/32/12/39/1051321239.db2.gz KIUQQQSIIFGNMS-HXUWFJFHSA-N 1 0 326.509 4.351 20 10 EICDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001182261433 1051456996 /nfs/dbraw/zinc/45/69/96/1051456996.db2.gz JWYCJKMJHQWDDB-UYAOXDASSA-N 1 0 325.452 4.495 20 10 EICDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001191531443 1051478016 /nfs/dbraw/zinc/47/80/16/1051478016.db2.gz SKNKHVBBHAHUKB-FQEVSTJZSA-N 1 0 337.511 4.373 20 10 EICDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213507 1051496865 /nfs/dbraw/zinc/49/68/65/1051496865.db2.gz OAKARJXDXSKEBH-SRVKXCTJSA-N 1 0 331.287 4.222 20 10 EICDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC001182370883 1051528529 /nfs/dbraw/zinc/52/85/29/1051528529.db2.gz WWPKZWCAJILKIB-RXVVDRJESA-N 1 0 333.431 4.447 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1cc(Cl)ccc1O ZINC000775485582 1051557519 /nfs/dbraw/zinc/55/75/19/1051557519.db2.gz XDCLPWATBSSGKF-INIZCTEOSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Cl)ccc1O ZINC000774379340 1051568944 /nfs/dbraw/zinc/56/89/44/1051568944.db2.gz OLAZOSMLCCNTJT-NSHDSACASA-N 1 0 343.748 4.003 20 10 EICDRO CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775492031 1051585723 /nfs/dbraw/zinc/58/57/23/1051585723.db2.gz KQRTVJVAXVOJHZ-GFCCVEGCSA-N 1 0 325.758 4.055 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000774430542 1051590757 /nfs/dbraw/zinc/59/07/57/1051590757.db2.gz CKNCRDLMSCYHTG-SJCJKPOMSA-N 1 0 326.415 4.143 20 10 EICDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478213 1051606249 /nfs/dbraw/zinc/60/62/49/1051606249.db2.gz BQSPUAWRFZRWIU-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO CCO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000774499654 1051616243 /nfs/dbraw/zinc/61/62/43/1051616243.db2.gz XRGWMNJBGWUUNA-QANKJYHBSA-N 1 0 329.415 4.447 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775504508 1051644673 /nfs/dbraw/zinc/64/46/73/1051644673.db2.gz ZOALYJPZDSBIJH-BDJLRTHQSA-N 1 0 347.846 4.338 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000775507044 1051646507 /nfs/dbraw/zinc/64/65/07/1051646507.db2.gz GOMCJRQJNLFHGC-NVXWUHKLSA-N 1 0 340.250 4.473 20 10 EICDRO C[N@H+](Cc1ccc(C(F)F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000183921136 1051648529 /nfs/dbraw/zinc/64/85/29/1051648529.db2.gz FOERWSAEHXWPQO-UHFFFAOYSA-N 1 0 346.421 4.093 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000775507946 1051648800 /nfs/dbraw/zinc/64/88/00/1051648800.db2.gz PTIOUWBTUBZLDK-QFBILLFUSA-N 1 0 328.431 4.241 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1O ZINC000775509131 1051649157 /nfs/dbraw/zinc/64/91/57/1051649157.db2.gz ZSXGZZJKYBTIDY-AZUAARDMSA-N 1 0 327.468 4.464 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775514204 1051659771 /nfs/dbraw/zinc/65/97/71/1051659771.db2.gz RWOFOVXNIVCTKI-MSOLQXFVSA-N 1 0 349.858 4.219 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001182685690 1051672292 /nfs/dbraw/zinc/67/22/92/1051672292.db2.gz UDHYAXBBEZJQMJ-UHFFFAOYSA-N 1 0 333.712 4.493 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC001182725022 1051689054 /nfs/dbraw/zinc/68/90/54/1051689054.db2.gz DVRNNHNIYFGADS-OAHLLOKOSA-N 1 0 348.437 4.145 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(Cl)ccc1O ZINC000775523956 1051700190 /nfs/dbraw/zinc/70/01/90/1051700190.db2.gz BRFOQEIKXRRRCA-SJXGUFTOSA-N 1 0 343.945 4.466 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775524586 1051708238 /nfs/dbraw/zinc/70/82/38/1051708238.db2.gz RPLCLMPRUBQKPB-SOVGHPHASA-N 1 0 333.859 4.078 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000775526344 1051719303 /nfs/dbraw/zinc/71/93/03/1051719303.db2.gz QWOBOUXHOMPXAK-MAUKXSAKSA-N 1 0 343.467 4.329 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(C(C)C)ccc2O)C2CC2)cn1 ZINC001183189485 1051803960 /nfs/dbraw/zinc/80/39/60/1051803960.db2.gz UPUMQTXVFAQMRJ-FQEVSTJZSA-N 1 0 326.440 4.160 20 10 EICDRO COC(=O)c1cccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001183280088 1051812267 /nfs/dbraw/zinc/81/22/67/1051812267.db2.gz FZIFMXCVTSGTCN-UHFFFAOYSA-N 1 0 348.446 4.171 20 10 EICDRO CC(C)c1ccc(O)c(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC001183334428 1051831281 /nfs/dbraw/zinc/83/12/81/1051831281.db2.gz AHXODBFZUONWEM-UHFFFAOYSA-N 1 0 349.478 4.319 20 10 EICDRO CCCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000078822249 1051873953 /nfs/dbraw/zinc/87/39/53/1051873953.db2.gz VAFZCEOCZWHCML-UHFFFAOYSA-N 1 0 341.451 4.099 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1O ZINC000184581087 1052086000 /nfs/dbraw/zinc/08/60/00/1052086000.db2.gz ADVMPOHVCGHZMC-KSFYIVLOSA-N 1 0 333.431 4.443 20 10 EICDRO COc1c(O)c(C[N@H+](C)Cc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000774823845 1052161987 /nfs/dbraw/zinc/16/19/87/1052161987.db2.gz XBYQTJGFGLVJKB-UHFFFAOYSA-N 1 0 344.411 4.064 20 10 EICDRO CN(C)C(C)(C)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001177082099 1052220955 /nfs/dbraw/zinc/22/09/55/1052220955.db2.gz XEGAEFPNBNRWMR-UHFFFAOYSA-N 1 0 334.548 4.417 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1[O-] ZINC000184910341 1052294053 /nfs/dbraw/zinc/29/40/53/1052294053.db2.gz ZUKYIKPIMPJHCJ-JTQLQIEISA-N 1 0 329.293 4.281 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000184911924 1052295445 /nfs/dbraw/zinc/29/54/45/1052295445.db2.gz CIVKPNPNCGOLKJ-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)c1 ZINC000184902540 1052297596 /nfs/dbraw/zinc/29/75/96/1052297596.db2.gz MKRNOFJLSKDEBJ-HOTGVXAUSA-N 1 0 329.440 4.219 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000185011752 1052360085 /nfs/dbraw/zinc/36/00/85/1052360085.db2.gz RBUQRHVYLJVTPO-KBXCAEBGSA-N 1 0 348.512 4.196 20 10 EICDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185027546 1052366557 /nfs/dbraw/zinc/36/65/57/1052366557.db2.gz GZULXDALFJCCNA-HNNXBMFYSA-N 1 0 348.446 4.146 20 10 EICDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185049641 1052378045 /nfs/dbraw/zinc/37/80/45/1052378045.db2.gz BEHNZHUTWUGPLJ-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185046249 1052378457 /nfs/dbraw/zinc/37/84/57/1052378457.db2.gz ZCVQABQIUIYJSQ-HNNXBMFYSA-N 1 0 340.467 4.304 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000185093592 1052407858 /nfs/dbraw/zinc/40/78/58/1052407858.db2.gz MXCGSTUNWRPGKU-NSHDSACASA-N 1 0 343.320 4.323 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185165425 1052507403 /nfs/dbraw/zinc/50/74/03/1052507403.db2.gz KFVSCURWNGVGTO-INIZCTEOSA-N 1 0 347.462 4.308 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC000185241519 1052551068 /nfs/dbraw/zinc/55/10/68/1052551068.db2.gz IZDKKQCRJWTJHX-MRXNPFEDSA-N 1 0 344.524 4.325 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)CCCC2 ZINC000185943375 1052829123 /nfs/dbraw/zinc/82/91/23/1052829123.db2.gz NPTOROFEIGBEPX-CYBMUJFWSA-N 1 0 326.396 4.030 20 10 EICDRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc2ccccc2c1O ZINC000186094809 1052870788 /nfs/dbraw/zinc/87/07/88/1052870788.db2.gz WJMVHADWBZXORW-BSEYFRJRSA-N 1 0 339.460 4.134 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186129588 1052917871 /nfs/dbraw/zinc/91/78/71/1052917871.db2.gz GPIANMAGOGIKJJ-MAUKXSAKSA-N 1 0 329.484 4.413 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000850234931 1053095382 /nfs/dbraw/zinc/09/53/82/1053095382.db2.gz OCRFYPUKFDBCGG-AWEZNQCLSA-N 1 0 328.456 4.253 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000850394859 1053162856 /nfs/dbraw/zinc/16/28/56/1053162856.db2.gz GSQFSHIRNKNJAG-UHFFFAOYSA-N 1 0 344.524 4.025 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850409311 1053180557 /nfs/dbraw/zinc/18/05/57/1053180557.db2.gz QMIQNWMIVXVPNM-QGZVFWFLSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654923 1053251050 /nfs/dbraw/zinc/25/10/50/1053251050.db2.gz DQRMHMNMLDDWQR-GWCFXTLKSA-N 1 0 331.378 4.168 20 10 EICDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000850505817 1053264003 /nfs/dbraw/zinc/26/40/03/1053264003.db2.gz YVXGSKCHMICUMT-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1cc(Cl)ccc1O ZINC000850505229 1053266522 /nfs/dbraw/zinc/26/65/22/1053266522.db2.gz PNESCOGFABJNOC-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cccc(OC)c1 ZINC000850512908 1053267088 /nfs/dbraw/zinc/26/70/88/1053267088.db2.gz BWQRGKSAPRDLGF-PXAZEXFGSA-N 1 0 335.831 4.093 20 10 EICDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2cc3ccccc3o2)n1 ZINC000120059140 1053274295 /nfs/dbraw/zinc/27/42/95/1053274295.db2.gz CLYGBQMPAXMQNN-UHFFFAOYSA-N 1 0 347.418 4.171 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000764716832 1053278347 /nfs/dbraw/zinc/27/83/47/1053278347.db2.gz LZLDCQBWNLTIEK-CTNGQTDRSA-N 1 0 326.484 4.041 20 10 EICDRO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000850523798 1053280162 /nfs/dbraw/zinc/28/01/62/1053280162.db2.gz PJOYSCUHAAPCFO-JSGCOSHPSA-N 1 0 329.362 4.163 20 10 EICDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535826 1053296727 /nfs/dbraw/zinc/29/67/27/1053296727.db2.gz CBWAJLRQTUJDDD-RNCFNFMXSA-N 1 0 334.204 4.241 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764763040 1053301894 /nfs/dbraw/zinc/30/18/94/1053301894.db2.gz QOVHGKOVSNOQQQ-MOPGFXCFSA-N 1 0 331.529 4.158 20 10 EICDRO CCSC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000850552353 1053307425 /nfs/dbraw/zinc/30/74/25/1053307425.db2.gz MNOIGPICSYVQAG-SNVBAGLBSA-N 1 0 330.291 4.091 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000850553817 1053310569 /nfs/dbraw/zinc/31/05/69/1053310569.db2.gz DCGYVSNDWGHJCL-GZNCHQMQSA-N 1 0 339.479 4.207 20 10 EICDRO Cc1cccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000775643519 1053312089 /nfs/dbraw/zinc/31/20/89/1053312089.db2.gz QCGOVPXOPFUZDD-UHFFFAOYSA-N 1 0 344.430 4.079 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850558583 1053314881 /nfs/dbraw/zinc/31/48/81/1053314881.db2.gz UDNGEKFLZOCXKA-HWPZZCPQSA-N 1 0 326.223 4.083 20 10 EICDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)s1 ZINC000850565837 1053319007 /nfs/dbraw/zinc/31/90/07/1053319007.db2.gz IECZMFAGQUGVSU-HNNXBMFYSA-N 1 0 344.524 4.177 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850566769 1053319127 /nfs/dbraw/zinc/31/91/27/1053319127.db2.gz SHBQODVWYBJHSK-KRWDZBQOSA-N 1 0 338.495 4.061 20 10 EICDRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850566563 1053319863 /nfs/dbraw/zinc/31/98/63/1053319863.db2.gz PPJIPXASIPIPSH-SFHVURJKSA-N 1 0 338.495 4.115 20 10 EICDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567489 1053322178 /nfs/dbraw/zinc/32/21/78/1053322178.db2.gz DDXRBYVUYBWNCO-NQIIRXRSSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572468 1053326305 /nfs/dbraw/zinc/32/63/05/1053326305.db2.gz KMGJAIUGGPGUKB-APWZRJJASA-N 1 0 335.451 4.150 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc2ccccc2c1O ZINC000850572095 1053328324 /nfs/dbraw/zinc/32/83/24/1053328324.db2.gz AJZQVVRNYFHZGH-QYWGDWMGSA-N 1 0 335.447 4.361 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1O ZINC000794795017 1053379698 /nfs/dbraw/zinc/37/96/98/1053379698.db2.gz OAWGBVCHZKOGAS-OALUTQOASA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1O ZINC000794801065 1053384199 /nfs/dbraw/zinc/38/41/99/1053384199.db2.gz IAJJUIZXQDVTAM-PMACEKPBSA-N 1 0 335.451 4.379 20 10 EICDRO CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C)cc1O ZINC000794802378 1053384272 /nfs/dbraw/zinc/38/42/72/1053384272.db2.gz NMONPMVQWFBBLM-LBPRGKRZSA-N 1 0 344.402 4.459 20 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/nfs/dbraw/zinc/42/30/76/1053423076.db2.gz PZMGMKFXGXFCDI-OAHLLOKOSA-N 1 0 334.419 4.004 20 10 EICDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000775662133 1053429778 /nfs/dbraw/zinc/42/97/78/1053429778.db2.gz UUCPUUVMUMLRQG-SFHVURJKSA-N 1 0 331.843 4.100 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1O ZINC000794817712 1053431957 /nfs/dbraw/zinc/43/19/57/1053431957.db2.gz VDCSQXMZDVIFKD-PKOBYXMFSA-N 1 0 333.859 4.302 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1ccc(C)cc1O ZINC000794819749 1053435552 /nfs/dbraw/zinc/43/55/52/1053435552.db2.gz XLGSLPOAXFJNIG-IBGZPJMESA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(C)cc1O ZINC000794818678 1053435796 /nfs/dbraw/zinc/43/57/96/1053435796.db2.gz XYENWXGSYNFEAG-PIPMEXSNSA-N 1 0 341.495 4.371 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000794823582 1053438370 /nfs/dbraw/zinc/43/83/70/1053438370.db2.gz FVWUGRKPKDPBTC-MAUKXSAKSA-N 1 0 331.431 4.220 20 10 EICDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794829736 1053441646 /nfs/dbraw/zinc/44/16/46/1053441646.db2.gz WOLPSNATBWOYTN-SESVDKBCSA-N 1 0 327.468 4.500 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000109871478 1053451411 /nfs/dbraw/zinc/45/14/11/1053451411.db2.gz COXRXBOZSRPBAP-MRXNPFEDSA-N 1 0 332.241 4.322 20 10 EICDRO COc1cc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)on1 ZINC000851880405 1053528870 /nfs/dbraw/zinc/52/88/70/1053528870.db2.gz XXMBDTNYXQJHGB-OAHLLOKOSA-N 1 0 338.407 4.152 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000765385669 1053532076 /nfs/dbraw/zinc/53/20/76/1053532076.db2.gz MYPGGJXGKONTHB-CQSZACIVSA-N 1 0 345.874 4.085 20 10 EICDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000775679250 1053555396 /nfs/dbraw/zinc/55/53/96/1053555396.db2.gz SCKTWEBHJXDOJB-INIZCTEOSA-N 1 0 336.907 4.134 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000765475907 1053560509 /nfs/dbraw/zinc/56/05/09/1053560509.db2.gz PQNGJPRZRWTKAR-HNNXBMFYSA-N 1 0 329.463 4.199 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])CC(F)F ZINC000842891008 1053580493 /nfs/dbraw/zinc/58/04/93/1053580493.db2.gz VWNRQNSCCQWFOU-YUMQZZPRSA-N 1 0 340.183 4.236 20 10 EICDRO Cc1cc(C[NH+]2CCC3(CCCC3=O)CC2)ccc1N1CCCCC1 ZINC000852630435 1053596948 /nfs/dbraw/zinc/59/69/48/1053596948.db2.gz DARYGFNCKIKBHP-UHFFFAOYSA-N 1 0 340.511 4.321 20 10 EICDRO CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000852810463 1053615621 /nfs/dbraw/zinc/61/56/21/1053615621.db2.gz GYYFCSZFATVVKI-UHFFFAOYSA-N 1 0 334.463 4.049 20 10 EICDRO FC(F)(F)c1ccncc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000853094670 1053645394 /nfs/dbraw/zinc/64/53/94/1053645394.db2.gz JSWLSYFVASZYRH-UHFFFAOYSA-N 1 0 349.400 4.381 20 10 EICDRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236131 1053666984 /nfs/dbraw/zinc/66/69/84/1053666984.db2.gz JXTNOIRHUDAWFA-HZPDHXFCSA-N 1 0 340.467 4.365 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCc2cncc3ccccc32)c1 ZINC000866298256 1053682336 /nfs/dbraw/zinc/68/23/36/1053682336.db2.gz WDEJWYVMIZWQHK-HNNXBMFYSA-N 1 0 336.435 4.060 20 10 EICDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000775725648 1053697121 /nfs/dbraw/zinc/69/71/21/1053697121.db2.gz KPNXJWVTIHLAGR-UHFFFAOYSA-N 1 0 336.907 4.134 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)s1 ZINC000866455476 1053738472 /nfs/dbraw/zinc/73/84/72/1053738472.db2.gz LYVYMCOUQKLQED-RKDXNWHRSA-N 1 0 341.274 4.331 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485078 1053750448 /nfs/dbraw/zinc/75/04/48/1053750448.db2.gz LIMAOUDZMAHATL-UONOGXRCSA-N 1 0 339.439 4.401 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)CCO2 ZINC000765621237 1053821725 /nfs/dbraw/zinc/82/17/25/1053821725.db2.gz AVYBZFVQKUYJAZ-GOSISDBHSA-N 1 0 327.424 4.016 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1O ZINC000765674511 1053837465 /nfs/dbraw/zinc/83/74/65/1053837465.db2.gz DJDNDBWHNLIMHX-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2ncsc2c1 ZINC000776806787 1053907553 /nfs/dbraw/zinc/90/75/53/1053907553.db2.gz BZWRVTMEAWERNB-GFCCVEGCSA-N 1 0 329.444 4.352 20 10 EICDRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833156 1054107473 /nfs/dbraw/zinc/10/74/73/1054107473.db2.gz GSSDUQNVJNDFEZ-MRXNPFEDSA-N 1 0 339.483 4.165 20 10 EICDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1C ZINC000775833838 1054112028 /nfs/dbraw/zinc/11/20/28/1054112028.db2.gz MYJSQMSUFHSZKX-CQSZACIVSA-N 1 0 345.512 4.029 20 10 EICDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775838355 1054117776 /nfs/dbraw/zinc/11/77/76/1054117776.db2.gz XNKXXYRQEXZECV-CQSZACIVSA-N 1 0 345.874 4.085 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123609922 1054211191 /nfs/dbraw/zinc/21/11/91/1054211191.db2.gz UIDUFMLIPZTGQT-AVRDEDQJSA-N 1 0 338.495 4.451 20 10 EICDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000115629099 1054366842 /nfs/dbraw/zinc/36/68/42/1054366842.db2.gz GVZRJUOFOBTEKU-UHFFFAOYSA-N 1 0 348.494 4.153 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010361 1054395125 /nfs/dbraw/zinc/39/51/25/1054395125.db2.gz HMJFFTOADAFAJH-IBGZPJMESA-N 1 0 338.451 4.016 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000872130958 1054406809 /nfs/dbraw/zinc/40/68/09/1054406809.db2.gz UNTGOPPTKPZRKG-MNOVXSKESA-N 1 0 340.345 4.226 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1F ZINC000858116557 1054420423 /nfs/dbraw/zinc/42/04/23/1054420423.db2.gz OHYVPZHTKYQFQM-UHFFFAOYSA-N 1 0 332.366 4.262 20 10 EICDRO CCC[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccccn1 ZINC000858126174 1054421490 /nfs/dbraw/zinc/42/14/90/1054421490.db2.gz VPEQBICZZNMACN-AWEZNQCLSA-N 1 0 335.245 4.181 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000858237814 1054442563 /nfs/dbraw/zinc/44/25/63/1054442563.db2.gz DKWGHDHQAWOWAU-KRWDZBQOSA-N 1 0 347.256 4.181 20 10 EICDRO CCCOc1c(Cl)cc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000858237317 1054442909 /nfs/dbraw/zinc/44/29/09/1054442909.db2.gz JHVZEOFCDWDJBU-UHFFFAOYSA-N 1 0 349.858 4.441 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776013720 1054446979 /nfs/dbraw/zinc/44/69/79/1054446979.db2.gz NWWJCVBDHIDETN-CABZTGNLSA-N 1 0 337.769 4.217 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000858259259 1054449286 /nfs/dbraw/zinc/44/92/86/1054449286.db2.gz WXBZWJITOTWJDP-IYARVYRRSA-N 1 0 335.488 4.254 20 10 EICDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000858257479 1054449907 /nfs/dbraw/zinc/44/99/07/1054449907.db2.gz KNDFFGAGRBLNGE-UHFFFAOYSA-N 1 0 334.410 4.064 20 10 EICDRO FC(F)n1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000858292085 1054456438 /nfs/dbraw/zinc/45/64/38/1054456438.db2.gz VLWDJRDUYWJBPG-UHFFFAOYSA-N 1 0 328.362 4.261 20 10 EICDRO CCOCc1cc(C[NH2+]CC2(C(F)(F)F)CCCC2)ccc1OC ZINC000858307742 1054458636 /nfs/dbraw/zinc/45/86/36/1054458636.db2.gz LFPPTRFAXSCETA-UHFFFAOYSA-N 1 0 345.405 4.444 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC001199843002 1054476699 /nfs/dbraw/zinc/47/66/99/1054476699.db2.gz LYTMHPIPNBSUSX-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO CC(C)OCc1ccccc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199844241 1054477248 /nfs/dbraw/zinc/47/72/48/1054477248.db2.gz WSLHAMXCFRQGNA-FPLPWBNLSA-N 1 0 338.495 4.481 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000873050425 1054482270 /nfs/dbraw/zinc/48/22/70/1054482270.db2.gz WCPSFWYNJYGTEW-AWEZNQCLSA-N 1 0 339.439 4.217 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000873156821 1054495681 /nfs/dbraw/zinc/49/56/81/1054495681.db2.gz YWTKSTYHMFNEGP-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc32)cc1C ZINC001199924262 1054498166 /nfs/dbraw/zinc/49/81/66/1054498166.db2.gz DTSMBNREBCPXTM-GOSISDBHSA-N 1 0 338.495 4.325 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC001199923839 1054498239 /nfs/dbraw/zinc/49/82/39/1054498239.db2.gz BABOVANKSJAJDK-LJQANCHMSA-N 1 0 349.478 4.223 20 10 EICDRO CCCOc1ccc(C[NH2+]CCN(C)Cc2ccc(F)cc2)cc1C ZINC001200931951 1054580555 /nfs/dbraw/zinc/58/05/55/1054580555.db2.gz LKAVSYCXOOKXEX-UHFFFAOYSA-N 1 0 344.474 4.145 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000020146029 1054600770 /nfs/dbraw/zinc/60/07/70/1054600770.db2.gz PSZJIWSBFBNWOB-ZDUSSCGKSA-N 1 0 333.273 4.366 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000825748749 1054720903 /nfs/dbraw/zinc/72/09/03/1054720903.db2.gz IFFUFQXVACISMD-FQEVSTJZSA-N 1 0 335.488 4.089 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccc3ccccc3n2)c1O ZINC000776151882 1054738560 /nfs/dbraw/zinc/73/85/60/1054738560.db2.gz XIIHXQKMIKUXSP-UHFFFAOYSA-N 1 0 326.827 4.235 20 10 EICDRO CCC[C@@H](C)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000776154090 1054754521 /nfs/dbraw/zinc/75/45/21/1054754521.db2.gz OFSYODGMMHDWCP-CQSZACIVSA-N 1 0 326.431 4.283 20 10 EICDRO CCC[C@H](CC)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000776155600 1054756594 /nfs/dbraw/zinc/75/65/94/1054756594.db2.gz FZMQEYMDVXQDGD-AWEZNQCLSA-N 1 0 326.431 4.425 20 10 EICDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825789329 1054787295 /nfs/dbraw/zinc/78/72/95/1054787295.db2.gz PMNHXRFCWPFKOQ-INIZCTEOSA-N 1 0 335.806 4.279 20 10 EICDRO CCCC[N@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000825788135 1054788280 /nfs/dbraw/zinc/78/82/80/1054788280.db2.gz BXMVTZKRJHIASU-UHFFFAOYSA-N 1 0 327.472 4.196 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2CCc3ccc(C)cc32)ccc1OC ZINC000776174139 1054804238 /nfs/dbraw/zinc/80/42/38/1054804238.db2.gz AQKKDSASMURIHX-FQEVSTJZSA-N 1 0 325.452 4.317 20 10 EICDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1OC ZINC001201618786 1054866292 /nfs/dbraw/zinc/86/62/92/1054866292.db2.gz VPZYARLLHLCQIL-UXHICEINSA-N 1 0 330.516 4.360 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCCN2CCC2)c(O)c(C(C)(C)C)c1 ZINC001201833782 1054929168 /nfs/dbraw/zinc/92/91/68/1054929168.db2.gz VKJVRNCTSKBACI-UHFFFAOYSA-N 1 0 332.532 4.173 20 10 EICDRO Cc1cccc(CN(Cc2cccc(C)n2)Cc2c(C)cccc2O)n1 ZINC000876803626 1054960047 /nfs/dbraw/zinc/96/00/47/1054960047.db2.gz XNYVRZODIYSEMO-UHFFFAOYSA-N 1 0 347.462 4.310 20 10 EICDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001201953983 1054964529 /nfs/dbraw/zinc/96/45/29/1054964529.db2.gz CMFGJIMLEIDOQF-KXBFYZLASA-N 1 0 330.497 4.042 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000126446104 1055040284 /nfs/dbraw/zinc/04/02/84/1055040284.db2.gz TXYGWOHKRWHOPQ-KRWDZBQOSA-N 1 0 339.483 4.321 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C2CCC(F)(F)CC2)c1O ZINC000776253670 1055058898 /nfs/dbraw/zinc/05/88/98/1055058898.db2.gz NOYAFELOBCJUJP-UHFFFAOYSA-N 1 0 334.204 4.131 20 10 EICDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776257577 1055078446 /nfs/dbraw/zinc/07/84/46/1055078446.db2.gz YMTKWYLFGCQSJN-GFCCVEGCSA-N 1 0 349.272 4.271 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000877551160 1055079633 /nfs/dbraw/zinc/07/96/33/1055079633.db2.gz TWLVPEONSMZWGS-FQEVSTJZSA-N 1 0 342.483 4.028 20 10 EICDRO COC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193955 1055080484 /nfs/dbraw/zinc/08/04/84/1055080484.db2.gz LHZCYWSLPDHFIJ-BBIZLLLXSA-N 1 0 344.886 4.397 20 10 EICDRO OCC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000862536074 1055081055 /nfs/dbraw/zinc/08/10/55/1055081055.db2.gz CUAVIPNCVIRDDT-OAHLLOKOSA-N 1 0 344.213 4.051 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1OC ZINC000862549734 1055081762 /nfs/dbraw/zinc/08/17/62/1055081762.db2.gz DFYWFBYYHLHRKS-MRXNPFEDSA-N 1 0 347.842 4.230 20 10 EICDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000776256706 1055092018 /nfs/dbraw/zinc/09/20/18/1055092018.db2.gz GUDXVXISUBARGM-UHFFFAOYSA-N 1 0 347.842 4.291 20 10 EICDRO Cc1cc(Br)c(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000877629735 1055095278 /nfs/dbraw/zinc/09/52/78/1055095278.db2.gz AHTSKLLCWHTXAR-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO Cc1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000877659199 1055101878 /nfs/dbraw/zinc/10/18/78/1055101878.db2.gz LHQYNVSLUNWSJO-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OCC(C)C ZINC000877756530 1055114022 /nfs/dbraw/zinc/11/40/22/1055114022.db2.gz PNVWBYWUBPVWLS-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757079 1055114365 /nfs/dbraw/zinc/11/43/65/1055114365.db2.gz FKLMHGCDHVXTQY-CABCVRRESA-N 1 0 326.440 4.023 20 10 EICDRO Cc1sc(C[NH2+][C@H](C)c2ccccc2O)cc1Br ZINC000877756926 1055114592 /nfs/dbraw/zinc/11/45/92/1055114592.db2.gz CSLRNXJCKHOFAQ-SECBINFHSA-N 1 0 326.259 4.375 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)c1OC(F)(F)F)c1ccccc1O ZINC000877758302 1055117956 /nfs/dbraw/zinc/11/79/56/1055117956.db2.gz SCUDFNJHXCVTLT-JTQLQIEISA-N 1 0 329.293 4.281 20 10 EICDRO COc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)ccn1 ZINC000776266611 1055120306 /nfs/dbraw/zinc/12/03/06/1055120306.db2.gz WOWFVKUUFHSYKR-HXUWFJFHSA-N 1 0 348.446 4.260 20 10 EICDRO CC[C@@H]([NH2+]CCCCSC)c1cc(Br)ccc1O ZINC000119185500 1055127286 /nfs/dbraw/zinc/12/72/86/1055127286.db2.gz GSCBWIAPAXOMQY-CYBMUJFWSA-N 1 0 332.307 4.339 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1Cl ZINC000826003334 1055151626 /nfs/dbraw/zinc/15/16/26/1055151626.db2.gz KMSONRMVMVENPP-UHFFFAOYSA-N 1 0 344.764 4.100 20 10 EICDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542807 1055229141 /nfs/dbraw/zinc/22/91/41/1055229141.db2.gz ZXGQMWYUKDHWGX-FXAWDEMLSA-N 1 0 327.516 4.002 20 10 EICDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000107717848 1055264065 /nfs/dbraw/zinc/26/40/65/1055264065.db2.gz FNFCSMWKGNUQJD-OAQYLSRUSA-N 1 0 342.458 4.077 20 10 EICDRO COCc1ccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)cc1 ZINC000850021841 1055324420 /nfs/dbraw/zinc/32/44/20/1055324420.db2.gz LXUYHNJLUAPMHN-UHFFFAOYSA-N 1 0 343.467 4.135 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000127214212 1055352684 /nfs/dbraw/zinc/35/26/84/1055352684.db2.gz FLNHFSKHCZKEME-INIZCTEOSA-N 1 0 327.447 4.370 20 10 EICDRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186361540 1055391938 /nfs/dbraw/zinc/39/19/38/1055391938.db2.gz IGFVKBSAGHHOQE-KRWDZBQOSA-N 1 0 339.483 4.016 20 10 EICDRO C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccccc1O ZINC000186368242 1055402099 /nfs/dbraw/zinc/40/20/99/1055402099.db2.gz NVKNANAWOGALGC-KRWDZBQOSA-N 1 0 325.452 4.430 20 10 EICDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3c(C)cc(C)cc3O)CCO2)cc1 ZINC001168615903 1055447811 /nfs/dbraw/zinc/44/78/11/1055447811.db2.gz PSNOUIILMZWUGP-LAUBAEHRSA-N 1 0 341.451 4.028 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1C ZINC000765814866 1055501479 /nfs/dbraw/zinc/50/14/79/1055501479.db2.gz IWJMZSYRBMKQLR-AUUYWEPGSA-N 1 0 333.859 4.221 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000765882040 1056056340 /nfs/dbraw/zinc/05/63/40/1056056340.db2.gz QFAAQNLIHDQYRH-AOMKIAJQSA-N 1 0 334.463 4.290 20 10 EICDRO Cc1ccccc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756356651 1056707030 /nfs/dbraw/zinc/70/70/30/1056707030.db2.gz HGHAUYHYYJSLOV-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO Oc1ccccc1C[N@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000743848057 1059145222 /nfs/dbraw/zinc/14/52/22/1059145222.db2.gz NMBWFTPIHZKLGP-UHFFFAOYSA-N 1 0 337.463 4.314 20 10 EICDRO Cc1ccc(O)c(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000744446831 1059519181 /nfs/dbraw/zinc/51/91/81/1059519181.db2.gz DLDOZMUTJMOXDX-QGZVFWFLSA-N 1 0 340.467 4.033 20 10 EICDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766365783 1060310938 /nfs/dbraw/zinc/31/09/38/1060310938.db2.gz PJGMGQGZYLUNMX-RBUKOAKNSA-N 1 0 332.532 4.372 20 10 EICDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000798002916 1060379428 /nfs/dbraw/zinc/37/94/28/1060379428.db2.gz WRGFFVHLYKIWJS-QRQLOZEOSA-N 1 0 344.499 4.059 20 10 EICDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000766584907 1060641623 /nfs/dbraw/zinc/64/16/23/1060641623.db2.gz OYOYQYKVIZVKHQ-KGVIQGDOSA-N 1 0 341.543 4.200 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000691429581 1060953441 /nfs/dbraw/zinc/95/34/41/1060953441.db2.gz QOFITAHVYIPDKV-VIFPVBQESA-N 1 0 340.183 4.223 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000038039089 213196231 /nfs/dbraw/zinc/19/62/31/213196231.db2.gz FNUBNLJXRICHNG-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)c(O)c1 ZINC000729682205 1032131680 /nfs/dbraw/zinc/13/16/80/1032131680.db2.gz UNKRCIRPAVFHQQ-UHFFFAOYSA-N 1 0 338.451 4.487 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000120914383 1032475705 /nfs/dbraw/zinc/47/57/05/1032475705.db2.gz UVKYLKXCBIZVIA-MRXNPFEDSA-N 1 0 340.467 4.023 20 10 EICDRO Fc1cc(C[NH2+]CCCSc2nccs2)ccc1OC(F)F ZINC000168358553 1032628110 /nfs/dbraw/zinc/62/81/10/1032628110.db2.gz CVBVOAWDZKWTBE-UHFFFAOYSA-N 1 0 348.415 4.156 20 10 EICDRO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(Br)cc1O ZINC000841762553 1032643366 /nfs/dbraw/zinc/64/33/66/1032643366.db2.gz XONNAOIOJHDCCI-BDJLRTHQSA-N 1 0 348.240 4.077 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000153837465 1018737775 /nfs/dbraw/zinc/73/77/75/1018737775.db2.gz QJQBEMYJPBKVLG-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCCO1 ZINC000160183690 1018805827 /nfs/dbraw/zinc/80/58/27/1018805827.db2.gz DKAFJJIPUOVKKK-FQEVSTJZSA-N 1 0 348.446 4.122 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1C ZINC000274799383 1019601645 /nfs/dbraw/zinc/60/16/45/1019601645.db2.gz UQDGZENPQDVTRZ-ZDUSSCGKSA-N 1 0 343.858 4.400 20 10 EICDRO C[C@@H](NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698015 1019920599 /nfs/dbraw/zinc/92/05/99/1019920599.db2.gz WZUGARCHJVQWBT-UONOGXRCSA-N 1 0 332.879 4.150 20 10 EICDRO C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C[C@H](C)O ZINC000275066235 1020072616 /nfs/dbraw/zinc/07/26/16/1020072616.db2.gz XVZUUAVCASLNCC-FUHIMQAGSA-N 1 0 327.468 4.063 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1O ZINC000154966466 1020148885 /nfs/dbraw/zinc/14/88/85/1020148885.db2.gz ANQQTVJZISTUDP-OAQYLSRUSA-N 1 0 349.478 4.495 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC3(CCC3)CO2)C2CC2)cc1 ZINC001167109069 1020187360 /nfs/dbraw/zinc/18/73/60/1020187360.db2.gz ZOEAOTUPRJBLTA-FQEVSTJZSA-N 1 0 328.500 4.066 20 10 EICDRO Cc1ncc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)s1 ZINC000275158265 1020223097 /nfs/dbraw/zinc/22/30/97/1020223097.db2.gz AAKHUALJGGCAOA-VIFPVBQESA-N 1 0 341.274 4.079 20 10 EICDRO CCOC[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000748095666 1020303322 /nfs/dbraw/zinc/30/33/22/1020303322.db2.gz SYVAQNOTFXRUFO-CQSZACIVSA-N 1 0 325.408 4.150 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)CC(C)(C)C)cc1OC ZINC001204442506 1020335468 /nfs/dbraw/zinc/33/54/68/1020335468.db2.gz ZXXYZUJUIJBDKM-UHFFFAOYSA-N 1 0 343.467 4.458 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1O ZINC000155304418 1020457096 /nfs/dbraw/zinc/45/70/96/1020457096.db2.gz FNKHJMJYBFFMMO-SFHVURJKSA-N 1 0 339.414 4.266 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000155335676 1020499771 /nfs/dbraw/zinc/49/97/71/1020499771.db2.gz CNIGKCPZUYYSRA-KSSFIOAISA-N 1 0 340.423 4.151 20 10 EICDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cc1 ZINC000155357594 1020530767 /nfs/dbraw/zinc/53/07/67/1020530767.db2.gz DCAXBKZKTQGPLC-IBGZPJMESA-N 1 0 340.467 4.163 20 10 EICDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccccc2O)cc1 ZINC000155357696 1020532122 /nfs/dbraw/zinc/53/21/22/1020532122.db2.gz DCAXBKZKTQGPLC-LJQANCHMSA-N 1 0 340.467 4.163 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1O ZINC000155369537 1020546789 /nfs/dbraw/zinc/54/67/89/1020546789.db2.gz BFGNMTFIFJIFEA-LAUBAEHRSA-N 1 0 339.435 4.355 20 10 EICDRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177742292 1021635598 /nfs/dbraw/zinc/63/55/98/1021635598.db2.gz BBFIQQPCJCJTQI-CABCVRRESA-N 1 0 348.487 4.006 20 10 EICDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000178036491 1021873044 /nfs/dbraw/zinc/87/30/44/1021873044.db2.gz PJTNHLKKTJSBAW-JKSUJKDBSA-N 1 0 342.483 4.490 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC001167722498 1022035639 /nfs/dbraw/zinc/03/56/39/1022035639.db2.gz VVVDOLFQKFIBQE-GOSISDBHSA-N 1 0 348.494 4.317 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000892568871 1022211176 /nfs/dbraw/zinc/21/11/76/1022211176.db2.gz NNMZMQUWBVNWEC-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000398117252 1022245496 /nfs/dbraw/zinc/24/54/96/1022245496.db2.gz GCTAKTNIMYXVDG-WFXMLNOXSA-N 1 0 337.511 4.066 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001167431120 1022390387 /nfs/dbraw/zinc/39/03/87/1022390387.db2.gz IBZGZRUEGNMUOL-UHFFFAOYSA-N 1 0 337.511 4.348 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccoc1 ZINC000378167298 1022460144 /nfs/dbraw/zinc/46/01/44/1022460144.db2.gz HQHKPQOTGDCMOT-ZDUSSCGKSA-N 1 0 336.382 4.201 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)c(O)c1OC ZINC000892616219 1022556574 /nfs/dbraw/zinc/55/65/74/1022556574.db2.gz YHKFBMVPJPPJNM-ZDUSSCGKSA-N 1 0 341.407 4.315 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000706834351 1022887275 /nfs/dbraw/zinc/88/72/75/1022887275.db2.gz ZGVHTFUSGXNHJG-ZDUSSCGKSA-N 1 0 338.270 4.383 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cn2c3ccccc3oc2=S)cc1 ZINC000022366561 1022930536 /nfs/dbraw/zinc/93/05/36/1022930536.db2.gz STWNBPDLDKJQFF-UHFFFAOYSA-N 1 0 327.453 4.119 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000160831885 1022954323 /nfs/dbraw/zinc/95/43/23/1022954323.db2.gz JEUNYHFJPIWTLH-KKSFZXQISA-N 1 0 342.458 4.464 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC3CCCC3)nc2)c1 ZINC000185056924 1023002745 /nfs/dbraw/zinc/00/27/45/1023002745.db2.gz FYLZGDIWASJHOG-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO C[C@H](c1cccc(Br)c1)[N@H+](C)Cc1cc(O)ccc1O ZINC001141163187 1023247171 /nfs/dbraw/zinc/24/71/71/1023247171.db2.gz UKWHFLCQNIFUCH-LLVKDONJSA-N 1 0 336.229 4.053 20 10 EICDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000781892873 1023325728 /nfs/dbraw/zinc/32/57/28/1023325728.db2.gz FWKUUJRETDJBLW-OAHLLOKOSA-N 1 0 335.245 4.128 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000756532864 1023380259 /nfs/dbraw/zinc/38/02/59/1023380259.db2.gz GQVHSEMKZSPWHQ-DAYGRLMNSA-N 1 0 328.431 4.017 20 10 EICDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000156284227 1023380994 /nfs/dbraw/zinc/38/09/94/1023380994.db2.gz RMVRFPILSNOZGX-CQSZACIVSA-N 1 0 348.487 4.137 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCCOC)c1ccccc1O ZINC000156310627 1023463650 /nfs/dbraw/zinc/46/36/50/1023463650.db2.gz YTCUSRXWJZLILH-LJQANCHMSA-N 1 0 343.467 4.357 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1C ZINC000756555154 1023495780 /nfs/dbraw/zinc/49/57/80/1023495780.db2.gz SHQGJQSBTQVNPB-CVEARBPZSA-N 1 0 348.487 4.059 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000122432483 1023547715 /nfs/dbraw/zinc/54/77/15/1023547715.db2.gz IELJZKIWSFOZDP-GFCCVEGCSA-N 1 0 336.838 4.405 20 10 EICDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000078483825 1023623415 /nfs/dbraw/zinc/62/34/15/1023623415.db2.gz USMOVONCRTYCLY-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000120567665 1023632584 /nfs/dbraw/zinc/63/25/84/1023632584.db2.gz HSONNEJWNHRWPO-SFHVURJKSA-N 1 0 328.456 4.011 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000893911657 1033160801 /nfs/dbraw/zinc/16/08/01/1033160801.db2.gz SWXUYUYVYVZTLJ-GFCCVEGCSA-N 1 0 327.380 4.006 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000178267560 1023880603 /nfs/dbraw/zinc/88/06/03/1023880603.db2.gz SFBREEVHWOEIQV-KXBFYZLASA-N 1 0 340.467 4.326 20 10 EICDRO C[N@H+](CCCc1ccccc1)Cc1ccc(Br)cc1O ZINC001204648841 1024020685 /nfs/dbraw/zinc/02/06/85/1024020685.db2.gz XAQIOPXCOUCMQT-UHFFFAOYSA-N 1 0 334.257 4.219 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108596 1024348515 /nfs/dbraw/zinc/34/85/15/1024348515.db2.gz DQWQGWCIMOVFTQ-MAUKXSAKSA-N 1 0 344.886 4.046 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108598 1024349101 /nfs/dbraw/zinc/34/91/01/1024349101.db2.gz DQWQGWCIMOVFTQ-QAPCUYQASA-N 1 0 344.886 4.046 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c(C)n1 ZINC000157500857 1025871492 /nfs/dbraw/zinc/87/14/92/1025871492.db2.gz DZIYCNBDLUNOPV-MRXNPFEDSA-N 1 0 338.499 4.181 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000157825054 1026064912 /nfs/dbraw/zinc/06/49/12/1026064912.db2.gz PBOKFOBNRXRXIP-XERREHJYSA-N 1 0 346.490 4.424 20 10 EICDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000729464180 1026259258 /nfs/dbraw/zinc/25/92/58/1026259258.db2.gz NWSIBKRPKYFQJC-UHFFFAOYSA-N 1 0 349.430 4.111 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c(O)c1OC ZINC000894773021 1026415083 /nfs/dbraw/zinc/41/50/83/1026415083.db2.gz NOXMXBXSOAMCJP-INIZCTEOSA-N 1 0 349.377 4.025 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000161267633 1026612575 /nfs/dbraw/zinc/61/25/75/1026612575.db2.gz CJEQWBQRWSSPNT-MRXNPFEDSA-N 1 0 327.447 4.370 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000158843361 1026684857 /nfs/dbraw/zinc/68/48/57/1026684857.db2.gz XRHSOFVVJKLMEZ-HRAATJIYSA-N 1 0 349.482 4.135 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000158875897 1026695335 /nfs/dbraw/zinc/69/53/35/1026695335.db2.gz JFGSIAGTVAVILL-INIZCTEOSA-N 1 0 339.483 4.342 20 10 EICDRO CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1O ZINC001143446528 1026996984 /nfs/dbraw/zinc/99/69/84/1026996984.db2.gz DKLJUPHNUSEMTP-UHFFFAOYSA-N 1 0 343.320 4.452 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382461033 1027680458 /nfs/dbraw/zinc/68/04/58/1027680458.db2.gz WAWXMNRBQUQROZ-ARFHVFGLSA-N 1 0 348.487 4.045 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2cccc3cccnc32)cc1 ZINC000327260322 1027692799 /nfs/dbraw/zinc/69/27/99/1027692799.db2.gz AQFOYDXVSXDTIB-UHFFFAOYSA-N 1 0 333.479 4.413 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(C(C)(C)O)cc1 ZINC000925104368 1028040542 /nfs/dbraw/zinc/04/05/42/1028040542.db2.gz XVBMSNQYJQWHFR-CYBMUJFWSA-N 1 0 336.526 4.204 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1)c1ccccc1O ZINC000367319097 1029353451 /nfs/dbraw/zinc/35/34/51/1029353451.db2.gz TZHVBSPCJYBVAJ-BLLLJJGKSA-N 1 0 341.386 4.383 20 10 EICDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000185134984 1030117760 /nfs/dbraw/zinc/11/77/60/1030117760.db2.gz ZCZUXGDQLPKVGQ-LBPRGKRZSA-N 1 0 343.377 4.015 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000186192631 1030256790 /nfs/dbraw/zinc/25/67/90/1030256790.db2.gz ISWRJLVSKYSLEO-GJZGRUSLSA-N 1 0 337.423 4.205 20 10 EICDRO COc1nc2ccccc2cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000526988283 1030381711 /nfs/dbraw/zinc/38/17/11/1030381711.db2.gz CLZQNIJRDQIBJX-UHFFFAOYSA-N 1 0 345.446 4.333 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2CCOc3c(C)cccc32)ccc1OC ZINC000188945506 1030439772 /nfs/dbraw/zinc/43/97/72/1030439772.db2.gz YQSSQEFZGUJGKX-IBGZPJMESA-N 1 0 341.451 4.154 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)ccc1OC ZINC000897419953 1030629965 /nfs/dbraw/zinc/62/99/65/1030629965.db2.gz WYFZJONPNDRSHG-OAHLLOKOSA-N 1 0 341.451 4.017 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000527924168 1030917077 /nfs/dbraw/zinc/91/70/77/1030917077.db2.gz HJSRLAAQNMJIJA-DOMZBBRYSA-N 1 0 331.378 4.268 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)OC)c1 ZINC000527932765 1030975043 /nfs/dbraw/zinc/97/50/43/1030975043.db2.gz YUDGCGNRUHNCQR-KZULUSFZSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc(CCCN2CCCCc3cc(OC)ccc32)c1 ZINC001168244778 1031439674 /nfs/dbraw/zinc/43/96/74/1031439674.db2.gz TVYVFJVQBQIVFW-UHFFFAOYSA-N 1 0 325.452 4.479 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3nc(C(C)C)cs3)CC2)cc1 ZINC000128611565 1031749452 /nfs/dbraw/zinc/74/94/52/1031749452.db2.gz SKENTCXXTBLYST-UHFFFAOYSA-N 1 0 345.512 4.034 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2)c1 ZINC000359978415 1031906371 /nfs/dbraw/zinc/90/63/71/1031906371.db2.gz ZUNUMRKMUATBQG-OAHLLOKOSA-N 1 0 334.419 4.314 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000236959000 1033694396 /nfs/dbraw/zinc/69/43/96/1033694396.db2.gz CHJKZWUUHVXOKJ-UHFFFAOYSA-N 1 0 337.511 4.291 20 10 EICDRO c1ccc2c(c1)ccnc2C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000894191813 1034661227 /nfs/dbraw/zinc/66/12/27/1034661227.db2.gz QQOSPVSUUCPABH-UHFFFAOYSA-N 1 0 349.503 4.078 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)c1 ZINC000237088535 1034796673 /nfs/dbraw/zinc/79/66/73/1034796673.db2.gz BHYAQICOIDLVJF-QGZVFWFLSA-N 1 0 329.440 4.496 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C)cc1O ZINC000280072072 1035154395 /nfs/dbraw/zinc/15/43/95/1035154395.db2.gz LCJRSNUARUAPOH-HXUWFJFHSA-N 1 0 335.451 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(C)cc1O ZINC000280221106 1035201332 /nfs/dbraw/zinc/20/13/32/1035201332.db2.gz UTYVQGFQAVXTHT-MSOLQXFVSA-N 1 0 327.424 4.274 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCCc2c[nH]c3ccccc23)c1O ZINC000761205451 1036041939 /nfs/dbraw/zinc/04/19/39/1036041939.db2.gz DSVZXRYEOXRELC-UHFFFAOYSA-N 1 0 344.842 4.258 20 10 EICDRO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164492586 1036160507 /nfs/dbraw/zinc/16/05/07/1036160507.db2.gz ZCUCFJBAAUCODD-UHFFFAOYSA-N 1 0 349.515 4.478 20 10 EICDRO CCc1ccc([C@@H](COC)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263594 1036742929 /nfs/dbraw/zinc/74/29/29/1036742929.db2.gz WGJAWWRLJAJGIW-RBUKOAKNSA-N 1 0 330.472 4.336 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000156981541 1036787766 /nfs/dbraw/zinc/78/77/66/1036787766.db2.gz OBGLQRRCJGVPNL-NLWGTHIKSA-N 1 0 346.421 4.157 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2ccnc2)cc1 ZINC000171377560 1037361782 /nfs/dbraw/zinc/36/17/82/1037361782.db2.gz PZNNQGDLFYGEGI-QGZVFWFLSA-N 1 0 346.478 4.106 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1OC ZINC000273300148 1037404519 /nfs/dbraw/zinc/40/45/19/1037404519.db2.gz BCKOSEAYBIVHHV-CQSZACIVSA-N 1 0 345.439 4.049 20 10 EICDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc(OC)c1OC ZINC000273385102 1037444717 /nfs/dbraw/zinc/44/47/17/1037444717.db2.gz JIZQDRCWDDYYJC-KGLIPLIRSA-N 1 0 345.439 4.138 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000273391021 1037447720 /nfs/dbraw/zinc/44/77/20/1037447720.db2.gz KPZAQLYQWDTFKI-HNNXBMFYSA-N 1 0 329.440 4.267 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000273422641 1037459929 /nfs/dbraw/zinc/45/99/29/1037459929.db2.gz JSMQSBVROIOXHG-DLVCFXQMSA-N 1 0 342.458 4.463 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1O ZINC000273433626 1037465070 /nfs/dbraw/zinc/46/50/70/1037465070.db2.gz LMZYWJASYLYXAO-MOFZMDFASA-N 1 0 333.378 4.241 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000273468789 1037473217 /nfs/dbraw/zinc/47/32/17/1037473217.db2.gz ROQQTGKKWAJHNM-VHFSOBRXSA-N 1 0 329.415 4.411 20 10 EICDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508963 1037489349 /nfs/dbraw/zinc/48/93/49/1037489349.db2.gz QLLPUEWSQUHFFS-IEBWSBKVSA-N 1 0 333.378 4.023 20 10 EICDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508967 1037489676 /nfs/dbraw/zinc/48/96/76/1037489676.db2.gz QLLPUEWSQUHFFS-PKOBYXMFSA-N 1 0 333.378 4.023 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccc1OC ZINC000273578002 1037513411 /nfs/dbraw/zinc/51/34/11/1037513411.db2.gz MCVLEARJTYVLIF-HNNXBMFYSA-N 1 0 329.440 4.267 20 10 EICDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760905100 1037654852 /nfs/dbraw/zinc/65/48/52/1037654852.db2.gz IGIOYBMCATXFPJ-GXTWGEPZSA-N 1 0 348.384 4.044 20 10 EICDRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163604186 1037740287 /nfs/dbraw/zinc/74/02/87/1037740287.db2.gz WAUGRSXZIWHBLT-HNNXBMFYSA-N 1 0 332.538 4.461 20 10 EICDRO COc1ccc(C[NH2+]CCc2ccc(Br)s2)cc1C ZINC000063559977 1038453515 /nfs/dbraw/zinc/45/35/15/1038453515.db2.gz CFUFVTVKFAVJCC-UHFFFAOYSA-N 1 0 340.286 4.160 20 10 EICDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000151064766 1038629896 /nfs/dbraw/zinc/62/98/96/1038629896.db2.gz JDVZKWXIMGYZLS-JOCHJYFZSA-N 1 0 338.495 4.327 20 10 EICDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000757654743 1039859812 /nfs/dbraw/zinc/85/98/12/1039859812.db2.gz CSOQANNFVNXKJR-UPJWGTAASA-N 1 0 342.277 4.011 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000479451083 1040358973 /nfs/dbraw/zinc/35/89/73/1040358973.db2.gz HIZIGYFPWVZDJX-IAGOWNOFSA-N 1 0 336.483 4.036 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000152242788 1042730367 /nfs/dbraw/zinc/73/03/67/1042730367.db2.gz GNYQWDWEGGEAEP-FQEVSTJZSA-N 1 0 334.467 4.179 20 10 EICDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000727429048 1043220723 /nfs/dbraw/zinc/22/07/23/1043220723.db2.gz WTEBNLRPUWDRQW-UHFFFAOYSA-N 1 0 341.451 4.099 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)ccc21 ZINC000727645000 1043256064 /nfs/dbraw/zinc/25/60/64/1043256064.db2.gz UXPJBLPZBWYNEX-LJQANCHMSA-N 1 0 340.442 4.212 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1C ZINC000727831362 1043313018 /nfs/dbraw/zinc/31/30/18/1043313018.db2.gz XSIRBCJLHMIBOT-UHFFFAOYSA-N 1 0 329.440 4.130 20 10 EICDRO CCOc1ccccc1C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000731360965 1043741285 /nfs/dbraw/zinc/74/12/85/1043741285.db2.gz RSXYRDQUBRAERH-UHFFFAOYSA-N 1 0 330.447 4.360 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000731451062 1043759201 /nfs/dbraw/zinc/75/92/01/1043759201.db2.gz GNLGJJRHPDXQST-UHFFFAOYSA-N 1 0 341.451 4.402 20 10 EICDRO Oc1ccccc1C[N@H+](CCOc1cccc(F)c1)Cc1ccco1 ZINC000731845399 1043833772 /nfs/dbraw/zinc/83/37/72/1043833772.db2.gz ZSXHXNYXEFYJNQ-UHFFFAOYSA-N 1 0 341.382 4.206 20 10 EICDRO C[C@H]([NH2+]C(C)(C)CNCc1c(O)cccc1Cl)c1ccccc1 ZINC000733900979 1043855870 /nfs/dbraw/zinc/85/58/70/1043855870.db2.gz UTHUADFGXSTAIR-AWEZNQCLSA-N 1 0 332.875 4.265 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000701943602 1043858103 /nfs/dbraw/zinc/85/81/03/1043858103.db2.gz IFXVUIOJDLLSHP-JOYOIKCWSA-N 1 0 334.204 4.241 20 10 EICDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153143662 1043881133 /nfs/dbraw/zinc/88/11/33/1043881133.db2.gz CZUMEMJQVAFPDA-LAUBAEHRSA-N 1 0 336.479 4.170 20 10 EICDRO CC[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184032 1043881370 /nfs/dbraw/zinc/88/13/70/1043881370.db2.gz DLXOFCQFJJDIPX-KGLIPLIRSA-N 1 0 329.440 4.017 20 10 EICDRO COC(=O)c1oc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1C ZINC000732204114 1043887001 /nfs/dbraw/zinc/88/70/01/1043887001.db2.gz DGHAKBHKTJKYRN-UHFFFAOYSA-N 1 0 343.423 4.025 20 10 EICDRO Cn1ccnc1C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000732202601 1043887547 /nfs/dbraw/zinc/88/75/47/1043887547.db2.gz YMDMWRVKGKTRHR-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)c1 ZINC000732486158 1043923793 /nfs/dbraw/zinc/92/37/93/1043923793.db2.gz JHLCERQKZWKGDA-IBGZPJMESA-N 1 0 341.451 4.363 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766190290 1044124765 /nfs/dbraw/zinc/12/47/65/1044124765.db2.gz DTMYDWSEIFMOEB-OGWHTMIXSA-N 1 0 346.490 4.282 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSc2ccc(F)cc2F)c1 ZINC001168712400 1044186554 /nfs/dbraw/zinc/18/65/54/1044186554.db2.gz JXUXTACRBIIXIA-LLVKDONJSA-N 1 0 339.407 4.122 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1F ZINC000733325775 1044187912 /nfs/dbraw/zinc/18/79/12/1044187912.db2.gz XHVXOVIOCOQXKM-UHFFFAOYSA-N 1 0 340.364 4.243 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000733324627 1044188796 /nfs/dbraw/zinc/18/87/96/1044188796.db2.gz OTCJRWJYUOFBGH-UHFFFAOYSA-N 1 0 345.748 4.277 20 10 EICDRO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000733334651 1044196682 /nfs/dbraw/zinc/19/66/82/1044196682.db2.gz NTUCULFVUXBLGY-LJQANCHMSA-N 1 0 344.886 4.108 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000733334574 1044196908 /nfs/dbraw/zinc/19/69/08/1044196908.db2.gz MJDIAHFDQDCQEN-IBGZPJMESA-N 1 0 344.886 4.108 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331594 1044197282 /nfs/dbraw/zinc/19/72/82/1044197282.db2.gz HNMRLGFFFUNXHM-UHFFFAOYSA-N 1 0 347.414 4.120 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c1 ZINC000186520485 1044249766 /nfs/dbraw/zinc/24/97/66/1044249766.db2.gz NEWVJDBAVORGGP-KRWDZBQOSA-N 1 0 341.451 4.265 20 10 EICDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)o1 ZINC000766140917 1044331912 /nfs/dbraw/zinc/33/19/12/1044331912.db2.gz LYOMSQBFOYYOPG-KXBFYZLASA-N 1 0 346.446 4.102 20 10 EICDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)o1 ZINC000766140915 1044333637 /nfs/dbraw/zinc/33/36/37/1044333637.db2.gz LYOMSQBFOYYOPG-HNAYVOBHSA-N 1 0 346.446 4.102 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000227438547 1044435509 /nfs/dbraw/zinc/43/55/09/1044435509.db2.gz AFUBXHAXTQPFMT-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734845859 1044698080 /nfs/dbraw/zinc/69/80/80/1044698080.db2.gz JTEPRPKXWGJXJG-VGOFRKELSA-N 1 0 347.458 4.313 20 10 EICDRO C[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000735079028 1044737685 /nfs/dbraw/zinc/73/76/85/1044737685.db2.gz ZNNNHILZRXHCBD-FXAWDEMLSA-N 1 0 325.452 4.177 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c1O ZINC000895472670 1044768397 /nfs/dbraw/zinc/76/83/97/1044768397.db2.gz FLYAZLDLFCEKNJ-UHFFFAOYSA-N 1 0 329.440 4.176 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000706843309 1044790140 /nfs/dbraw/zinc/79/01/40/1044790140.db2.gz QNPQVHIJWLRIHK-KRWDZBQOSA-N 1 0 332.241 4.396 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000735508485 1044831178 /nfs/dbraw/zinc/83/11/78/1044831178.db2.gz BMJZIVZBDYSWSM-UHFFFAOYSA-N 1 0 342.527 4.362 20 10 EICDRO Cc1cc(CC[NH2+]Cc2sc(C)nc2C)c(C)n1-c1ccccc1 ZINC000736640508 1044960597 /nfs/dbraw/zinc/96/05/97/1044960597.db2.gz DODLSJCZBTXNCH-UHFFFAOYSA-N 1 0 339.508 4.500 20 10 EICDRO CCc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738158668 1045041945 /nfs/dbraw/zinc/04/19/45/1045041945.db2.gz OSSYSPPQONBZOW-SFHVURJKSA-N 1 0 341.499 4.286 20 10 EICDRO Cc1cc(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[nH]n1 ZINC000738430836 1045061357 /nfs/dbraw/zinc/06/13/57/1045061357.db2.gz MSOVKVHNIOWHEV-UHFFFAOYSA-N 1 0 329.488 4.309 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)ccc21 ZINC000738431036 1045061438 /nfs/dbraw/zinc/06/14/38/1045061438.db2.gz XZQFLZYTAADZHN-UHFFFAOYSA-N 1 0 336.479 4.072 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000766236486 1045091663 /nfs/dbraw/zinc/09/16/63/1045091663.db2.gz DTCVRDAUFIJHBJ-HNNXBMFYSA-N 1 0 336.426 4.035 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CCO2 ZINC000186694805 1045141621 /nfs/dbraw/zinc/14/16/21/1045141621.db2.gz INHUOLCGRHDUHJ-YVEFUNNKSA-N 1 0 331.387 4.104 20 10 EICDRO CCc1nc(CC[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cs1 ZINC000740004182 1045173612 /nfs/dbraw/zinc/17/36/12/1045173612.db2.gz HSCKUJZGNQZXNZ-UHFFFAOYSA-N 1 0 335.492 4.023 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)cc1F ZINC000740002110 1045174971 /nfs/dbraw/zinc/17/49/71/1045174971.db2.gz MLICKZIFLUKRIQ-QGZVFWFLSA-N 1 0 342.458 4.013 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000740014172 1045180155 /nfs/dbraw/zinc/18/01/55/1045180155.db2.gz GFQUSDNFBYHBAP-HXUWFJFHSA-N 1 0 346.540 4.372 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)cc1C ZINC000740864361 1045232254 /nfs/dbraw/zinc/23/22/54/1045232254.db2.gz FAUVUKZYLGTBGY-IBGZPJMESA-N 1 0 338.495 4.105 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000790696027 1045561609 /nfs/dbraw/zinc/56/16/09/1045561609.db2.gz PBUJCHXMKBBQQR-HNNXBMFYSA-N 1 0 327.428 4.210 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000767693832 1045596425 /nfs/dbraw/zinc/59/64/25/1045596425.db2.gz PJCSFWDIQDWQEL-UHFFFAOYSA-N 1 0 344.886 4.416 20 10 EICDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000767726508 1045621037 /nfs/dbraw/zinc/62/10/37/1045621037.db2.gz CVEVHMPIJYCDBX-FQEVSTJZSA-N 1 0 336.479 4.030 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000791000460 1045653119 /nfs/dbraw/zinc/65/31/19/1045653119.db2.gz WSNRSCDLBZPDCP-UHFFFAOYSA-N 1 0 345.418 4.178 20 10 EICDRO Fc1cc(C[NH2+]CCCCC2CCCC2)ccc1N1CCOCC1 ZINC000742387419 1045657849 /nfs/dbraw/zinc/65/78/49/1045657849.db2.gz HXAGBSBBTQVMKV-UHFFFAOYSA-N 1 0 334.479 4.112 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000790973565 1045659800 /nfs/dbraw/zinc/65/98/00/1045659800.db2.gz NXSMLOWVWUVEDT-UHFFFAOYSA-N 1 0 340.870 4.071 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000767900715 1045677814 /nfs/dbraw/zinc/67/78/14/1045677814.db2.gz UKQLAKRYFSLUMK-SFHVURJKSA-N 1 0 337.419 4.320 20 10 EICDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742725083 1045703769 /nfs/dbraw/zinc/70/37/69/1045703769.db2.gz ZYWJJKXUVWAIGB-ZDUSSCGKSA-N 1 0 335.369 4.361 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccnc2ccccc12)C[C@@H]1CCCO1 ZINC000768160911 1045728547 /nfs/dbraw/zinc/72/85/47/1045728547.db2.gz CAMGMGOQKVOZGZ-IBGZPJMESA-N 1 0 348.446 4.122 20 10 EICDRO c1cc(N2CCCCC2)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000768239011 1045751847 /nfs/dbraw/zinc/75/18/47/1045751847.db2.gz ADJWKQKBQDKOJB-UHFFFAOYSA-N 1 0 341.543 4.127 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000768287596 1045779892 /nfs/dbraw/zinc/77/98/92/1045779892.db2.gz SOEOHXBTHYOHOJ-YWZLYKJASA-N 1 0 340.467 4.326 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1OC ZINC000768439861 1045806961 /nfs/dbraw/zinc/80/69/61/1045806961.db2.gz ODHNNHGNEVMJKB-OAHLLOKOSA-N 1 0 341.451 4.210 20 10 EICDRO COc1cc(O)c(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)cc1OC ZINC000768442478 1045807241 /nfs/dbraw/zinc/80/72/41/1045807241.db2.gz QGQGCIMAALIPKZ-UHFFFAOYSA-N 1 0 339.435 4.007 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)cc1C ZINC000768449722 1045808230 /nfs/dbraw/zinc/80/82/30/1045808230.db2.gz ZKOIMMZEBAGRRP-QGZVFWFLSA-N 1 0 333.378 4.325 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1OC ZINC000768465750 1045810849 /nfs/dbraw/zinc/81/08/49/1045810849.db2.gz KGOZQDGNEMXTRK-MAUKXSAKSA-N 1 0 341.451 4.035 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000768464069 1045810884 /nfs/dbraw/zinc/81/08/84/1045810884.db2.gz NDRGMYFZPMIFSF-KRWDZBQOSA-N 1 0 345.414 4.276 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)c1 ZINC000768519748 1045814379 /nfs/dbraw/zinc/81/43/79/1045814379.db2.gz FSFDJPKFKIITBQ-HNNXBMFYSA-N 1 0 329.440 4.383 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000768528208 1045815191 /nfs/dbraw/zinc/81/51/91/1045815191.db2.gz OWWWATXCDDVXQD-UHFFFAOYSA-N 1 0 341.451 4.143 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1OC ZINC000768536545 1045816502 /nfs/dbraw/zinc/81/65/02/1045816502.db2.gz YJYGBKZJKHRTFM-NRFANRHFSA-N 1 0 341.451 4.007 20 10 EICDRO CCOc1ccc(C[N@H+](CCOC)[C@@H](C)c2ccccc2)c(O)c1 ZINC000768597288 1045824759 /nfs/dbraw/zinc/82/47/59/1045824759.db2.gz REHZRBKFSWWSMM-INIZCTEOSA-N 1 0 329.440 4.001 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000768775450 1045839662 /nfs/dbraw/zinc/83/96/62/1045839662.db2.gz ANZZLODTBNVEIH-INIZCTEOSA-N 1 0 336.435 4.262 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000768775454 1045840140 /nfs/dbraw/zinc/84/01/40/1045840140.db2.gz ANZZLODTBNVEIH-MRXNPFEDSA-N 1 0 336.435 4.262 20 10 EICDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000768872156 1045850180 /nfs/dbraw/zinc/85/01/80/1045850180.db2.gz DULWSTRZHBKLSJ-UHFFFAOYSA-N 1 0 349.478 4.194 20 10 EICDRO COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000792183569 1045873948 /nfs/dbraw/zinc/87/39/48/1045873948.db2.gz PUOXCKCQLLMMPH-UHFFFAOYSA-N 1 0 326.223 4.306 20 10 EICDRO Oc1ccc(F)cc1C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792192059 1045876900 /nfs/dbraw/zinc/87/69/00/1045876900.db2.gz AQSGMPBYEIVCQS-UHFFFAOYSA-N 1 0 327.321 4.486 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000769122729 1045882111 /nfs/dbraw/zinc/88/21/11/1045882111.db2.gz UQMODOZBZFLKSF-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)ccc1SC ZINC000769192852 1045885620 /nfs/dbraw/zinc/88/56/20/1045885620.db2.gz QVINHOFISZFPCL-UHFFFAOYSA-N 1 0 337.872 4.408 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1 ZINC000769208647 1045893848 /nfs/dbraw/zinc/89/38/48/1045893848.db2.gz OIMVEESEIZUOQM-UHFFFAOYSA-N 1 0 328.456 4.046 20 10 EICDRO CC1CCC(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000769384551 1045946248 /nfs/dbraw/zinc/94/62/48/1045946248.db2.gz QKZHIXFTHNFWKJ-UHFFFAOYSA-N 1 0 330.516 4.312 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000769427510 1045961680 /nfs/dbraw/zinc/96/16/80/1045961680.db2.gz MLUGJHRCKPZXJI-UHFFFAOYSA-N 1 0 333.435 4.162 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(O)c1 ZINC000769471881 1045985125 /nfs/dbraw/zinc/98/51/25/1045985125.db2.gz XVQXEMSXLNUJMX-UHFFFAOYSA-N 1 0 340.467 4.176 20 10 EICDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000769471544 1045989870 /nfs/dbraw/zinc/98/98/70/1045989870.db2.gz VQJSVKPFLZAUTD-CYBMUJFWSA-N 1 0 335.492 4.412 20 10 EICDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1O ZINC000769519675 1046007418 /nfs/dbraw/zinc/00/74/18/1046007418.db2.gz WPZKEIRUOCWNDX-INIZCTEOSA-N 1 0 343.467 4.110 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000769554870 1046018714 /nfs/dbraw/zinc/01/87/14/1046018714.db2.gz BDROVJIFFMIEEW-UHFFFAOYSA-N 1 0 345.389 4.358 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000769560195 1046021354 /nfs/dbraw/zinc/02/13/54/1046021354.db2.gz TZGFPDFTJVQFFU-CYBMUJFWSA-N 1 0 333.378 4.059 20 10 EICDRO CC[N@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825435 1046073174 /nfs/dbraw/zinc/07/31/74/1046073174.db2.gz VMPKCADNXRCNTF-UHFFFAOYSA-N 1 0 337.389 4.189 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)cs2)c1 ZINC000769788770 1046074852 /nfs/dbraw/zinc/07/48/52/1046074852.db2.gz YFLOQHPHSINIEQ-CYBMUJFWSA-N 1 0 340.448 4.375 20 10 EICDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000792894447 1046095636 /nfs/dbraw/zinc/09/56/36/1046095636.db2.gz XKFZRHDJNBDKHP-HZPDHXFCSA-N 1 0 342.483 4.052 20 10 EICDRO COc1ccc(C[NH2+]C[C@H](OC(C)C)c2ccccc2OC)cc1C ZINC000769936248 1046116577 /nfs/dbraw/zinc/11/65/77/1046116577.db2.gz VCRDJYWQVRZWNJ-NRFANRHFSA-N 1 0 343.467 4.268 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1O ZINC000769984984 1046122397 /nfs/dbraw/zinc/12/23/97/1046122397.db2.gz BOSDZYLJUKLZJX-CKFHNAJUSA-N 1 0 332.875 4.388 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1 ZINC000763398664 1046128819 /nfs/dbraw/zinc/12/88/19/1046128819.db2.gz ORZMJJXCNJVGGG-WWMYMODYSA-N 1 0 326.484 4.306 20 10 EICDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000747100463 1046138251 /nfs/dbraw/zinc/13/82/51/1046138251.db2.gz IHEYEBGIWZJXOV-OAQYLSRUSA-N 1 0 333.431 4.191 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000793353260 1046213503 /nfs/dbraw/zinc/21/35/03/1046213503.db2.gz QMCQHLCNFNVDIA-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1O ZINC000770664457 1046246171 /nfs/dbraw/zinc/24/61/71/1046246171.db2.gz OQJKSQAVMBCCEY-UHFFFAOYSA-N 1 0 347.405 4.449 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc2ccccc2c1O ZINC000793566003 1046293474 /nfs/dbraw/zinc/29/34/74/1046293474.db2.gz JLUOHZNPGJJKSZ-GFCCVEGCSA-N 1 0 344.361 4.393 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000793567673 1046296451 /nfs/dbraw/zinc/29/64/51/1046296451.db2.gz MIAKUWCSJYIWSC-JOCHJYFZSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793609051 1046302078 /nfs/dbraw/zinc/30/20/78/1046302078.db2.gz MSYIAQCZFUGONC-UHFFFAOYSA-N 1 0 347.462 4.470 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cnc(C(C)(C)C)nc2)C2CC2)cc1 ZINC000793571022 1046307130 /nfs/dbraw/zinc/30/71/30/1046307130.db2.gz JNDOMNSDQAHECI-UHFFFAOYSA-N 1 0 338.499 4.005 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000793613258 1046312701 /nfs/dbraw/zinc/31/27/01/1046312701.db2.gz LSOOLVIPIGRXHV-GXTWGEPZSA-N 1 0 334.674 4.370 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1 ZINC000771933983 1046529285 /nfs/dbraw/zinc/52/92/85/1046529285.db2.gz PVIJWGLNFMXPRY-LJQANCHMSA-N 1 0 327.424 4.137 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000917089731 1046677496 /nfs/dbraw/zinc/67/74/96/1046677496.db2.gz IVHXRMOLLNIOGS-UHFFFAOYSA-N 1 0 342.508 4.129 20 10 EICDRO COc1cccc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1O ZINC000785559531 1046712495 /nfs/dbraw/zinc/71/24/95/1046712495.db2.gz LYVXYDJQAMZMFO-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)N(C)C)c1ccccc1O ZINC000785571940 1046724178 /nfs/dbraw/zinc/72/41/78/1046724178.db2.gz CSXCOYISSYOBLK-PBEJRMEISA-N 1 0 326.484 4.433 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000917210031 1046807311 /nfs/dbraw/zinc/80/73/11/1046807311.db2.gz BYVDROQUKAZDOR-QFIPXVFZSA-N 1 0 336.479 4.285 20 10 EICDRO COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(Cl)s2)c1O ZINC000761183529 1046846237 /nfs/dbraw/zinc/84/62/37/1046846237.db2.gz NEGZSMALSNXICL-UHFFFAOYSA-N 1 0 332.252 4.401 20 10 EICDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000786576371 1046852319 /nfs/dbraw/zinc/85/23/19/1046852319.db2.gz UBDKOJRPFXADOT-QFBILLFUSA-N 1 0 335.447 4.108 20 10 EICDRO COC[C@H]([NH2+]CCCSc1nccs1)c1ccc(Cl)cc1 ZINC000786832217 1046871774 /nfs/dbraw/zinc/87/17/74/1046871774.db2.gz XNMNMHIZPIVIRF-AWEZNQCLSA-N 1 0 342.917 4.256 20 10 EICDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175961 1047163485 /nfs/dbraw/zinc/16/34/85/1047163485.db2.gz GPUMFPSTDAMNBP-AUUYWEPGSA-N 1 0 332.875 4.180 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000917831501 1047173326 /nfs/dbraw/zinc/17/33/26/1047173326.db2.gz DBFVJJRTIGPDLA-IBGZPJMESA-N 1 0 338.495 4.229 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806176240 1047177136 /nfs/dbraw/zinc/17/71/36/1047177136.db2.gz KESYAIBZVSJFCX-HFBAOOFYSA-N 1 0 349.833 4.446 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000788500757 1047203503 /nfs/dbraw/zinc/20/35/03/1047203503.db2.gz CUUGHFGVALNWRY-QZTJIDSGSA-N 1 0 342.483 4.480 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788545875 1047220704 /nfs/dbraw/zinc/22/07/04/1047220704.db2.gz KGJKCNRHELKQOV-QGZVFWFLSA-N 1 0 329.875 4.358 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOCCc2ccccc2)c(O)c1 ZINC000788556452 1047221844 /nfs/dbraw/zinc/22/18/44/1047221844.db2.gz GARAOKHJPYROFM-SFHVURJKSA-N 1 0 327.468 4.309 20 10 EICDRO C[NH+](C)[C@H]1CCOc2c(NCc3c(O)cccc3Cl)cccc21 ZINC000788532873 1047229511 /nfs/dbraw/zinc/22/95/11/1047229511.db2.gz VKRFYNUOROJWFN-INIZCTEOSA-N 1 0 332.831 4.043 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c2ccccc2n1 ZINC000788615699 1047250541 /nfs/dbraw/zinc/25/05/41/1047250541.db2.gz WWBFSVOYDLDBSI-OAHLLOKOSA-N 1 0 336.435 4.417 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000788631862 1047255452 /nfs/dbraw/zinc/25/54/52/1047255452.db2.gz OITOPQUCCYDDJD-MPGHIAIKSA-N 1 0 331.431 4.311 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000788670020 1047267917 /nfs/dbraw/zinc/26/79/17/1047267917.db2.gz HSQYWBWWKHUPDO-HZPDHXFCSA-N 1 0 335.513 4.104 20 10 EICDRO C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788780001 1047314402 /nfs/dbraw/zinc/31/44/02/1047314402.db2.gz AEVWFLMPSIZKMV-ZDUSSCGKSA-N 1 0 344.421 4.184 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)OCc2ccccc2)c1 ZINC000789361258 1047409027 /nfs/dbraw/zinc/40/90/27/1047409027.db2.gz GETIIZZWFUBHDT-HZPDHXFCSA-N 1 0 329.440 4.047 20 10 EICDRO CCOC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)C ZINC000789589369 1047443052 /nfs/dbraw/zinc/44/30/52/1047443052.db2.gz PCBMZNGRGGOOCT-HXUWFJFHSA-N 1 0 343.467 4.122 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000898018120 1047533068 /nfs/dbraw/zinc/53/30/68/1047533068.db2.gz ZMBPAALIOVEODU-HNNXBMFYSA-N 1 0 338.442 4.079 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000790467221 1047600294 /nfs/dbraw/zinc/60/02/94/1047600294.db2.gz ANPOGSDNPXYHMT-UHFFFAOYSA-N 1 0 334.467 4.008 20 10 EICDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808235806 1047851529 /nfs/dbraw/zinc/85/15/29/1047851529.db2.gz GVVFYHZLZXXSML-UHFFFAOYSA-N 1 0 342.483 4.093 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CSc3ccccc32)c1O ZINC000824482669 1047873874 /nfs/dbraw/zinc/87/38/74/1047873874.db2.gz BLXSLCHDSFJMPI-LBPRGKRZSA-N 1 0 335.856 4.033 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c(F)cccc32)c1O ZINC000824468905 1047876950 /nfs/dbraw/zinc/87/69/50/1047876950.db2.gz RTNMDGNUGIEFBE-INIZCTEOSA-N 1 0 335.806 4.361 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C3CC3)ccc2F)c1O ZINC000824549091 1047883692 /nfs/dbraw/zinc/88/36/92/1047883692.db2.gz YFWRGZWCQIEGHA-UHFFFAOYSA-N 1 0 335.806 4.361 20 10 EICDRO COc1cccc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1O ZINC000824697125 1047897357 /nfs/dbraw/zinc/89/73/57/1047897357.db2.gz YZUVPVXNIAWCKV-KRWDZBQOSA-N 1 0 335.806 4.434 20 10 EICDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697159 1047898158 /nfs/dbraw/zinc/89/81/58/1047898158.db2.gz ZCRSKZLXUWHEIW-BHIFYINESA-N 1 0 342.527 4.192 20 10 EICDRO COC1(C[NH2+]Cc2ccccc2O)CCC(c2ccccc2)CC1 ZINC000808420164 1047898399 /nfs/dbraw/zinc/89/83/99/1047898399.db2.gz YKHXYQRCQHRZJT-UHFFFAOYSA-N 1 0 325.452 4.225 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715882 1047908819 /nfs/dbraw/zinc/90/88/19/1047908819.db2.gz QBJURSJQIXJLQS-VWPQPMDRSA-N 1 0 337.463 4.185 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC000808454874 1047918743 /nfs/dbraw/zinc/91/87/43/1047918743.db2.gz QHOAVQQBOXMDGT-HNNXBMFYSA-N 1 0 326.223 4.176 20 10 EICDRO Cc1csc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000824751086 1047939734 /nfs/dbraw/zinc/93/97/34/1047939734.db2.gz SNLSAFRNCPBNSP-UHFFFAOYSA-N 1 0 345.468 4.245 20 10 EICDRO c1cc(Sc2ccccn2)oc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000814291931 1047943269 /nfs/dbraw/zinc/94/32/69/1047943269.db2.gz FZSQWRGNDDTTJL-UHFFFAOYSA-N 1 0 338.432 4.051 20 10 EICDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1O ZINC001171067653 1047970197 /nfs/dbraw/zinc/97/01/97/1047970197.db2.gz YGGKWUZPNGTWIH-ZDUSSCGKSA-N 1 0 338.234 4.052 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cccc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000824856525 1047975801 /nfs/dbraw/zinc/97/58/01/1047975801.db2.gz YXAHTDBYJIYIJI-UHFFFAOYSA-N 1 0 328.456 4.034 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824893113 1047982952 /nfs/dbraw/zinc/98/29/52/1047982952.db2.gz KJXJUCADQRAECW-SJORKVTESA-N 1 0 335.875 4.135 20 10 EICDRO Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000825046876 1048024828 /nfs/dbraw/zinc/02/48/28/1048024828.db2.gz YWKIREVTJTXJSF-KRWDZBQOSA-N 1 0 346.396 4.481 20 10 EICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825084246 1048033394 /nfs/dbraw/zinc/03/33/94/1048033394.db2.gz MTKOJYRISVXURN-GFCCVEGCSA-N 1 0 332.831 4.163 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1O ZINC000808681070 1048033670 /nfs/dbraw/zinc/03/36/70/1048033670.db2.gz VYRQQTLKRYHWPV-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000808680393 1048034004 /nfs/dbraw/zinc/03/40/04/1048034004.db2.gz LBMSWLRBMILGHZ-ROUUACIJSA-N 1 0 332.532 4.200 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCn2cnc3ccccc32)c1O ZINC000808681950 1048036902 /nfs/dbraw/zinc/03/69/02/1048036902.db2.gz KOKDAMCRJZFEDG-ZDUSSCGKSA-N 1 0 329.831 4.055 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)c1 ZINC000825117485 1048040348 /nfs/dbraw/zinc/04/03/48/1048040348.db2.gz FLTUUYBWHSPPHN-KBXCAEBGSA-N 1 0 326.440 4.023 20 10 EICDRO Cc1cccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1O ZINC000825130141 1048042283 /nfs/dbraw/zinc/04/22/83/1048042283.db2.gz NVLXOCRRUUFKGQ-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000808676277 1048044638 /nfs/dbraw/zinc/04/46/38/1048044638.db2.gz JXLQQULKSQEUPH-AWEZNQCLSA-N 1 0 345.874 4.069 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000808675191 1048046206 /nfs/dbraw/zinc/04/62/06/1048046206.db2.gz YZOGXWSEHSWVPQ-NWDGAFQWSA-N 1 0 333.815 4.495 20 10 EICDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808676975 1048047623 /nfs/dbraw/zinc/04/76/23/1048047623.db2.gz UVILHGLIDIGQRR-AWEZNQCLSA-N 1 0 349.858 4.230 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1OC ZINC000808677871 1048048376 /nfs/dbraw/zinc/04/83/76/1048048376.db2.gz GJLFUFJUTGXXMO-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO COC(=O)CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC000825214942 1048049400 /nfs/dbraw/zinc/04/94/00/1048049400.db2.gz NRDROYICIMJTBN-QGZVFWFLSA-N 1 0 347.842 4.138 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825190760 1048052430 /nfs/dbraw/zinc/05/24/30/1048052430.db2.gz OOZUCTPBYZUQSK-BVGQSLNGSA-N 1 0 336.426 4.035 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000808707338 1048053895 /nfs/dbraw/zinc/05/38/95/1048053895.db2.gz MDCCRVKOBYVUGQ-LLVKDONJSA-N 1 0 347.821 4.231 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000808711419 1048059771 /nfs/dbraw/zinc/05/97/71/1048059771.db2.gz GEIPFYSCLWGCCT-LBPRGKRZSA-N 1 0 345.826 4.423 20 10 EICDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712916 1048060985 /nfs/dbraw/zinc/06/09/85/1048060985.db2.gz JGNBNKYTNKLFPT-DZGCQCFKSA-N 1 0 337.847 4.245 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)c1O ZINC000808713042 1048062318 /nfs/dbraw/zinc/06/23/18/1048062318.db2.gz KOBKEBCIOQVQTM-CQSZACIVSA-N 1 0 348.874 4.468 20 10 EICDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808700891 1048080171 /nfs/dbraw/zinc/08/01/71/1048080171.db2.gz MWJANXNSSDAPPZ-YVLOBAKFSA-N 1 0 343.920 4.084 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478421 1048098486 /nfs/dbraw/zinc/09/84/86/1048098486.db2.gz AKBVWIIBQSAIPE-CABCVRRESA-N 1 0 336.907 4.097 20 10 EICDRO Cc1cc(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1N(C)C ZINC000815030983 1048308626 /nfs/dbraw/zinc/30/86/26/1048308626.db2.gz JPLQFVKIKPRSQH-UHFFFAOYSA-N 1 0 330.516 4.375 20 10 EICDRO Cc1cc(C[NH+]2CC(c3nc4ccccc4s3)C2)ccc1N(C)C ZINC000815078723 1048321341 /nfs/dbraw/zinc/32/13/41/1048321341.db2.gz GLTOKCGEGUFVBN-UHFFFAOYSA-N 1 0 337.492 4.270 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000815119662 1048335365 /nfs/dbraw/zinc/33/53/65/1048335365.db2.gz CQAOWUXTUMAXJF-LJQANCHMSA-N 1 0 332.875 4.273 20 10 EICDRO CCc1nocc1C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000815120121 1048335684 /nfs/dbraw/zinc/33/56/84/1048335684.db2.gz BMBQEZPLLYGFJK-UHFFFAOYSA-N 1 0 327.472 4.296 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c(O)c1 ZINC000815166247 1048359535 /nfs/dbraw/zinc/35/95/35/1048359535.db2.gz DXBOIHBNKYRYQH-SHTZXODSSA-N 1 0 331.843 4.480 20 10 EICDRO CSc1ccc([C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)N(C)C)cc1 ZINC000815166881 1048361142 /nfs/dbraw/zinc/36/11/42/1048361142.db2.gz XOPUUKWCULKDSM-LJQANCHMSA-N 1 0 344.524 4.123 20 10 EICDRO COc1cc(Br)cc(C[NH2+]C2CC(C(C)(C)C)C2)c1O ZINC000815146379 1048367192 /nfs/dbraw/zinc/36/71/92/1048367192.db2.gz GJBCWDUOXNNEGM-UHFFFAOYSA-N 1 0 342.277 4.078 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815148416 1048368546 /nfs/dbraw/zinc/36/85/46/1048368546.db2.gz VSPQJYHTYHBODB-INIZCTEOSA-N 1 0 327.472 4.264 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1O ZINC000815166276 1048376610 /nfs/dbraw/zinc/37/66/10/1048376610.db2.gz GSBDDYBCUQKZCI-SHTZXODSSA-N 1 0 331.843 4.480 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2c(F)cccc2SC)c1O ZINC000809689257 1048476853 /nfs/dbraw/zinc/47/68/53/1048476853.db2.gz MDKMRZURPVEXIH-UHFFFAOYSA-N 1 0 341.835 4.205 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000809690411 1048477442 /nfs/dbraw/zinc/47/74/42/1048477442.db2.gz PUCHWZINQGOXQW-FQEVSTJZSA-N 1 0 347.405 4.463 20 10 EICDRO CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCSC2)cc1 ZINC000809731728 1048484410 /nfs/dbraw/zinc/48/44/10/1048484410.db2.gz OTENVEFQJHOSPT-QGZVFWFLSA-N 1 0 330.497 4.101 20 10 EICDRO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704225 1048489040 /nfs/dbraw/zinc/48/90/40/1048489040.db2.gz WMSDRLNCROIGNQ-UTKZUKDTSA-N 1 0 336.479 4.118 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c1O ZINC000809719670 1048497309 /nfs/dbraw/zinc/49/73/09/1048497309.db2.gz LQLLGYBCFBGKLR-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724595 1048500039 /nfs/dbraw/zinc/50/00/39/1048500039.db2.gz RCGSMAGYWWCPDI-LAUBAEHRSA-N 1 0 336.479 4.118 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)c1O ZINC000809769072 1048502069 /nfs/dbraw/zinc/50/20/69/1048502069.db2.gz GIVBZLZTNPFJLL-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(F)CCC1 ZINC000809769787 1048502796 /nfs/dbraw/zinc/50/27/96/1048502796.db2.gz KVRFHCWVNZPWLJ-UHFFFAOYSA-N 1 0 329.415 4.343 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1O ZINC000809739701 1048510885 /nfs/dbraw/zinc/51/08/85/1048510885.db2.gz BUGOAIPCBSZTAU-UHFFFAOYSA-N 1 0 330.186 4.137 20 10 EICDRO C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815578988 1048518837 /nfs/dbraw/zinc/51/88/37/1048518837.db2.gz BZHZARVAUQJGCZ-FPOVZHCZSA-N 1 0 325.452 4.082 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758283 1048520840 /nfs/dbraw/zinc/52/08/40/1048520840.db2.gz IPHUKFZFABFZSA-RTWAWAEBSA-N 1 0 342.527 4.316 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(O)c1 ZINC000815587992 1048526040 /nfs/dbraw/zinc/52/60/40/1048526040.db2.gz ZUCAIOVWNHVGHR-LSDHHAIUSA-N 1 0 346.421 4.217 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ncccc1F ZINC000815598307 1048530654 /nfs/dbraw/zinc/53/06/54/1048530654.db2.gz RHGZRFJZQCVSQT-LJQANCHMSA-N 1 0 336.410 4.390 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000815599153 1048532356 /nfs/dbraw/zinc/53/23/56/1048532356.db2.gz MFZOQWGUVQRSGV-INIZCTEOSA-N 1 0 335.451 4.260 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)c1O ZINC000809784134 1048532806 /nfs/dbraw/zinc/53/28/06/1048532806.db2.gz RJWDCZJBXYCJOO-GOSISDBHSA-N 1 0 329.440 4.383 20 10 EICDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815601019 1048533380 /nfs/dbraw/zinc/53/33/80/1048533380.db2.gz LMNNAPRCWZHPFD-RCZSKKKRSA-N 1 0 339.479 4.471 20 10 EICDRO C[C@@H](CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815598894 1048533472 /nfs/dbraw/zinc/53/34/72/1048533472.db2.gz FSMQTTSUGMQETB-XLIONFOSSA-N 1 0 327.468 4.064 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)cc1 ZINC000815573658 1048537509 /nfs/dbraw/zinc/53/75/09/1048537509.db2.gz PUCIBEBELPXRMR-HXUWFJFHSA-N 1 0 328.500 4.367 20 10 EICDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815626003 1048551003 /nfs/dbraw/zinc/55/10/03/1048551003.db2.gz RVPNYOKKMFCFCT-YFVAEKQCSA-N 1 0 339.479 4.328 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000844926946 1048551693 /nfs/dbraw/zinc/55/16/93/1048551693.db2.gz WZGZCCUMVCTROK-OAHLLOKOSA-N 1 0 331.287 4.129 20 10 EICDRO COC1(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC1 ZINC000815641599 1048567739 /nfs/dbraw/zinc/56/77/39/1048567739.db2.gz CMCFTOSFZDHJTG-MRXNPFEDSA-N 1 0 334.479 4.426 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)CC2)cc1 ZINC000810141903 1048646547 /nfs/dbraw/zinc/64/65/47/1048646547.db2.gz OVRYVJAXEAPGFZ-WMZOPIPTSA-N 1 0 328.500 4.246 20 10 EICDRO [NH3+]C1(c2ccc(NCc3cc(Br)ccc3O)cc2)CCC1 ZINC001171178396 1048650441 /nfs/dbraw/zinc/65/04/41/1048650441.db2.gz YWKHZPWKUORRED-UHFFFAOYSA-N 1 0 347.256 4.105 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810215213 1048684645 /nfs/dbraw/zinc/68/46/45/1048684645.db2.gz AMJBNRHINMGZKE-BONVTDFDSA-N 1 0 341.377 4.255 20 10 EICDRO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810214634 1048684754 /nfs/dbraw/zinc/68/47/54/1048684754.db2.gz DNXNNCWHZJTGQQ-CQSZACIVSA-N 1 0 331.378 4.147 20 10 EICDRO CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810214633 1048684894 /nfs/dbraw/zinc/68/48/94/1048684894.db2.gz DNXNNCWHZJTGQQ-AWEZNQCLSA-N 1 0 331.378 4.147 20 10 EICDRO CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810221069 1048690939 /nfs/dbraw/zinc/69/09/39/1048690939.db2.gz KLMPPZORGMAKCN-CJNGLKHVSA-N 1 0 347.421 4.496 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223979 1048692384 /nfs/dbraw/zinc/69/23/84/1048692384.db2.gz PRPHONARGDQHHP-WHOFXGATSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810224909 1048692953 /nfs/dbraw/zinc/69/29/53/1048692953.db2.gz ZTWOCZLNFGVFFE-CVEARBPZSA-N 1 0 339.357 4.185 20 10 EICDRO Oc1cc(O)c(C[NH+]2CCC(CCCc3ccccc3)CC2)c(O)c1 ZINC001144500717 1048699138 /nfs/dbraw/zinc/69/91/38/1048699138.db2.gz ZWGSFMPAICBHHT-UHFFFAOYSA-N 1 0 341.451 4.038 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810208222 1048705322 /nfs/dbraw/zinc/70/53/22/1048705322.db2.gz TYWCWXQZOSHSDM-WBVHZDCISA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc(C)cs1)c1ccc(C(F)(F)F)cc1O ZINC000810209996 1048706139 /nfs/dbraw/zinc/70/61/39/1048706139.db2.gz YHZAZEYFLWMAIT-CYBMUJFWSA-N 1 0 344.402 4.459 20 10 EICDRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(C(F)(F)F)cc1O ZINC000810210652 1048708210 /nfs/dbraw/zinc/70/82/10/1048708210.db2.gz AWIXUCCPPHCENH-OAHLLOKOSA-N 1 0 341.377 4.129 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(C(F)(F)F)cc1O ZINC000810237282 1048720999 /nfs/dbraw/zinc/72/09/99/1048720999.db2.gz BEYGKVPTURJCHM-CQDKDKBSSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810237302 1048721178 /nfs/dbraw/zinc/72/11/78/1048721178.db2.gz FVONQISMUPQVOJ-INIZCTEOSA-N 1 0 338.373 4.398 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000810247611 1048727106 /nfs/dbraw/zinc/72/71/06/1048727106.db2.gz KUMXUHDPXFZYAE-HBFSDRIKSA-N 1 0 345.870 4.253 20 10 EICDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050493 1048736137 /nfs/dbraw/zinc/73/61/37/1048736137.db2.gz DMOQBTJJIRZLAC-LJQANCHMSA-N 1 0 343.398 4.080 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000845971869 1048769758 /nfs/dbraw/zinc/76/97/58/1048769758.db2.gz GFDGYOOELMEJPF-JTQLQIEISA-N 1 0 343.395 4.300 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1OC(C)C ZINC000846059092 1048796231 /nfs/dbraw/zinc/79/62/31/1048796231.db2.gz XYUOIUWTMLBLHW-UHFFFAOYSA-N 1 0 335.831 4.131 20 10 EICDRO Cc1cc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000920838733 1048799621 /nfs/dbraw/zinc/79/96/21/1048799621.db2.gz VCHPLSPZQQJGJK-UHFFFAOYSA-N 1 0 338.495 4.080 20 10 EICDRO CCCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000920868381 1048805659 /nfs/dbraw/zinc/80/56/59/1048805659.db2.gz UAKFNXWEFMKILB-SFHVURJKSA-N 1 0 338.495 4.327 20 10 EICDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2ccccc2c1O ZINC000816482510 1048812622 /nfs/dbraw/zinc/81/26/22/1048812622.db2.gz IMNQZMLMEYJTPT-UHFFFAOYSA-N 1 0 343.430 4.363 20 10 EICDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816502849 1048821772 /nfs/dbraw/zinc/82/17/72/1048821772.db2.gz SPFJXHMDMLECDM-UHFFFAOYSA-N 1 0 341.451 4.099 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516501 1048824103 /nfs/dbraw/zinc/82/41/03/1048824103.db2.gz HLSSEAGQDKVUOG-GOSISDBHSA-N 1 0 325.433 4.180 20 10 EICDRO CCOC(=O)CCC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816517354 1048824477 /nfs/dbraw/zinc/82/44/77/1048824477.db2.gz NAMYDVPWNMULNZ-UHFFFAOYSA-N 1 0 341.451 4.101 20 10 EICDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157362 1048824649 /nfs/dbraw/zinc/82/46/49/1048824649.db2.gz LFGQSQYDLUVMAH-LBPRGKRZSA-N 1 0 335.831 4.304 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)ccc2ccccc12 ZINC000816539843 1048826626 /nfs/dbraw/zinc/82/66/26/1048826626.db2.gz VMPDDRYGSOJIKM-UHFFFAOYSA-N 1 0 347.393 4.160 20 10 EICDRO Oc1c(C[NH2+]C2CCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816538071 1048826798 /nfs/dbraw/zinc/82/67/98/1048826798.db2.gz DDWNHEDUKVVKRG-UHFFFAOYSA-N 1 0 332.447 4.304 20 10 EICDRO Oc1c(C[NH2+]Cc2ccn(-c3ccccc3)n2)ccc2ccccc21 ZINC000816542576 1048826897 /nfs/dbraw/zinc/82/68/97/1048826897.db2.gz USRAWYIKOBDXDX-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2N2CCCCC2)c1O ZINC000846161315 1048827259 /nfs/dbraw/zinc/82/72/59/1048827259.db2.gz AZGHLUFQVOWMQD-INIZCTEOSA-N 1 0 340.467 4.242 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)c1O ZINC000846165050 1048827298 /nfs/dbraw/zinc/82/72/98/1048827298.db2.gz MNUGDFRWXFRVOZ-JMERFSKESA-N 1 0 349.858 4.481 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1O ZINC000846161815 1048827373 /nfs/dbraw/zinc/82/73/73/1048827373.db2.gz HFLJVKRSYDGNEW-CQSZACIVSA-N 1 0 329.440 4.429 20 10 EICDRO Oc1c(C[NH2+]CCc2ccn(-c3ccccc3)n2)ccc2ccccc21 ZINC000816545006 1048827367 /nfs/dbraw/zinc/82/73/67/1048827367.db2.gz ZTKMMFWWFHSOBW-UHFFFAOYSA-N 1 0 343.430 4.063 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000846169081 1048828289 /nfs/dbraw/zinc/82/82/89/1048828289.db2.gz FSZMPSKSRLXLQJ-DIFFPNOSSA-N 1 0 333.378 4.407 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)c1O ZINC000846167611 1048828705 /nfs/dbraw/zinc/82/87/05/1048828705.db2.gz LPDKYMONHCSWIY-VIFPVBQESA-N 1 0 327.758 4.183 20 10 EICDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142095 1048830384 /nfs/dbraw/zinc/83/03/84/1048830384.db2.gz XAXLPQYHSFQJAR-HNNXBMFYSA-N 1 0 329.440 4.431 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141626 1048830418 /nfs/dbraw/zinc/83/04/18/1048830418.db2.gz LAMPGWRNGVRJGD-MLGOLLRUSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(OC(C)C)cc2)c1O ZINC000846137705 1048830936 /nfs/dbraw/zinc/83/09/36/1048830936.db2.gz GBXNOGQBNCXMJY-HNNXBMFYSA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3s2)c1O ZINC000846144306 1048831793 /nfs/dbraw/zinc/83/17/93/1048831793.db2.gz KHNOPYPUZNWDST-NWDGAFQWSA-N 1 0 328.437 4.422 20 10 EICDRO CC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)Oc1ccccc1F ZINC000846144380 1048832163 /nfs/dbraw/zinc/83/21/63/1048832163.db2.gz CPCUDDKEVIMECT-ZIAGYGMSSA-N 1 0 333.403 4.048 20 10 EICDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816585054 1048832606 /nfs/dbraw/zinc/83/26/06/1048832606.db2.gz AEFBWTMZDRNERA-KRWDZBQOSA-N 1 0 339.357 4.089 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208150 1048832582 /nfs/dbraw/zinc/83/25/82/1048832582.db2.gz WBPFJRGVVGQTCT-PXNSSMCTSA-N 1 0 349.478 4.377 20 10 EICDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554768 1048833512 /nfs/dbraw/zinc/83/35/12/1048833512.db2.gz IQTHPPFBSIRCSK-HNNXBMFYSA-N 1 0 337.419 4.111 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)c1O ZINC000846146663 1048833567 /nfs/dbraw/zinc/83/35/67/1048833567.db2.gz SULQJDUOPYTCGQ-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO Oc1c(C[NH2+]Cc2nc(C(F)(F)F)cs2)ccc2ccccc21 ZINC000816552963 1048833623 /nfs/dbraw/zinc/83/36/23/1048833623.db2.gz CQXPJMUBYBIKHK-UHFFFAOYSA-N 1 0 338.354 4.311 20 10 EICDRO Oc1c(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816558298 1048834054 /nfs/dbraw/zinc/83/40/54/1048834054.db2.gz SVHJTEXGVHZMCQ-NRFANRHFSA-N 1 0 333.431 4.149 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)Oc1ccccc1F ZINC000816554409 1048834226 /nfs/dbraw/zinc/83/42/26/1048834226.db2.gz XXBSQUVEBOJMNO-CQSZACIVSA-N 1 0 325.383 4.242 20 10 EICDRO Oc1c(C[NH2+]Cc2nnc(-c3ccccc3)s2)ccc2ccccc21 ZINC000816556816 1048834293 /nfs/dbraw/zinc/83/42/93/1048834293.db2.gz UWJORLHMLDEOBN-UHFFFAOYSA-N 1 0 347.443 4.354 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(C)cc1O ZINC000846200945 1048841505 /nfs/dbraw/zinc/84/15/05/1048841505.db2.gz JTHCATIPWYLJBI-POAQFYNOSA-N 1 0 326.440 4.057 20 10 EICDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1O ZINC000816601133 1048842521 /nfs/dbraw/zinc/84/25/21/1048842521.db2.gz SMQWJVQDOGUEMY-UHFFFAOYSA-N 1 0 336.391 4.128 20 10 EICDRO C[C@H](c1ccccc1)[N@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846839429 1048916588 /nfs/dbraw/zinc/91/65/88/1048916588.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 1 0 349.478 4.322 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCC1(O)CCC1 ZINC000817587420 1049015191 /nfs/dbraw/zinc/01/51/91/1049015191.db2.gz WMRCJPZOLXMYHY-FQEVSTJZSA-N 1 0 339.479 4.351 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCO1 ZINC000817587589 1049018074 /nfs/dbraw/zinc/01/80/74/1049018074.db2.gz ZDDPBWNUNYLMDY-CGTJXYLNSA-N 1 0 334.479 4.424 20 10 EICDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943847 1049060421 /nfs/dbraw/zinc/06/04/21/1049060421.db2.gz VZVHTEAJGJNTSP-BVGQSLNGSA-N 1 0 329.513 4.042 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939952 1049061540 /nfs/dbraw/zinc/06/15/40/1049061540.db2.gz DLJKWOWCCUKLSL-RDTXWAMCSA-N 1 0 339.508 4.318 20 10 EICDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939950 1049061714 /nfs/dbraw/zinc/06/17/14/1049061714.db2.gz DLJKWOWCCUKLSL-KSSFIOAISA-N 1 0 339.508 4.318 20 10 EICDRO Nc1ccc(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)cc1 ZINC000817955648 1049065851 /nfs/dbraw/zinc/06/58/51/1049065851.db2.gz DQAOAJZMJZELMH-SFHVURJKSA-N 1 0 345.284 4.315 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817956928 1049066682 /nfs/dbraw/zinc/06/66/82/1049066682.db2.gz GBMDONSBPONQFT-IAQYHMDHSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1OC(F)F ZINC000817955941 1049066698 /nfs/dbraw/zinc/06/66/98/1049066698.db2.gz LWBSNBAPLLETPQ-LLVKDONJSA-N 1 0 340.801 4.417 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)c(F)c1 ZINC000817956269 1049067500 /nfs/dbraw/zinc/06/75/00/1049067500.db2.gz VGZRPAIMJFVDEJ-NSHDSACASA-N 1 0 337.236 4.064 20 10 EICDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000817962344 1049070694 /nfs/dbraw/zinc/07/06/94/1049070694.db2.gz IASUSLIBYRNJHH-VXGBXAGGSA-N 1 0 338.373 4.282 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966635 1049072005 /nfs/dbraw/zinc/07/20/05/1049072005.db2.gz SDTFNNUNRPGVCS-BBRMVZONSA-N 1 0 331.287 4.129 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c(O)c1 ZINC000817975077 1049074346 /nfs/dbraw/zinc/07/43/46/1049074346.db2.gz IIZJCPDIGIMAHY-CXAGYDPISA-N 1 0 326.440 4.236 20 10 EICDRO CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817980682 1049078273 /nfs/dbraw/zinc/07/82/73/1049078273.db2.gz MPTNXBIRYRXWFR-DOMZBBRYSA-N 1 0 331.287 4.272 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000818116031 1049090938 /nfs/dbraw/zinc/09/09/38/1049090938.db2.gz FZIJHBJNSAVIKJ-CABCVRRESA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C/C(C)=C\c3ccccc3)C2)cc1 ZINC000818222674 1049113555 /nfs/dbraw/zinc/11/35/55/1049113555.db2.gz ZUCRAOHAFNPAKX-BKHFDQEPSA-N 1 0 336.479 4.215 20 10 EICDRO COc1cccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)c1O ZINC000818231190 1049117077 /nfs/dbraw/zinc/11/70/77/1049117077.db2.gz ICMAPMWONBMASW-UHFFFAOYSA-N 1 0 335.831 4.088 20 10 EICDRO Oc1c(Cl)cccc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000811508356 1049119757 /nfs/dbraw/zinc/11/97/57/1049119757.db2.gz NBEAVHGTNATCHH-MRXNPFEDSA-N 1 0 328.843 4.030 20 10 EICDRO Cc1cccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1O ZINC000811512268 1049124251 /nfs/dbraw/zinc/12/42/51/1049124251.db2.gz JSTPXDWYUQHPHN-UHFFFAOYSA-N 1 0 340.398 4.361 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(C)oc3C)C2)cc1 ZINC000818342659 1049134919 /nfs/dbraw/zinc/13/49/19/1049134919.db2.gz UHRUNUGJMJKLIU-NVXWUHKLSA-N 1 0 328.456 4.082 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818342714 1049135456 /nfs/dbraw/zinc/13/54/56/1049135456.db2.gz UVLGOCSMYNTEAQ-CVEARBPZSA-N 1 0 328.456 4.028 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3sccc3C)C2)cc1 ZINC000818345474 1049138449 /nfs/dbraw/zinc/13/84/49/1049138449.db2.gz UYZOPFZWOXXEIY-CVEARBPZSA-N 1 0 330.497 4.242 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccs1 ZINC000818345761 1049139684 /nfs/dbraw/zinc/13/96/84/1049139684.db2.gz XQOGUCHDFCBHFJ-CRAIPNDOSA-N 1 0 330.497 4.324 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4sccc43)C2)cc1 ZINC000818344348 1049139733 /nfs/dbraw/zinc/13/97/33/1049139733.db2.gz LYUKLFLITSXYKT-BEFAXECRSA-N 1 0 342.508 4.250 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C2)cc1 ZINC000818344367 1049140477 /nfs/dbraw/zinc/14/04/77/1049140477.db2.gz MJGVSIZUHZTQBY-JKSUJKDBSA-N 1 0 336.545 4.031 20 10 EICDRO CCc1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811798019 1049270754 /nfs/dbraw/zinc/27/07/54/1049270754.db2.gz GGVISYBMQCEKKN-SFHVURJKSA-N 1 0 341.499 4.204 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C(C)C ZINC000811789499 1049278555 /nfs/dbraw/zinc/27/85/55/1049278555.db2.gz CYAKVMXVWKNQTB-WOJBJXKFSA-N 1 0 329.484 4.358 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)CCC2 ZINC001170943554 1049429804 /nfs/dbraw/zinc/42/98/04/1049429804.db2.gz LVXAZKSNJBCQSN-INIZCTEOSA-N 1 0 343.854 4.057 20 10 EICDRO Oc1c(Br)cccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812345518 1049446773 /nfs/dbraw/zinc/44/67/73/1049446773.db2.gz CFANKKGFNLPCEC-UHFFFAOYSA-N 1 0 333.229 4.041 20 10 EICDRO Cc1cccc(NCC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000773046090 1049549611 /nfs/dbraw/zinc/54/96/11/1049549611.db2.gz ZXNNLXMQSULVKN-GOSISDBHSA-N 1 0 338.499 4.143 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000812735648 1049555310 /nfs/dbraw/zinc/55/53/10/1049555310.db2.gz DVSFTBJNCZLYOL-IAGOWNOFSA-N 1 0 342.458 4.325 20 10 EICDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000773066600 1049558989 /nfs/dbraw/zinc/55/89/89/1049558989.db2.gz VVCPLQSDQNNQKM-XMSQKQJNSA-N 1 0 338.495 4.370 20 10 EICDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773066971 1049561559 /nfs/dbraw/zinc/56/15/59/1049561559.db2.gz GWHZBZUBTDGHLQ-KRWDZBQOSA-N 1 0 342.458 4.130 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773088594 1049574819 /nfs/dbraw/zinc/57/48/19/1049574819.db2.gz PAPPWXAQKVXOKE-AWEZNQCLSA-N 1 0 331.410 4.201 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@@H]1CCCO1 ZINC000773107567 1049585680 /nfs/dbraw/zinc/58/56/80/1049585680.db2.gz XRURKNAPIRHDBG-BPAFIMBUSA-N 1 0 334.479 4.424 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000773136534 1049598362 /nfs/dbraw/zinc/59/83/62/1049598362.db2.gz NXFNQGVWQOMCQX-LIRZEXBASA-N 1 0 336.570 4.173 20 10 EICDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000773131220 1049599572 /nfs/dbraw/zinc/59/95/72/1049599572.db2.gz KYNPELFFBJCKHO-CQSZACIVSA-N 1 0 331.529 4.400 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1sccc1Br ZINC000037233652 1049698699 /nfs/dbraw/zinc/69/86/99/1049698699.db2.gz KLGBGIBFVAOSHF-NSHDSACASA-N 1 0 339.302 4.427 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(F)cc1F ZINC000179638578 1049707856 /nfs/dbraw/zinc/70/78/56/1049707856.db2.gz SBGFPTWBOZQYMQ-QGZVFWFLSA-N 1 0 337.341 4.253 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000813330835 1049753507 /nfs/dbraw/zinc/75/35/07/1049753507.db2.gz HJNCYIQIYCETQO-CYBMUJFWSA-N 1 0 344.411 4.283 20 10 EICDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001171560324 1049756950 /nfs/dbraw/zinc/75/69/50/1049756950.db2.gz RDDUWGUMTOULER-MRXNPFEDSA-N 1 0 346.268 4.110 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)C2)cc1 ZINC000822494242 1049762834 /nfs/dbraw/zinc/76/28/34/1049762834.db2.gz KLRPATSBZOAGEL-GPMSIDNRSA-N 1 0 348.556 4.031 20 10 EICDRO CCOCc1cc(C[NH2+]CCOc2cc(C)cc(C)c2)ccc1OC ZINC000747853058 1049764538 /nfs/dbraw/zinc/76/45/38/1049764538.db2.gz WIPGXLZXEODLLI-UHFFFAOYSA-N 1 0 343.467 4.017 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170706314 1049768889 /nfs/dbraw/zinc/76/88/89/1049768889.db2.gz BAQWIFUEQLJFCQ-GOSISDBHSA-N 1 0 330.422 4.020 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)ccc1OC ZINC000747853756 1049769356 /nfs/dbraw/zinc/76/93/56/1049769356.db2.gz GTJJBULAXASBDP-KDOFPFPSSA-N 1 0 329.440 4.238 20 10 EICDRO CCOCc1cc(C[NH2+]CCc2ccc(C)cc2C)ccc1OC ZINC000747855065 1049779127 /nfs/dbraw/zinc/77/91/27/1049779127.db2.gz YYUCFSSJEIKZCG-UHFFFAOYSA-N 1 0 327.468 4.181 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170995944 1049797177 /nfs/dbraw/zinc/79/71/77/1049797177.db2.gz GUDOKDYCPZNGCN-FQEVSTJZSA-N 1 0 338.470 4.415 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)C2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC001171932948 1049829852 /nfs/dbraw/zinc/82/98/52/1049829852.db2.gz MVQQSUXRILQQJQ-UHFFFAOYSA-N 1 0 346.515 4.085 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(O)c1C ZINC000813884303 1049831897 /nfs/dbraw/zinc/83/18/97/1049831897.db2.gz HIDIEDNDDCGOPK-NJSLBKSFSA-N 1 0 331.481 4.424 20 10 EICDRO C[N@H+](Cc1cnc(CCc2ccccc2)s1)Cc1ccccc1O ZINC000823408434 1049845525 /nfs/dbraw/zinc/84/55/25/1049845525.db2.gz GTJWSSBEZKVBLV-UHFFFAOYSA-N 1 0 338.476 4.266 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1F ZINC000823736919 1049871887 /nfs/dbraw/zinc/87/18/87/1049871887.db2.gz OWNHMTNZRSQUBU-CQSZACIVSA-N 1 0 338.348 4.086 20 10 EICDRO C[C@@H]1CC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H](C)O1 ZINC000824059711 1049895795 /nfs/dbraw/zinc/89/57/95/1049895795.db2.gz ZZRTWERUEUBLNC-HZPDHXFCSA-N 1 0 344.524 4.430 20 10 EICDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824142177 1049900023 /nfs/dbraw/zinc/90/00/23/1049900023.db2.gz LEFRUVKLMAASFN-IBGZPJMESA-N 1 0 344.524 4.385 20 10 EICDRO Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180721134 1049933018 /nfs/dbraw/zinc/93/30/18/1049933018.db2.gz LVCIYCKLJLGHOE-ROUUACIJSA-N 1 0 329.440 4.162 20 10 EICDRO Cc1cccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1O ZINC000181379728 1050111276 /nfs/dbraw/zinc/11/12/76/1050111276.db2.gz XNFBTAWEPNPDDB-UHFFFAOYSA-N 1 0 339.435 4.031 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1C ZINC001177434680 1050219815 /nfs/dbraw/zinc/21/98/15/1050219815.db2.gz ZSIQUCUOFTWDBZ-UHFFFAOYSA-N 1 0 349.478 4.318 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](c1ccc(C)cc1)N(C)C ZINC001177548533 1050251498 /nfs/dbraw/zinc/25/14/98/1050251498.db2.gz IKHQAVGUXIGFQY-JOCHJYFZSA-N 1 0 335.495 4.188 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC001178156833 1050390293 /nfs/dbraw/zinc/39/02/93/1050390293.db2.gz HPZUIDRYCKUQCM-PKOBYXMFSA-N 1 0 329.532 4.028 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173483607 1050463308 /nfs/dbraw/zinc/46/33/08/1050463308.db2.gz SWYUFMFVRXWWCF-UHFFFAOYSA-N 1 0 342.433 4.164 20 10 EICDRO COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cc3ccccc3cc2O)cc1 ZINC001173721352 1050554634 /nfs/dbraw/zinc/55/46/34/1050554634.db2.gz PWHVNNMOPKXWCB-OAHLLOKOSA-N 1 0 349.430 4.053 20 10 EICDRO COCC1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCCCC1 ZINC001178868561 1050575517 /nfs/dbraw/zinc/57/55/17/1050575517.db2.gz ULIBWQQJIGZDHD-UHFFFAOYSA-N 1 0 349.515 4.385 20 10 EICDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000763522637 1050614384 /nfs/dbraw/zinc/61/43/84/1050614384.db2.gz FMPVWFFEAUZJOU-MGPUTAFESA-N 1 0 337.419 4.254 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)cc1C ZINC001179223026 1050651639 /nfs/dbraw/zinc/65/16/39/1050651639.db2.gz ZRFMGTLDDMQVAR-OAQYLSRUSA-N 1 0 343.467 4.270 20 10 EICDRO CCCOc1ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)cc1C ZINC001179248151 1050659509 /nfs/dbraw/zinc/65/95/09/1050659509.db2.gz OCVRDEJOCUCCCF-UHFFFAOYSA-N 1 0 347.499 4.385 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1 ZINC001179473063 1050703616 /nfs/dbraw/zinc/70/36/16/1050703616.db2.gz LARCRVUPBREPFT-AQYVVDRMSA-N 1 0 338.495 4.228 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCSC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001179673537 1050756502 /nfs/dbraw/zinc/75/65/02/1050756502.db2.gz IGVHILZKJFCREB-CQSZACIVSA-N 1 0 337.529 4.462 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC001179931572 1050822222 /nfs/dbraw/zinc/82/22/22/1050822222.db2.gz OMVHOPRLNNOJAI-JOCHJYFZSA-N 1 0 340.511 4.080 20 10 EICDRO CCc1cccc(CN(CC[NH+](CC)CC)CCC(F)(F)F)c1O ZINC001179919856 1050836450 /nfs/dbraw/zinc/83/64/50/1050836450.db2.gz PSENGVRMVQYSDB-UHFFFAOYSA-N 1 0 346.437 4.051 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c(O)c1 ZINC001180043149 1050863759 /nfs/dbraw/zinc/86/37/59/1050863759.db2.gz OTBPJXKVTFTOAG-SFHVURJKSA-N 1 0 325.452 4.306 20 10 EICDRO COC(=O)c1c(C[N@@H+]2CCC[C@H]2CC(C)C)c2cc(F)ccc2n1C ZINC001180128940 1050882286 /nfs/dbraw/zinc/88/22/86/1050882286.db2.gz DPHIRPJGMJEJIL-HNNXBMFYSA-N 1 0 346.446 4.115 20 10 EICDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098854 1050886527 /nfs/dbraw/zinc/88/65/27/1050886527.db2.gz PUNVREBDPLIWKT-ZWKOTPCHSA-N 1 0 339.426 4.230 20 10 EICDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117233 1050890890 /nfs/dbraw/zinc/89/08/90/1050890890.db2.gz UXMSUHYNOBRSRD-OAHLLOKOSA-N 1 0 335.806 4.010 20 10 EICDRO CC[N@H+](CCc1cccs1)Cc1ccc(Br)cc1O ZINC001180194343 1050923996 /nfs/dbraw/zinc/92/39/96/1050923996.db2.gz CRLJSISTUYWEQY-UHFFFAOYSA-N 1 0 340.286 4.281 20 10 EICDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC001180194880 1050926095 /nfs/dbraw/zinc/92/60/95/1050926095.db2.gz NAAUCZFYXRLMOE-FPOVZHCZSA-N 1 0 325.452 4.300 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348888 1050962570 /nfs/dbraw/zinc/96/25/70/1050962570.db2.gz FJGHHOBGFROLPT-MAUKXSAKSA-N 1 0 344.886 4.046 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](Cc2ccccc2)OC)cc1 ZINC001180359448 1050967626 /nfs/dbraw/zinc/96/76/26/1050967626.db2.gz MPDNXEWPPSSVKT-QFIPXVFZSA-N 1 0 340.511 4.222 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1O ZINC001180521168 1051016063 /nfs/dbraw/zinc/01/60/63/1051016063.db2.gz JNIHFGVOGRDGHR-QGZVFWFLSA-N 1 0 331.843 4.261 20 10 EICDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001180706989 1051068783 /nfs/dbraw/zinc/06/87/83/1051068783.db2.gz CPPIQCGACDQCNL-UMVBOHGHSA-N 1 0 346.446 4.018 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@@]2(C)CCCc3ccccc32)cc1F ZINC001180778633 1051083359 /nfs/dbraw/zinc/08/33/59/1051083359.db2.gz GBJNUHNJFYLXOD-FQEVSTJZSA-N 1 0 330.422 4.372 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](CC)c1ccccc1O)O[C@@H](C)C2 ZINC000183349171 1051094894 /nfs/dbraw/zinc/09/48/94/1051094894.db2.gz LUUMCYPTQKMUHK-KSSFIOAISA-N 1 0 341.451 4.355 20 10 EICDRO C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183504384 1051137397 /nfs/dbraw/zinc/13/73/97/1051137397.db2.gz HPLHTCLQQNTFER-HZPDHXFCSA-N 1 0 348.487 4.080 20 10 EICDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183500131 1051138640 /nfs/dbraw/zinc/13/86/40/1051138640.db2.gz SCKMDOUSGXTYEI-AWEZNQCLSA-N 1 0 329.440 4.038 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc3ccccc3c2)c1 ZINC000775372000 1051142036 /nfs/dbraw/zinc/14/20/36/1051142036.db2.gz XJBDKMZBLNXDAC-HNNXBMFYSA-N 1 0 337.419 4.284 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)c(O)c1OC ZINC001181090003 1051145920 /nfs/dbraw/zinc/14/59/20/1051145920.db2.gz XJAILLFVAWYLPW-HNNXBMFYSA-N 1 0 333.472 4.202 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001181088486 1051146896 /nfs/dbraw/zinc/14/68/96/1051146896.db2.gz PGGNNIRRVZVDGN-KRWDZBQOSA-N 1 0 347.499 4.089 20 10 EICDRO CCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)c1ccccc1 ZINC001181419198 1051219386 /nfs/dbraw/zinc/21/93/86/1051219386.db2.gz WCEOWXOWGMLRDK-IEBWSBKVSA-N 1 0 333.859 4.346 20 10 EICDRO CCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H](O)c1ccccc1 ZINC001181419197 1051220023 /nfs/dbraw/zinc/22/00/23/1051220023.db2.gz WCEOWXOWGMLRDK-HKUYNNGSSA-N 1 0 333.859 4.346 20 10 EICDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000775416583 1051293074 /nfs/dbraw/zinc/29/30/74/1051293074.db2.gz HVDCZUJTCQSNJY-RIFZZMRRSA-N 1 0 334.479 4.282 20 10 EICDRO CC[N@H+](CCCOC(C)(C)C)Cc1cc(Br)ccc1O ZINC001191268755 1051413520 /nfs/dbraw/zinc/41/35/20/1051413520.db2.gz LRWGABYIPBNYAW-UHFFFAOYSA-N 1 0 344.293 4.182 20 10 EICDRO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC001182335074 1051518888 /nfs/dbraw/zinc/51/88/88/1051518888.db2.gz SHROEWWJQICZTM-OAQYLSRUSA-N 1 0 342.527 4.048 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Cl)ccc1O ZINC000775491213 1051576899 /nfs/dbraw/zinc/57/68/99/1051576899.db2.gz CGIAHHXDTFZIQY-QGZVFWFLSA-N 1 0 345.874 4.282 20 10 EICDRO CC[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493483 1051604421 /nfs/dbraw/zinc/60/44/21/1051604421.db2.gz TVTZBEYMFKIOOB-DOTOQJQBSA-N 1 0 335.879 4.398 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000774472021 1051604717 /nfs/dbraw/zinc/60/47/17/1051604717.db2.gz LBENUTWCSMJSJE-FXAWDEMLSA-N 1 0 344.499 4.013 20 10 EICDRO CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Cl)ccc1O ZINC000775496335 1051614726 /nfs/dbraw/zinc/61/47/26/1051614726.db2.gz GNNOBYRJKIIENS-SFHVURJKSA-N 1 0 330.859 4.102 20 10 EICDRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483408 1051614904 /nfs/dbraw/zinc/61/49/04/1051614904.db2.gz KGHBTFADFOJBRU-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1O ZINC000775498164 1051617963 /nfs/dbraw/zinc/61/79/63/1051617963.db2.gz XSSWWDDZZMTYBU-KRWDZBQOSA-N 1 0 341.451 4.182 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)C2)cc1 ZINC001182508340 1051621313 /nfs/dbraw/zinc/62/13/13/1051621313.db2.gz LMMIHTQDSWJHKL-QKLQHJQFSA-N 1 0 330.516 4.326 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775506728 1051646826 /nfs/dbraw/zinc/64/68/26/1051646826.db2.gz CSJGXXABTZXTJT-VOZBZGINSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccccc1O ZINC000775514094 1051662535 /nfs/dbraw/zinc/66/25/35/1051662535.db2.gz VTHCIRACBVUINX-RTBURBONSA-N 1 0 335.451 4.150 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775523908 1051698467 /nfs/dbraw/zinc/69/84/67/1051698467.db2.gz AYFARGCLTAKOLG-HOTGVXAUSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000775525179 1051705107 /nfs/dbraw/zinc/70/51/07/1051705107.db2.gz YFWOLDRMPHIMAH-DZKIICNBSA-N 1 0 342.277 4.153 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000775526902 1051717069 /nfs/dbraw/zinc/71/70/69/1051717069.db2.gz NLZJLBLULFKNCQ-NVXWUHKLSA-N 1 0 340.250 4.473 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001182856648 1051723976 /nfs/dbraw/zinc/72/39/76/1051723976.db2.gz WUHOFYFOMCOCGH-AQNXPRMDSA-N 1 0 336.479 4.200 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000775532261 1051748093 /nfs/dbraw/zinc/74/80/93/1051748093.db2.gz ULCAQVMAGQQVJO-PJODQICGSA-N 1 0 342.277 4.011 20 10 EICDRO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC001183023019 1051772463 /nfs/dbraw/zinc/77/24/63/1051772463.db2.gz CFRJHUVOZFOSSH-UHFFFAOYSA-N 1 0 341.879 4.235 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(Cl)ccc1O ZINC000775540539 1051789622 /nfs/dbraw/zinc/78/96/22/1051789622.db2.gz LQPUUXCEINPNDP-PLYYQAHHSA-N 1 0 335.875 4.434 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC001183355948 1051828658 /nfs/dbraw/zinc/82/86/58/1051828658.db2.gz ZGDPWBAIYBBYJK-XHSDSOJGSA-N 1 0 348.487 4.078 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552897 1051831246 /nfs/dbraw/zinc/83/12/46/1051831246.db2.gz YKOYROVEXKJSFX-ZIAGYGMSSA-N 1 0 339.769 4.498 20 10 EICDRO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001183582184 1051869981 /nfs/dbraw/zinc/86/99/81/1051869981.db2.gz JETHSOMZTSWFAD-INIZCTEOSA-N 1 0 347.842 4.366 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000071966768 1051880679 /nfs/dbraw/zinc/88/06/79/1051880679.db2.gz BRDOLMMJURHECG-IBGZPJMESA-N 1 0 331.843 4.236 20 10 EICDRO Oc1c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc2ccccc21 ZINC001183662206 1051885306 /nfs/dbraw/zinc/88/53/06/1051885306.db2.gz NMTGECZRBIJEIV-IBGZPJMESA-N 1 0 337.394 4.338 20 10 EICDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC001193248590 1051890798 /nfs/dbraw/zinc/89/07/98/1051890798.db2.gz FWPGHAPHCFUGMI-FQEVSTJZSA-N 1 0 326.484 4.118 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC001183939498 1051922306 /nfs/dbraw/zinc/92/23/06/1051922306.db2.gz NEAXNJAMRUQKJG-OAQYLSRUSA-N 1 0 325.452 4.309 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)c1O ZINC001184338519 1051995507 /nfs/dbraw/zinc/99/55/07/1051995507.db2.gz MRZICUCFZZERPD-LSDHHAIUSA-N 1 0 331.843 4.023 20 10 EICDRO CCCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001193837926 1051996337 /nfs/dbraw/zinc/99/63/37/1051996337.db2.gz BHLRIMMIAKXVHG-UHFFFAOYSA-N 1 0 325.452 4.172 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000184856710 1052266261 /nfs/dbraw/zinc/26/62/61/1052266261.db2.gz BEZHHAIKFSFNFB-WMZOPIPTSA-N 1 0 328.456 4.171 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c(O)c1 ZINC000184910449 1052294250 /nfs/dbraw/zinc/29/42/50/1052294250.db2.gz UZBHCSSCOXYZSS-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000184912103 1052295228 /nfs/dbraw/zinc/29/52/28/1052295228.db2.gz UWNJMZHQUJSRAN-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc2ccccc2c1O ZINC000185026917 1052367082 /nfs/dbraw/zinc/36/70/82/1052367082.db2.gz KJUQITVZABELDM-ZDUSSCGKSA-N 1 0 340.389 4.080 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185032735 1052368243 /nfs/dbraw/zinc/36/82/43/1052368243.db2.gz DGRZGNMZNQTRHD-MRXNPFEDSA-N 1 0 347.462 4.308 20 10 EICDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c1 ZINC000185020972 1052371616 /nfs/dbraw/zinc/37/16/16/1052371616.db2.gz HPCBAJKXBYKXDE-CQSZACIVSA-N 1 0 334.419 4.355 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCOCCc2ccccc2)c1 ZINC000185072738 1052392733 /nfs/dbraw/zinc/39/27/33/1052392733.db2.gz UVGHEFZJDQIWHA-GOSISDBHSA-N 1 0 327.468 4.391 20 10 EICDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c1 ZINC000185177400 1052512201 /nfs/dbraw/zinc/51/22/01/1052512201.db2.gz ZGTDMCKTIFWWDX-OAHLLOKOSA-N 1 0 348.446 4.146 20 10 EICDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185319443 1052580811 /nfs/dbraw/zinc/58/08/11/1052580811.db2.gz PCCMDRDNAPERJP-CQSZACIVSA-N 1 0 343.471 4.061 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc4ccccc4c3O)cn21 ZINC000185412525 1052597665 /nfs/dbraw/zinc/59/76/65/1052597665.db2.gz MHLGGBHVYJJTNK-OAHLLOKOSA-N 1 0 331.419 4.352 20 10 EICDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185551065 1052637335 /nfs/dbraw/zinc/63/73/35/1052637335.db2.gz OTAYRUYZHSPZSQ-LSDHHAIUSA-N 1 0 329.440 4.254 20 10 EICDRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185597321 1052654274 /nfs/dbraw/zinc/65/42/74/1052654274.db2.gz XRVALZLYCFLOMO-ZDUSSCGKSA-N 1 0 325.424 4.084 20 10 EICDRO CCc1noc(CC)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185678654 1052676666 /nfs/dbraw/zinc/67/66/66/1052676666.db2.gz GPJPVPVGPVJGAT-CYBMUJFWSA-N 1 0 328.456 4.235 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c1 ZINC000185678194 1052676783 /nfs/dbraw/zinc/67/67/83/1052676783.db2.gz RMHCIZOUVLQJTJ-OAHLLOKOSA-N 1 0 341.451 4.349 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000119583790 1053066892 /nfs/dbraw/zinc/06/68/92/1053066892.db2.gz DXJSGZZCYGQTCP-FQEVSTJZSA-N 1 0 346.421 4.042 20 10 EICDRO Cc1ncsc1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000850112564 1053072966 /nfs/dbraw/zinc/07/29/66/1053072966.db2.gz ZPYJVKQEIREHCN-UHFFFAOYSA-N 1 0 336.460 4.343 20 10 EICDRO Cn1nccc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101591805 1053235307 /nfs/dbraw/zinc/23/53/07/1053235307.db2.gz FBIROABKRRMLMK-UHFFFAOYSA-N 1 0 329.488 4.011 20 10 EICDRO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000850482565 1053251149 /nfs/dbraw/zinc/25/11/49/1053251149.db2.gz PMCUCKKSHZETMG-VXGBXAGGSA-N 1 0 335.245 4.004 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654576 1053252396 /nfs/dbraw/zinc/25/23/96/1053252396.db2.gz DHGQHVFIPKOXPZ-BZNIZROVSA-N 1 0 339.357 4.327 20 10 EICDRO C[C@@H]([NH2+]CCc1noc2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000850483763 1053255581 /nfs/dbraw/zinc/25/55/81/1053255581.db2.gz UATWHTDYQIKHDJ-CQSZACIVSA-N 1 0 336.435 4.306 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000850489637 1053259930 /nfs/dbraw/zinc/25/99/30/1053259930.db2.gz WEENJTQZSSDBBI-GDBMZVCRSA-N 1 0 338.442 4.078 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1 ZINC000850504969 1053262510 /nfs/dbraw/zinc/26/25/10/1053262510.db2.gz JDEKLFDFRMQNFO-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1O ZINC000850504809 1053263880 /nfs/dbraw/zinc/26/38/80/1053263880.db2.gz FQDDRJJHSXFVAR-ZUZCIYMTSA-N 1 0 335.341 4.072 20 10 EICDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000850505169 1053264532 /nfs/dbraw/zinc/26/45/32/1053264532.db2.gz NZYPXUOYODGOOJ-ZDUSSCGKSA-N 1 0 349.272 4.060 20 10 EICDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc2ccccc2c1O ZINC000850502548 1053265780 /nfs/dbraw/zinc/26/57/80/1053265780.db2.gz WPFZERLBGRBLDE-MRXNPFEDSA-N 1 0 347.462 4.391 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cc(Cl)ccc1O ZINC000850532183 1053293358 /nfs/dbraw/zinc/29/33/58/1053293358.db2.gz KJIPFKIRRMZTAQ-HNNXBMFYSA-N 1 0 325.861 4.494 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1O ZINC000850551475 1053305658 /nfs/dbraw/zinc/30/56/58/1053305658.db2.gz IQEVMHBYYIJIIK-PRHODGIISA-N 1 0 334.204 4.097 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O ZINC000850554584 1053308496 /nfs/dbraw/zinc/30/84/96/1053308496.db2.gz COZGVQVICOPLEG-JDNHERCYSA-N 1 0 344.213 4.222 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554950 1053309639 /nfs/dbraw/zinc/30/96/39/1053309639.db2.gz IQDASXJEOKVVGX-HOCLYGCPSA-N 1 0 338.234 4.010 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000850555141 1053310621 /nfs/dbraw/zinc/31/06/21/1053310621.db2.gz GFAPAORJBGWUMV-APPDUMDISA-N 1 0 340.250 4.392 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850558585 1053316198 /nfs/dbraw/zinc/31/61/98/1053316198.db2.gz UDNGEKFLZOCXKA-QFYYESIMSA-N 1 0 326.223 4.083 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850566782 1053320905 /nfs/dbraw/zinc/32/09/05/1053320905.db2.gz SQOZZTDNQHZJBF-QFIPXVFZSA-N 1 0 338.495 4.279 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000850569568 1053321181 /nfs/dbraw/zinc/32/11/81/1053321181.db2.gz JFUUVZDFLGMLJO-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000764816787 1053325734 /nfs/dbraw/zinc/32/57/34/1053325734.db2.gz CBIBUHZBXLEYBJ-QFIPXVFZSA-N 1 0 348.494 4.222 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000794799970 1053385306 /nfs/dbraw/zinc/38/53/06/1053385306.db2.gz AQPYCYJAYFSPBP-ZDUSSCGKSA-N 1 0 348.288 4.069 20 10 EICDRO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793279 1053387381 /nfs/dbraw/zinc/38/73/81/1053387381.db2.gz NMFOPEVGIXYADL-UYAOXDASSA-N 1 0 335.451 4.264 20 10 EICDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000764978234 1053394749 /nfs/dbraw/zinc/39/47/49/1053394749.db2.gz UJJDQHMDJYDUJH-IIBYNOLFSA-N 1 0 339.435 4.170 20 10 EICDRO CC[C@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C)cc1O ZINC000794804360 1053396520 /nfs/dbraw/zinc/39/65/20/1053396520.db2.gz DPGUBPHEZNCEDF-KRWDZBQOSA-N 1 0 329.440 4.219 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C)cc1O ZINC000794809643 1053415722 /nfs/dbraw/zinc/41/57/22/1053415722.db2.gz HEKODVLGLPVLED-LJQANCHMSA-N 1 0 343.467 4.275 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794807821 1053416289 /nfs/dbraw/zinc/41/62/89/1053416289.db2.gz LVSPPRYKRQFTAM-YJBOKZPZSA-N 1 0 343.467 4.390 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C)cc1O ZINC000794811959 1053428398 /nfs/dbraw/zinc/42/83/98/1053428398.db2.gz UZLFQGDHAGPHHR-OAHLLOKOSA-N 1 0 330.497 4.319 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000794811848 1053430699 /nfs/dbraw/zinc/43/06/99/1053430699.db2.gz ZEMZWZRFIMILKK-WFASDCNBSA-N 1 0 325.412 4.084 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cccc(OC)c2OC)cc1 ZINC000765124781 1053452074 /nfs/dbraw/zinc/45/20/74/1053452074.db2.gz MCZRJHPGGJFFAH-MRXNPFEDSA-N 1 0 342.483 4.053 20 10 EICDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256879 1053483468 /nfs/dbraw/zinc/48/34/68/1053483468.db2.gz YUEMEFSVGBCCCA-KGLIPLIRSA-N 1 0 345.512 4.008 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000765300554 1053497138 /nfs/dbraw/zinc/49/71/38/1053497138.db2.gz ODNSHELVGRPICI-GJZGRUSLSA-N 1 0 348.487 4.444 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000765304768 1053501955 /nfs/dbraw/zinc/50/19/55/1053501955.db2.gz KQUBUZRHDKLNGX-HNNXBMFYSA-N 1 0 330.497 4.385 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120568498 1053516784 /nfs/dbraw/zinc/51/67/84/1053516784.db2.gz BTRKMHILLYIJOX-LJQANCHMSA-N 1 0 327.428 4.292 20 10 EICDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000765362169 1053516903 /nfs/dbraw/zinc/51/69/03/1053516903.db2.gz FEACOTRHNJKMLG-ZDUSSCGKSA-N 1 0 348.384 4.046 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765459163 1053554701 /nfs/dbraw/zinc/55/47/01/1053554701.db2.gz DPSJOGBCQXKZCH-JXFKEZNVSA-N 1 0 342.458 4.464 20 10 EICDRO Cc1ccccc1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765470133 1053558340 /nfs/dbraw/zinc/55/83/40/1053558340.db2.gz GOIPMBDCDOACTN-IBGZPJMESA-N 1 0 338.495 4.115 20 10 EICDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000853239213 1053655752 /nfs/dbraw/zinc/65/57/52/1053655752.db2.gz CFFVHXMOCUQAAT-QGZVFWFLSA-N 1 0 326.488 4.134 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2O ZINC000853239989 1053656302 /nfs/dbraw/zinc/65/63/02/1053656302.db2.gz FDDRXGIEXVMCBE-ZANVPECISA-N 1 0 340.320 4.283 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240513 1053657696 /nfs/dbraw/zinc/65/76/96/1053657696.db2.gz HNMFNBJNGZHANV-GUYCJALGSA-N 1 0 337.398 4.055 20 10 EICDRO Cn1cc(C[N@H+](Cc2c(O)ccc3ccccc32)C2CCCC2)cn1 ZINC000111232487 1053663695 /nfs/dbraw/zinc/66/36/95/1053663695.db2.gz QCEYMCYDSWZYBG-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc2c(ccnc2Cl)o1 ZINC000866252415 1053665415 /nfs/dbraw/zinc/66/54/15/1053665415.db2.gz JEILKFPEDXGRJF-LLVKDONJSA-N 1 0 328.799 4.267 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000866408749 1053717640 /nfs/dbraw/zinc/71/76/40/1053717640.db2.gz CWEAHRAFNQYLHQ-YVEFUNNKSA-N 1 0 337.822 4.267 20 10 EICDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1O ZINC000866409637 1053719525 /nfs/dbraw/zinc/71/95/25/1053719525.db2.gz PIERJMVODPBNGM-QLJPJBMISA-N 1 0 341.785 4.098 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000866508836 1053759086 /nfs/dbraw/zinc/75/90/86/1053759086.db2.gz SBCOIAMUAMXBOZ-WBMJQRKESA-N 1 0 333.403 4.350 20 10 EICDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000866512013 1053760406 /nfs/dbraw/zinc/76/04/06/1053760406.db2.gz HHXBZNZGEORENN-VHFSOBRXSA-N 1 0 325.452 4.401 20 10 EICDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(C)cc1Br ZINC001137808236 1053777550 /nfs/dbraw/zinc/77/75/50/1053777550.db2.gz DUPHZIGCLYSMCB-UHFFFAOYSA-N 1 0 334.257 4.485 20 10 EICDRO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc2ccccc2c1O ZINC000866565368 1053787095 /nfs/dbraw/zinc/78/70/95/1053787095.db2.gz LAKDJSFGGQRJIR-LLVKDONJSA-N 1 0 331.366 4.067 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000866568825 1053790577 /nfs/dbraw/zinc/79/05/77/1053790577.db2.gz FFDFLNACYPPBBX-QGZVFWFLSA-N 1 0 348.288 4.151 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000121142714 1053801302 /nfs/dbraw/zinc/80/13/02/1053801302.db2.gz KHJCGVGCYHNFOA-WBAXXEDZSA-N 1 0 332.513 4.367 20 10 EICDRO Cc1cccc(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1O ZINC000775749345 1053801327 /nfs/dbraw/zinc/80/13/27/1053801327.db2.gz HBYFQWOFAPWHDV-INIZCTEOSA-N 1 0 340.467 4.033 20 10 EICDRO CC[C@@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866610044 1053803986 /nfs/dbraw/zinc/80/39/86/1053803986.db2.gz KPJDVEGTNNUTMQ-QGZVFWFLSA-N 1 0 327.403 4.274 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4ccc(C)cc43)CC2)cc1 ZINC000765639196 1053829132 /nfs/dbraw/zinc/82/91/32/1053829132.db2.gz VZZAEJGTICSENY-QFIPXVFZSA-N 1 0 336.479 4.250 20 10 EICDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000765658829 1053831991 /nfs/dbraw/zinc/83/19/91/1053831991.db2.gz OVVLYXNFWLVZLC-OAHLLOKOSA-N 1 0 343.540 4.371 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccc(N2CCOCC2)cc1 ZINC000785438127 1053849139 /nfs/dbraw/zinc/84/91/39/1053849139.db2.gz CKQKDSHFUSSYHL-ZDUSSCGKSA-N 1 0 336.888 4.089 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1C(C)C ZINC000776765928 1053861248 /nfs/dbraw/zinc/86/12/48/1053861248.db2.gz FEJLNPAELBVAKH-OAQYLSRUSA-N 1 0 343.442 4.057 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1O ZINC000776819252 1053947486 /nfs/dbraw/zinc/94/74/86/1053947486.db2.gz VODOBKLFFLEIGZ-SNVBAGLBSA-N 1 0 344.411 4.194 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000122706907 1054020788 /nfs/dbraw/zinc/02/07/88/1054020788.db2.gz GGXGVZCINCUTFK-HNNXBMFYSA-N 1 0 327.428 4.128 20 10 EICDRO COCc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)ccc1OC ZINC000122762092 1054035032 /nfs/dbraw/zinc/03/50/32/1054035032.db2.gz BXOMHRLDDURPDW-INIZCTEOSA-N 1 0 342.483 4.067 20 10 EICDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000122933797 1054062111 /nfs/dbraw/zinc/06/21/11/1054062111.db2.gz QAIWTYJZAXGHSP-HNNXBMFYSA-N 1 0 339.439 4.136 20 10 EICDRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835603 1054114139 /nfs/dbraw/zinc/11/41/39/1054114139.db2.gz VJYWBOAMMUWBKW-AWEZNQCLSA-N 1 0 345.874 4.004 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000115618533 1054365000 /nfs/dbraw/zinc/36/50/00/1054365000.db2.gz VPOJJFQJYVIZNJ-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC001199420143 1054404738 /nfs/dbraw/zinc/40/47/38/1054404738.db2.gz KIEBYVPGBVWRPH-NRFANRHFSA-N 1 0 339.458 4.018 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000872133117 1054407292 /nfs/dbraw/zinc/40/72/92/1054407292.db2.gz KKJYXALEDUQURA-FZMZJTMJSA-N 1 0 339.361 4.311 20 10 EICDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2F)C[C@H](C)O1 ZINC001199413948 1054407739 /nfs/dbraw/zinc/40/77/39/1054407739.db2.gz SISQWURTORHGLT-HOTGVXAUSA-N 1 0 348.506 4.498 20 10 EICDRO c1cc2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2[nH]1 ZINC000858099888 1054414273 /nfs/dbraw/zinc/41/42/73/1054414273.db2.gz BELLMFLMGOIFTH-UHFFFAOYSA-N 1 0 337.492 4.011 20 10 EICDRO Cc1cccnc1[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC000858137508 1054422471 /nfs/dbraw/zinc/42/24/71/1054422471.db2.gz AIGMIVQLUANTDM-GOSISDBHSA-N 1 0 333.426 4.221 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000858142455 1054423738 /nfs/dbraw/zinc/42/37/38/1054423738.db2.gz BIRFEBPMFBYUQW-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000776012352 1054445678 /nfs/dbraw/zinc/44/56/78/1054445678.db2.gz YSIGQOQAOMKUAE-MSOLQXFVSA-N 1 0 325.452 4.382 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013719 1054447689 /nfs/dbraw/zinc/44/76/89/1054447689.db2.gz NWWJCVBDHIDETN-BXKDBHETSA-N 1 0 337.769 4.217 20 10 EICDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001199732423 1054456614 /nfs/dbraw/zinc/45/66/14/1054456614.db2.gz JNEBIPUCIOGBHQ-QUCCMNQESA-N 1 0 330.516 4.218 20 10 EICDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199742859 1054460511 /nfs/dbraw/zinc/46/05/11/1054460511.db2.gz OVGWXOGDJLEJRC-FOSCPCJNSA-N 1 0 346.421 4.101 20 10 EICDRO CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000858353745 1054470859 /nfs/dbraw/zinc/47/08/59/1054470859.db2.gz LVZBIJBQLWWDKO-GOSISDBHSA-N 1 0 338.495 4.497 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490527 1054499077 /nfs/dbraw/zinc/49/90/77/1054499077.db2.gz JUZDEMCKRHVVGQ-NEPJUHHUSA-N 1 0 331.287 4.082 20 10 EICDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000858498453 1054503753 /nfs/dbraw/zinc/50/37/53/1054503753.db2.gz PRIDRLBLHIRCSD-CYBMUJFWSA-N 1 0 346.858 4.188 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3C3CC3)CC2)cc1 ZINC001199972429 1054509353 /nfs/dbraw/zinc/50/93/53/1054509353.db2.gz QVWTYICLHGWMRA-UHFFFAOYSA-N 1 0 336.479 4.331 20 10 EICDRO C[C@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000858574440 1054521948 /nfs/dbraw/zinc/52/19/48/1054521948.db2.gz KRVWZXIGDAFGFJ-MEDUHNTESA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000858604653 1054534766 /nfs/dbraw/zinc/53/47/66/1054534766.db2.gz NNESDINHQONMOO-TZIWHRDSSA-N 1 0 339.483 4.348 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000859631360 1054707777 /nfs/dbraw/zinc/70/77/77/1054707777.db2.gz LEFNLTADLHOZMG-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1O ZINC000776151687 1054738781 /nfs/dbraw/zinc/73/87/81/1054738781.db2.gz UCWQCVNPVVMELF-UHFFFAOYSA-N 1 0 328.799 4.299 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC001201407044 1054778970 /nfs/dbraw/zinc/77/89/70/1054778970.db2.gz IKMARJOHVYNTRT-UHFFFAOYSA-N 1 0 328.431 4.114 20 10 EICDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000776166736 1054794883 /nfs/dbraw/zinc/79/48/83/1054794883.db2.gz DQQQDCBHCNXMRZ-OXJNMPFZSA-N 1 0 348.506 4.264 20 10 EICDRO Cc1cccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c1O ZINC000776198703 1054869568 /nfs/dbraw/zinc/86/95/68/1054869568.db2.gz NLEZKYOAMXBGMU-FQEVSTJZSA-N 1 0 325.452 4.275 20 10 EICDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000876544467 1054926893 /nfs/dbraw/zinc/92/68/93/1054926893.db2.gz ULSALUSWBAVENF-IBGZPJMESA-N 1 0 342.508 4.046 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccc(C(F)F)nc2)C2CC2)cc1 ZINC000876570763 1054933101 /nfs/dbraw/zinc/93/31/01/1054933101.db2.gz NQTJJSRHUVQSCY-UHFFFAOYSA-N 1 0 331.410 4.250 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCc2cnn(C(C)C)c21 ZINC001201889409 1054936715 /nfs/dbraw/zinc/93/67/15/1054936715.db2.gz ODONEMSKFGYWDE-GOSISDBHSA-N 1 0 336.483 4.431 20 10 EICDRO Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)cc(C)c3O)nc21 ZINC000776220332 1054937005 /nfs/dbraw/zinc/93/70/05/1054937005.db2.gz VGRXKTYCGADAMS-UHFFFAOYSA-N 1 0 330.815 4.136 20 10 EICDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000876620806 1054939374 /nfs/dbraw/zinc/93/93/74/1054939374.db2.gz SLNOZNWAZVJXJD-UHFFFAOYSA-N 1 0 345.389 4.074 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1 ZINC001201954335 1054964685 /nfs/dbraw/zinc/96/46/85/1054964685.db2.gz MEPCWJLLKJOPDP-XMSQKQJNSA-N 1 0 338.495 4.370 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)ccc1OC(C)C ZINC000876917515 1054983228 /nfs/dbraw/zinc/98/32/28/1054983228.db2.gz UVAQRZFDNWJCKI-OAHLLOKOSA-N 1 0 329.440 4.347 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000876950694 1054988164 /nfs/dbraw/zinc/98/81/64/1054988164.db2.gz SPIIAJWDBLORJY-UHFFFAOYSA-N 1 0 338.451 4.119 20 10 EICDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C)cc2O)cnn1-c1ccc(F)cc1 ZINC000876976635 1054990911 /nfs/dbraw/zinc/99/09/11/1054990911.db2.gz NHLUMAVFCLIBQA-AWEZNQCLSA-N 1 0 339.414 4.185 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000777243100 1055042764 /nfs/dbraw/zinc/04/27/64/1055042764.db2.gz RJJYYEURWPKRJT-CHWSQXEVSA-N 1 0 344.833 4.015 20 10 EICDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336610 1055043028 /nfs/dbraw/zinc/04/30/28/1055043028.db2.gz LCBOETKVNHNHCW-PXNSSMCTSA-N 1 0 329.415 4.192 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCN2CCC3(CCCCC3)CC2)cc1F ZINC001202142669 1055049311 /nfs/dbraw/zinc/04/93/11/1055049311.db2.gz LHBDFLRVWJMXGV-UHFFFAOYSA-N 1 0 347.522 4.028 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877491015 1055064519 /nfs/dbraw/zinc/06/45/19/1055064519.db2.gz MDPJUAPOZOQKIS-UHFFFAOYSA-N 1 0 335.451 4.196 20 10 EICDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000877516857 1055068703 /nfs/dbraw/zinc/06/87/03/1055068703.db2.gz FJFZKZAZIJTVRR-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000777259179 1055071061 /nfs/dbraw/zinc/07/10/61/1055071061.db2.gz OSHKRQCEXSYWEP-WCIQWLHISA-N 1 0 328.500 4.141 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1OC ZINC000862527630 1055077926 /nfs/dbraw/zinc/07/79/26/1055077926.db2.gz DFYWFBYYHLHRKS-INIZCTEOSA-N 1 0 347.842 4.230 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1O ZINC000862536115 1055079316 /nfs/dbraw/zinc/07/93/16/1055079316.db2.gz DSLYXCYDQUWHAE-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO Cc1cccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1O ZINC000862536118 1055079327 /nfs/dbraw/zinc/07/93/27/1055079327.db2.gz DSLYXCYDQUWHAE-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO OCC[C@H]([NH2+]Cc1cc(F)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000862536073 1055080658 /nfs/dbraw/zinc/08/06/58/1055080658.db2.gz CUAVIPNCVIRDDT-HNNXBMFYSA-N 1 0 344.213 4.051 20 10 EICDRO COc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000776263560 1055095906 /nfs/dbraw/zinc/09/59/06/1055095906.db2.gz FBGUHKSBFACVRR-FQEVSTJZSA-N 1 0 348.446 4.260 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000877685448 1055106199 /nfs/dbraw/zinc/10/61/99/1055106199.db2.gz ZVGFSYTWBRTRAH-SNVBAGLBSA-N 1 0 343.418 4.387 20 10 EICDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877736414 1055114749 /nfs/dbraw/zinc/11/47/49/1055114749.db2.gz YOMPSHCKFWMNJZ-UHFFFAOYSA-N 1 0 347.846 4.076 20 10 EICDRO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1O ZINC000877757081 1055114953 /nfs/dbraw/zinc/11/49/53/1055114953.db2.gz FLSDLOZQRJSOAQ-NSHDSACASA-N 1 0 349.356 4.149 20 10 EICDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)c1ccccc1O ZINC000877755820 1055115318 /nfs/dbraw/zinc/11/53/18/1055115318.db2.gz OBVJHRMEODOAFK-LLVKDONJSA-N 1 0 327.453 4.138 20 10 EICDRO C[C@H]([NH2+]Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1O ZINC000877758312 1055117447 /nfs/dbraw/zinc/11/74/47/1055117447.db2.gz SGDDWXONITWJOF-NSHDSACASA-N 1 0 349.456 4.047 20 10 EICDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000119372656 1055180439 /nfs/dbraw/zinc/18/04/39/1055180439.db2.gz HPHLQRGQWVMSBV-UHFFFAOYSA-N 1 0 344.886 4.202 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCCc3occc32)c(O)c(C(C)(C)C)c1 ZINC000850029774 1055326532 /nfs/dbraw/zinc/32/65/32/1055326532.db2.gz KBNKLQSFZUSYNV-QGZVFWFLSA-N 1 0 329.440 4.459 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1Cl ZINC000826042970 1055327026 /nfs/dbraw/zinc/32/70/26/1055327026.db2.gz BBORSVGJTHZGTC-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2O ZINC000765805991 1055407629 /nfs/dbraw/zinc/40/76/29/1055407629.db2.gz AZLHWHIXMKVLPS-VZMUKZCBSA-N 1 0 349.833 4.230 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1C ZINC000765810783 1055460872 /nfs/dbraw/zinc/46/08/72/1055460872.db2.gz SLAFZQSNDHPGAF-LIRRHRJNSA-N 1 0 333.859 4.221 20 10 EICDRO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921686753 1055796666 /nfs/dbraw/zinc/79/66/66/1055796666.db2.gz XGGBGCXQPOAQCX-GOSISDBHSA-N 1 0 339.483 4.130 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)CC1 ZINC000921714029 1056102585 /nfs/dbraw/zinc/10/25/85/1056102585.db2.gz CTYZIZQARFJFBD-UHFFFAOYSA-N 1 0 338.499 4.134 20 10 EICDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921761397 1056466435 /nfs/dbraw/zinc/46/64/35/1056466435.db2.gz WJFRAQAEVMVZSD-OAHLLOKOSA-N 1 0 335.451 4.232 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167426 1058529748 /nfs/dbraw/zinc/52/97/48/1058529748.db2.gz FVSRFMNRVBUXCS-ZHRRBRCNSA-N 1 0 337.463 4.151 20 10 EICDRO Cc1cc(CC[NH2+]Cc2scnc2C)c(C)n1-c1ccccc1 ZINC000742366475 1058577716 /nfs/dbraw/zinc/57/77/16/1058577716.db2.gz GXPHFHUKOIVVRO-UHFFFAOYSA-N 1 0 325.481 4.191 20 10 EICDRO COc1ccc([C@H](C)CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000742373848 1058598946 /nfs/dbraw/zinc/59/89/46/1058598946.db2.gz KWHRLNLTPYLKHJ-OAHLLOKOSA-N 1 0 330.447 4.184 20 10 EICDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCCO[C@@H]21 ZINC000742376789 1058601527 /nfs/dbraw/zinc/60/15/27/1058601527.db2.gz HGZULDOFIGCISK-TYPHKJRUSA-N 1 0 337.463 4.352 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)OC)cc1 ZINC000742379998 1058604959 /nfs/dbraw/zinc/60/49/59/1058604959.db2.gz DRHYXCOULUHCCC-UHFFFAOYSA-N 1 0 326.484 4.228 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870155 1059189910 /nfs/dbraw/zinc/18/99/10/1059189910.db2.gz JIUGYGQTFULKRB-MRXNPFEDSA-N 1 0 340.467 4.194 20 10 EICDRO C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304568 1059305345 /nfs/dbraw/zinc/30/53/45/1059305345.db2.gz NSQNNIVOYRIKOF-UTKZUKDTSA-N 1 0 348.494 4.121 20 10 EICDRO C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304562 1059305442 /nfs/dbraw/zinc/30/54/42/1059305442.db2.gz NSQNNIVOYRIKOF-DYESRHJHSA-N 1 0 348.494 4.121 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000744449396 1059527361 /nfs/dbraw/zinc/52/73/61/1059527361.db2.gz VSZDVVQEVCOVIM-APPDUMDISA-N 1 0 340.250 4.219 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000379641503 1059711637 /nfs/dbraw/zinc/71/16/37/1059711637.db2.gz DABPEDHBYNHZSV-UXPWSPDFSA-N 1 0 336.479 4.022 20 10 EICDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000766368529 1060315128 /nfs/dbraw/zinc/31/51/28/1060315128.db2.gz INRRHORKDYMTKB-GOSISDBHSA-N 1 0 330.516 4.270 20 10 EICDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2ccccc2)cc1 ZINC000766475605 1060377947 /nfs/dbraw/zinc/37/79/47/1060377947.db2.gz ZPYKBZAVUDSPJN-JOCHJYFZSA-N 1 0 345.442 4.112 20 10 EICDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000766489833 1060380347 /nfs/dbraw/zinc/38/03/47/1060380347.db2.gz UJKBBDYAMOEARD-MGPUTAFESA-N 1 0 326.509 4.434 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)c(O)c1 ZINC000038039029 213195859 /nfs/dbraw/zinc/19/58/59/213195859.db2.gz IUBZVWBCULSABE-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO CC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1O ZINC000274748244 1019169247 /nfs/dbraw/zinc/16/92/47/1019169247.db2.gz GXPVXEATLXPZHP-MOMVYJMYSA-N 1 0 325.452 4.263 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1O ZINC000175752558 1019416135 /nfs/dbraw/zinc/41/61/35/1019416135.db2.gz YFCVJIMBNUOKBA-LLVKDONJSA-N 1 0 341.329 4.150 20 10 EICDRO CC1(C)Cc2cc(C[NH2+]CCCSc3nccs3)ccc2O1 ZINC000236761395 1032829799 /nfs/dbraw/zinc/82/97/99/1032829799.db2.gz DOSVAQMEHPPKPR-UHFFFAOYSA-N 1 0 334.510 4.129 20 10 EICDRO CCOc1ccc(O)c(CN[C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000237086551 1032844974 /nfs/dbraw/zinc/84/49/74/1032844974.db2.gz JQHSVTYNMDGCFT-ZDUSSCGKSA-N 1 0 345.443 4.072 20 10 EICDRO CCOc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1O ZINC000236890020 1032857625 /nfs/dbraw/zinc/85/76/25/1032857625.db2.gz QQSFBUVKEOKAOV-UHFFFAOYSA-N 1 0 329.415 4.489 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc1N(C)C ZINC001167122920 1020260923 /nfs/dbraw/zinc/26/09/23/1020260923.db2.gz MRJVNOIYCGNXBI-HXUWFJFHSA-N 1 0 326.459 4.407 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000693132468 1020979050 /nfs/dbraw/zinc/97/90/50/1020979050.db2.gz PRECRPXJGODYSM-RISCZKNCSA-N 1 0 342.277 4.011 20 10 EICDRO Cc1cc(C[N@H+]2CCN(C)c3ccccc3C2)ccc1N1CCCCC1 ZINC001167310750 1021032083 /nfs/dbraw/zinc/03/20/83/1021032083.db2.gz YYFCJNDMYLDVLJ-UHFFFAOYSA-N 1 0 349.522 4.437 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000078973730 1021127488 /nfs/dbraw/zinc/12/74/88/1021127488.db2.gz NJONOIAYQFKHTF-CYBMUJFWSA-N 1 0 336.888 4.089 20 10 EICDRO COCc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000725846045 1021343482 /nfs/dbraw/zinc/34/34/82/1021343482.db2.gz QZVHDFPDJSKTDR-UHFFFAOYSA-N 1 0 333.431 4.495 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000310650465 1021409276 /nfs/dbraw/zinc/40/92/76/1021409276.db2.gz PVWWVLXBXNAAHX-ZMSDIMECSA-N 1 0 348.487 4.139 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000725848901 1021589923 /nfs/dbraw/zinc/58/99/23/1021589923.db2.gz CGVDPZMASMUJJO-UHFFFAOYSA-N 1 0 330.859 4.326 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccoc1 ZINC000178071016 1021888065 /nfs/dbraw/zinc/88/80/65/1021888065.db2.gz HOOSJXKVFURPEG-DZGCQCFKSA-N 1 0 336.382 4.201 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282357024 1021941227 /nfs/dbraw/zinc/94/12/27/1021941227.db2.gz HJXZDJJWWVAPOD-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000160555186 1022231835 /nfs/dbraw/zinc/23/18/35/1022231835.db2.gz GFQXEVOMXYWDKU-CYBMUJFWSA-N 1 0 348.874 4.274 20 10 EICDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728301878 1022250011 /nfs/dbraw/zinc/25/00/11/1022250011.db2.gz PMZQJHLOLUYBIM-MJGOQNOKSA-N 1 0 334.479 4.111 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905356 1022574011 /nfs/dbraw/zinc/57/40/11/1022574011.db2.gz BUFPZXDHOOSJSS-XYJFISCASA-N 1 0 342.458 4.093 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc(Br)ccc1O ZINC000312097730 1022636946 /nfs/dbraw/zinc/63/69/46/1022636946.db2.gz SGVDHWIKJPKXDG-CMPLNLGQSA-N 1 0 334.204 4.383 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000163503571 1022846952 /nfs/dbraw/zinc/84/69/52/1022846952.db2.gz SJZFTZYKBUYPQO-NRFANRHFSA-N 1 0 340.442 4.080 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000363858573 1022863668 /nfs/dbraw/zinc/86/36/68/1022863668.db2.gz DYCZRSUHWHCGAI-CYBMUJFWSA-N 1 0 341.842 4.297 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1ccccc1O ZINC000183475111 1022865839 /nfs/dbraw/zinc/86/58/39/1022865839.db2.gz ZGRTWBQUKJNDFI-HNNXBMFYSA-N 1 0 326.440 4.350 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000160832231 1022952876 /nfs/dbraw/zinc/95/28/76/1022952876.db2.gz JEUNYHFJPIWTLH-IIBYNOLFSA-N 1 0 342.458 4.464 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccsc1 ZINC000185011795 1022991762 /nfs/dbraw/zinc/99/17/62/1022991762.db2.gz RBUQRHVYLJVTPO-RDTXWAMCSA-N 1 0 348.512 4.196 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(O)c1 ZINC000185124271 1023009747 /nfs/dbraw/zinc/00/97/47/1023009747.db2.gz YLULHKWNDTXVHU-INIZCTEOSA-N 1 0 343.442 4.239 20 10 EICDRO Oc1ccccc1CN(Cc1cnn(C2CCC2)c1)Cc1ccco1 ZINC000891394999 1023200423 /nfs/dbraw/zinc/20/04/23/1023200423.db2.gz UDQPMKMMGKUUEM-UHFFFAOYSA-N 1 0 337.423 4.109 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1cc(F)ccc1O ZINC000376787126 1023312061 /nfs/dbraw/zinc/31/20/61/1023312061.db2.gz JSROUVMNSPJSBR-KGLIPLIRSA-N 1 0 325.387 4.129 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)c(O)c1OC ZINC000892757774 1023374072 /nfs/dbraw/zinc/37/40/72/1023374072.db2.gz LNCFMLQPPBKSLC-LJQANCHMSA-N 1 0 347.430 4.426 20 10 EICDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000188876039 1023385779 /nfs/dbraw/zinc/38/57/79/1023385779.db2.gz OHLTZXVLIKVOFC-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000190186872 1023461777 /nfs/dbraw/zinc/46/17/77/1023461777.db2.gz QZRKWDUPLIMJHD-LJQANCHMSA-N 1 0 347.499 4.089 20 10 EICDRO COc1cc(C[NH+]2CCC(C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000754741580 1023574335 /nfs/dbraw/zinc/57/43/35/1023574335.db2.gz QFPBWNKGMYWMKW-UHFFFAOYSA-N 1 0 327.415 4.175 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)c1ccccc1O ZINC000156345768 1023582634 /nfs/dbraw/zinc/58/26/34/1023582634.db2.gz NBVUNGDCINQORV-PKOBYXMFSA-N 1 0 341.451 4.109 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)CSC(C)(C)C)CC2)cc1 ZINC000157407785 1023599353 /nfs/dbraw/zinc/59/93/53/1023599353.db2.gz OGTGVVGIYZPQSX-OAHLLOKOSA-N 1 0 336.545 4.174 20 10 EICDRO Oc1cccc(Cl)c1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000123781585 1023659472 /nfs/dbraw/zinc/65/94/72/1023659472.db2.gz IJBBNZDJHCOJLV-IBGZPJMESA-N 1 0 349.833 4.130 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O ZINC000326396234 1023844024 /nfs/dbraw/zinc/84/40/24/1023844024.db2.gz MGJYTBLUBKLDKF-CQSZACIVSA-N 1 0 336.391 4.347 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000796684463 1023896261 /nfs/dbraw/zinc/89/62/61/1023896261.db2.gz UZTHGPIQQBKZFV-HXUWFJFHSA-N 1 0 342.458 4.368 20 10 EICDRO Cc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1O ZINC000276975193 1024851878 /nfs/dbraw/zinc/85/18/78/1024851878.db2.gz DLWIVWKUGFQPJH-UHFFFAOYSA-N 1 0 329.415 4.021 20 10 EICDRO CC(C)CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000796703023 1024865020 /nfs/dbraw/zinc/86/50/20/1024865020.db2.gz PFOZTAPWTJSSFL-OAQYLSRUSA-N 1 0 342.483 4.383 20 10 EICDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000181837677 1024910539 /nfs/dbraw/zinc/91/05/39/1024910539.db2.gz TUCABYINWQWLIG-MRXNPFEDSA-N 1 0 327.447 4.370 20 10 EICDRO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(Br)cc1O ZINC000756817583 1024951110 /nfs/dbraw/zinc/95/11/10/1024951110.db2.gz LSEGDDNIRMEZQX-LBPRGKRZSA-N 1 0 332.241 4.495 20 10 EICDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)c2ccccc2)n1 ZINC000277217790 1025344946 /nfs/dbraw/zinc/34/49/46/1025344946.db2.gz XKOUBDSEIVDFCQ-KDOFPFPSSA-N 1 0 337.423 4.027 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1 ZINC000178502242 1025612047 /nfs/dbraw/zinc/61/20/47/1025612047.db2.gz HXXDDFSUUXIPOJ-SFHVURJKSA-N 1 0 348.494 4.238 20 10 EICDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894611722 1026255036 /nfs/dbraw/zinc/25/50/36/1026255036.db2.gz YXKUUUDERDMRSL-FQEVSTJZSA-N 1 0 339.435 4.137 20 10 EICDRO CC(C)[N@@H+]1CCCC[C@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC001167982293 1026390179 /nfs/dbraw/zinc/39/01/79/1026390179.db2.gz BTSCTQMMLGSOLC-IBGZPJMESA-N 1 0 342.483 4.250 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cc(Br)ccc1O ZINC000051574174 1026419542 /nfs/dbraw/zinc/41/95/42/1026419542.db2.gz IYJLXMQUPJXYOU-OAHLLOKOSA-N 1 0 335.245 4.099 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450530 1026436581 /nfs/dbraw/zinc/43/65/81/1026436581.db2.gz IGKGIPYWMPKYGB-BDAKNGLRSA-N 1 0 346.374 4.288 20 10 EICDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCSc3ccc(Cl)cc31)OCO2 ZINC000063255976 1026482229 /nfs/dbraw/zinc/48/22/29/1026482229.db2.gz VJJQULWQYHUSHI-CYBMUJFWSA-N 1 0 349.839 4.101 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1C ZINC000279617080 1026548363 /nfs/dbraw/zinc/54/83/63/1026548363.db2.gz AIROESUEJYPBID-GFCCVEGCSA-N 1 0 335.245 4.012 20 10 EICDRO Oc1c(C[NH+]2CCC(Nc3ccccn3)CC2)ccc2ccccc21 ZINC000896193401 1027318742 /nfs/dbraw/zinc/31/87/42/1027318742.db2.gz AZXJAOMSRVYNJP-UHFFFAOYSA-N 1 0 333.435 4.017 20 10 EICDRO COc1cc(OC(F)(F)F)ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626377 1027482549 /nfs/dbraw/zinc/48/25/49/1027482549.db2.gz IKNIPUFKAUYJGG-UHFFFAOYSA-N 1 0 346.393 4.079 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2sccc2Br)c1 ZINC000147959342 1027537723 /nfs/dbraw/zinc/53/77/23/1027537723.db2.gz YYNDFKZAXFJWCF-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Br)ccc1O ZINC000840892312 1027573444 /nfs/dbraw/zinc/57/34/44/1027573444.db2.gz QPRFDFDZKVQITB-LBPRGKRZSA-N 1 0 349.272 4.178 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708176807 1027834610 /nfs/dbraw/zinc/83/46/10/1027834610.db2.gz HORJUTFSEQXOBN-ZCFIWIBFSA-N 1 0 346.574 4.239 20 10 EICDRO CC(C)(C)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000783609289 1027845213 /nfs/dbraw/zinc/84/52/13/1027845213.db2.gz RTJYGFBMUFBMBE-UHFFFAOYSA-N 1 0 326.431 4.283 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(C(C)(C)O)cc1 ZINC000925104369 1028038917 /nfs/dbraw/zinc/03/89/17/1028038917.db2.gz XVBMSNQYJQWHFR-ZDUSSCGKSA-N 1 0 336.526 4.204 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000161843099 1029070756 /nfs/dbraw/zinc/07/07/56/1029070756.db2.gz MTQVVSUEOBUGNT-MRXNPFEDSA-N 1 0 340.467 4.155 20 10 EICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317020 1029337552 /nfs/dbraw/zinc/33/75/52/1029337552.db2.gz GZEWFWDIUVFSHL-LPHOPBHVSA-N 1 0 339.483 4.256 20 10 EICDRO COc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c(Cl)c1 ZINC000475200640 1029433347 /nfs/dbraw/zinc/43/33/47/1029433347.db2.gz AYLCVPQHUQPFIL-UHFFFAOYSA-N 1 0 328.843 4.439 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000163323105 1030119930 /nfs/dbraw/zinc/11/99/30/1030119930.db2.gz GZCHYQALNQBFJB-BQFCYCMXSA-N 1 0 334.479 4.018 20 10 EICDRO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626014 1030290625 /nfs/dbraw/zinc/29/06/25/1030290625.db2.gz CIXUNYUCYXSAQJ-ICSRJNTNSA-N 1 0 339.414 4.095 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1 ZINC000102432800 1030805889 /nfs/dbraw/zinc/80/58/89/1030805889.db2.gz YBIJEJVDPUBEFY-UHFFFAOYSA-N 1 0 330.859 4.107 20 10 EICDRO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001168187383 1030883945 /nfs/dbraw/zinc/88/39/45/1030883945.db2.gz GCJZFNORYXUPRY-ZDUSSCGKSA-N 1 0 331.843 4.131 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179118602 1030887576 /nfs/dbraw/zinc/88/75/76/1030887576.db2.gz WTCNZAQDDDRUMT-AWEZNQCLSA-N 1 0 345.874 4.063 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000527926425 1030925449 /nfs/dbraw/zinc/92/54/49/1030925449.db2.gz KYFPNXUHQYHGBT-DOMZBBRYSA-N 1 0 342.277 4.012 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1O ZINC000527962012 1031003699 /nfs/dbraw/zinc/00/36/99/1031003699.db2.gz LPPUHXNMFLERSN-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310890156 1031091114 /nfs/dbraw/zinc/09/11/14/1031091114.db2.gz KHWGFWWBROGWSV-PGRDOPGGSA-N 1 0 338.495 4.263 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000177228017 1031460990 /nfs/dbraw/zinc/46/09/90/1031460990.db2.gz KICWOXHERKINQP-INIZCTEOSA-N 1 0 342.508 4.099 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000177228033 1031462728 /nfs/dbraw/zinc/46/27/28/1031462728.db2.gz KICWOXHERKINQP-MRXNPFEDSA-N 1 0 342.508 4.099 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c(O)c1C ZINC000359974880 1031903581 /nfs/dbraw/zinc/90/35/81/1031903581.db2.gz PTRIFBYOACQRNS-MRXNPFEDSA-N 1 0 335.451 4.260 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942356 1031945121 /nfs/dbraw/zinc/94/51/21/1031945121.db2.gz WOHGNINCJZPJFJ-IFMALSPDSA-N 1 0 338.495 4.345 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1O ZINC000236934279 1033476524 /nfs/dbraw/zinc/47/65/24/1033476524.db2.gz YVQWXDXCDKHOPC-HNNXBMFYSA-N 1 0 333.428 4.257 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000894186562 1034652634 /nfs/dbraw/zinc/65/26/34/1034652634.db2.gz KNIMUIFNHPMMCY-HNNXBMFYSA-N 1 0 329.440 4.347 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000237090359 1034795363 /nfs/dbraw/zinc/79/53/63/1034795363.db2.gz KAHYOIGFXYJACG-UHFFFAOYSA-N 1 0 334.410 4.261 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280038356 1035134614 /nfs/dbraw/zinc/13/46/14/1035134614.db2.gz IQLJEVGABRYGLN-KXBFYZLASA-N 1 0 336.439 4.083 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280038341 1035135535 /nfs/dbraw/zinc/13/55/35/1035135535.db2.gz IQLJEVGABRYGLN-DNVCBOLYSA-N 1 0 336.439 4.083 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000760649896 1035863241 /nfs/dbraw/zinc/86/32/41/1035863241.db2.gz HEXMKUCUPSCICQ-FQEVSTJZSA-N 1 0 325.452 4.498 20 10 EICDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000761294459 1036820567 /nfs/dbraw/zinc/82/05/67/1036820567.db2.gz ONVISRUGKLDGBX-MRXNPFEDSA-N 1 0 343.467 4.028 20 10 EICDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000761294458 1036820995 /nfs/dbraw/zinc/82/09/95/1036820995.db2.gz ONVISRUGKLDGBX-INIZCTEOSA-N 1 0 343.467 4.028 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)c1cc(Br)ccc1O ZINC000229557579 1037241218 /nfs/dbraw/zinc/24/12/18/1037241218.db2.gz JCFHDMDBLLZDCD-BZPMIXESSA-N 1 0 344.318 4.480 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000273423783 1037459828 /nfs/dbraw/zinc/45/98/28/1037459828.db2.gz JSMQSBVROIOXHG-ZRCAFCQKSA-N 1 0 342.458 4.463 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1O ZINC000273433627 1037463535 /nfs/dbraw/zinc/46/35/35/1037463535.db2.gz LMZYWJASYLYXAO-UVIMBBFXSA-N 1 0 333.378 4.241 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000273488043 1037480012 /nfs/dbraw/zinc/48/00/12/1037480012.db2.gz MTKGJUYFKFBMGO-FXAWDEMLSA-N 1 0 346.421 4.041 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273556944 1037506812 /nfs/dbraw/zinc/50/68/12/1037506812.db2.gz ZQGIAGYVQHHOLA-NHCUHLMSSA-N 1 0 342.458 4.244 20 10 EICDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)OC ZINC000760871872 1037552269 /nfs/dbraw/zinc/55/22/69/1037552269.db2.gz WCFQWNIENCXHPV-AWEZNQCLSA-N 1 0 329.440 4.175 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CC2 ZINC000163617455 1038099565 /nfs/dbraw/zinc/09/95/65/1038099565.db2.gz OZOQGCQJWFWUAG-OAQYLSRUSA-N 1 0 338.520 4.325 20 10 EICDRO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163617199 1038114554 /nfs/dbraw/zinc/11/45/54/1038114554.db2.gz ZOAMIJMQPOUQEY-GOSISDBHSA-N 1 0 344.549 4.469 20 10 EICDRO Oc1cc2c(cc1C[NH2+]C(c1ccccc1)c1ccccc1)OCO2 ZINC000063255910 1038142885 /nfs/dbraw/zinc/14/28/85/1038142885.db2.gz KQAPGZSEWBHSEG-UHFFFAOYSA-N 1 0 333.387 4.000 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Br)s2)c(O)c1 ZINC000230659473 1038223953 /nfs/dbraw/zinc/22/39/53/1038223953.db2.gz LTEFXRHVTDWFQK-NSHDSACASA-N 1 0 340.286 4.418 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)nc3ccccc23)c1 ZINC000129843077 1038413399 /nfs/dbraw/zinc/41/33/99/1038413399.db2.gz ATXRIDNLUHEROJ-LBPRGKRZSA-N 1 0 342.826 4.453 20 10 EICDRO c1ccc(COc2ccc(N3CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)cc2)cc1 ZINC001167959599 1040537651 /nfs/dbraw/zinc/53/76/51/1040537651.db2.gz RGSUBDOSTFECSN-VTYHHJSWSA-N 1 0 348.490 4.186 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c(C)c1OC ZINC000927125346 1040783758 /nfs/dbraw/zinc/78/37/58/1040783758.db2.gz RXCDBRLXBSPKGN-OAHLLOKOSA-N 1 0 329.440 4.185 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463245975 1041453203 /nfs/dbraw/zinc/45/32/03/1041453203.db2.gz AOVKJQRVNVBKNP-UHFFFAOYSA-N 1 0 333.479 4.245 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000108409829 1041732954 /nfs/dbraw/zinc/73/29/54/1041732954.db2.gz KNGOZXJYTVFACO-INIZCTEOSA-N 1 0 328.431 4.108 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c(O)c1 ZINC000366672389 1041834773 /nfs/dbraw/zinc/83/47/73/1041834773.db2.gz BIJYTFQBAAATEF-OAHLLOKOSA-N 1 0 330.497 4.077 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000152242834 1042729516 /nfs/dbraw/zinc/72/95/16/1042729516.db2.gz GNYQWDWEGGEAEP-HXUWFJFHSA-N 1 0 334.467 4.179 20 10 EICDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000237181774 1042874810 /nfs/dbraw/zinc/87/48/10/1042874810.db2.gz DUNGJSQUQSDSNE-OAHLLOKOSA-N 1 0 331.481 4.227 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000766029564 1043055142 /nfs/dbraw/zinc/05/51/42/1043055142.db2.gz OAECXCFNRIKNJZ-GOSISDBHSA-N 1 0 330.859 4.328 20 10 EICDRO COc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)c(O)c1OC ZINC000895121805 1043078133 /nfs/dbraw/zinc/07/81/33/1043078133.db2.gz OKTXOBWPZXGZAV-UHFFFAOYSA-N 1 0 347.842 4.232 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000727588826 1043238795 /nfs/dbraw/zinc/23/87/95/1043238795.db2.gz XATHZEQUMNAWSQ-UHFFFAOYSA-N 1 0 341.499 4.185 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163632987 1043254093 /nfs/dbraw/zinc/25/40/93/1043254093.db2.gz DLKQMBUTYMMONS-QGZVFWFLSA-N 1 0 326.509 4.399 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cnn(C)c1 ZINC000922893368 1043827458 /nfs/dbraw/zinc/82/74/58/1043827458.db2.gz GLMCHXGYCKRSAQ-OAQYLSRUSA-N 1 0 335.451 4.280 20 10 EICDRO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)o1 ZINC000731846452 1043834888 /nfs/dbraw/zinc/83/48/88/1043834888.db2.gz ZPPNBDLBXNSEBZ-UHFFFAOYSA-N 1 0 343.423 4.025 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@@H](C)O1 ZINC000732184034 1043882071 /nfs/dbraw/zinc/88/20/71/1043882071.db2.gz DLXOFCQFJJDIPX-ZIAGYGMSSA-N 1 0 329.440 4.017 20 10 EICDRO CC[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@@H](C)O1 ZINC000732186116 1043884627 /nfs/dbraw/zinc/88/46/27/1043884627.db2.gz XUOGHSOECXXCHW-HIFRSBDPSA-N 1 0 325.408 4.291 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204248 1043887263 /nfs/dbraw/zinc/88/72/63/1043887263.db2.gz GTXIGELLCIUCSS-FQEVSTJZSA-N 1 0 347.405 4.149 20 10 EICDRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)C1=CC(=O)CS1 ZINC000732280278 1043895220 /nfs/dbraw/zinc/89/52/20/1043895220.db2.gz VCVGACAKEWGAIF-UHFFFAOYSA-N 1 0 330.453 4.082 20 10 EICDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000732556239 1043961364 /nfs/dbraw/zinc/96/13/64/1043961364.db2.gz NDZUDFJYEHZSLA-UHFFFAOYSA-N 1 0 331.843 4.175 20 10 EICDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000732820761 1044012972 /nfs/dbraw/zinc/01/29/72/1044012972.db2.gz OQGUKENOBQBWDK-JOCHJYFZSA-N 1 0 336.479 4.073 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cc1F ZINC000733328366 1044194713 /nfs/dbraw/zinc/19/47/13/1044194713.db2.gz SCSJPMOTTDDFQW-UHFFFAOYSA-N 1 0 336.838 4.321 20 10 EICDRO CC(C)CCc1noc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000733613805 1044268251 /nfs/dbraw/zinc/26/82/51/1044268251.db2.gz MDGBGEPGUUYXES-UHFFFAOYSA-N 1 0 343.471 4.309 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136012 1044322802 /nfs/dbraw/zinc/32/28/02/1044322802.db2.gz GVACKCQUWVHXGO-PGRDOPGGSA-N 1 0 348.494 4.431 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000130319705 1044379064 /nfs/dbraw/zinc/37/90/64/1044379064.db2.gz OYSGXWAEKKNSIJ-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000734511846 1044593916 /nfs/dbraw/zinc/59/39/16/1044593916.db2.gz JQNVGFFFANOOKS-UHFFFAOYSA-N 1 0 325.500 4.197 20 10 EICDRO Oc1ccccc1C[N@H+](CCSc1ccccc1)C[C@@H]1CCCO1 ZINC000735494326 1044831924 /nfs/dbraw/zinc/83/19/24/1044831924.db2.gz XXYQEUXZSRFAPD-SFHVURJKSA-N 1 0 343.492 4.166 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cnn(CC)c2)cc1 ZINC000735675954 1044853201 /nfs/dbraw/zinc/85/32/01/1044853201.db2.gz BXNUCFLCBWLESS-UHFFFAOYSA-N 1 0 348.494 4.219 20 10 EICDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Nc1ccccc1 ZINC000735676622 1044855297 /nfs/dbraw/zinc/85/52/97/1044855297.db2.gz WKXNNPQEQAKYLD-LJQANCHMSA-N 1 0 329.463 4.118 20 10 EICDRO c1sc(CC[NH2+]Cc2ccc3c(c2)CCO3)nc1C1CCCCC1 ZINC000736642104 1044963071 /nfs/dbraw/zinc/96/30/71/1044963071.db2.gz RIUBTCUCXQTARR-UHFFFAOYSA-N 1 0 342.508 4.458 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000738100307 1045033891 /nfs/dbraw/zinc/03/38/91/1045033891.db2.gz WMBFDAZYDIBYFW-UHFFFAOYSA-N 1 0 348.446 4.231 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCCNc1ccccn1 ZINC000738429772 1045060616 /nfs/dbraw/zinc/06/06/16/1045060616.db2.gz IDLYPBBEFRCIKI-UHFFFAOYSA-N 1 0 347.462 4.436 20 10 EICDRO C[C@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000740014840 1045179398 /nfs/dbraw/zinc/17/93/98/1045179398.db2.gz WCYGDQSREHIFMD-OAQYLSRUSA-N 1 0 330.516 4.098 20 10 EICDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1(C)C ZINC000740862194 1045231831 /nfs/dbraw/zinc/23/18/31/1045231831.db2.gz AJAHNISCUBTEMX-SJORKVTESA-N 1 0 335.488 4.031 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)cc1 ZINC000740898435 1045240744 /nfs/dbraw/zinc/24/07/44/1045240744.db2.gz OTQQGDTWMRLHBO-OALUTQOASA-N 1 0 340.511 4.210 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762614195 1045314981 /nfs/dbraw/zinc/31/49/81/1045314981.db2.gz KWVDDCULJUVZCS-KZNAEPCWSA-N 1 0 336.570 4.002 20 10 EICDRO CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(O)c1 ZINC000762632698 1045320098 /nfs/dbraw/zinc/32/00/98/1045320098.db2.gz UZZTVSVFBWIJER-UHFFFAOYSA-N 1 0 333.378 4.238 20 10 EICDRO c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000762795827 1045353254 /nfs/dbraw/zinc/35/32/54/1045353254.db2.gz ZCOIKRJPJMVOMD-JOCHJYFZSA-N 1 0 336.479 4.250 20 10 EICDRO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1O)Cc1ccccc1 ZINC000790726720 1045570159 /nfs/dbraw/zinc/57/01/59/1045570159.db2.gz JFKLEXUTCRXBGW-AVYPCKFXSA-N 1 0 347.886 4.326 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000790927349 1045622953 /nfs/dbraw/zinc/62/29/53/1045622953.db2.gz YDXUSXOZZATQSP-UHFFFAOYSA-N 1 0 327.355 4.090 20 10 EICDRO CC1(C)CC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC(C)(C)N1O ZINC001169975413 1045639210 /nfs/dbraw/zinc/63/92/10/1045639210.db2.gz UAQAAVIEXFXXLX-UHFFFAOYSA-N 1 0 345.531 4.177 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)c2cscn2)c(C)n1-c1ccccc1 ZINC000768089864 1045707798 /nfs/dbraw/zinc/70/77/98/1045707798.db2.gz IRMJTBDCLIMECG-OAHLLOKOSA-N 1 0 325.481 4.444 20 10 EICDRO CC1(C)CC([NH2+]Cc2cc3ccccc3cc2O)CC(C)(C)N1O ZINC001169982821 1045714159 /nfs/dbraw/zinc/71/41/59/1045714159.db2.gz VJANIEZGAGTCCG-UHFFFAOYSA-N 1 0 328.456 4.046 20 10 EICDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(O)c1 ZINC000768160780 1045728460 /nfs/dbraw/zinc/72/84/60/1045728460.db2.gz PPDLXRVHRCQDQU-UHFFFAOYSA-N 1 0 337.366 4.024 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000768163588 1045730574 /nfs/dbraw/zinc/73/05/74/1045730574.db2.gz ZVEQHUUYSRIBMJ-HHXXYDBFSA-N 1 0 341.451 4.290 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000768161611 1045731783 /nfs/dbraw/zinc/73/17/83/1045731783.db2.gz IBFRECQBVDDPAF-SFHVURJKSA-N 1 0 329.415 4.021 20 10 EICDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1O ZINC000768169066 1045734750 /nfs/dbraw/zinc/73/47/50/1045734750.db2.gz DNCWCGWZWZOUHU-UHFFFAOYSA-N 1 0 346.858 4.205 20 10 EICDRO COc1ccc2cc(C[N@H+](C)Cc3cccc(OC)c3O)ccc2c1 ZINC000768202880 1045739314 /nfs/dbraw/zinc/73/93/14/1045739314.db2.gz CNMFWAZIUAWAPX-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cc1OC ZINC000768231997 1045759885 /nfs/dbraw/zinc/75/98/85/1045759885.db2.gz XQCXRDAUZIMORT-INIZCTEOSA-N 1 0 347.842 4.400 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000768272504 1045774743 /nfs/dbraw/zinc/77/47/43/1045774743.db2.gz SHLXHYDXEWDVPP-SFYZADRCSA-N 1 0 326.156 4.146 20 10 EICDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768316340 1045793299 /nfs/dbraw/zinc/79/32/99/1045793299.db2.gz CTFOSKJSVYBJLR-JOCHJYFZSA-N 1 0 336.479 4.169 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)cc1OC ZINC000768444389 1045807065 /nfs/dbraw/zinc/80/70/65/1045807065.db2.gz AQXZAYXHVKNPLV-CVEARBPZSA-N 1 0 341.451 4.096 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(C)cc2O)cc1 ZINC000768440822 1045807306 /nfs/dbraw/zinc/80/73/06/1045807306.db2.gz FITFDDFVLRPNLD-GOSISDBHSA-N 1 0 327.424 4.055 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447067 1045808180 /nfs/dbraw/zinc/80/81/80/1045808180.db2.gz MBFZSFGZMQDNCA-INIZCTEOSA-N 1 0 349.377 4.025 20 10 EICDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](c2ccsc2)O1 ZINC000768465336 1045810913 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ZINC000747099490 1046128406 /nfs/dbraw/zinc/12/84/06/1046128406.db2.gz DALJNUDSZSMDLX-LJQANCHMSA-N 1 0 337.419 4.438 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000770281832 1046167993 /nfs/dbraw/zinc/16/79/93/1046167993.db2.gz XECXFKRNBDEBGY-QGZVFWFLSA-N 1 0 328.481 4.052 20 10 EICDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000770312037 1046177044 /nfs/dbraw/zinc/17/70/44/1046177044.db2.gz HQSRMBVRRLQWFZ-NRFANRHFSA-N 1 0 347.462 4.438 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000793233084 1046179916 /nfs/dbraw/zinc/17/99/16/1046179916.db2.gz PVYCQGWGCDLVOF-FQEVSTJZSA-N 1 0 327.468 4.137 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770327124 1046180991 /nfs/dbraw/zinc/18/09/91/1046180991.db2.gz LKYYKZPLRPAOFD-HNAYVOBHSA-N 1 0 349.833 4.273 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770327116 1046181024 /nfs/dbraw/zinc/18/10/24/1046181024.db2.gz LKYYKZPLRPAOFD-BEFAXECRSA-N 1 0 349.833 4.273 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000691478675 1046183948 /nfs/dbraw/zinc/18/39/48/1046183948.db2.gz XEMCGABPPNHSDY-LLVKDONJSA-N 1 0 334.204 4.070 20 10 EICDRO CCc1cccc(C[NH2+]Cc2cc(Br)ccc2F)c1O ZINC000691482327 1046187806 /nfs/dbraw/zinc/18/78/06/1046187806.db2.gz JSCWRLKWHDVKDW-UHFFFAOYSA-N 1 0 338.220 4.146 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000793269790 1046193378 /nfs/dbraw/zinc/19/33/78/1046193378.db2.gz PHRHRDWIIIQMQW-YJBOKZPZSA-N 1 0 329.415 4.356 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000322069787 1046262325 /nfs/dbraw/zinc/26/23/25/1046262325.db2.gz CYXUFCIEXDHVCA-ZOBUZTSGSA-N 1 0 348.487 4.269 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1F ZINC000793584770 1046301769 /nfs/dbraw/zinc/30/17/69/1046301769.db2.gz RNPWOMSIEULWGV-UHFFFAOYSA-N 1 0 344.478 4.049 20 10 EICDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000916836479 1046376487 /nfs/dbraw/zinc/37/64/87/1046376487.db2.gz JFQXRUALGHUPLQ-KONPQCLYSA-N 1 0 334.479 4.108 20 10 EICDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000771628126 1046460598 /nfs/dbraw/zinc/46/05/98/1046460598.db2.gz DWXGECJLSNMSRD-KRWDZBQOSA-N 1 0 347.499 4.235 20 10 EICDRO Cc1cccn2c(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cnc12 ZINC000771935114 1046529906 /nfs/dbraw/zinc/52/99/06/1046529906.db2.gz IQAUMUZAVLTQGG-UHFFFAOYSA-N 1 0 348.494 4.265 20 10 EICDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000772482221 1046648135 /nfs/dbraw/zinc/64/81/35/1046648135.db2.gz NNIIUDMNGZMOKV-INIZCTEOSA-N 1 0 336.495 4.265 20 10 EICDRO Oc1ccccc1C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000785553069 1046709356 /nfs/dbraw/zinc/70/93/56/1046709356.db2.gz BFCKLXKJOPXDHZ-UHFFFAOYSA-N 1 0 339.332 4.372 20 10 EICDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000785558287 1046711773 /nfs/dbraw/zinc/71/17/73/1046711773.db2.gz DTYZUZWGHLICEP-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c(O)c1 ZINC000785602355 1046717326 /nfs/dbraw/zinc/71/73/26/1046717326.db2.gz PIJDYEAJMBUCBG-SECBINFHSA-N 1 0 346.374 4.117 20 10 EICDRO Oc1ccccc1C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000785572035 1046723087 /nfs/dbraw/zinc/72/30/87/1046723087.db2.gz QHENUQIYXMYVCK-CYBMUJFWSA-N 1 0 336.254 4.091 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785572658 1046723825 /nfs/dbraw/zinc/72/38/25/1046723825.db2.gz HZDBCRJJZXLVRD-QYWGDWMGSA-N 1 0 342.483 4.051 20 10 EICDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785979414 1046793716 /nfs/dbraw/zinc/79/37/16/1046793716.db2.gz OJCSYGVDJPQKMB-WAOWUJCRSA-N 1 0 328.500 4.166 20 10 EICDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000785988815 1046799853 /nfs/dbraw/zinc/79/98/53/1046799853.db2.gz OSWQASPXBHDTNF-GFCCVEGCSA-N 1 0 339.357 4.313 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c(O)c1 ZINC000786157284 1046812923 /nfs/dbraw/zinc/81/29/23/1046812923.db2.gz IGFKELIIWPIXPE-UHFFFAOYSA-N 1 0 339.357 4.408 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)CCCC3 ZINC000917472976 1046897177 /nfs/dbraw/zinc/89/71/77/1046897177.db2.gz LNUHRHQDCYPHCH-VQIMIIECSA-N 1 0 341.451 4.161 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154425680 1046934520 /nfs/dbraw/zinc/93/45/20/1046934520.db2.gz COIKCAIRYUNLPJ-AUUYWEPGSA-N 1 0 348.487 4.262 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000322176282 1046935199 /nfs/dbraw/zinc/93/51/99/1046935199.db2.gz YJIXYQASRVTWEF-BZUAXINKSA-N 1 0 348.487 4.187 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)ccc1O ZINC000788260366 1047146189 /nfs/dbraw/zinc/14/61/89/1047146189.db2.gz ZUJVDLRSCJTSSO-LLVKDONJSA-N 1 0 325.330 4.026 20 10 EICDRO CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127677 1047148467 /nfs/dbraw/zinc/14/84/67/1047148467.db2.gz IUDAUVMPLVJAPW-OAHLLOKOSA-N 1 0 331.287 4.226 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131121 1047154983 /nfs/dbraw/zinc/15/49/83/1047154983.db2.gz GOGRYKFUGFLXFD-IAQYHMDHSA-N 1 0 331.287 4.082 20 10 EICDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000806175561 1047162188 /nfs/dbraw/zinc/16/21/88/1047162188.db2.gz CIRBVJSZCUMDNN-LBPRGKRZSA-N 1 0 344.293 4.258 20 10 EICDRO COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000806175560 1047163357 /nfs/dbraw/zinc/16/33/57/1047163357.db2.gz CIRBVJSZCUMDNN-GFCCVEGCSA-N 1 0 344.293 4.258 20 10 EICDRO CC[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(Cl)c1O ZINC000806155413 1047180688 /nfs/dbraw/zinc/18/06/88/1047180688.db2.gz QSACOVZPBWYGCP-INIZCTEOSA-N 1 0 328.803 4.190 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)cc(F)c1[O-] ZINC000806179716 1047202435 /nfs/dbraw/zinc/20/24/35/1047202435.db2.gz VGDLYTCEGNEPPJ-NXEZZACHSA-N 1 0 348.281 4.088 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)c1ccco1 ZINC000788569320 1047233750 /nfs/dbraw/zinc/23/37/50/1047233750.db2.gz FSCSSPKYDRIATG-SJORKVTESA-N 1 0 330.472 4.336 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788568252 1047233984 /nfs/dbraw/zinc/23/39/84/1047233984.db2.gz CIXSTPOBQKOFCQ-MRXNPFEDSA-N 1 0 339.483 4.407 20 10 EICDRO CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000788573381 1047236420 /nfs/dbraw/zinc/23/64/20/1047236420.db2.gz POCVDMBYFZQEHN-ZDUSSCGKSA-N 1 0 344.421 4.326 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000788751267 1047285588 /nfs/dbraw/zinc/28/55/88/1047285588.db2.gz RERUEWBIRFHZCO-IFXJQAMLSA-N 1 0 333.859 4.221 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000163503464 1047382654 /nfs/dbraw/zinc/38/26/54/1047382654.db2.gz SJZFTZYKBUYPQO-OAQYLSRUSA-N 1 0 340.442 4.080 20 10 EICDRO Cc1cc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000789529807 1047436441 /nfs/dbraw/zinc/43/64/41/1047436441.db2.gz KVBKHWHWZKCNAQ-UHFFFAOYSA-N 1 0 331.500 4.391 20 10 EICDRO CSC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000789752408 1047473924 /nfs/dbraw/zinc/47/39/24/1047473924.db2.gz PAAISVGBBKYZGW-UHFFFAOYSA-N 1 0 343.492 4.347 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1O ZINC000789778124 1047474256 /nfs/dbraw/zinc/47/42/56/1047474256.db2.gz DMTJAAASSXFXPM-HKUYNNGSSA-N 1 0 333.859 4.202 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)cc1Cl ZINC000898181525 1047577606 /nfs/dbraw/zinc/57/76/06/1047577606.db2.gz JJTDQEQANWBAHY-CYBMUJFWSA-N 1 0 333.863 4.201 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000918739087 1047632171 /nfs/dbraw/zinc/63/21/71/1047632171.db2.gz VHDZLOQCQBAUAL-OAHLLOKOSA-N 1 0 346.421 4.247 20 10 EICDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918762844 1047647025 /nfs/dbraw/zinc/64/70/25/1047647025.db2.gz BPDJLUQWBAJZKA-INIZCTEOSA-N 1 0 344.886 4.370 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000814177762 1047866718 /nfs/dbraw/zinc/86/67/18/1047866718.db2.gz OISKXGAHRIXVOF-DIFFPNOSSA-N 1 0 337.872 4.208 20 10 EICDRO CCOC1(C)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000814170248 1047873420 /nfs/dbraw/zinc/87/34/20/1047873420.db2.gz SVSQYEWZUBUVGL-UHFFFAOYSA-N 1 0 325.452 4.450 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000824468890 1047877491 /nfs/dbraw/zinc/87/74/91/1047877491.db2.gz QYEYOTMAJYGABR-QGZVFWFLSA-N 1 0 333.378 4.236 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468213 1047877795 /nfs/dbraw/zinc/87/77/95/1047877795.db2.gz GVKSJQHRWBPKSW-ZMZPIMSZSA-N 1 0 333.378 4.407 20 10 EICDRO COC[C@]1(C)CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824582935 1047892669 /nfs/dbraw/zinc/89/26/69/1047892669.db2.gz DVWJMMOOUMCBEH-HXUWFJFHSA-N 1 0 344.524 4.243 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c1O ZINC000824714672 1047909770 /nfs/dbraw/zinc/90/97/70/1047909770.db2.gz DUOKIRRTYZIWHC-ONGXEEELSA-N 1 0 337.769 4.217 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926829 1047997201 /nfs/dbraw/zinc/99/72/01/1047997201.db2.gz HXENCMZUIBHOPM-YOEHRIQHSA-N 1 0 335.831 4.035 20 10 EICDRO COCc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)ccc1F ZINC000808694103 1048040547 /nfs/dbraw/zinc/04/05/47/1048040547.db2.gz BDLNCMHBKLXUMJ-LBPRGKRZSA-N 1 0 337.822 4.490 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1O ZINC000808694367 1048041285 /nfs/dbraw/zinc/04/12/85/1048041285.db2.gz FAFBSOHOHHDCLT-MEDUHNTESA-N 1 0 331.847 4.181 20 10 EICDRO COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1OC ZINC000808671878 1048046086 /nfs/dbraw/zinc/04/60/86/1048046086.db2.gz UNQDWMCHGRITPS-CYBMUJFWSA-N 1 0 349.858 4.265 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1O ZINC000808675192 1048046872 /nfs/dbraw/zinc/04/68/72/1048046872.db2.gz YZOGXWSEHSWVPQ-RYUDHWBXSA-N 1 0 333.815 4.495 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000808673376 1048046959 /nfs/dbraw/zinc/04/69/59/1048046959.db2.gz OBHVEICSYSZBAN-BZNIZROVSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000808710635 1048055143 /nfs/dbraw/zinc/05/51/43/1048055143.db2.gz SUSOOTGTAUUBKS-KBPBESRZSA-N 1 0 325.880 4.193 20 10 EICDRO CC(C)[N@H+](CC[C@H](O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000808710784 1048059386 /nfs/dbraw/zinc/05/93/86/1048059386.db2.gz ODUSTACOTIRFFF-NRFANRHFSA-N 1 0 326.484 4.087 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)c1nc(C)cs1 ZINC000825252908 1048060351 /nfs/dbraw/zinc/06/03/51/1048060351.db2.gz BFJNHWHUKIUAEE-LBPRGKRZSA-N 1 0 341.274 4.161 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000808713067 1048061789 /nfs/dbraw/zinc/06/17/89/1048061789.db2.gz FCKSPCMJSOPNJS-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808700888 1048080095 /nfs/dbraw/zinc/08/00/95/1048080095.db2.gz MWJANXNSSDAPPZ-IPGIQXSYSA-N 1 0 343.920 4.084 20 10 EICDRO CCCCCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c(C)n1 ZINC000825394481 1048088327 /nfs/dbraw/zinc/08/83/27/1048088327.db2.gz AUFYJHICTJUYOS-UHFFFAOYSA-N 1 0 335.879 4.339 20 10 EICDRO CC[C@@H](OCC[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000844312058 1048269073 /nfs/dbraw/zinc/26/90/73/1048269073.db2.gz IKMBPROTNJRCQI-MGPUTAFESA-N 1 0 329.440 4.219 20 10 EICDRO Cc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)ccc1N(C)C ZINC000815008946 1048294627 /nfs/dbraw/zinc/29/46/27/1048294627.db2.gz UVYAUGCSWIALIJ-UHFFFAOYSA-N 1 0 338.495 4.242 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(F)c1F ZINC001143916693 1048300498 /nfs/dbraw/zinc/30/04/98/1048300498.db2.gz SVJCTCXTGGNWDE-UHFFFAOYSA-N 1 0 334.410 4.062 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815060998 1048312220 /nfs/dbraw/zinc/31/22/20/1048312220.db2.gz XNPYADFBPWPQPM-IEBWSBKVSA-N 1 0 344.524 4.211 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815060999 1048314079 /nfs/dbraw/zinc/31/40/79/1048314079.db2.gz XNPYADFBPWPQPM-MJGOQNOKSA-N 1 0 344.524 4.211 20 10 EICDRO CCc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000815083426 1048324996 /nfs/dbraw/zinc/32/49/96/1048324996.db2.gz YARYZXZTRPORFA-AWEZNQCLSA-N 1 0 328.456 4.332 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000815107412 1048350161 /nfs/dbraw/zinc/35/01/61/1048350161.db2.gz AHVYLUYXYHZTIM-ZDUSSCGKSA-N 1 0 348.288 4.151 20 10 EICDRO COc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2OC)c1O ZINC000809694674 1048458827 /nfs/dbraw/zinc/45/88/27/1048458827.db2.gz SYNLHHUHYLDHLB-CRAIPNDOSA-N 1 0 341.451 4.383 20 10 EICDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000809688248 1048478635 /nfs/dbraw/zinc/47/86/35/1048478635.db2.gz FUVSDRGPUCTQBG-UHFFFAOYSA-N 1 0 339.357 4.274 20 10 EICDRO COc1ccc(O)c(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000809735428 1048484191 /nfs/dbraw/zinc/48/41/91/1048484191.db2.gz GTBSXTUJWFWTPL-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000809712131 1048491713 /nfs/dbraw/zinc/49/17/13/1048491713.db2.gz CRDWAGYKPIFCNY-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO C[C@@H](CCc1ccsc1)[NH2+]Cc1cc(Br)ccc1O ZINC000809713657 1048492103 /nfs/dbraw/zinc/49/21/03/1048492103.db2.gz WOHNSCOXUODROZ-NSHDSACASA-N 1 0 340.286 4.327 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000815552953 1048504902 /nfs/dbraw/zinc/50/49/02/1048504902.db2.gz OCYZLQJAYKRFLM-IAGOWNOFSA-N 1 0 328.456 4.090 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000815553326 1048506450 /nfs/dbraw/zinc/50/64/50/1048506450.db2.gz XRJNZONRRAAWBV-GOSISDBHSA-N 1 0 338.495 4.324 20 10 EICDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809753512 1048517070 /nfs/dbraw/zinc/51/70/70/1048517070.db2.gz VDVCYKYBNSZYEE-UHFFFAOYSA-N 1 0 349.430 4.309 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758282 1048522109 /nfs/dbraw/zinc/52/21/09/1048522109.db2.gz IPHUKFZFABFZSA-NHCUHLMSSA-N 1 0 342.527 4.316 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000809763204 1048524374 /nfs/dbraw/zinc/52/43/74/1048524374.db2.gz LRDLMVXUHCKFIE-UHFFFAOYSA-N 1 0 349.400 4.331 20 10 EICDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815587553 1048524832 /nfs/dbraw/zinc/52/48/32/1048524832.db2.gz NHYWRILAHGRERO-KRWDZBQOSA-N 1 0 343.467 4.193 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(O)c1 ZINC000815587989 1048524927 /nfs/dbraw/zinc/52/49/27/1048524927.db2.gz ZUCAIOVWNHVGHR-CABCVRRESA-N 1 0 346.421 4.217 20 10 EICDRO C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815589942 1048527880 /nfs/dbraw/zinc/52/78/80/1048527880.db2.gz HSXXYHIDCYYQPD-GFCCVEGCSA-N 1 0 344.421 4.325 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000815600483 1048532140 /nfs/dbraw/zinc/53/21/40/1048532140.db2.gz UUWPFWBUNBPAEQ-HNNXBMFYSA-N 1 0 328.456 4.432 20 10 EICDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815601018 1048532279 /nfs/dbraw/zinc/53/22/79/1048532279.db2.gz LMNNAPRCWZHPFD-KAGYGMCKSA-N 1 0 339.479 4.471 20 10 EICDRO C[C@H](CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815598893 1048533236 /nfs/dbraw/zinc/53/32/36/1048533236.db2.gz FSMQTTSUGMQETB-PXNSSMCTSA-N 1 0 327.468 4.064 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(O)c1 ZINC000815614580 1048541150 /nfs/dbraw/zinc/54/11/50/1048541150.db2.gz VJGGNLJPOZQRTM-HNNXBMFYSA-N 1 0 328.456 4.432 20 10 EICDRO CN(C)C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815618509 1048543628 /nfs/dbraw/zinc/54/36/28/1048543628.db2.gz NGHQVRVFXIZYFY-FQEVSTJZSA-N 1 0 338.495 4.140 20 10 EICDRO COc1cccc(C2(C[NH2+][C@@H](C)c3c(C)cc(C)cc3O)CC2)c1 ZINC000815626622 1048551949 /nfs/dbraw/zinc/55/19/49/1048551949.db2.gz IMVOFYUKVTXZJY-INIZCTEOSA-N 1 0 325.452 4.400 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815629320 1048553496 /nfs/dbraw/zinc/55/34/96/1048553496.db2.gz ZTWVTMUYPRKIQP-CVEARBPZSA-N 1 0 328.431 4.078 20 10 EICDRO C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815656779 1048558874 /nfs/dbraw/zinc/55/88/74/1048558874.db2.gz GDSASMZSESUAKM-OAHLLOKOSA-N 1 0 334.479 4.139 20 10 EICDRO C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cc(Cl)ccc1O ZINC000815636996 1048566339 /nfs/dbraw/zinc/56/63/39/1048566339.db2.gz IHNKYMUUJSKCOS-SNVBAGLBSA-N 1 0 344.764 4.353 20 10 EICDRO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000815642901 1048567767 /nfs/dbraw/zinc/56/77/67/1048567767.db2.gz ONNYQWNGEKAOJA-OOHWJJMZSA-N 1 0 334.479 4.138 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810221068 1048690083 /nfs/dbraw/zinc/69/00/83/1048690083.db2.gz KLMPPZORGMAKCN-BBRMVZONSA-N 1 0 347.421 4.496 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810223497 1048691960 /nfs/dbraw/zinc/69/19/60/1048691960.db2.gz MKXHKQZWRKWMDN-ABAIWWIYSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C(F)(F)F)cc1O ZINC000810228620 1048696282 /nfs/dbraw/zinc/69/62/82/1048696282.db2.gz XPQYKRFOZAZVLA-CYBMUJFWSA-N 1 0 328.309 4.186 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1O ZINC000810227898 1048696555 /nfs/dbraw/zinc/69/65/55/1048696555.db2.gz MHJNMXUDSLDHMO-ZIAGYGMSSA-N 1 0 339.361 4.252 20 10 EICDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c(O)cc(O)cc2O)cc1C ZINC001144516460 1048711882 /nfs/dbraw/zinc/71/18/82/1048711882.db2.gz YUPSMAULDHYYDQ-SFHVURJKSA-N 1 0 327.424 4.147 20 10 EICDRO CC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000810242578 1048725254 /nfs/dbraw/zinc/72/52/54/1048725254.db2.gz DXUWTSQGWJEGCR-VBKZILBWSA-N 1 0 329.415 4.060 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)CC1 ZINC000845940626 1048769416 /nfs/dbraw/zinc/76/94/16/1048769416.db2.gz PZSLXMBGQXOONY-UHFFFAOYSA-N 1 0 335.451 4.354 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cscc2Br)c1 ZINC000845971181 1048773670 /nfs/dbraw/zinc/77/36/70/1048773670.db2.gz HWZVIGJTYTYUAA-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846013894 1048784872 /nfs/dbraw/zinc/78/48/72/1048784872.db2.gz DHEOCSHPYRZVMF-UHFFFAOYSA-N 1 0 337.744 4.220 20 10 EICDRO CCOc1cccc(C[NH2+]CCO[C@@H](CC)c2ccccc2)c1O ZINC000846019690 1048790972 /nfs/dbraw/zinc/79/09/72/1048790972.db2.gz RLZACRRCZXSVCY-SFHVURJKSA-N 1 0 329.440 4.048 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846052164 1048807150 /nfs/dbraw/zinc/80/71/50/1048807150.db2.gz LVLXRIDWWZSIKM-KRWDZBQOSA-N 1 0 345.414 4.322 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118558 1048815153 /nfs/dbraw/zinc/81/51/53/1048815153.db2.gz XMGJCDLEVSJBMP-IBGZPJMESA-N 1 0 345.389 4.202 20 10 EICDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846120745 1048817083 /nfs/dbraw/zinc/81/70/83/1048817083.db2.gz TVZZMKUYYAKEOG-IHPCNDPISA-N 1 0 327.399 4.026 20 10 EICDRO Oc1c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc2ccccc21 ZINC000816520378 1048820041 /nfs/dbraw/zinc/82/00/41/1048820041.db2.gz NSDCZPNYXUPWNL-PKOBYXMFSA-N 1 0 337.419 4.227 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000920956734 1048820287 /nfs/dbraw/zinc/82/02/87/1048820287.db2.gz RKISTUNUGOTPPD-OAQYLSRUSA-N 1 0 343.490 4.064 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000920954252 1048820418 /nfs/dbraw/zinc/82/04/18/1048820418.db2.gz KLBVKYAZKXCICM-UHFFFAOYSA-N 1 0 340.467 4.332 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000846149539 1048823148 /nfs/dbraw/zinc/82/31/48/1048823148.db2.gz ILRRSEAPHSOCHP-PBHICJAKSA-N 1 0 339.435 4.498 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1O ZINC000846150548 1048823344 /nfs/dbraw/zinc/82/33/44/1048823344.db2.gz RGUVPXZVHSJODF-JKSUJKDBSA-N 1 0 340.467 4.413 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)c1O ZINC000846147409 1048823580 /nfs/dbraw/zinc/82/35/80/1048823580.db2.gz UVCDBLDEJYOWST-KDOFPFPSSA-N 1 0 343.467 4.083 20 10 EICDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846149895 1048823696 /nfs/dbraw/zinc/82/36/96/1048823696.db2.gz SWBWVGIDNBMWNU-CXAGYDPISA-N 1 0 327.424 4.138 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1O ZINC000846148403 1048823856 /nfs/dbraw/zinc/82/38/56/1048823856.db2.gz YUWLUQPALIURAB-CVEARBPZSA-N 1 0 342.483 4.181 20 10 EICDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157361 1048824255 /nfs/dbraw/zinc/82/42/55/1048824255.db2.gz LFGQSQYDLUVMAH-GFCCVEGCSA-N 1 0 335.831 4.304 20 10 EICDRO CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1cccc(F)c1 ZINC000816528553 1048824279 /nfs/dbraw/zinc/82/42/79/1048824279.db2.gz HUYPQMBSWYQHIV-FQEVSTJZSA-N 1 0 338.426 4.077 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1O ZINC000846152371 1048824544 /nfs/dbraw/zinc/82/45/44/1048824544.db2.gz ATUOKKODVOXZHT-YGGLWSGOSA-N 1 0 327.424 4.005 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccsc2Br)c1O ZINC000846166643 1048826568 /nfs/dbraw/zinc/82/65/68/1048826568.db2.gz BLAMXJKEDBKQGK-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000846169082 1048828593 /nfs/dbraw/zinc/82/85/93/1048828593.db2.gz FSZMPSKSRLXLQJ-GTNSWQLSSA-N 1 0 333.378 4.407 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C(C)C)cc1 ZINC000846137996 1048830334 /nfs/dbraw/zinc/83/03/34/1048830334.db2.gz VXPJRSXFYNQFJB-AUUYWEPGSA-N 1 0 329.440 4.457 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCCOc2ccc(F)cc2)c1O ZINC000846138255 1048830339 /nfs/dbraw/zinc/83/03/39/1048830339.db2.gz AGLLAVQATLTZDO-AWEZNQCLSA-N 1 0 333.403 4.050 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816529360 1048831416 /nfs/dbraw/zinc/83/14/16/1048831416.db2.gz QBYOXTPYMYBSBZ-UHFFFAOYSA-N 1 0 345.446 4.383 20 10 EICDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816590644 1048832464 /nfs/dbraw/zinc/83/24/64/1048832464.db2.gz HKRYZMHUOYWPNG-GAJHUEQPSA-N 1 0 349.474 4.265 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204375 1048833177 /nfs/dbraw/zinc/83/31/77/1048833177.db2.gz ZSOGLYXLTOEMQE-WBMJQRKESA-N 1 0 345.414 4.493 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206704 1048833378 /nfs/dbraw/zinc/83/33/78/1048833378.db2.gz GHSJPOMLHHLCQC-WOJBJXKFSA-N 1 0 349.478 4.459 20 10 EICDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816559349 1048835090 /nfs/dbraw/zinc/83/50/90/1048835090.db2.gz GTUYESSAIAUMMV-UHFFFAOYSA-N 1 0 343.430 4.236 20 10 EICDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559276 1048835197 /nfs/dbraw/zinc/83/51/97/1048835197.db2.gz DBFBJUHDRFAMRQ-VBKZILBWSA-N 1 0 339.410 4.286 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846181921 1048835238 /nfs/dbraw/zinc/83/52/38/1048835238.db2.gz FXFDULFRWRPFIT-NVGCLXPQSA-N 1 0 337.822 4.266 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1ccc([S@](C)=O)cc1 ZINC000816559398 1048835231 /nfs/dbraw/zinc/83/52/31/1048835231.db2.gz JBKCAMOXHUIUIW-SHACYNPGSA-N 1 0 339.460 4.134 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1cc(Cl)ccc1O ZINC000846183458 1048837153 /nfs/dbraw/zinc/83/71/53/1048837153.db2.gz OKYDGAFPVJYBJE-DPZKZMLUSA-N 1 0 337.822 4.348 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000846202734 1048841802 /nfs/dbraw/zinc/84/18/02/1048841802.db2.gz XGQZKGHBMJPHBD-BSIFCXSSSA-N 1 0 339.483 4.109 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000816657719 1048850049 /nfs/dbraw/zinc/85/00/49/1048850049.db2.gz YESUKUZHPFLDEF-HXUWFJFHSA-N 1 0 346.490 4.063 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)cc1OC ZINC000816666447 1048851978 /nfs/dbraw/zinc/85/19/78/1048851978.db2.gz NGKXKTJXMITDPE-MQMHXKEQSA-N 1 0 347.842 4.099 20 10 EICDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000772957559 1048935268 /nfs/dbraw/zinc/93/52/68/1048935268.db2.gz FWWPEAGUUKAJQR-KRWDZBQOSA-N 1 0 345.531 4.022 20 10 EICDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000772957563 1048936385 /nfs/dbraw/zinc/93/63/85/1048936385.db2.gz FWWPEAGUUKAJQR-QGZVFWFLSA-N 1 0 345.531 4.022 20 10 EICDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000817415718 1048967000 /nfs/dbraw/zinc/96/70/00/1048967000.db2.gz XIKZKNBOJMHBSS-OALUTQOASA-N 1 0 341.451 4.018 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817947823 1049063285 /nfs/dbraw/zinc/06/32/85/1049063285.db2.gz RZQTYSNNSBGJQY-ZETOZRRWSA-N 1 0 331.287 4.128 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1O ZINC000817956842 1049067329 /nfs/dbraw/zinc/06/73/29/1049067329.db2.gz DZVIOYAPWPZIBN-MRXNPFEDSA-N 1 0 338.373 4.277 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817964422 1049070874 /nfs/dbraw/zinc/07/08/74/1049070874.db2.gz CECZZWZZKHTCNU-CYBMUJFWSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970665 1049073142 /nfs/dbraw/zinc/07/31/42/1049073142.db2.gz BRCXHIJMGVLIHG-KSFYIVLOSA-N 1 0 333.479 4.256 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980118 1049076973 /nfs/dbraw/zinc/07/69/73/1049076973.db2.gz IWGUYHXSKZAESK-BXUZGUMPSA-N 1 0 331.287 4.272 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817980685 1049078735 /nfs/dbraw/zinc/07/87/35/1049078735.db2.gz MPTNXBIRYRXWFR-IUODEOHRSA-N 1 0 331.287 4.272 20 10 EICDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170885325 1049083358 /nfs/dbraw/zinc/08/33/58/1049083358.db2.gz MBNRJUBYYDXZPN-QGZVFWFLSA-N 1 0 346.268 4.144 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(F)c(F)c3)C2)cc1 ZINC000818117189 1049091029 /nfs/dbraw/zinc/09/10/29/1049091029.db2.gz VXGXXIVMBXFJNT-GJZGRUSLSA-N 1 0 346.421 4.151 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811519454 1049107679 /nfs/dbraw/zinc/10/76/79/1049107679.db2.gz XWTNQVGETYERRW-PMACEKPBSA-N 1 0 328.500 4.066 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(SC)cc3)C2)cc1 ZINC000818220889 1049112752 /nfs/dbraw/zinc/11/27/52/1049112752.db2.gz OBRLRPKSNWSGSH-KRWDZBQOSA-N 1 0 342.508 4.033 20 10 EICDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000811511565 1049127055 /nfs/dbraw/zinc/12/70/55/1049127055.db2.gz NLXUSKBVIWFPAP-HXUWFJFHSA-N 1 0 330.516 4.456 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1O ZINC000811513702 1049128556 /nfs/dbraw/zinc/12/85/56/1049128556.db2.gz MPEZPUXENCAJLC-MSOLQXFVSA-N 1 0 331.843 4.364 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccsc1 ZINC000818342841 1049133918 /nfs/dbraw/zinc/13/39/18/1049133918.db2.gz VWIKYBMHEYJMIS-BEFAXECRSA-N 1 0 330.497 4.324 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]3CCCF)C2)cc1 ZINC000818343142 1049134019 /nfs/dbraw/zinc/13/40/19/1049134019.db2.gz YRAGJAFRUKFPNE-UWVAXJGDSA-N 1 0 334.479 4.030 20 10 EICDRO CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccn1 ZINC000818341628 1049136176 /nfs/dbraw/zinc/13/61/76/1049136176.db2.gz CBPCZDDIIHTWQN-PXNSSMCTSA-N 1 0 339.483 4.048 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(F)cc(F)c3)C2)cc1 ZINC000818343458 1049137081 /nfs/dbraw/zinc/13/70/81/1049137081.db2.gz BNIMVPBTNTWLKQ-HUUCEWRRSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C2)cc1 ZINC000818344365 1049137707 /nfs/dbraw/zinc/13/77/07/1049137707.db2.gz MJGVSIZUHZTQBY-HOTGVXAUSA-N 1 0 336.545 4.031 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3sccc3C)C2)cc1 ZINC000818345477 1049137727 /nfs/dbraw/zinc/13/77/27/1049137727.db2.gz UYZOPFZWOXXEIY-HZPDHXFCSA-N 1 0 330.497 4.242 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1O ZINC000282797404 1049463352 /nfs/dbraw/zinc/46/33/52/1049463352.db2.gz QPKHADOTPFOCHC-XHDPSFHLSA-N 1 0 348.240 4.329 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC001171349290 1049500162 /nfs/dbraw/zinc/50/01/62/1049500162.db2.gz HWWZZGMIFXGVAK-GUYCJALGSA-N 1 0 330.422 4.239 20 10 EICDRO Cc1cccc(CCC[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000797015644 1049526386 /nfs/dbraw/zinc/52/63/86/1049526386.db2.gz HNTDOHKRHAOUGF-CYBMUJFWSA-N 1 0 349.272 4.142 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1c(F)cccc1F ZINC000773029954 1049540537 /nfs/dbraw/zinc/54/05/37/1049540537.db2.gz LGXRXQGIWBFHEM-YHJVDBJQSA-N 1 0 348.437 4.194 20 10 EICDRO C[C@H]([NH2+]CCNc1ccc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000773048473 1049552196 /nfs/dbraw/zinc/55/21/96/1049552196.db2.gz RGSMRWBFJWJDQZ-INIZCTEOSA-N 1 0 334.467 4.064 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107934 1049583294 /nfs/dbraw/zinc/58/32/94/1049583294.db2.gz RKGLNTKMDZLTRG-GDBMZVCRSA-N 1 0 344.421 4.031 20 10 EICDRO CC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000812823121 1049585725 /nfs/dbraw/zinc/58/57/25/1049585725.db2.gz XQZPMUBATJVIFO-GOSISDBHSA-N 1 0 338.495 4.447 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H]1CCCO1 ZINC000773107570 1049585838 /nfs/dbraw/zinc/58/58/38/1049585838.db2.gz XRURKNAPIRHDBG-ZAAXVRCTSA-N 1 0 334.479 4.424 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000773136536 1049599178 /nfs/dbraw/zinc/59/91/78/1049599178.db2.gz NXFNQGVWQOMCQX-NBMRYCAZSA-N 1 0 336.570 4.173 20 10 EICDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773142642 1049607349 /nfs/dbraw/zinc/60/73/49/1049607349.db2.gz ZDDXHILBSSUXGK-IRXDYDNUSA-N 1 0 342.483 4.127 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773152656 1049616244 /nfs/dbraw/zinc/61/62/44/1049616244.db2.gz RVWZNPCIKQHUFO-MDOVXXIYSA-N 1 0 330.447 4.319 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773152654 1049616335 /nfs/dbraw/zinc/61/63/35/1049616335.db2.gz RVWZNPCIKQHUFO-AVYPCKFXSA-N 1 0 330.447 4.319 20 10 EICDRO c1ccc(COC2CC([NH2+]Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC000716166801 1049665657 /nfs/dbraw/zinc/66/56/57/1049665657.db2.gz WJHGMXXIXBRWDE-UHFFFAOYSA-N 1 0 336.479 4.124 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179561600 1049675209 /nfs/dbraw/zinc/67/52/09/1049675209.db2.gz UBFQVLKCIVAVMR-UHFFFAOYSA-N 1 0 348.487 4.004 20 10 EICDRO Cc1cnccc1OC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000773335924 1049750584 /nfs/dbraw/zinc/75/05/84/1049750584.db2.gz RZDHTHLDUFGWIK-UHFFFAOYSA-N 1 0 348.446 4.292 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000822530168 1049769135 /nfs/dbraw/zinc/76/91/35/1049769135.db2.gz SGUUABDZRXOFCG-SFHVURJKSA-N 1 0 335.875 4.135 20 10 EICDRO CCC(CC)(C[NH2+]Cc1ccccc1O)c1ccc(OC)c(OC)c1 ZINC000763471168 1049786395 /nfs/dbraw/zinc/78/63/95/1049786395.db2.gz DUTZCRLXQGCOEL-UHFFFAOYSA-N 1 0 343.467 4.257 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000179902033 1049787010 /nfs/dbraw/zinc/78/70/10/1049787010.db2.gz ZTAFPDQQAJRLFR-QLJPJBMISA-N 1 0 326.223 4.083 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1O ZINC000179889394 1049792644 /nfs/dbraw/zinc/79/26/44/1049792644.db2.gz NEPVWQRDAABQFH-BDJLRTHQSA-N 1 0 332.241 4.493 20 10 EICDRO Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000813856619 1049824185 /nfs/dbraw/zinc/82/41/85/1049824185.db2.gz KFJMTFLEUGGDBV-UZLBHIALSA-N 1 0 341.426 4.018 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H]1OCCc2sccc21 ZINC000813884340 1049831504 /nfs/dbraw/zinc/83/15/04/1049831504.db2.gz IGVOXSKPWBHJRF-RVPKQNPDSA-N 1 0 337.872 4.460 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2O ZINC000813883501 1049831767 /nfs/dbraw/zinc/83/17/67/1049831767.db2.gz OEEGXYSDPAMCIK-WWGRRREGSA-N 1 0 344.405 4.087 20 10 EICDRO Oc1ccccc1C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000238111157 1049881227 /nfs/dbraw/zinc/88/12/27/1049881227.db2.gz JVKXFRHZRRMEIS-LJQANCHMSA-N 1 0 337.394 4.441 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](C)O1 ZINC000824059709 1049895600 /nfs/dbraw/zinc/89/56/00/1049895600.db2.gz ZZRTWERUEUBLNC-ALXJQNPVSA-N 1 0 344.524 4.430 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCCOC1 ZINC000824134617 1049899532 /nfs/dbraw/zinc/89/95/32/1049899532.db2.gz ILZNGHLBNJDIOM-AEFFLSMTSA-N 1 0 344.524 4.289 20 10 EICDRO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000180721116 1049932817 /nfs/dbraw/zinc/93/28/17/1049932817.db2.gz LVCIYCKLJLGHOE-MSOLQXFVSA-N 1 0 329.440 4.162 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1O ZINC000180880131 1049956468 /nfs/dbraw/zinc/95/64/68/1049956468.db2.gz QRMHLUZNGAGZNZ-UHFFFAOYSA-N 1 0 337.341 4.037 20 10 EICDRO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172873605 1050212650 /nfs/dbraw/zinc/21/26/50/1050212650.db2.gz VLUYWKUTOOXRDI-LBPRGKRZSA-N 1 0 349.833 4.270 20 10 EICDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001177464625 1050214543 /nfs/dbraw/zinc/21/45/43/1050214543.db2.gz SIMRMGAFYBZZJE-JNLAIUADSA-N 1 0 338.495 4.440 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483283 1050223249 /nfs/dbraw/zinc/22/32/49/1050223249.db2.gz LJOWZHASXHETTM-HQMUEHRGSA-N 1 0 340.442 4.408 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001177604670 1050264490 /nfs/dbraw/zinc/26/44/90/1050264490.db2.gz QNGQLTQKZJZVME-UHFFFAOYSA-N 1 0 348.849 4.246 20 10 EICDRO CC[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001173274319 1050391920 /nfs/dbraw/zinc/39/19/20/1050391920.db2.gz PKEACGZMXCHFMA-REABXYAWSA-N 1 0 340.467 4.007 20 10 EICDRO FC(F)(F)c1c[nH+]ccc1NCc1ccc(N2CCCCC2)cc1 ZINC001186888734 1050436040 /nfs/dbraw/zinc/43/60/40/1050436040.db2.gz OILMSXORNKGSLD-UHFFFAOYSA-N 1 0 335.373 4.125 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC001178346791 1050440780 /nfs/dbraw/zinc/44/07/80/1050440780.db2.gz NFOHRAQLCUGBGX-VOTSOKGWSA-N 1 0 339.483 4.128 20 10 EICDRO C[N@H+](CCc1cccc(NCc2cc(Cl)cc(F)c2O)c1)C1CC1 ZINC001178347285 1050441619 /nfs/dbraw/zinc/44/16/19/1050441619.db2.gz SLOBDAAGRVEDBW-UHFFFAOYSA-N 1 0 348.849 4.434 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CCC2 ZINC001178369154 1050447410 /nfs/dbraw/zinc/44/74/10/1050447410.db2.gz GHMDBVXDUYINKH-LJQANCHMSA-N 1 0 346.421 4.207 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1 ZINC001178492725 1050468155 /nfs/dbraw/zinc/46/81/55/1050468155.db2.gz NOEKSXQQUUXHRT-IRLDBZIGSA-N 1 0 338.495 4.370 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000773753365 1050509947 /nfs/dbraw/zinc/50/99/47/1050509947.db2.gz HSVPKESLZQCUFR-MOPGFXCFSA-N 1 0 344.524 4.292 20 10 EICDRO C[C@@H]([NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC001173674849 1050524886 /nfs/dbraw/zinc/52/48/86/1050524886.db2.gz HAXROWKWBGMVQT-RBSFLKMASA-N 1 0 348.487 4.219 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]CCOc2ccc(F)c(Cl)c2)cc1 ZINC001178758855 1050547005 /nfs/dbraw/zinc/54/70/05/1050547005.db2.gz LLTSPEXJWYDKLH-ARJAWSKDSA-N 1 0 348.849 4.227 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C(C)(C)CN(C)C)cc1 ZINC001178867490 1050575265 /nfs/dbraw/zinc/57/52/65/1050575265.db2.gz HDHQLHNGBJYSQJ-UHFFFAOYSA-N 1 0 339.527 4.143 20 10 EICDRO FC(F)(F)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775137864 1050594859 /nfs/dbraw/zinc/59/48/59/1050594859.db2.gz QXPOKAWFRAHMPS-MRXNPFEDSA-N 1 0 326.406 4.451 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC001178972755 1050600860 /nfs/dbraw/zinc/60/08/60/1050600860.db2.gz ZAKRIONDLUWRMV-KRWDZBQOSA-N 1 0 333.479 4.330 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000182321429 1050604113 /nfs/dbraw/zinc/60/41/13/1050604113.db2.gz HWHDCPDGQGMVBU-LLVKDONJSA-N 1 0 346.477 4.437 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001179044655 1050612174 /nfs/dbraw/zinc/61/21/74/1050612174.db2.gz MCKCNBLHOBTZKD-YADHBBJMSA-N 1 0 343.559 4.420 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000182363333 1050629400 /nfs/dbraw/zinc/62/94/00/1050629400.db2.gz UUKPQJNRGJRSGA-LBPRGKRZSA-N 1 0 342.370 4.046 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)c2cccc3ccccc32)cc1 ZINC001179123177 1050637320 /nfs/dbraw/zinc/63/73/20/1050637320.db2.gz PMCTWNUFLLSYEN-FUMRIQNTSA-N 1 0 346.474 4.242 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000773815676 1050722943 /nfs/dbraw/zinc/72/29/43/1050722943.db2.gz JIMRBUKGOLFCNC-UHFFFAOYSA-N 1 0 337.492 4.352 20 10 EICDRO COc1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(O)c(C(C)(C)C)c1 ZINC001179699601 1050750945 /nfs/dbraw/zinc/75/09/45/1050750945.db2.gz CNJYLLMKZSJMLR-MRXNPFEDSA-N 1 0 347.499 4.280 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCSC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001179673536 1050755312 /nfs/dbraw/zinc/75/53/12/1050755312.db2.gz IGVHILZKJFCREB-AWEZNQCLSA-N 1 0 337.529 4.462 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001179788748 1050777936 /nfs/dbraw/zinc/77/79/36/1050777936.db2.gz DOJUKMOJNSBEFK-MWTRTKDXSA-N 1 0 348.490 4.361 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)cc2OC(C)(C)C)c1 ZINC000182631464 1050779158 /nfs/dbraw/zinc/77/91/58/1050779158.db2.gz CSRSSBCSPDJWBJ-UHFFFAOYSA-N 1 0 329.440 4.176 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050856997 /nfs/dbraw/zinc/85/69/97/1050856997.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 1 0 336.907 4.132 20 10 EICDRO CCc1cccc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1O ZINC001180019213 1050857404 /nfs/dbraw/zinc/85/74/04/1050857404.db2.gz WEHIBWDPIOOZEJ-UHFFFAOYSA-N 1 0 349.478 4.409 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001180112348 1050888366 /nfs/dbraw/zinc/88/83/66/1050888366.db2.gz IJHSYHBDGZFTEV-AWEZNQCLSA-N 1 0 330.422 4.459 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCCO1 ZINC000182960303 1050912770 /nfs/dbraw/zinc/91/27/70/1050912770.db2.gz FKAQSVVLWOIMGZ-HXUWFJFHSA-N 1 0 348.446 4.122 20 10 EICDRO CC[C@H]([NH2+]Cc1scnc1C)c1cc(Br)ccc1O ZINC000071212490 1051095071 /nfs/dbraw/zinc/09/50/71/1051095071.db2.gz UZKLEVIDYSZETJ-LBPRGKRZSA-N 1 0 341.274 4.161 20 10 EICDRO C[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(N(C)C)cc1 ZINC000775362058 1051128280 /nfs/dbraw/zinc/12/82/80/1051128280.db2.gz HHJUOSBOLBFSGM-AWEZNQCLSA-N 1 0 338.480 4.122 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000775364251 1051133326 /nfs/dbraw/zinc/13/33/26/1051133326.db2.gz QEYBKAXBGJWXOP-LLVKDONJSA-N 1 0 344.436 4.277 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccccc3)oc2C)c1 ZINC000775368687 1051133748 /nfs/dbraw/zinc/13/37/48/1051133748.db2.gz DUJOHMVNWUOBNZ-ZDUSSCGKSA-N 1 0 338.407 4.215 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183595114 1051176925 /nfs/dbraw/zinc/17/69/25/1051176925.db2.gz AGVLLJFKRPIZSF-GJZGRUSLSA-N 1 0 331.481 4.480 20 10 EICDRO CCCN(Cc1ccccc1OCC(F)F)c1ccc(C[NH3+])cc1 ZINC001181444534 1051225419 /nfs/dbraw/zinc/22/54/19/1051225419.db2.gz BOUJZNONYDOQAC-UHFFFAOYSA-N 1 0 334.410 4.206 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)c1O ZINC001181485024 1051244648 /nfs/dbraw/zinc/24/46/48/1051244648.db2.gz HHPKZENRXZZCGL-OAHLLOKOSA-N 1 0 334.419 4.314 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2coc3ccccc23)c1 ZINC001181543298 1051248626 /nfs/dbraw/zinc/24/86/26/1051248626.db2.gz CISMTLNTLZWCTB-UONOGXRCSA-N 1 0 325.408 4.429 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2SC)c1 ZINC001181543580 1051250580 /nfs/dbraw/zinc/25/05/80/1051250580.db2.gz GBDFFMRYJDJRHS-UONOGXRCSA-N 1 0 331.481 4.405 20 10 EICDRO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321000 1051396895 /nfs/dbraw/zinc/39/68/95/1051396895.db2.gz CBQNOQLXNWAOMO-INIZCTEOSA-N 1 0 330.369 4.011 20 10 EICDRO COc1ccc(C[N@H+](C(C)C)[C@H](C)c2ccccc2)c(O)c1OC ZINC001182151687 1051407115 /nfs/dbraw/zinc/40/71/15/1051407115.db2.gz CMGARSHYBMEDHG-OAHLLOKOSA-N 1 0 329.440 4.381 20 10 EICDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774256100 1051530451 /nfs/dbraw/zinc/53/04/51/1051530451.db2.gz DZYYTZMDARAPMY-APPDUMDISA-N 1 0 340.250 4.392 20 10 EICDRO CCOc1ccc(CC[NH2+][C@@H](CC)c2ccccc2O)cc1OCC ZINC000775483105 1051550707 /nfs/dbraw/zinc/55/07/07/1051550707.db2.gz KWLRISRYANBVFG-SFHVURJKSA-N 1 0 343.467 4.473 20 10 EICDRO CC[C@H]([NH2+]CCOc1ccccc1OC)c1cc(Cl)ccc1O ZINC000775483618 1051555162 /nfs/dbraw/zinc/55/51/62/1051555162.db2.gz ZWMOKAHRNBDRGG-HNNXBMFYSA-N 1 0 335.831 4.174 20 10 EICDRO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000774378487 1051568092 /nfs/dbraw/zinc/56/80/92/1051568092.db2.gz AVJMDBBAVZCKKS-OAHLLOKOSA-N 1 0 332.463 4.036 20 10 EICDRO C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000774378485 1051570231 /nfs/dbraw/zinc/57/02/31/1051570231.db2.gz AVJMDBBAVZCKKS-HNNXBMFYSA-N 1 0 332.463 4.036 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1O ZINC000775488871 1051570837 /nfs/dbraw/zinc/57/08/37/1051570837.db2.gz VVVWHUHNFXIZEV-HZPDHXFCSA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1O ZINC000775493274 1051591019 /nfs/dbraw/zinc/59/10/19/1051591019.db2.gz WWXNHDKHICSQSP-KRWDZBQOSA-N 1 0 329.440 4.429 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482090 1051610747 /nfs/dbraw/zinc/61/07/47/1051610747.db2.gz FPNKOHHLIDJEAC-ZIAGYGMSSA-N 1 0 345.874 4.084 20 10 EICDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484077 1051610824 /nfs/dbraw/zinc/61/08/24/1051610824.db2.gz OBPCFLGWYJBMSM-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO Oc1ccccc1C[N@H+](CCCc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001192011429 1051611804 /nfs/dbraw/zinc/61/18/04/1051611804.db2.gz CASXMLPIFCJBSE-FQEVSTJZSA-N 1 0 343.442 4.145 20 10 EICDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485389 1051614498 /nfs/dbraw/zinc/61/44/98/1051614498.db2.gz UXBYBGQHPMBMHL-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)C2)cc1 ZINC001182508339 1051622273 /nfs/dbraw/zinc/62/22/73/1051622273.db2.gz LMMIHTQDSWJHKL-MBOZVWFJSA-N 1 0 330.516 4.326 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)cn3)CC2)cc1 ZINC000775499866 1051622747 /nfs/dbraw/zinc/62/27/47/1051622747.db2.gz GIGBWNJLVCKFQB-AWEZNQCLSA-N 1 0 345.874 4.063 20 10 EICDRO CC[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1O ZINC000775508664 1051639458 /nfs/dbraw/zinc/63/94/58/1051639458.db2.gz DWQBFKOXLCQBCX-CQSZACIVSA-N 1 0 340.254 4.247 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1O ZINC000775513471 1051651189 /nfs/dbraw/zinc/65/11/89/1051651189.db2.gz ZNCGBWUCOMVRAC-MAUKXSAKSA-N 1 0 330.859 4.365 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](=O)CC)C1)c1cc(Cl)ccc1O ZINC000775513478 1051651741 /nfs/dbraw/zinc/65/17/41/1051651741.db2.gz ZQEAVCGDRNCCBO-RUEUISIXSA-N 1 0 343.920 4.166 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1O ZINC000775513475 1051651840 /nfs/dbraw/zinc/65/18/40/1051651840.db2.gz ZNCGBWUCOMVRAC-YJBOKZPZSA-N 1 0 330.859 4.365 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(Cl)ccc1O ZINC000775514431 1051666502 /nfs/dbraw/zinc/66/65/02/1051666502.db2.gz VOXQDVNMYJFTTC-AWEZNQCLSA-N 1 0 325.239 4.377 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1O ZINC001182755013 1051686685 /nfs/dbraw/zinc/68/66/85/1051686685.db2.gz PHVJCRHNPCBOPF-LJQANCHMSA-N 1 0 349.833 4.357 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(Cl)ccc1O ZINC000775523130 1051691429 /nfs/dbraw/zinc/69/14/29/1051691429.db2.gz GZLBRIUVWRIREP-CQSZACIVSA-N 1 0 347.821 4.312 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1N1CCCCC1 ZINC001192301567 1051696721 /nfs/dbraw/zinc/69/67/21/1051696721.db2.gz AVDUCLZCZQJCID-NRFANRHFSA-N 1 0 342.527 4.234 20 10 EICDRO CC[C@@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccccc1O ZINC000775526252 1051712790 /nfs/dbraw/zinc/71/27/90/1051712790.db2.gz POSUDLOPNSASNF-GOSISDBHSA-N 1 0 329.440 4.083 20 10 EICDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775526888 1051713826 /nfs/dbraw/zinc/71/38/26/1051713826.db2.gz MZOWAUXFMZUHLJ-GOSISDBHSA-N 1 0 328.412 4.364 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001183035443 1051768594 /nfs/dbraw/zinc/76/85/94/1051768594.db2.gz GKEXVNVDOYNLDN-UHFFFAOYSA-N 1 0 342.458 4.244 20 10 EICDRO COc1cc(C)cc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)c1O ZINC001183023883 1051772705 /nfs/dbraw/zinc/77/27/05/1051772705.db2.gz JZFAKYKMSFECJE-OAQYLSRUSA-N 1 0 325.452 4.167 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1O ZINC000775540537 1051789441 /nfs/dbraw/zinc/78/94/41/1051789441.db2.gz LQPUUXCEINPNDP-AETAKHFUSA-N 1 0 335.875 4.434 20 10 EICDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001192744708 1051801692 /nfs/dbraw/zinc/80/16/92/1051801692.db2.gz HUGREZLFMHDEHN-KUHUBIRLSA-N 1 0 332.875 4.272 20 10 EICDRO CCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CCCc2cccnc21 ZINC000774606390 1051811454 /nfs/dbraw/zinc/81/14/54/1051811454.db2.gz ZENHDWDJBOLVFN-SFHVURJKSA-N 1 0 340.467 4.394 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000775551014 1051819052 /nfs/dbraw/zinc/81/90/52/1051819052.db2.gz GDCFYQRLYBFBOR-FUHWJXTLSA-N 1 0 333.859 4.080 20 10 EICDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000774612450 1051826823 /nfs/dbraw/zinc/82/68/23/1051826823.db2.gz PFUYDWFHFNJGOW-GOSISDBHSA-N 1 0 340.467 4.394 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2F)cc1Cl ZINC001183355930 1051828422 /nfs/dbraw/zinc/82/84/22/1051828422.db2.gz YSMVUQUUNYVBPB-UHFFFAOYSA-N 1 0 345.748 4.384 20 10 EICDRO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552896 1051831973 /nfs/dbraw/zinc/83/19/73/1051831973.db2.gz YKOYROVEXKJSFX-UONOGXRCSA-N 1 0 339.769 4.498 20 10 EICDRO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001183582186 1051870730 /nfs/dbraw/zinc/87/07/30/1051870730.db2.gz JETHSOMZTSWFAD-MRXNPFEDSA-N 1 0 347.842 4.366 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775580495 1051885532 /nfs/dbraw/zinc/88/55/32/1051885532.db2.gz CHIOZNQTSOEEIH-LSDHHAIUSA-N 1 0 327.428 4.381 20 10 EICDRO COc1ccc(Nc2[nH]cc[nH+]2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001176082529 1051889261 /nfs/dbraw/zinc/88/92/61/1051889261.db2.gz ASCFDZLPVFPQRO-UHFFFAOYSA-N 1 0 327.771 4.046 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC001183939497 1051921906 /nfs/dbraw/zinc/92/19/06/1051921906.db2.gz NEAXNJAMRUQKJG-NRFANRHFSA-N 1 0 325.452 4.309 20 10 EICDRO Cc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001193472231 1051928856 /nfs/dbraw/zinc/92/88/56/1051928856.db2.gz FQNKVQKAFSOFPG-UHFFFAOYSA-N 1 0 330.516 4.375 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1O ZINC001184238968 1051976482 /nfs/dbraw/zinc/97/64/82/1051976482.db2.gz IAXOQMOCNKFYMB-LLVKDONJSA-N 1 0 348.231 4.378 20 10 EICDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC001184265623 1051981358 /nfs/dbraw/zinc/98/13/58/1051981358.db2.gz UCLIDKRZJGETFW-KDOFPFPSSA-N 1 0 336.907 4.178 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](Cc1ccccc1)OC ZINC001193838984 1051996528 /nfs/dbraw/zinc/99/65/28/1051996528.db2.gz OKHFJUKLPQEQEJ-FQEVSTJZSA-N 1 0 327.468 4.252 20 10 EICDRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccc1N1CCCCC1 ZINC001194306142 1052123501 /nfs/dbraw/zinc/12/35/01/1052123501.db2.gz FTNIXUCUJGMXJM-HXUWFJFHSA-N 1 0 330.516 4.112 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1C(C)C ZINC000184809188 1052232563 /nfs/dbraw/zinc/23/25/63/1052232563.db2.gz TZVSQEGZCUDRIL-QFIPXVFZSA-N 1 0 337.463 4.455 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c(O)c1 ZINC000185053269 1052379905 /nfs/dbraw/zinc/37/99/05/1052379905.db2.gz PKUMJECEPFLRQV-GOSISDBHSA-N 1 0 338.495 4.324 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(O)c1 ZINC000185062621 1052388825 /nfs/dbraw/zinc/38/88/25/1052388825.db2.gz WOGKNEQWQBAMQX-MRXNPFEDSA-N 1 0 342.508 4.105 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)c1 ZINC000185127327 1052447690 /nfs/dbraw/zinc/44/76/90/1052447690.db2.gz WKUCFRDCAOXNKP-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000185160654 1052495818 /nfs/dbraw/zinc/49/58/18/1052495818.db2.gz GPLDDEVQKGTXAB-GJZGRUSLSA-N 1 0 340.423 4.069 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000185245383 1052550003 /nfs/dbraw/zinc/55/00/03/1052550003.db2.gz ZUTQJTIWQTZIDD-SJORKVTESA-N 1 0 344.524 4.325 20 10 EICDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000185319331 1052580636 /nfs/dbraw/zinc/58/06/36/1052580636.db2.gz JFLJPLVJJUHPPI-AWEZNQCLSA-N 1 0 339.439 4.335 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cc(F)ccc1O ZINC000185721691 1052685924 /nfs/dbraw/zinc/68/59/24/1052685924.db2.gz VMPZDBZBJWEGEC-BZNIZROVSA-N 1 0 331.412 4.130 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000186003033 1052841299 /nfs/dbraw/zinc/84/12/99/1052841299.db2.gz NLXBKUHMJQPWHA-SJCJKPOMSA-N 1 0 339.357 4.104 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850117422 1053076733 /nfs/dbraw/zinc/07/67/33/1053076733.db2.gz BLNTYXUMHPTGQZ-GFCCVEGCSA-N 1 0 334.485 4.314 20 10 EICDRO Fc1ccc(OC(F)F)c(C[NH2+]CCCSc2nccs2)c1 ZINC000850147518 1053078506 /nfs/dbraw/zinc/07/85/06/1053078506.db2.gz WHXMTCZLESWUAN-UHFFFAOYSA-N 1 0 348.415 4.156 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764463669 1053114316 /nfs/dbraw/zinc/11/43/16/1053114316.db2.gz PAXZECXKFRYBMA-QFBILLFUSA-N 1 0 343.540 4.302 20 10 EICDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862767 1053127918 /nfs/dbraw/zinc/12/79/18/1053127918.db2.gz DYUZZHVSFNAZIM-RTWAWAEBSA-N 1 0 342.527 4.375 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)c2cccc(OC)c2)cc1 ZINC000850362757 1053134582 /nfs/dbraw/zinc/13/45/82/1053134582.db2.gz SATYTDYMQJZMAO-OAQYLSRUSA-N 1 0 342.483 4.019 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850380411 1053151500 /nfs/dbraw/zinc/15/15/00/1053151500.db2.gz VATWKOVMDZAQNJ-UHFFFAOYSA-N 1 0 340.515 4.214 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000850377445 1053155331 /nfs/dbraw/zinc/15/53/31/1053155331.db2.gz HOSCCVSJMLVUET-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764574426 1053201122 /nfs/dbraw/zinc/20/11/22/1053201122.db2.gz RRUIWXUGTCIKPQ-ROUUACIJSA-N 1 0 331.529 4.158 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000850482555 1053254191 /nfs/dbraw/zinc/25/41/91/1053254191.db2.gz PMCUCKKSHZETMG-NEPJUHHUSA-N 1 0 335.245 4.004 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)C2)cc1 ZINC000850485848 1053257242 /nfs/dbraw/zinc/25/72/42/1053257242.db2.gz BQFQHHXFEOMSHI-VVWQDTPRSA-N 1 0 342.508 4.117 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)cc1 ZINC000850489558 1053257712 /nfs/dbraw/zinc/25/77/12/1053257712.db2.gz VGCYXDAPSBGMRR-AEFFLSMTSA-N 1 0 347.462 4.173 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000850489641 1053261076 /nfs/dbraw/zinc/26/10/76/1053261076.db2.gz WEENJTQZSSDBBI-HOCLYGCPSA-N 1 0 338.442 4.078 20 10 EICDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1O ZINC000850504807 1053263286 /nfs/dbraw/zinc/26/32/86/1053263286.db2.gz FQDDRJJHSXFVAR-BONVTDFDSA-N 1 0 335.341 4.072 20 10 EICDRO CC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000775636433 1053265901 /nfs/dbraw/zinc/26/59/01/1053265901.db2.gz BPHKZAROWAUISH-UHFFFAOYSA-N 1 0 348.494 4.175 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764717573 1053279359 /nfs/dbraw/zinc/27/93/59/1053279359.db2.gz RUFNXXSAUKEMAU-QFBILLFUSA-N 1 0 326.484 4.041 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523278 1053282067 /nfs/dbraw/zinc/28/20/67/1053282067.db2.gz FCYFXQBBUKGZMX-UYAOXDASSA-N 1 0 337.463 4.367 20 10 EICDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742636 1053285270 /nfs/dbraw/zinc/28/52/70/1053285270.db2.gz AIVBUHYRRVVSPR-AVRDEDQJSA-N 1 0 337.511 4.240 20 10 EICDRO C[C@H]([NH2+]CCCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764745766 1053289937 /nfs/dbraw/zinc/28/99/37/1053289937.db2.gz SLHLFLCGDYSWAS-IBGZPJMESA-N 1 0 338.495 4.197 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000764750754 1053294234 /nfs/dbraw/zinc/29/42/34/1053294234.db2.gz WQRQKNAUKKMSAL-MOPGFXCFSA-N 1 0 332.875 4.180 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1 ZINC000764755707 1053296307 /nfs/dbraw/zinc/29/63/07/1053296307.db2.gz VWSVIRYTTSPOPF-BEFAXECRSA-N 1 0 331.529 4.158 20 10 EICDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000850540551 1053301397 /nfs/dbraw/zinc/30/13/97/1053301397.db2.gz MOCQQKNIKABDHC-XERREHJYSA-N 1 0 349.478 4.341 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764763054 1053301734 /nfs/dbraw/zinc/30/17/34/1053301734.db2.gz QOVHGKOVSNOQQQ-RTBURBONSA-N 1 0 331.529 4.158 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000850539764 1053302640 /nfs/dbraw/zinc/30/26/40/1053302640.db2.gz GBNXMLFSKBYHOU-YEWWUXTCSA-N 1 0 347.890 4.150 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000850541300 1053303735 /nfs/dbraw/zinc/30/37/35/1053303735.db2.gz UZSBXWWLTJDJEQ-FHLIZLRMSA-N 1 0 347.890 4.231 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1O ZINC000850545137 1053305222 /nfs/dbraw/zinc/30/52/22/1053305222.db2.gz FDKCNNSFIQBWKM-IAOVAPTHSA-N 1 0 333.472 4.178 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1O ZINC000850551476 1053306295 /nfs/dbraw/zinc/30/62/95/1053306295.db2.gz IQEVMHBYYIJIIK-QPUJVOFHSA-N 1 0 334.204 4.097 20 10 EICDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850555208 1053308771 /nfs/dbraw/zinc/30/87/71/1053308771.db2.gz NKBYHGCASAKIGA-FASAQXTFSA-N 1 0 333.859 4.454 20 10 EICDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c1 ZINC000775644318 1053309083 /nfs/dbraw/zinc/30/90/83/1053309083.db2.gz HAXGWYWFDDOOHN-SFHVURJKSA-N 1 0 327.424 4.055 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c(O)c1C ZINC000850554429 1053309958 /nfs/dbraw/zinc/30/99/58/1053309958.db2.gz JKCZPSQJLJSFKV-PWIZWCRZSA-N 1 0 327.468 4.418 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000850566981 1053320013 /nfs/dbraw/zinc/32/00/13/1053320013.db2.gz VQTQMRRIPZRUEY-NRFANRHFSA-N 1 0 330.516 4.096 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCCCC4)cc2)CC1 ZINC000850568455 1053323256 /nfs/dbraw/zinc/32/32/56/1053323256.db2.gz XUAQNNIJCRXNTJ-OAQYLSRUSA-N 1 0 342.527 4.240 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000850570198 1053325381 /nfs/dbraw/zinc/32/53/81/1053325381.db2.gz FSKZVWSTZHXMFH-OCCSQVGLSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@H]([NH2+]CCC1SCCS1)c1ccc(Br)cc1O ZINC000850570477 1053325690 /nfs/dbraw/zinc/32/56/90/1053325690.db2.gz JRZGPEZQCRXQBP-VIFPVBQESA-N 1 0 348.331 4.002 20 10 EICDRO Cc1cc(C[N@@H+](C(C)C)C2CCOCC2)c(C)n1-c1ccccc1 ZINC001137859459 1053333169 /nfs/dbraw/zinc/33/31/69/1053333169.db2.gz ZXOZJHBWARHNRB-UHFFFAOYSA-N 1 0 326.484 4.484 20 10 EICDRO CC(C)([NH2+]Cc1cc(Br)ccc1O)c1cccs1 ZINC000735085475 1053353561 /nfs/dbraw/zinc/35/35/61/1053353561.db2.gz CERLMGMQEPSOJL-UHFFFAOYSA-N 1 0 326.259 4.241 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000120216162 1053359534 /nfs/dbraw/zinc/35/95/34/1053359534.db2.gz DBUPCHCUFZHWOW-BJLQDIEVSA-N 1 0 330.516 4.269 20 10 EICDRO COc1ccc(O)c(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000775649136 1053369993 /nfs/dbraw/zinc/36/99/93/1053369993.db2.gz LTJDSIIADHFPLS-UHFFFAOYSA-N 1 0 348.446 4.480 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1O ZINC000794794795 1053380226 /nfs/dbraw/zinc/38/02/26/1053380226.db2.gz GFPGWZGWBRPVTB-RBUKOAKNSA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C)cc1O ZINC000794799048 1053384637 /nfs/dbraw/zinc/38/46/37/1053384637.db2.gz YFJXQQFMVBKMRB-FQEVSTJZSA-N 1 0 335.451 4.186 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C)cc1O ZINC000794802399 1053384875 /nfs/dbraw/zinc/38/48/75/1053384875.db2.gz FCJCSNHAUOIYGV-ZWKOTPCHSA-N 1 0 330.472 4.417 20 10 EICDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962438 1053399294 /nfs/dbraw/zinc/39/92/94/1053399294.db2.gz JDBQEDOYXQXOOU-LDQXTDLNSA-N 1 0 345.506 4.093 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccc(C)cc1O ZINC000794806706 1053404193 /nfs/dbraw/zinc/40/41/93/1053404193.db2.gz VMEPKHMBMCCBQQ-SFHVURJKSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1O ZINC000794813315 1053419377 /nfs/dbraw/zinc/41/93/77/1053419377.db2.gz CEUGHAHDGABFPT-INIZCTEOSA-N 1 0 341.430 4.010 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C)cc1O ZINC000794808832 1053419559 /nfs/dbraw/zinc/41/95/59/1053419559.db2.gz CLQIGUHFRXUVED-OAHLLOKOSA-N 1 0 336.476 4.045 20 10 EICDRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109773662 1053422339 /nfs/dbraw/zinc/42/23/39/1053422339.db2.gz XQRDOHAMWBYJIS-CQSZACIVSA-N 1 0 346.858 4.121 20 10 EICDRO CC[C@H]([NH2+]CCN(CC)CCC(F)(F)F)c1ccc(C)cc1O ZINC000794813803 1053422423 /nfs/dbraw/zinc/42/24/23/1053422423.db2.gz JVKIMONSOLOJRS-HNNXBMFYSA-N 1 0 332.410 4.016 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000794826430 1053429319 /nfs/dbraw/zinc/42/93/19/1053429319.db2.gz SGARZEOETVTXBP-GHTZIAJQSA-N 1 0 340.511 4.441 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000794824631 1053430613 /nfs/dbraw/zinc/43/06/13/1053430613.db2.gz KTCNGOOSMJLYJW-HKUYNNGSSA-N 1 0 327.468 4.389 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C)cc1O ZINC000794818560 1053431982 /nfs/dbraw/zinc/43/19/82/1053431982.db2.gz UAWXMYAWJUIYTP-QUCCMNQESA-N 1 0 325.452 4.255 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000794823579 1053437765 /nfs/dbraw/zinc/43/77/65/1053437765.db2.gz FVWUGRKPKDPBTC-CRAIPNDOSA-N 1 0 331.431 4.220 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247575 1053475434 /nfs/dbraw/zinc/47/54/34/1053475434.db2.gz AZGMNGIJPGOSTO-MOPGFXCFSA-N 1 0 328.504 4.105 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765262552 1053481941 /nfs/dbraw/zinc/48/19/41/1053481941.db2.gz RBBIWSIGJCYBRA-LSDHHAIUSA-N 1 0 348.487 4.006 20 10 EICDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256882 1053483954 /nfs/dbraw/zinc/48/39/54/1053483954.db2.gz YUEMEFSVGBCCCA-ZIAGYGMSSA-N 1 0 345.512 4.008 20 10 EICDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298890 1053496288 /nfs/dbraw/zinc/49/62/88/1053496288.db2.gz XRCXXRFVNKQTQJ-YADHBBJMSA-N 1 0 344.543 4.200 20 10 EICDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298885 1053497046 /nfs/dbraw/zinc/49/70/46/1053497046.db2.gz XRCXXRFVNKQTQJ-FCHUYYIVSA-N 1 0 344.543 4.200 20 10 EICDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765299066 1053497384 /nfs/dbraw/zinc/49/73/84/1053497384.db2.gz ZMNWVIIJDJGULO-UTKZUKDTSA-N 1 0 332.532 4.200 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000765313992 1053499720 /nfs/dbraw/zinc/49/97/20/1053499720.db2.gz YKWUPQYFSVNQMI-IRXDYDNUSA-N 1 0 341.474 4.069 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)cc1F ZINC000865455784 1053513166 /nfs/dbraw/zinc/51/31/66/1053513166.db2.gz FTPHOABTTQKYFC-UHFFFAOYSA-N 1 0 337.389 4.294 20 10 EICDRO Fc1cccc2cc(C[NH2+]CCCSc3nccs3)cnc12 ZINC000865469175 1053516360 /nfs/dbraw/zinc/51/63/60/1053516360.db2.gz RKBKFVGQJZVXQT-UHFFFAOYSA-N 1 0 333.457 4.102 20 10 EICDRO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)c1ccccc1O ZINC001203536405 1053523305 /nfs/dbraw/zinc/52/33/05/1053523305.db2.gz RFAXSVYNNRYXAK-SECBINFHSA-N 1 0 341.636 4.054 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000765443127 1053553642 /nfs/dbraw/zinc/55/36/42/1053553642.db2.gz ZVCFECRKMKLCSD-DYESRHJHSA-N 1 0 325.500 4.015 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000765477929 1053561390 /nfs/dbraw/zinc/56/13/90/1053561390.db2.gz AAASXAUUVIJVHL-KRWDZBQOSA-N 1 0 337.511 4.376 20 10 EICDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775712501 1053648051 /nfs/dbraw/zinc/64/80/51/1053648051.db2.gz CQCHJTDYMGVYMW-CQSZACIVSA-N 1 0 331.843 4.352 20 10 EICDRO CCn1nccc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000853239342 1053655682 /nfs/dbraw/zinc/65/56/82/1053655682.db2.gz FVMAWGUJHFJSBV-HXUWFJFHSA-N 1 0 335.451 4.072 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001196394244 1053657062 /nfs/dbraw/zinc/65/70/62/1053657062.db2.gz WBAKHEWCECSFIY-QGZVFWFLSA-N 1 0 330.422 4.410 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242353 1053657258 /nfs/dbraw/zinc/65/72/58/1053657258.db2.gz PMUKZNYNYWAPIT-MAUKXSAKSA-N 1 0 333.435 4.224 20 10 EICDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614400 1053712861 /nfs/dbraw/zinc/71/28/61/1053712861.db2.gz OFQVVEBDNHXIBR-RTLBZRNLSA-N 1 0 342.527 4.480 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1O ZINC000866405289 1053716877 /nfs/dbraw/zinc/71/68/77/1053716877.db2.gz WJDRVPRHWIRILG-FXHACXQTSA-N 1 0 347.842 4.235 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(Cl)cc1O ZINC000866423004 1053724442 /nfs/dbraw/zinc/72/44/42/1053724442.db2.gz LRAGDOSBLFVRAS-CYBMUJFWSA-N 1 0 347.842 4.116 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(OC)c1OC ZINC000866506976 1053756140 /nfs/dbraw/zinc/75/61/40/1053756140.db2.gz AFXZZVQBBVEHLP-HOTGVXAUSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000866508514 1053757757 /nfs/dbraw/zinc/75/77/57/1053757757.db2.gz NRNOQFZDVPUCIB-BBRMVZONSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000866508833 1053758413 /nfs/dbraw/zinc/75/84/13/1053758413.db2.gz SBCOIAMUAMXBOZ-BLLLJJGKSA-N 1 0 333.403 4.350 20 10 EICDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000866512008 1053762780 /nfs/dbraw/zinc/76/27/80/1053762780.db2.gz HHXBZNZGEORENN-JNAXZKDPSA-N 1 0 325.452 4.401 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1O ZINC000866542073 1053778941 /nfs/dbraw/zinc/77/89/41/1053778941.db2.gz WFYORXZGOYAQRR-VIFPVBQESA-N 1 0 329.293 4.123 20 10 EICDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000765607387 1053797856 /nfs/dbraw/zinc/79/78/56/1053797856.db2.gz DKRZJERKZDPVEJ-GFCCVEGCSA-N 1 0 347.842 4.143 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632083 1053811224 /nfs/dbraw/zinc/81/12/24/1053811224.db2.gz HUKDEFSPWJIZIK-XLIONFOSSA-N 1 0 338.499 4.449 20 10 EICDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765645935 1053831037 /nfs/dbraw/zinc/83/10/37/1053831037.db2.gz XWLGFUWDZJBVBG-KBXCAEBGSA-N 1 0 338.442 4.425 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776775616 1053872662 /nfs/dbraw/zinc/87/26/62/1053872662.db2.gz CTQBQVZCPOPHSB-IBGZPJMESA-N 1 0 331.500 4.389 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC001199354493 1054390718 /nfs/dbraw/zinc/39/07/18/1054390718.db2.gz SWNVQXPZEBKMBN-UHFFFAOYSA-N 1 0 326.459 4.493 20 10 EICDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000872113733 1054393623 /nfs/dbraw/zinc/39/36/23/1054393623.db2.gz RXWBVUZPYGDGRF-HKUYNNGSSA-N 1 0 344.499 4.061 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1O ZINC000872115600 1054396717 /nfs/dbraw/zinc/39/67/17/1054396717.db2.gz DWMHOCDHRWZLCV-MRVPVSSYSA-N 1 0 348.727 4.449 20 10 EICDRO C[C@@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(N(C)C)cc1 ZINC000872121999 1054400174 /nfs/dbraw/zinc/40/01/74/1054400174.db2.gz IPLZJVRXQXGTGQ-CQSZACIVSA-N 1 0 338.480 4.122 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000872122771 1054402690 /nfs/dbraw/zinc/40/26/90/1054402690.db2.gz ZJMORAFOQOCOBO-CQSZACIVSA-N 1 0 339.464 4.378 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1OC(C)C ZINC000775963522 1054410097 /nfs/dbraw/zinc/41/00/97/1054410097.db2.gz BHCIKCHUHXBUOR-UHFFFAOYSA-N 1 0 335.831 4.131 20 10 EICDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000775971100 1054417400 /nfs/dbraw/zinc/41/74/00/1054417400.db2.gz FYYNVXRDSVGKQG-UHFFFAOYSA-N 1 0 349.438 4.485 20 10 EICDRO CCC[N@H+](Cc1cccc(OCC)c1O)[C@H]1CCCc2cccnc21 ZINC000775994705 1054433658 /nfs/dbraw/zinc/43/36/58/1054433658.db2.gz LBEMJXMWSOQKKK-SFHVURJKSA-N 1 0 340.467 4.476 20 10 EICDRO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858238094 1054443532 /nfs/dbraw/zinc/44/35/32/1054443532.db2.gz UJJVURMBNGKUHN-UHFFFAOYSA-N 1 0 326.223 4.306 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000858239497 1054444455 /nfs/dbraw/zinc/44/44/55/1054444455.db2.gz OHBSWRQDYKELCM-UHFFFAOYSA-N 1 0 330.859 4.244 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858298612 1054458243 /nfs/dbraw/zinc/45/82/43/1054458243.db2.gz MSCYUKGUWJMBTE-PXNSSMCTSA-N 1 0 342.508 4.042 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC001199843001 1054476384 /nfs/dbraw/zinc/47/63/84/1054476384.db2.gz LYTMHPIPNBSUSX-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO CC(C)OCc1ccccc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199844237 1054476776 /nfs/dbraw/zinc/47/67/76/1054476776.db2.gz WSLHAMXCFRQGNA-BQYQJAHWSA-N 1 0 338.495 4.481 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1C ZINC000873130893 1054490392 /nfs/dbraw/zinc/49/03/92/1054490392.db2.gz IRMJGWFCJBZUDM-TZIWHRDSSA-N 1 0 340.467 4.189 20 10 EICDRO CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000858448815 1054493252 /nfs/dbraw/zinc/49/32/52/1054493252.db2.gz GOQDMNXQDXLATN-JSGCOSHPSA-N 1 0 347.768 4.086 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1cc(Cl)ccc1O ZINC000858495453 1054501230 /nfs/dbraw/zinc/50/12/30/1054501230.db2.gz DPRRDCGHQIOJLI-SFHVURJKSA-N 1 0 346.858 4.269 20 10 EICDRO Cc1cc(CN[C@H]2CCCn3ccnc32)c(C)n1-c1cccc(C)c1 ZINC000858543632 1054511936 /nfs/dbraw/zinc/51/19/36/1054511936.db2.gz VACLJSNDSHLPEF-FQEVSTJZSA-N 1 0 334.467 4.224 20 10 EICDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858545632 1054512480 /nfs/dbraw/zinc/51/24/80/1054512480.db2.gz HHHRMARJURGFCL-JNAXZKDPSA-N 1 0 332.463 4.034 20 10 EICDRO CO[C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000858593294 1054528627 /nfs/dbraw/zinc/52/86/27/1054528627.db2.gz ZALHUAIOBZVJAK-WSTZPKSXSA-N 1 0 325.452 4.081 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1O ZINC000858604955 1054534231 /nfs/dbraw/zinc/53/42/31/1054534231.db2.gz QPPYOGOQSONETC-LBPRGKRZSA-N 1 0 333.378 4.409 20 10 EICDRO CCOc1cccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)c1O ZINC000116348175 1054566845 /nfs/dbraw/zinc/56/68/45/1054566845.db2.gz YTNAGBAISXNNJX-UHFFFAOYSA-N 1 0 341.451 4.359 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Oc1ccccc1F ZINC001200912010 1054573336 /nfs/dbraw/zinc/57/33/36/1054573336.db2.gz WTNDEIOLGNPAQW-IBGZPJMESA-N 1 0 342.458 4.373 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000124593942 1054574903 /nfs/dbraw/zinc/57/49/03/1054574903.db2.gz KPIRKVYQQJPOGH-IAGOWNOFSA-N 1 0 342.458 4.117 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000825715952 1054637101 /nfs/dbraw/zinc/63/71/01/1054637101.db2.gz KULLQLCVLDUXBV-GOSISDBHSA-N 1 0 333.859 4.203 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001201664648 1054879188 /nfs/dbraw/zinc/87/91/88/1054879188.db2.gz QGYWXVOXONMOTK-BTYIYWSLSA-N 1 0 340.442 4.492 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742648 1054892981 /nfs/dbraw/zinc/89/29/81/1054892981.db2.gz RUTKYMQSUUJPMQ-XXIDSNJLSA-N 1 0 340.442 4.408 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000776221255 1054938610 /nfs/dbraw/zinc/93/86/10/1054938610.db2.gz UMQCCAORRTVSND-BJOHPYRUSA-N 1 0 344.213 4.050 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CCOCC1 ZINC000126115746 1054948269 /nfs/dbraw/zinc/94/82/69/1054948269.db2.gz HMKHDEMUYAEIOC-CVEARBPZSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC001201920787 1054950394 /nfs/dbraw/zinc/95/03/94/1054950394.db2.gz UAJJWYUHYDNSDG-OAHLLOKOSA-N 1 0 329.513 4.335 20 10 EICDRO CN(c1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1)C1CCCCC1 ZINC000876988852 1054994439 /nfs/dbraw/zinc/99/44/39/1054994439.db2.gz OIDMABDVEKLHOM-UHFFFAOYSA-N 1 0 344.890 4.189 20 10 EICDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928473 1054998365 /nfs/dbraw/zinc/99/83/65/1054998365.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 1 0 335.879 4.025 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001202058157 1055003399 /nfs/dbraw/zinc/00/33/99/1055003399.db2.gz LGDFHXIWCPBEAX-MJGOQNOKSA-N 1 0 326.459 4.393 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cc1F ZINC001202084066 1055023328 /nfs/dbraw/zinc/02/33/28/1055023328.db2.gz RRVKFKNWSUSWFL-UHFFFAOYSA-N 1 0 330.422 4.286 20 10 EICDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326514 1055049411 /nfs/dbraw/zinc/04/94/11/1055049411.db2.gz PHNJHGWHDYWCGU-MLGOLLRUSA-N 1 0 347.256 4.133 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)CCc2cncc3ccccc32)c1O ZINC000877526133 1055070555 /nfs/dbraw/zinc/07/05/55/1055070555.db2.gz PXWRFSBKMPWAPZ-HNNXBMFYSA-N 1 0 336.435 4.060 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000118952301 1055070896 /nfs/dbraw/zinc/07/08/96/1055070896.db2.gz KEJVRZCQODOYDU-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c(OC)c1 ZINC000862485858 1055073949 /nfs/dbraw/zinc/07/39/49/1055073949.db2.gz SIXFPAZAEWMVGZ-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccns1 ZINC000862539937 1055080343 /nfs/dbraw/zinc/08/03/43/1055080343.db2.gz VBKQRRBBSWIHMP-JTQLQIEISA-N 1 0 329.391 4.079 20 10 EICDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000776255724 1055086333 /nfs/dbraw/zinc/08/63/33/1055086333.db2.gz HKQPFCVYJWIGSK-BFUOFWGJSA-N 1 0 349.858 4.228 20 10 EICDRO CC(C)[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC001202212571 1055089099 /nfs/dbraw/zinc/08/90/99/1055089099.db2.gz GUEIXRCLMHVNKF-XUNUUDMTSA-N 1 0 338.495 4.114 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1O ZINC000877757389 1055113658 /nfs/dbraw/zinc/11/36/58/1055113658.db2.gz WUTVCBMJDWKCRL-JTQLQIEISA-N 1 0 327.758 4.498 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757871 1055115531 /nfs/dbraw/zinc/11/55/31/1055115531.db2.gz XLQYOWFZQOVCRA-HGHGUNKESA-N 1 0 336.479 4.411 20 10 EICDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1OC ZINC000877806238 1055122837 /nfs/dbraw/zinc/12/28/37/1055122837.db2.gz WPRQSUKKOOGYEK-UHFFFAOYSA-N 1 0 335.469 4.058 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC(C)C)c2ccccc2)c1 ZINC000794461408 1055125349 /nfs/dbraw/zinc/12/53/49/1055125349.db2.gz JMIFXQPQKRTAJQ-QRWLVFNGSA-N 1 0 329.440 4.218 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000765781587 1055287670 /nfs/dbraw/zinc/28/76/70/1055287670.db2.gz VLTCTMSAJOGCKB-WAOWUJCRSA-N 1 0 337.511 4.239 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000765781585 1055288806 /nfs/dbraw/zinc/28/88/06/1055288806.db2.gz VLTCTMSAJOGCKB-BBTUJRGHSA-N 1 0 337.511 4.239 20 10 EICDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(N2CCCCCC2)cc1 ZINC000127098855 1055299823 /nfs/dbraw/zinc/29/98/23/1055299823.db2.gz RXTOPBUZABDSOW-GOSISDBHSA-N 1 0 326.488 4.004 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C1CC1 ZINC000765804594 1055387139 /nfs/dbraw/zinc/38/71/39/1055387139.db2.gz KUTZXGRYZOZEOQ-ROUUACIJSA-N 1 0 329.532 4.200 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1C ZINC000765814868 1055504357 /nfs/dbraw/zinc/50/43/57/1055504357.db2.gz IWJMZSYRBMKQLR-IFXJQAMLSA-N 1 0 333.859 4.221 20 10 EICDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc2ccccc2c1O ZINC000186485790 1056563151 /nfs/dbraw/zinc/56/31/51/1056563151.db2.gz PNHMEKIWFOLTQY-HNNXBMFYSA-N 1 0 345.446 4.325 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165265 1058524442 /nfs/dbraw/zinc/52/44/42/1058524442.db2.gz JEJQHBXMIRSBRP-LAUBAEHRSA-N 1 0 325.452 4.279 20 10 EICDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000742381230 1058584450 /nfs/dbraw/zinc/58/44/50/1058584450.db2.gz XCZGAGZGWCLREH-LLVKDONJSA-N 1 0 338.245 4.167 20 10 EICDRO CCc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000743408580 1058990393 /nfs/dbraw/zinc/99/03/93/1058990393.db2.gz HOMSRYOTIINXHL-UHFFFAOYSA-N 1 0 331.500 4.255 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870307 1059189312 /nfs/dbraw/zinc/18/93/12/1059189312.db2.gz POLDRZKTBYWYDH-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000744448571 1059525671 /nfs/dbraw/zinc/52/56/71/1059525671.db2.gz UTAFXWFRYNISBN-QGZVFWFLSA-N 1 0 327.468 4.194 20 10 EICDRO CC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccc(N(C)C)cc1 ZINC000766350796 1060285743 /nfs/dbraw/zinc/28/57/43/1060285743.db2.gz PRSMICFLVXKFQH-SFHVURJKSA-N 1 0 337.467 4.486 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000766438218 1060358624 /nfs/dbraw/zinc/35/86/24/1060358624.db2.gz RHTRCPZYYMKEDP-IOMROCGXSA-N 1 0 330.516 4.269 20 10 EICDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766487032 1060390590 /nfs/dbraw/zinc/39/05/90/1060390590.db2.gz BRDBAROIBSLUJF-IAGOWNOFSA-N 1 0 341.474 4.493 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766539041 1060515854 /nfs/dbraw/zinc/51/58/54/1060515854.db2.gz UBXOKBULRRVAFX-BQFCYCMXSA-N 1 0 345.506 4.092 20 10 EICDRO C[C@@H]([NH2+]CCSc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC001169461975 1060830440 /nfs/dbraw/zinc/83/04/40/1060830440.db2.gz MUVDIWHNTBVXKV-CYBMUJFWSA-N 1 0 336.451 4.474 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000767188008 1061138809 /nfs/dbraw/zinc/13/88/09/1061138809.db2.gz DGRUDDPUHIPUEL-FQEVSTJZSA-N 1 0 340.467 4.155 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000236961748 1032840727 /nfs/dbraw/zinc/84/07/27/1032840727.db2.gz MEIJQJKFNKYZCS-HXUWFJFHSA-N 1 0 337.511 4.149 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(COC(C)(C)C)c2)c1 ZINC000237053128 1032843347 /nfs/dbraw/zinc/84/33/47/1032843347.db2.gz IPIQRURSWRAOHX-UHFFFAOYSA-N 1 0 343.467 4.396 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154400227 1019756290 /nfs/dbraw/zinc/75/62/90/1019756290.db2.gz LKINDUJTKFKRNT-HNNXBMFYSA-N 1 0 328.431 4.372 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1 ZINC000275093356 1020134326 /nfs/dbraw/zinc/13/43/26/1020134326.db2.gz ALMYRDBIALVDAK-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO COc1ccc(N2CCC[N@H+](CCCSC(C)(C)C)CC2)cc1 ZINC001167107881 1020183785 /nfs/dbraw/zinc/18/37/85/1020183785.db2.gz JRINMFOATYTWDE-UHFFFAOYSA-N 1 0 336.545 4.129 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1O ZINC000155039557 1020200883 /nfs/dbraw/zinc/20/08/83/1020200883.db2.gz HREFDLPGZMKKEC-IBGZPJMESA-N 1 0 340.467 4.115 20 10 EICDRO CCOC[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000748095665 1020302795 /nfs/dbraw/zinc/30/27/95/1020302795.db2.gz SYVAQNOTFXRUFO-AWEZNQCLSA-N 1 0 325.408 4.150 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1O ZINC000155169994 1020308290 /nfs/dbraw/zinc/30/82/90/1020308290.db2.gz LTGMBRORHUFCMT-CJNGLKHVSA-N 1 0 345.439 4.220 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000748098734 1020334741 /nfs/dbraw/zinc/33/47/41/1020334741.db2.gz LOBUSHQFGGVTNE-UHFFFAOYSA-N 1 0 333.479 4.341 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)CC(C)C)c1O ZINC001167241267 1020654308 /nfs/dbraw/zinc/65/43/08/1020654308.db2.gz VYQGURGLQVTAHU-UHFFFAOYSA-N 1 0 329.415 4.392 20 10 EICDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000310651682 1021414065 /nfs/dbraw/zinc/41/40/65/1021414065.db2.gz VLJWTRISPUJYPV-ZIAGYGMSSA-N 1 0 344.455 4.109 20 10 EICDRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177742280 1021637003 /nfs/dbraw/zinc/63/70/03/1021637003.db2.gz BBFIQQPCJCJTQI-GJZGRUSLSA-N 1 0 348.487 4.006 20 10 EICDRO CC[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C)cc1O ZINC000279942843 1033011830 /nfs/dbraw/zinc/01/18/30/1033011830.db2.gz BHDXNHKGPXWYET-HNNXBMFYSA-N 1 0 343.858 4.482 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccoc1 ZINC000178071033 1021888231 /nfs/dbraw/zinc/88/82/31/1021888231.db2.gz HOOSJXKVFURPEG-UKRRQHHQSA-N 1 0 336.382 4.201 20 10 EICDRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178136907 1022019591 /nfs/dbraw/zinc/01/95/91/1022019591.db2.gz BNNDFWKQAPTRIH-ZGRWHYIRSA-N 1 0 340.442 4.026 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000892568870 1022210330 /nfs/dbraw/zinc/21/03/30/1022210330.db2.gz NNMZMQUWBVNWEC-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000398117250 1022248057 /nfs/dbraw/zinc/24/80/57/1022248057.db2.gz GCTAKTNIMYXVDG-LVCYWYKZSA-N 1 0 337.511 4.066 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001167431133 1022390775 /nfs/dbraw/zinc/39/07/75/1022390775.db2.gz IPZSHLLPBVMCBX-UHFFFAOYSA-N 1 0 349.400 4.069 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895642 1022420107 /nfs/dbraw/zinc/42/01/07/1022420107.db2.gz OBEOXUMCFHFGLW-IRXDYDNUSA-N 1 0 326.488 4.212 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716233 1022804447 /nfs/dbraw/zinc/80/44/47/1022804447.db2.gz FNWYHEWQUQQOLR-MOPGFXCFSA-N 1 0 328.431 4.456 20 10 EICDRO CCOc1ccc(CC[NH2+][C@H](C)c2ccccc2O)cc1OCC ZINC000183381186 1022862220 /nfs/dbraw/zinc/86/22/20/1022862220.db2.gz MPUSSRHRUHEMLB-OAHLLOKOSA-N 1 0 329.440 4.083 20 10 EICDRO Oc1ccccc1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228406545 1022862334 /nfs/dbraw/zinc/86/23/34/1022862334.db2.gz BACIONMIIDZHOV-UHFFFAOYSA-N 1 0 332.241 4.191 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000185126633 1023009240 /nfs/dbraw/zinc/00/92/40/1023009240.db2.gz CHSCMHQSRIRWKU-SFHVURJKSA-N 1 0 339.479 4.408 20 10 EICDRO c1csc(SCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166643901 1023115755 /nfs/dbraw/zinc/11/57/55/1023115755.db2.gz JHSOSBRZLJYARC-NVXWUHKLSA-N 1 0 348.537 4.383 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376892041 1023330318 /nfs/dbraw/zinc/33/03/18/1023330318.db2.gz GSCRKJHXXVXXBG-LSDHHAIUSA-N 1 0 337.423 4.032 20 10 EICDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000707142128 1023492907 /nfs/dbraw/zinc/49/29/07/1023492907.db2.gz FZFLUCPSELXHRF-MRXNPFEDSA-N 1 0 332.241 4.492 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000162624642 1023624571 /nfs/dbraw/zinc/62/45/71/1023624571.db2.gz HNXFGGLYXRZESE-MRXNPFEDSA-N 1 0 339.483 4.320 20 10 EICDRO Oc1cccc(Cl)c1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000377690467 1023690441 /nfs/dbraw/zinc/69/04/41/1023690441.db2.gz GOCIIGGLBLGLEW-HNNXBMFYSA-N 1 0 347.846 4.423 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1cc(Br)ccc1O ZINC000313814625 1024329825 /nfs/dbraw/zinc/32/98/25/1024329825.db2.gz BSBJXHMTERYBLQ-MRXNPFEDSA-N 1 0 349.272 4.407 20 10 EICDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(N2CCCCCC2)cc1 ZINC000178472489 1025269718 /nfs/dbraw/zinc/26/97/18/1025269718.db2.gz JONYEAOYYBENTH-INIZCTEOSA-N 1 0 329.513 4.417 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1O ZINC000277197658 1025323578 /nfs/dbraw/zinc/32/35/78/1025323578.db2.gz VKFRMXJPGCWTOP-MSOLQXFVSA-N 1 0 337.423 4.108 20 10 EICDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c(C)n1 ZINC000157501006 1025871773 /nfs/dbraw/zinc/87/17/73/1025871773.db2.gz DZIYCNBDLUNOPV-INIZCTEOSA-N 1 0 338.499 4.181 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157821954 1026072813 /nfs/dbraw/zinc/07/28/13/1026072813.db2.gz XHMDPXQQUUONEG-BSIFCXSSSA-N 1 0 328.500 4.285 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1O ZINC000934292364 1026169124 /nfs/dbraw/zinc/16/91/24/1026169124.db2.gz YNDAHFLTSXGZIQ-LJQANCHMSA-N 1 0 344.430 4.314 20 10 EICDRO CCc1cccc(C[NH2+]CCc2sccc2Br)c1O ZINC000713034118 1026181893 /nfs/dbraw/zinc/18/18/93/1026181893.db2.gz FRDYEGMHYQHMTP-UHFFFAOYSA-N 1 0 340.286 4.111 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001167549624 1026191390 /nfs/dbraw/zinc/19/13/90/1026191390.db2.gz OKTBLVAFCTUJCY-UHFFFAOYSA-N 1 0 342.527 4.460 20 10 EICDRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553855 1026191503 /nfs/dbraw/zinc/19/15/03/1026191503.db2.gz KCXUGLTVKHVGMC-ZIAGYGMSSA-N 1 0 346.446 4.321 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)c(O)c1OC ZINC000894658155 1026287717 /nfs/dbraw/zinc/28/77/17/1026287717.db2.gz RFFSGBMMKAABSI-CYBMUJFWSA-N 1 0 327.424 4.138 20 10 EICDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1O ZINC000894786122 1026439510 /nfs/dbraw/zinc/43/95/10/1026439510.db2.gz DVOKCBYLECPWOD-OKILXGFUSA-N 1 0 331.378 4.262 20 10 EICDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2cccs2)CCC1 ZINC000894788522 1026442118 /nfs/dbraw/zinc/44/21/18/1026442118.db2.gz RFPQTAAGRDMJQT-LJQANCHMSA-N 1 0 343.492 4.067 20 10 EICDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000107821286 1026572294 /nfs/dbraw/zinc/57/22/94/1026572294.db2.gz LAOFEOMVJKXEHF-PMACEKPBSA-N 1 0 330.516 4.218 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000158843215 1026685195 /nfs/dbraw/zinc/68/51/95/1026685195.db2.gz XRHSOFVVJKLMEZ-KKSFZXQISA-N 1 0 349.482 4.135 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cc2)c1 ZINC000049514847 1026724691 /nfs/dbraw/zinc/72/46/91/1026724691.db2.gz AGESMMQEIIUQPA-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000113326861 1026782277 /nfs/dbraw/zinc/78/22/77/1026782277.db2.gz YUWQXUBWAZQYLB-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000108092332 1026786866 /nfs/dbraw/zinc/78/68/66/1026786866.db2.gz BNIDMTLXIPUTEV-UHFFFAOYSA-N 1 0 330.859 4.061 20 10 EICDRO CCc1cnc(C[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000185584712 1027769034 /nfs/dbraw/zinc/76/90/34/1027769034.db2.gz WVURJZPSJVAVRU-SECBINFHSA-N 1 0 341.274 4.024 20 10 EICDRO C[C@@H]([NH2+]Cc1sccc1Br)c1cc(F)ccc1O ZINC000148056131 1027892085 /nfs/dbraw/zinc/89/20/85/1027892085.db2.gz UPWGHKPBCHGISM-MRVPVSSYSA-N 1 0 330.222 4.206 20 10 EICDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000123650686 1028085075 /nfs/dbraw/zinc/08/50/75/1028085075.db2.gz ACRZHELEMTYKBK-CYBMUJFWSA-N 1 0 333.476 4.432 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(Br)cn1 ZINC000280981231 1028323832 /nfs/dbraw/zinc/32/38/32/1028323832.db2.gz LZXLEBWYGGEVDH-VHSXEESVSA-N 1 0 339.208 4.101 20 10 EICDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000281155411 1028419120 /nfs/dbraw/zinc/41/91/20/1028419120.db2.gz VKCJVHQJYSDXAM-XDHUDOTRSA-N 1 0 348.556 4.019 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1O ZINC000185228985 1030133830 /nfs/dbraw/zinc/13/38/30/1030133830.db2.gz XSFHBIALPLGDPU-ZDUSSCGKSA-N 1 0 327.815 4.082 20 10 EICDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185676146 1030215855 /nfs/dbraw/zinc/21/58/55/1030215855.db2.gz SLXUHVBPFLQPEW-UONOGXRCSA-N 1 0 339.414 4.437 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(-c2ccccc2)no1 ZINC000186192735 1030257741 /nfs/dbraw/zinc/25/77/41/1030257741.db2.gz LMZHNKUPTMKSHJ-STQMWFEESA-N 1 0 341.386 4.036 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527775013 1030853454 /nfs/dbraw/zinc/85/34/54/1030853454.db2.gz XQTOHOMEVPXWQU-QGZVFWFLSA-N 1 0 347.256 4.181 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1O ZINC000527929648 1030971808 /nfs/dbraw/zinc/97/18/08/1030971808.db2.gz DVGYGZZZBFLVEC-MLGOLLRUSA-N 1 0 349.356 4.196 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1O ZINC000280045995 1035144906 /nfs/dbraw/zinc/14/49/06/1035144906.db2.gz JFPWVITWVGGWHN-LJQANCHMSA-N 1 0 338.451 4.068 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000280274418 1035226585 /nfs/dbraw/zinc/22/65/85/1035226585.db2.gz YCBMKSLOZPYNBX-QWHCGFSZSA-N 1 0 348.288 4.322 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000163639150 1035650026 /nfs/dbraw/zinc/65/00/26/1035650026.db2.gz WEAKCTVFOOTOHU-SJORKVTESA-N 1 0 345.531 4.021 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)ccc1OC ZINC000168796880 1035746715 /nfs/dbraw/zinc/74/67/15/1035746715.db2.gz YNJSGCNSYGLADP-INIZCTEOSA-N 1 0 342.483 4.401 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000156342013 1035892467 /nfs/dbraw/zinc/89/24/67/1035892467.db2.gz OLEVVDHZMUEWQL-RDJZCZTQSA-N 1 0 327.449 4.381 20 10 EICDRO Cc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc1N1CCCCC1 ZINC001168393651 1036866399 /nfs/dbraw/zinc/86/63/99/1036866399.db2.gz TWYABFNOESHCJB-OAQYLSRUSA-N 1 0 342.527 4.234 20 10 EICDRO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271962868 1037065629 /nfs/dbraw/zinc/06/56/29/1037065629.db2.gz GQCSVXVEXHSKHV-MRXNPFEDSA-N 1 0 340.442 4.002 20 10 EICDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163583074 1037147063 /nfs/dbraw/zinc/14/70/63/1037147063.db2.gz AZRKNBKITCRTSP-OAQYLSRUSA-N 1 0 338.520 4.325 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CCOCC1)c1cc(Br)ccc1O ZINC000229563582 1037262279 /nfs/dbraw/zinc/26/22/79/1037262279.db2.gz YCJWBMYSGNNORC-AWEZNQCLSA-N 1 0 342.277 4.012 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349417 1037427053 /nfs/dbraw/zinc/42/70/53/1037427053.db2.gz BIHZLTULDDPPIW-SCLBCKFNSA-N 1 0 335.394 4.326 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273377376 1037438124 /nfs/dbraw/zinc/43/81/24/1037438124.db2.gz GDTOXGNSNBJNCH-UYAOXDASSA-N 1 0 329.415 4.192 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000273444683 1037467337 /nfs/dbraw/zinc/46/73/37/1037467337.db2.gz ZMMSAFPIJVSFJO-MRXNPFEDSA-N 1 0 347.462 4.226 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c(O)c1C ZINC000273446119 1037467743 /nfs/dbraw/zinc/46/77/43/1037467743.db2.gz ZZDIEGAAJFJEPW-OAHLLOKOSA-N 1 0 339.414 4.185 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273468870 1037474477 /nfs/dbraw/zinc/47/44/77/1037474477.db2.gz RSDBZYLSRDJDQN-JNAXZKDPSA-N 1 0 329.415 4.411 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273488022 1037481869 /nfs/dbraw/zinc/48/18/69/1037481869.db2.gz MSTUQWBELLOQGP-KDOFPFPSSA-N 1 0 335.806 4.195 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000273534500 1037497806 /nfs/dbraw/zinc/49/78/06/1037497806.db2.gz XATIANDAJYYQMP-CQSZACIVSA-N 1 0 339.464 4.112 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560448 1037508089 /nfs/dbraw/zinc/50/80/89/1037508089.db2.gz HYMZKRNLISVZHI-WFASDCNBSA-N 1 0 348.878 4.165 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1nnc2n1CCCCC2 ZINC000273579610 1037513631 /nfs/dbraw/zinc/51/36/31/1037513631.db2.gz MJNGSDKRLPQLBU-WBVHZDCISA-N 1 0 342.487 4.129 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Br)ccc1O ZINC000273608680 1037522800 /nfs/dbraw/zinc/52/28/00/1037522800.db2.gz VBLZKOYUCVFWRB-ZUZCIYMTSA-N 1 0 348.240 4.198 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000760872189 1037552523 /nfs/dbraw/zinc/55/25/23/1037552523.db2.gz ZKGYUNLGRZFHGF-QUJCMNEKSA-N 1 0 349.858 4.481 20 10 EICDRO CCC(CC)(C[NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)OC ZINC000760871873 1037552940 /nfs/dbraw/zinc/55/29/40/1037552940.db2.gz WCFQWNIENCXHPV-CQSZACIVSA-N 1 0 329.440 4.175 20 10 EICDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157715244 1037919607 /nfs/dbraw/zinc/91/96/07/1037919607.db2.gz WGTLOOVSPPUKBR-UONOGXRCSA-N 1 0 326.431 4.281 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423086091 1037946218 /nfs/dbraw/zinc/94/62/18/1037946218.db2.gz MJLXSNVIAQPNSA-UYAOXDASSA-N 1 0 333.479 4.070 20 10 EICDRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CC2 ZINC000163611617 1038003445 /nfs/dbraw/zinc/00/34/45/1038003445.db2.gz FVXYMULWSGDDJA-HXUWFJFHSA-N 1 0 342.483 4.156 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000173331297 1038255346 /nfs/dbraw/zinc/25/53/46/1038255346.db2.gz PDNDAIRDXSTWEY-AWEZNQCLSA-N 1 0 348.462 4.369 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(Br)cc1O ZINC000927033779 1039270101 /nfs/dbraw/zinc/27/01/01/1039270101.db2.gz UICWFTWXFMASEV-JFGNBEQYSA-N 1 0 330.291 4.089 20 10 EICDRO Cc1nnsc1[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000929184832 1039381349 /nfs/dbraw/zinc/38/13/49/1039381349.db2.gz MKKZWPCFGSXKFL-HNNXBMFYSA-N 1 0 330.501 4.030 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1O ZINC000159990469 1040301381 /nfs/dbraw/zinc/30/13/81/1040301381.db2.gz SQBVGTBXKBYEAI-JSGCOSHPSA-N 1 0 342.277 4.153 20 10 EICDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000479433988 1040342754 /nfs/dbraw/zinc/34/27/54/1040342754.db2.gz BWUFGCARMLWNMO-OAHLLOKOSA-N 1 0 335.451 4.296 20 10 EICDRO COc1cc(O)c(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1OC ZINC000160120561 1040362522 /nfs/dbraw/zinc/36/25/22/1040362522.db2.gz XLJHXWMBKNYZGP-UHFFFAOYSA-N 1 0 347.842 4.232 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(Br)cc1O ZINC000757659601 1041493738 /nfs/dbraw/zinc/49/37/38/1041493738.db2.gz XRMCQYIFDQETGI-CMPLNLGQSA-N 1 0 330.291 4.091 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168437942 1041932684 /nfs/dbraw/zinc/93/26/84/1041932684.db2.gz KRUSPTXCPYEIBJ-JOCHJYFZSA-N 1 0 338.470 4.415 20 10 EICDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000295104784 1042435232 /nfs/dbraw/zinc/43/52/32/1042435232.db2.gz UCFBAVWKWHOWSH-UHFFFAOYSA-N 1 0 349.400 4.381 20 10 EICDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)cc(Cl)c1[O-] ZINC000296256857 1042568418 /nfs/dbraw/zinc/56/84/18/1042568418.db2.gz DCKYQDOUWFSLTJ-IAYQEVDDSA-N 1 0 343.298 4.365 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1C(C)C ZINC000766031444 1043072480 /nfs/dbraw/zinc/07/24/80/1043072480.db2.gz UTQRATYKDGPXSP-QGZVFWFLSA-N 1 0 347.499 4.378 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000163625701 1043253023 /nfs/dbraw/zinc/25/30/23/1043253023.db2.gz QHRBBYTYXQHVJJ-HNNXBMFYSA-N 1 0 330.472 4.230 20 10 EICDRO CCC[N@H+](Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O ZINC000727831312 1043312717 /nfs/dbraw/zinc/31/27/17/1043312717.db2.gz VOVIKCOPYYKSAC-UHFFFAOYSA-N 1 0 333.435 4.261 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188536 1043391249 /nfs/dbraw/zinc/39/12/49/1043391249.db2.gz RLNPTSPVNPSMFY-MGPUTAFESA-N 1 0 340.467 4.326 20 10 EICDRO CC(C)COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000730107062 1043445279 /nfs/dbraw/zinc/44/52/79/1043445279.db2.gz VRALRIIPSFAEHS-UHFFFAOYSA-N 1 0 330.447 4.216 20 10 EICDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCCOC1 ZINC000730804785 1043627818 /nfs/dbraw/zinc/62/78/18/1043627818.db2.gz ZNZVFGVURBLGLK-AWEZNQCLSA-N 1 0 325.408 4.150 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000701094857 1043694111 /nfs/dbraw/zinc/69/41/11/1043694111.db2.gz QVTHQPUGXGFDNO-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO Cc1cnn(CCCCC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000732408659 1043921574 /nfs/dbraw/zinc/92/15/74/1043921574.db2.gz WXZBHYGITIDRJH-UHFFFAOYSA-N 1 0 340.515 4.092 20 10 EICDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)c1 ZINC000732486161 1043924338 /nfs/dbraw/zinc/92/43/38/1043924338.db2.gz JHLCERQKZWKGDA-LJQANCHMSA-N 1 0 341.451 4.363 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(COCc1ccccc1)OC)c1ccccc1O ZINC000702796018 1044005315 /nfs/dbraw/zinc/00/53/15/1044005315.db2.gz MBQWKQIDGAWTKV-FPOVZHCZSA-N 1 0 343.467 4.055 20 10 EICDRO Fc1cccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)c1F ZINC000732821155 1044013330 /nfs/dbraw/zinc/01/33/30/1044013330.db2.gz VAGBSDSSQWISBN-UHFFFAOYSA-N 1 0 330.422 4.287 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766190295 1044155948 /nfs/dbraw/zinc/15/59/48/1044155948.db2.gz DTMYDWSEIFMOEB-RNIPGJKVSA-N 1 0 346.490 4.282 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000733323226 1044182608 /nfs/dbraw/zinc/18/26/08/1044182608.db2.gz QWTCZENBFGSRLR-UHFFFAOYSA-N 1 0 329.749 4.397 20 10 EICDRO CCc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)cc1 ZINC000733321671 1044184647 /nfs/dbraw/zinc/18/46/47/1044184647.db2.gz GTFSFQIZPLITTM-GOSISDBHSA-N 1 0 332.875 4.001 20 10 EICDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cc2c1C ZINC000733325871 1044189629 /nfs/dbraw/zinc/18/96/29/1044189629.db2.gz VHTSEHOBHUAYAE-UHFFFAOYSA-N 1 0 325.431 4.280 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000922217284 1044238057 /nfs/dbraw/zinc/23/80/57/1044238057.db2.gz OOYIPBAAQZKVCC-XIRDDKMYSA-N 1 0 333.472 4.037 20 10 EICDRO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000733613223 1044268611 /nfs/dbraw/zinc/26/86/11/1044268611.db2.gz FQGBRARHYZFFDI-UHFFFAOYSA-N 1 0 347.890 4.422 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c(C(F)(F)F)c1 ZINC001203222129 1044294883 /nfs/dbraw/zinc/29/48/83/1044294883.db2.gz JWYIOLWKEKHBDN-ZDUSSCGKSA-N 1 0 336.348 4.152 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2CC(F)(F)F)c1O ZINC000895414436 1044730968 /nfs/dbraw/zinc/73/09/68/1044730968.db2.gz MLRJKALICFWMBF-UHFFFAOYSA-N 1 0 339.357 4.104 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000735677988 1044854771 /nfs/dbraw/zinc/85/47/71/1044854771.db2.gz TXEPHTMDNDLPEC-UYAOXDASSA-N 1 0 332.532 4.464 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000765998297 1044916414 /nfs/dbraw/zinc/91/64/14/1044916414.db2.gz KVZZZWXCILLFJY-XMSQKQJNSA-N 1 0 338.495 4.235 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000736280773 1044924048 /nfs/dbraw/zinc/92/40/48/1044924048.db2.gz XQUAFCGANPYPAC-UHFFFAOYSA-N 1 0 336.410 4.459 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCCc3cccnc32)c(O)c(C(C)(C)C)c1 ZINC000922884867 1045047735 /nfs/dbraw/zinc/04/77/35/1045047735.db2.gz GHLHYFUQWAXDIY-SFHVURJKSA-N 1 0 340.467 4.261 20 10 EICDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000156399531 1045048322 /nfs/dbraw/zinc/04/83/22/1045048322.db2.gz DHPZTENVYXGXBU-IBGZPJMESA-N 1 0 340.515 4.231 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412584 1045089718 /nfs/dbraw/zinc/08/97/18/1045089718.db2.gz LFEQJKYGJSHJSM-JXFKEZNVSA-N 1 0 338.499 4.139 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698903 1045138675 /nfs/dbraw/zinc/13/86/75/1045138675.db2.gz FFTOARCTLBNDRO-MGPUTAFESA-N 1 0 340.467 4.326 20 10 EICDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCCC1 ZINC000740014839 1045180274 /nfs/dbraw/zinc/18/02/74/1045180274.db2.gz WCYGDQSREHIFMD-NRFANRHFSA-N 1 0 330.516 4.098 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)cc1C ZINC000740864362 1045232871 /nfs/dbraw/zinc/23/28/71/1045232871.db2.gz FAUVUKZYLGTBGY-LJQANCHMSA-N 1 0 338.495 4.105 20 10 EICDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863694 1045233235 /nfs/dbraw/zinc/23/32/35/1045233235.db2.gz WSNNADLWYMOWKA-WOJBJXKFSA-N 1 0 343.467 4.189 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)cc1 ZINC000740898434 1045241187 /nfs/dbraw/zinc/24/11/87/1045241187.db2.gz OTQQGDTWMRLHBO-MOPGFXCFSA-N 1 0 340.511 4.210 20 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1045570359 /nfs/dbraw/zinc/57/03/59/1045570359.db2.gz AVASLWTYRPOVAS-SVMVAKDDSA-N 1 0 341.495 4.289 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccc(OCC4CC4)cc3)ccc21 ZINC000790962509 1045636373 /nfs/dbraw/zinc/63/63/73/1045636373.db2.gz OGHGDUSZMVWVHJ-UHFFFAOYSA-N 1 0 336.479 4.148 20 10 EICDRO C[C@@H]([NH2+]Cc1ccsc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000790958132 1045637650 /nfs/dbraw/zinc/63/76/50/1045637650.db2.gz JGCFFUMYWGTRPY-CYBMUJFWSA-N 1 0 336.888 4.089 20 10 EICDRO Oc1ccccc1C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163416 1045730690 /nfs/dbraw/zinc/73/06/90/1045730690.db2.gz YVCCUROCCAYJEO-HQMUEHRGSA-N 1 0 341.426 4.226 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1coc2ccccc12)C[C@H]1CCCO1 ZINC000768163290 1045731094 /nfs/dbraw/zinc/73/10/94/1045731094.db2.gz XQNAFARHMRJFRP-GOSISDBHSA-N 1 0 337.419 4.320 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccccc2NC(C)=O)cc1 ZINC000768209113 1045742781 /nfs/dbraw/zinc/74/27/81/1045742781.db2.gz ZUVKFUNWWSPMKW-UHFFFAOYSA-N 1 0 339.483 4.123 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(F)F)c1 ZINC000791443183 1045743720 /nfs/dbraw/zinc/74/37/20/1045743720.db2.gz QURXFHARSIPFSC-UHFFFAOYSA-N 1 0 346.421 4.093 20 10 EICDRO Cc1ccc(C2=CC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000768214420 1045754230 /nfs/dbraw/zinc/75/42/30/1045754230.db2.gz KPXYXXDJLROUFY-UHFFFAOYSA-N 1 0 348.490 4.121 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1F ZINC000768214856 1045754712 /nfs/dbraw/zinc/75/47/12/1045754712.db2.gz RQSAEILSDFHHAM-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO COc1cccc(O)c1C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000768258672 1045769027 /nfs/dbraw/zinc/76/90/27/1045769027.db2.gz VIVJIIAIIKTKCH-BBRMVZONSA-N 1 0 327.424 4.282 20 10 EICDRO C[N@H+](Cc1ccc(Br)o1)Cc1cc(Cl)ccc1O ZINC000768263458 1045773372 /nfs/dbraw/zinc/77/33/72/1045773372.db2.gz PQHRRQTXLBCWSJ-UHFFFAOYSA-N 1 0 330.609 4.033 20 10 EICDRO Cc1ccc(C[N@H+](Cc2cc(Br)ccc2O)C2CC2)o1 ZINC000768264493 1045774218 /nfs/dbraw/zinc/77/42/18/1045774218.db2.gz QJKDHTKGRKMJRS-UHFFFAOYSA-N 1 0 336.229 4.221 20 10 EICDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768335845 1045788730 /nfs/dbraw/zinc/78/87/30/1045788730.db2.gz ZVSNSKUSHRKILH-UHFFFAOYSA-N 1 0 348.487 4.134 20 10 EICDRO CC(C)[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000768357492 1045799446 /nfs/dbraw/zinc/79/94/46/1045799446.db2.gz LUDXZIYTCKQYRZ-UHFFFAOYSA-N 1 0 328.504 4.115 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)CCCC2 ZINC000768453578 1045808655 /nfs/dbraw/zinc/80/86/55/1045808655.db2.gz YYFMKZXURMLEPO-QFIPXVFZSA-N 1 0 337.463 4.235 20 10 EICDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000768465338 1045810507 /nfs/dbraw/zinc/81/05/07/1045810507.db2.gz ZQSKZGNSWAZESQ-VLIAUNLRSA-N 1 0 343.492 4.295 20 10 EICDRO COc1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)c(O)cc1C ZINC000768466534 1045810593 /nfs/dbraw/zinc/81/05/93/1045810593.db2.gz ROAFUBAJCRQQIM-UHFFFAOYSA-N 1 0 347.499 4.271 20 10 EICDRO CCC[N@H+](CCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000768524199 1045815304 /nfs/dbraw/zinc/81/53/04/1045815304.db2.gz LZWIOCCMHHVEMI-UHFFFAOYSA-N 1 0 344.524 4.039 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)cc1OC ZINC000768536548 1045816669 /nfs/dbraw/zinc/81/66/69/1045816669.db2.gz YJYGBKZJKHRTFM-OAQYLSRUSA-N 1 0 341.451 4.007 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OCC(C)C ZINC000768872955 1045851178 /nfs/dbraw/zinc/85/11/78/1045851178.db2.gz MWTLIOQVQGGVKT-UHFFFAOYSA-N 1 0 329.440 4.068 20 10 EICDRO CCCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OCC ZINC000768872763 1045851874 /nfs/dbraw/zinc/85/18/74/1045851874.db2.gz IKPIKCBERJNLRE-UHFFFAOYSA-N 1 0 329.440 4.212 20 10 EICDRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000768925861 1045861920 /nfs/dbraw/zinc/86/19/20/1045861920.db2.gz IGPWMUOFNJLKQA-UHFFFAOYSA-N 1 0 336.479 4.156 20 10 EICDRO CCC[N@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1ccccc1O ZINC000769200589 1045892789 /nfs/dbraw/zinc/89/27/89/1045892789.db2.gz ARJGAEGNYRRPKZ-UHFFFAOYSA-N 1 0 343.858 4.345 20 10 EICDRO CCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1O ZINC000769200990 1045894450 /nfs/dbraw/zinc/89/44/50/1045894450.db2.gz MLWMBBMFNPTFRQ-UHFFFAOYSA-N 1 0 339.414 4.334 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1C ZINC000769245778 1045899715 /nfs/dbraw/zinc/89/97/15/1045899715.db2.gz WVGSJZUBDPHKED-FPOVZHCZSA-N 1 0 325.452 4.097 20 10 EICDRO COc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c(O)c1 ZINC000237361543 1045920782 /nfs/dbraw/zinc/92/07/82/1045920782.db2.gz QQQLXEHOQORUFL-UHFFFAOYSA-N 1 0 333.431 4.323 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1O ZINC000769325929 1045923467 /nfs/dbraw/zinc/92/34/67/1045923467.db2.gz DHSSRRUNCAUCFQ-UHFFFAOYSA-N 1 0 347.405 4.449 20 10 EICDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769403464 1045952557 /nfs/dbraw/zinc/95/25/57/1045952557.db2.gz IGSNYDYHDDQMEZ-JOCHJYFZSA-N 1 0 338.495 4.352 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000769428825 1045961253 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Oc1ccc(-c2ccccc2)cc1C[NH2+]CCSCC(F)(F)F ZINC000769689134 1046039538 /nfs/dbraw/zinc/03/95/38/1046039538.db2.gz JPXIGVZPGJBYNT-UHFFFAOYSA-N 1 0 341.398 4.444 20 10 EICDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001170419110 1046051118 /nfs/dbraw/zinc/05/11/18/1046051118.db2.gz DKMOGQGLFDVVFS-MAUKXSAKSA-N 1 0 340.467 4.153 20 10 EICDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792830453 1046074834 /nfs/dbraw/zinc/07/48/34/1046074834.db2.gz YKZPXVICAKBUAD-UHFFFAOYSA-N 1 0 337.389 4.107 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)cc2F)c(C(F)(F)F)c1 ZINC000792944435 1046104930 /nfs/dbraw/zinc/10/49/30/1046104930.db2.gz DCEZZAVXWPECPM-UHFFFAOYSA-N 1 0 344.327 4.339 20 10 EICDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792931306 1046110960 /nfs/dbraw/zinc/11/09/60/1046110960.db2.gz UOOVNOCGQLPJKN-NHCUHLMSSA-N 1 0 344.543 4.200 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)cc1C ZINC000747096669 1046115596 /nfs/dbraw/zinc/11/55/96/1046115596.db2.gz ZOSDPNDKZXCQIG-NRFANRHFSA-N 1 0 338.495 4.239 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1O ZINC000769984987 1046122233 /nfs/dbraw/zinc/12/22/33/1046122233.db2.gz BOSDZYLJUKLZJX-NJSLBKSFSA-N 1 0 332.875 4.388 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000769989439 1046123323 /nfs/dbraw/zinc/12/33/23/1046123323.db2.gz NAIVJRVPSCGYJV-FVJLSDCUSA-N 1 0 325.500 4.095 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770289724 1046170303 /nfs/dbraw/zinc/17/03/03/1046170303.db2.gz GZQOYDCAZTZXCE-MLGOLLRUSA-N 1 0 337.872 4.195 20 10 EICDRO COCCCC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000793233580 1046179059 /nfs/dbraw/zinc/17/90/59/1046179059.db2.gz VTTRCUMPVUTSPT-IBGZPJMESA-N 1 0 329.440 4.048 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1C ZINC000770326711 1046182011 /nfs/dbraw/zinc/18/20/11/1046182011.db2.gz QVNPADLIXGJWKC-AZUAARDMSA-N 1 0 343.467 4.470 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000793270476 1046193580 /nfs/dbraw/zinc/19/35/80/1046193580.db2.gz SGMAMVIBGCHCTG-QAPCUYQASA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC000793267521 1046194361 /nfs/dbraw/zinc/19/43/61/1046194361.db2.gz BTIWQJJSPKICJZ-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000793351992 1046223052 /nfs/dbraw/zinc/22/30/52/1046223052.db2.gz LJNSITSLLUWAEA-YJBOKZPZSA-N 1 0 329.415 4.356 20 10 EICDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000793384942 1046229281 /nfs/dbraw/zinc/22/92/81/1046229281.db2.gz QHRNBIAWKGYWAW-UHFFFAOYSA-N 1 0 329.440 4.215 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c(O)c1 ZINC000793386569 1046230863 /nfs/dbraw/zinc/23/08/63/1046230863.db2.gz WRMBTMTXODYGGZ-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)c(O)c1 ZINC000793389570 1046231440 /nfs/dbraw/zinc/23/14/40/1046231440.db2.gz JVURSOHWMUCPKI-UHFFFAOYSA-N 1 0 329.440 4.116 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000770667660 1046244289 /nfs/dbraw/zinc/24/42/89/1046244289.db2.gz SYKFREFUZKBZSK-JOCHJYFZSA-N 1 0 336.479 4.164 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000770669978 1046245202 /nfs/dbraw/zinc/24/52/02/1046245202.db2.gz XSIHTDHHTUKNNA-UHFFFAOYSA-N 1 0 332.447 4.395 20 10 EICDRO COc1ncc([C@@H](C)[NH2+]CCCSc2nccs2)cc1Cl ZINC000793538319 1046274753 /nfs/dbraw/zinc/27/47/53/1046274753.db2.gz BLFKUBYHCCZJNT-SNVBAGLBSA-N 1 0 343.905 4.033 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc2ccccc2c1O ZINC000793566005 1046294616 /nfs/dbraw/zinc/29/46/16/1046294616.db2.gz JLUOHZNPGJJKSZ-LBPRGKRZSA-N 1 0 344.361 4.393 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC)cc1 ZINC000916836989 1046380295 /nfs/dbraw/zinc/38/02/95/1046380295.db2.gz DSGLLZDOOKSQEK-UHFFFAOYSA-N 1 0 332.875 4.485 20 10 EICDRO CCc1cccc(C[NH2+]Cc2cc(Br)cs2)c1O ZINC000691499381 1046380998 /nfs/dbraw/zinc/38/09/98/1046380998.db2.gz HBBBMAUEXSFDBH-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000771924208 1046518851 /nfs/dbraw/zinc/51/88/51/1046518851.db2.gz CWJBRBUQKPBGQZ-UHFFFAOYSA-N 1 0 336.435 4.254 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1OC(C)C ZINC000771935396 1046528387 /nfs/dbraw/zinc/52/83/87/1046528387.db2.gz RCQQXPGFMCGRHB-UHFFFAOYSA-N 1 0 342.483 4.180 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc2c(c1)COC2 ZINC000771934911 1046528744 /nfs/dbraw/zinc/52/87/44/1046528744.db2.gz HJFUUUCHTWWSDE-UHFFFAOYSA-N 1 0 336.479 4.339 20 10 EICDRO Cc1cccc2nc(CN(C)Cc3ccc(N4CCCCC4)cc3)cn21 ZINC000917019892 1046564445 /nfs/dbraw/zinc/56/44/45/1046564445.db2.gz LRBOYHCMQUOJOA-UHFFFAOYSA-N 1 0 348.494 4.265 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000917074320 1046635508 /nfs/dbraw/zinc/63/55/08/1046635508.db2.gz XHDCYCPZQUFBKQ-UHFFFAOYSA-N 1 0 346.478 4.103 20 10 EICDRO Cc1ccc2nc(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)cn2c1 ZINC000917075454 1046638170 /nfs/dbraw/zinc/63/81/70/1046638170.db2.gz WAJTYQMQXJPCRV-UHFFFAOYSA-N 1 0 336.483 4.119 20 10 EICDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000772468020 1046645404 /nfs/dbraw/zinc/64/54/04/1046645404.db2.gz QFGNWSXKLOXRTD-OCDPCBSRSA-N 1 0 330.516 4.411 20 10 EICDRO COC[C@@H]([NH2+]CCCSc1nccs1)c1ccc(Cl)cc1 ZINC000786832218 1046872069 /nfs/dbraw/zinc/87/20/69/1046872069.db2.gz XNMNMHIZPIVIRF-CQSZACIVSA-N 1 0 342.917 4.256 20 10 EICDRO CC(C)[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917463003 1046891434 /nfs/dbraw/zinc/89/14/34/1046891434.db2.gz UWVLHSVFZZFJDH-UHFFFAOYSA-N 1 0 333.815 4.185 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000787087284 1046906951 /nfs/dbraw/zinc/90/69/51/1046906951.db2.gz PEGOYARNOBCKIC-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO COc1cc(O)c(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)cc1OC ZINC000787436299 1047006140 /nfs/dbraw/zinc/00/61/40/1047006140.db2.gz VQAUADLHOYBJNA-KRWDZBQOSA-N 1 0 343.467 4.014 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000746693353 1047029014 /nfs/dbraw/zinc/02/90/14/1047029014.db2.gz MWUPSPXGFFZPLD-UHFFFAOYSA-N 1 0 337.511 4.205 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1O ZINC000788258313 1047146474 /nfs/dbraw/zinc/14/64/74/1047146474.db2.gz HFEXIMJUKHXFDN-JKSUJKDBSA-N 1 0 335.879 4.260 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1C ZINC000806173334 1047159318 /nfs/dbraw/zinc/15/93/18/1047159318.db2.gz XHIVXAZYHKKYOL-DNVCBOLYSA-N 1 0 330.447 4.102 20 10 EICDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175963 1047162437 /nfs/dbraw/zinc/16/24/37/1047162437.db2.gz GPUMFPSTDAMNBP-KUHUBIRLSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806176242 1047178439 /nfs/dbraw/zinc/17/84/39/1047178439.db2.gz KESYAIBZVSJFCX-RLCCDNCMSA-N 1 0 349.833 4.446 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157008 1047180919 /nfs/dbraw/zinc/18/09/19/1047180919.db2.gz AEANAQIBQDEEPA-OAHLLOKOSA-N 1 0 345.314 4.472 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000788592611 1047242022 /nfs/dbraw/zinc/24/20/22/1047242022.db2.gz DXYIUFWGQOPAPJ-CVEARBPZSA-N 1 0 348.487 4.059 20 10 EICDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000788627730 1047255000 /nfs/dbraw/zinc/25/50/00/1047255000.db2.gz QHUVSLMYFCOSTC-DQLDELGASA-N 1 0 326.484 4.161 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000788669340 1047266970 /nfs/dbraw/zinc/26/69/70/1047266970.db2.gz ZGMMVEZADCZJHX-MLGOLLRUSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000788670015 1047268270 /nfs/dbraw/zinc/26/82/70/1047268270.db2.gz HSQYWBWWKHUPDO-CVEARBPZSA-N 1 0 335.513 4.104 20 10 EICDRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3c(C)cc(C)cc3O)c21 ZINC000788731405 1047281120 /nfs/dbraw/zinc/28/11/20/1047281120.db2.gz BDNZPHBOGYJYPX-HNNXBMFYSA-N 1 0 338.451 4.392 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000788794825 1047304978 /nfs/dbraw/zinc/30/49/78/1047304978.db2.gz JKPJZYATAXLPBH-SJKOYZFVSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)c(O)c1 ZINC000788800840 1047305516 /nfs/dbraw/zinc/30/55/16/1047305516.db2.gz WCYBEHWBGROZTH-JTQLQIEISA-N 1 0 327.321 4.416 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc1C ZINC000806675485 1047344854 /nfs/dbraw/zinc/34/48/54/1047344854.db2.gz JJZJYUUUBKDIOG-SFHVURJKSA-N 1 0 332.875 4.050 20 10 EICDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000788981716 1047350923 /nfs/dbraw/zinc/35/09/23/1047350923.db2.gz USJKGUJITYXUEQ-LBPRGKRZSA-N 1 0 327.380 4.006 20 10 EICDRO COc1c2ccccc2oc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000789583965 1047443216 /nfs/dbraw/zinc/44/32/16/1047443216.db2.gz NDYJELUHKAHPRT-UHFFFAOYSA-N 1 0 347.798 4.099 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1O ZINC000789757222 1047468920 /nfs/dbraw/zinc/46/89/20/1047468920.db2.gz KZEFEPAIHPNHFS-UHFFFAOYSA-N 1 0 329.415 4.252 20 10 EICDRO C[NH+](C)[C@H]1CCOc2c(NCc3cccc(Cl)c3O)cccc21 ZINC000789777881 1047473775 /nfs/dbraw/zinc/47/37/75/1047473775.db2.gz MRZRZHJVCHZRMH-INIZCTEOSA-N 1 0 332.831 4.043 20 10 EICDRO C[NH+](C)[C@@H]1CCOc2c(NCc3cccc(Cl)c3O)cccc21 ZINC000789777884 1047474399 /nfs/dbraw/zinc/47/43/99/1047474399.db2.gz MRZRZHJVCHZRMH-MRXNPFEDSA-N 1 0 332.831 4.043 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897993846 1047521468 /nfs/dbraw/zinc/52/14/68/1047521468.db2.gz KOPGZJUQHZGVDM-LJQANCHMSA-N 1 0 328.456 4.290 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000790487428 1047598211 /nfs/dbraw/zinc/59/82/11/1047598211.db2.gz MBKDAAPNQKMCTQ-MOPGFXCFSA-N 1 0 340.515 4.082 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000824314010 1047852640 /nfs/dbraw/zinc/85/26/40/1047852640.db2.gz FTRVOVHFGKUTPR-HXUWFJFHSA-N 1 0 344.524 4.121 20 10 EICDRO COc1cccc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1O ZINC000814178929 1047868157 /nfs/dbraw/zinc/86/81/57/1047868157.db2.gz JFYFZXCDLYDTPA-MRXNPFEDSA-N 1 0 349.883 4.421 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1O ZINC000814169927 1047871506 /nfs/dbraw/zinc/87/15/06/1047871506.db2.gz OOVCMJFIOMBUHT-LLVKDONJSA-N 1 0 333.806 4.359 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3ccc(F)cc3C)CC2)c1O ZINC000814169193 1047871948 /nfs/dbraw/zinc/87/19/48/1047871948.db2.gz DXUOZLPSYLHQOT-UHFFFAOYSA-N 1 0 329.415 4.228 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000824485023 1047873931 /nfs/dbraw/zinc/87/39/31/1047873931.db2.gz YQPXEPTXTJTJMB-UHFFFAOYSA-N 1 0 340.471 4.044 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468027 1047877027 /nfs/dbraw/zinc/87/70/27/1047877027.db2.gz AMJHANWSLOQPKQ-SFHVURJKSA-N 1 0 333.378 4.236 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCCC2(F)F)ccc1OC ZINC000824543154 1047888392 /nfs/dbraw/zinc/88/83/92/1047888392.db2.gz DZXHLAMNOHJANH-INIZCTEOSA-N 1 0 327.415 4.147 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000824696026 1047903940 /nfs/dbraw/zinc/90/39/40/1047903940.db2.gz GOWPUMPRLCZRQS-GOSISDBHSA-N 1 0 335.806 4.434 20 10 EICDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824775843 1047931783 /nfs/dbraw/zinc/93/17/83/1047931783.db2.gz CCWRWQYIMXMCJS-LLVKDONJSA-N 1 0 336.229 4.053 20 10 EICDRO CC[N@H+](Cc1nc2ccccc2s1)Cc1ccc(N(C)C)cc1 ZINC001136958136 1047989397 /nfs/dbraw/zinc/98/93/97/1047989397.db2.gz ZVWNHHCZFCGMDG-UHFFFAOYSA-N 1 0 325.481 4.384 20 10 EICDRO COc1ccc(C[NH+](C)C)cc1NCc1cc(Cl)c(C)cc1O ZINC000824998355 1048008120 /nfs/dbraw/zinc/00/81/20/1048008120.db2.gz OYZUOFQXTLWNJN-UHFFFAOYSA-N 1 0 334.847 4.036 20 10 EICDRO Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000825046885 1048025151 /nfs/dbraw/zinc/02/51/51/1048025151.db2.gz YWKIREVTJTXJSF-QGZVFWFLSA-N 1 0 346.396 4.481 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2OC(F)F)cc1Cl ZINC000825077618 1048033590 /nfs/dbraw/zinc/03/35/90/1048033590.db2.gz CJUNYZFQVIQFQI-UHFFFAOYSA-N 1 0 327.758 4.245 20 10 EICDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000808680380 1048034112 /nfs/dbraw/zinc/03/41/12/1048034112.db2.gz LBMSWLRBMILGHZ-MSOLQXFVSA-N 1 0 332.532 4.200 20 10 EICDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000808681079 1048034331 /nfs/dbraw/zinc/03/43/31/1048034331.db2.gz WDJREYVMYGTDQO-HOTGVXAUSA-N 1 0 336.495 4.091 20 10 EICDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000825143720 1048041612 /nfs/dbraw/zinc/04/16/12/1048041612.db2.gz IHTQFAYJOIUPPH-DOMZBBRYSA-N 1 0 331.378 4.268 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1O ZINC000808694368 1048041628 /nfs/dbraw/zinc/04/16/28/1048041628.db2.gz FAFBSOHOHHDCLT-ZBEGNZNMSA-N 1 0 331.847 4.181 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674629 1048044956 /nfs/dbraw/zinc/04/49/56/1048044956.db2.gz KXYBMWVZRDPSSL-CHWSQXEVSA-N 1 0 348.878 4.084 20 10 EICDRO COc1ccccc1OCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808673034 1048046171 /nfs/dbraw/zinc/04/61/71/1048046171.db2.gz VVFITDNYTPCJKK-ZDUSSCGKSA-N 1 0 335.831 4.092 20 10 EICDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808679524 1048047445 /nfs/dbraw/zinc/04/74/45/1048047445.db2.gz RVTVPAPDEFERIC-AWEZNQCLSA-N 1 0 349.858 4.230 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1O ZINC000808707914 1048054569 /nfs/dbraw/zinc/05/45/69/1048054569.db2.gz CKUJTSRXEGUAFU-GFCCVEGCSA-N 1 0 334.803 4.156 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O ZINC000808712042 1048057677 /nfs/dbraw/zinc/05/76/77/1048057677.db2.gz ZUUZGHUYKWKCSE-MZTNWIODSA-N 1 0 335.875 4.352 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000808713593 1048059872 /nfs/dbraw/zinc/05/98/72/1048059872.db2.gz JDPOLTYSSONLDK-ZDUSSCGKSA-N 1 0 343.858 4.134 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000808715967 1048063476 /nfs/dbraw/zinc/06/34/76/1048063476.db2.gz PBNYAOZEANQHDD-CJNGLKHVSA-N 1 0 335.879 4.178 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000808716125 1048063599 /nfs/dbraw/zinc/06/35/99/1048063599.db2.gz JQRKLGLZSKFEFO-GFCCVEGCSA-N 1 0 334.803 4.421 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000808722059 1048071790 /nfs/dbraw/zinc/07/17/90/1048071790.db2.gz YCXCSLFKNWUJSF-NPPFBWRTSA-N 1 0 338.495 4.450 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000808694749 1048077242 /nfs/dbraw/zinc/07/72/42/1048077242.db2.gz GVYRBDGNJAGMGH-NEPJUHHUSA-N 1 0 347.846 4.256 20 10 EICDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501931 1048104611 /nfs/dbraw/zinc/10/46/11/1048104611.db2.gz SPXWLPFYOHWVHR-AWEZNQCLSA-N 1 0 328.456 4.286 20 10 EICDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510306 1048107844 /nfs/dbraw/zinc/10/78/44/1048107844.db2.gz ZYIFQARBCIDNJZ-LRDDRELGSA-N 1 0 347.256 4.133 20 10 EICDRO Cc1cc(CN(C)Cc2nc3c(s2)CCCC3)ccc1N(C)C ZINC000815056779 1048306191 /nfs/dbraw/zinc/30/61/91/1048306191.db2.gz AGPCZTYVFZOFJA-UHFFFAOYSA-N 1 0 329.513 4.028 20 10 EICDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)c(O)c1 ZINC001171147109 1048464236 /nfs/dbraw/zinc/46/42/36/1048464236.db2.gz ZQGLOPJEWGKHAR-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809699994 1048465089 /nfs/dbraw/zinc/46/50/89/1048465089.db2.gz VPEBRQGUGGHARZ-QRVBRYPASA-N 1 0 343.854 4.050 20 10 EICDRO C[C@H](CO)[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1CCC1 ZINC000809664074 1048469082 /nfs/dbraw/zinc/46/90/82/1048469082.db2.gz ADLWCIRPFQSSAD-MRXNPFEDSA-N 1 0 325.452 4.042 20 10 EICDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC4(F)F)CC3)c2c1 ZINC000844726072 1048478399 /nfs/dbraw/zinc/47/83/99/1048478399.db2.gz WBIWCCWSGDMEKJ-UHFFFAOYSA-N 1 0 333.378 4.175 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000809728757 1048480061 /nfs/dbraw/zinc/48/00/61/1048480061.db2.gz GXBCBRJYZNVRGC-IBGZPJMESA-N 1 0 327.447 4.404 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000809729029 1048482193 /nfs/dbraw/zinc/48/21/93/1048482193.db2.gz OUAIONHOFHUBDH-INIZCTEOSA-N 1 0 347.256 4.195 20 10 EICDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000809713192 1048490795 /nfs/dbraw/zinc/49/07/95/1048490795.db2.gz LMXHJRXXSRQOMV-JTQLQIEISA-N 1 0 332.307 4.165 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@]2(CC2(F)F)C1)CCCC3 ZINC000844756738 1048492722 /nfs/dbraw/zinc/49/27/22/1048492722.db2.gz LPVBYEIEIQESNQ-SFHVURJKSA-N 1 0 333.378 4.248 20 10 EICDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716002 1048496593 /nfs/dbraw/zinc/49/65/93/1048496593.db2.gz PGELWEISHJWUKH-GCJKJVERSA-N 1 0 336.479 4.106 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815554075 1048504840 /nfs/dbraw/zinc/50/48/40/1048504840.db2.gz QYACCKPYTRQYQB-INIZCTEOSA-N 1 0 337.467 4.408 20 10 EICDRO Oc1ccc(F)cc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809737534 1048508111 /nfs/dbraw/zinc/50/81/11/1048508111.db2.gz WNDVXMJIQDQLMB-UHFFFAOYSA-N 1 0 336.410 4.171 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c(O)c1 ZINC000815557199 1048508656 /nfs/dbraw/zinc/50/86/56/1048508656.db2.gz OMXBUMZJVZRQNK-ZDUSSCGKSA-N 1 0 329.831 4.161 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001144222001 1048514335 /nfs/dbraw/zinc/51/43/35/1048514335.db2.gz KNVSFVHMDCOXIQ-UHFFFAOYSA-N 1 0 332.241 4.021 20 10 EICDRO CC(C)[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579547 1048517869 /nfs/dbraw/zinc/51/78/69/1048517869.db2.gz PHAUHQCXJPWIRF-CTNGQTDRSA-N 1 0 327.468 4.063 20 10 EICDRO Cc1ccc(O)c(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754380 1048519529 /nfs/dbraw/zinc/51/95/29/1048519529.db2.gz JMGYMPBVHLGKIM-QGZVFWFLSA-N 1 0 340.250 4.221 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758284 1048521306 /nfs/dbraw/zinc/52/13/06/1048521306.db2.gz IPHUKFZFABFZSA-SFTDATJTSA-N 1 0 342.527 4.316 20 10 EICDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000809756813 1048522818 /nfs/dbraw/zinc/52/28/18/1048522818.db2.gz JVCXDBROXNYMHK-IBGZPJMESA-N 1 0 326.488 4.210 20 10 EICDRO C[C@H]1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585173 1048522931 /nfs/dbraw/zinc/52/29/31/1048522931.db2.gz ZZFQUPUZZPGZBZ-RXVVDRJESA-N 1 0 338.495 4.140 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCN1C ZINC000815583957 1048523185 /nfs/dbraw/zinc/52/31/85/1048523185.db2.gz RTCLNYGZVXWRFH-YFVAEKQCSA-N 1 0 338.495 4.138 20 10 EICDRO CO[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C(C)C ZINC000815585361 1048523323 /nfs/dbraw/zinc/52/33/23/1048523323.db2.gz FOXAODOHZSPUII-FPOVZHCZSA-N 1 0 327.468 4.327 20 10 EICDRO COCCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815596894 1048529474 /nfs/dbraw/zinc/52/94/74/1048529474.db2.gz HFBXINSJGIDLRJ-FQEVSTJZSA-N 1 0 339.479 4.472 20 10 EICDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809781152 1048529362 /nfs/dbraw/zinc/52/93/62/1048529362.db2.gz PGOBBXSHIWCEPT-INIZCTEOSA-N 1 0 345.439 4.001 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)cc1 ZINC000815573657 1048536209 /nfs/dbraw/zinc/53/62/09/1048536209.db2.gz PUCIBEBELPXRMR-FQEVSTJZSA-N 1 0 328.500 4.367 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1 ZINC000815615687 1048541690 /nfs/dbraw/zinc/54/16/90/1048541690.db2.gz VBOHRBPBLBPIEI-HNNXBMFYSA-N 1 0 348.487 4.107 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1 ZINC000815615688 1048542926 /nfs/dbraw/zinc/54/29/26/1048542926.db2.gz VBOHRBPBLBPIEI-OAHLLOKOSA-N 1 0 348.487 4.107 20 10 EICDRO CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844922591 1048549347 /nfs/dbraw/zinc/54/93/47/1048549347.db2.gz AZMCNIFRKKJDBQ-AWEZNQCLSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)c(Cl)cc1[O-] ZINC000844923273 1048549837 /nfs/dbraw/zinc/54/98/37/1048549837.db2.gz HMWUYSHVLSPSBJ-VIFPVBQESA-N 1 0 343.229 4.148 20 10 EICDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815630148 1048552818 /nfs/dbraw/zinc/55/28/18/1048552818.db2.gz XSOOAEIAVNBGMT-HNNXBMFYSA-N 1 0 343.446 4.070 20 10 EICDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000815630835 1048553426 /nfs/dbraw/zinc/55/34/26/1048553426.db2.gz ZADUIAUOYBFWCV-FSBGKCOPSA-N 1 0 335.806 4.056 20 10 EICDRO CO[C@@](C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815627769 1048553821 /nfs/dbraw/zinc/55/38/21/1048553821.db2.gz JAKRGGDTVKXFIH-IRLDBZIGSA-N 1 0 339.479 4.471 20 10 EICDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)c(Cl)c1OC ZINC000815638847 1048565203 /nfs/dbraw/zinc/56/52/03/1048565203.db2.gz HFSUZGNXCFCOJL-ZDUSSCGKSA-N 1 0 349.858 4.265 20 10 EICDRO COc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2O)c(Cl)c1OC ZINC000815638846 1048566134 /nfs/dbraw/zinc/56/61/34/1048566134.db2.gz HFSUZGNXCFCOJL-CYBMUJFWSA-N 1 0 349.858 4.265 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000815642542 1048567663 /nfs/dbraw/zinc/56/76/63/1048567663.db2.gz FTAGISGNRUNSSA-CABCVRRESA-N 1 0 343.446 4.328 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O ZINC000815643280 1048568873 /nfs/dbraw/zinc/56/88/73/1048568873.db2.gz YKJZTUMQLIGSPN-IINYFYTJSA-N 1 0 340.345 4.314 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C)cc1O ZINC000815645896 1048570984 /nfs/dbraw/zinc/57/09/84/1048570984.db2.gz TWUXITCNVDLKBP-MRXNPFEDSA-N 1 0 338.373 4.398 20 10 EICDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000810135475 1048642569 /nfs/dbraw/zinc/64/25/69/1048642569.db2.gz OKKABFKMDOSKQA-CQSZACIVSA-N 1 0 348.537 4.157 20 10 EICDRO CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810218554 1048688090 /nfs/dbraw/zinc/68/80/90/1048688090.db2.gz BIMCDBMQKSXLJC-AWEZNQCLSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O ZINC000810218555 1048688862 /nfs/dbraw/zinc/68/88/62/1048688862.db2.gz BIMCDBMQKSXLJC-CQSZACIVSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810224656 1048692257 /nfs/dbraw/zinc/69/22/57/1048692257.db2.gz XARGMUYPEYPEMU-ZOWXZIJZSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223973 1048692366 /nfs/dbraw/zinc/69/23/66/1048692366.db2.gz PRPHONARGDQHHP-LNSITVRQSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810232335 1048698824 /nfs/dbraw/zinc/69/88/24/1048698824.db2.gz YHHFNUMJUPUVMQ-JQWIXIFHSA-N 1 0 345.283 4.029 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810210220 1048707654 /nfs/dbraw/zinc/70/76/54/1048707654.db2.gz PLAOKPDRFZNCRN-CQSZACIVSA-N 1 0 340.345 4.056 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000810260019 1048709613 /nfs/dbraw/zinc/70/96/13/1048709613.db2.gz ZYFJQWZGUBGXGT-UTKZUKDTSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810210529 1048710048 /nfs/dbraw/zinc/71/00/48/1048710048.db2.gz XCQOMTGVSQOYML-CQSZACIVSA-N 1 0 340.345 4.056 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccccc1O ZINC000810262139 1048711170 /nfs/dbraw/zinc/71/11/70/1048711170.db2.gz MEFSXUJNDIHAOA-JKSUJKDBSA-N 1 0 338.451 4.321 20 10 EICDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000810238060 1048720382 /nfs/dbraw/zinc/72/03/82/1048720382.db2.gz XMWRVMTWDHQPRQ-CVEARBPZSA-N 1 0 349.519 4.097 20 10 EICDRO CC[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000810243981 1048724000 /nfs/dbraw/zinc/72/40/00/1048724000.db2.gz WLSOGEDDDOBRPV-HRAATJIYSA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000810247608 1048726769 /nfs/dbraw/zinc/72/67/69/1048726769.db2.gz KUMXUHDPXFZYAE-BJLQDIEVSA-N 1 0 345.870 4.253 20 10 EICDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc2ccccc2c1O ZINC000810245637 1048726921 /nfs/dbraw/zinc/72/69/21/1048726921.db2.gz FGLSGGLQTDEJTM-YROCYRMSSA-N 1 0 347.458 4.362 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058317 1048797839 /nfs/dbraw/zinc/79/78/39/1048797839.db2.gz PWBSZVYPWFVMMY-RTBURBONSA-N 1 0 335.451 4.150 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051619 1048807667 /nfs/dbraw/zinc/80/76/67/1048807667.db2.gz HMMIYQLSEUAFSU-INIZCTEOSA-N 1 0 345.414 4.322 20 10 EICDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816481137 1048810456 /nfs/dbraw/zinc/81/04/56/1048810456.db2.gz KHHVCQMBPDBKCV-UHFFFAOYSA-N 1 0 349.430 4.121 20 10 EICDRO Oc1c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)ccc2ccccc21 ZINC000816495616 1048815690 /nfs/dbraw/zinc/81/56/90/1048815690.db2.gz CLAIJLONAZRNNC-LJQANCHMSA-N 1 0 337.419 4.320 20 10 EICDRO CCOCc1cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)ccc1OC ZINC000846102631 1048820777 /nfs/dbraw/zinc/82/07/77/1048820777.db2.gz POYMFJIIMZIHCZ-OAHLLOKOSA-N 1 0 346.298 4.295 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc2ccccc21 ZINC000816515214 1048822748 /nfs/dbraw/zinc/82/27/48/1048822748.db2.gz SEWQMQMCSDLZII-QHCPKHFHSA-N 1 0 345.442 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)c1O ZINC000846150210 1048823989 /nfs/dbraw/zinc/82/39/89/1048823989.db2.gz OGHWUTCPMXRJKL-LBPRGKRZSA-N 1 0 337.366 4.161 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1O ZINC000846152363 1048824893 /nfs/dbraw/zinc/82/48/93/1048824893.db2.gz ATUOKKODVOXZHT-JWHHTLNTSA-N 1 0 327.424 4.005 20 10 EICDRO Oc1c(C[NH+]2CCC(C3CCOCC3)CC2)ccc2ccccc21 ZINC000816515783 1048824875 /nfs/dbraw/zinc/82/48/75/1048824875.db2.gz KSIWPJJNTUPRNS-UHFFFAOYSA-N 1 0 325.452 4.184 20 10 EICDRO Oc1c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)ccc2ccccc12 ZINC000816533865 1048825638 /nfs/dbraw/zinc/82/56/38/1048825638.db2.gz MLTCJNRKWHGLLW-UHFFFAOYSA-N 1 0 337.810 4.136 20 10 EICDRO COc1ccc(C2(C[NH2+][C@@H](C)c3cccc(OC)c3O)CCC2)cc1 ZINC000846166083 1048826762 /nfs/dbraw/zinc/82/67/62/1048826762.db2.gz RRVCIOVAXPIDTP-HNNXBMFYSA-N 1 0 341.451 4.182 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1O ZINC000846164176 1048827337 /nfs/dbraw/zinc/82/73/37/1048827337.db2.gz OCYLIGLYYZKZKS-FTRWYGJKSA-N 1 0 342.483 4.051 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCc2c[nH]c3ccc(F)cc23)c1O ZINC000846168336 1048827770 /nfs/dbraw/zinc/82/77/70/1048827770.db2.gz SMSVBCQACRUYMK-ZDUSSCGKSA-N 1 0 342.414 4.305 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000846168414 1048828719 /nfs/dbraw/zinc/82/87/19/1048828719.db2.gz CBOSUDYUCHBAJP-CJNGLKHVSA-N 1 0 345.439 4.220 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C2CC2)cc1 ZINC000846135539 1048829749 /nfs/dbraw/zinc/82/97/49/1048829749.db2.gz DVIXETSHLOKMAD-DJJJIMSYSA-N 1 0 327.424 4.211 20 10 EICDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846142026 1048830985 /nfs/dbraw/zinc/83/09/85/1048830985.db2.gz UNGARKBKINFFIC-HNNXBMFYSA-N 1 0 329.440 4.178 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(OC(F)F)cc2)ccc2ccccc21 ZINC000816528436 1048830955 /nfs/dbraw/zinc/83/09/55/1048830955.db2.gz CBOHKFVRJCORCI-UHFFFAOYSA-N 1 0 329.346 4.437 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)c1O ZINC000846144029 1048831697 /nfs/dbraw/zinc/83/16/97/1048831697.db2.gz KROCIPHFNBITRO-GFCCVEGCSA-N 1 0 329.371 4.445 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207922 1048832405 /nfs/dbraw/zinc/83/24/05/1048832405.db2.gz VGLMVADQEVWSOR-APWZRJJASA-N 1 0 335.451 4.069 20 10 EICDRO Oc1c(C[NH2+]Cc2coc(-c3ccccc3)n2)ccc2ccccc21 ZINC000816551956 1048832837 /nfs/dbraw/zinc/83/28/37/1048832837.db2.gz WGWOQANZEAVBQL-UHFFFAOYSA-N 1 0 330.387 4.490 20 10 EICDRO Oc1c(C[NH2+]CCCc2ccc3c(c2)OCCO3)ccc2ccccc21 ZINC000816556468 1048833995 /nfs/dbraw/zinc/83/39/95/1048833995.db2.gz KBNSPENJMSEBHZ-UHFFFAOYSA-N 1 0 349.430 4.039 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846181507 1048835792 /nfs/dbraw/zinc/83/57/92/1048835792.db2.gz BOINGSSGLGEAGI-MDOVXXIYSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1cccc(Cl)c1 ZINC000816570250 1048836601 /nfs/dbraw/zinc/83/66/01/1048836601.db2.gz NXEHLXOEGDOMNE-FQEVSTJZSA-N 1 0 341.838 4.196 20 10 EICDRO Oc1c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)ccc2ccccc21 ZINC000816603841 1048841772 /nfs/dbraw/zinc/84/17/72/1048841772.db2.gz QUGBNPCWCVSUSA-UHFFFAOYSA-N 1 0 343.430 4.080 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1O ZINC000816643654 1048847459 /nfs/dbraw/zinc/84/74/59/1048847459.db2.gz MDKRNZKKSJFFBI-UHFFFAOYSA-N 1 0 344.764 4.100 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816665935 1048852301 /nfs/dbraw/zinc/85/23/01/1048852301.db2.gz AJSCIFGLXYCICL-YADHBBJMSA-N 1 0 335.447 4.203 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000816667817 1048854869 /nfs/dbraw/zinc/85/48/69/1048854869.db2.gz XSGWBGCHNWVBGW-JOCHJYFZSA-N 1 0 338.495 4.060 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000817407704 1048964991 /nfs/dbraw/zinc/96/49/91/1048964991.db2.gz YVTOEULBJVHXDJ-QGZVFWFLSA-N 1 0 336.479 4.251 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000772960137 1048996934 /nfs/dbraw/zinc/99/69/34/1048996934.db2.gz SBGWRISZTQHYPE-JLHGSKIFSA-N 1 0 336.479 4.422 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000817576244 1049005582 /nfs/dbraw/zinc/00/55/82/1049005582.db2.gz OLPXJBIWNUBCQZ-FQEVSTJZSA-N 1 0 328.431 4.141 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cc(C)n1 ZINC000817590462 1049019288 /nfs/dbraw/zinc/01/92/88/1049019288.db2.gz XNXKPNXOZBJTKP-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c(O)c1 ZINC000817975080 1049074554 /nfs/dbraw/zinc/07/45/54/1049074554.db2.gz IIZJCPDIGIMAHY-DYVFJYSZSA-N 1 0 326.440 4.236 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2O ZINC000817974910 1049074714 /nfs/dbraw/zinc/07/47/14/1049074714.db2.gz HKMGPBCVEJFTAQ-PXAZEXFGSA-N 1 0 326.415 4.228 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(SC)cc3)C2)cc1 ZINC000818220891 1049114110 /nfs/dbraw/zinc/11/41/10/1049114110.db2.gz OBRLRPKSNWSGSH-QGZVFWFLSA-N 1 0 342.508 4.033 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CCc3ccsc3)C2)cc1 ZINC000818343175 1049135920 /nfs/dbraw/zinc/13/59/20/1049135920.db2.gz YZBPIDYZCZTAGC-WMZOPIPTSA-N 1 0 344.524 4.194 20 10 EICDRO CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000818342927 1049136071 /nfs/dbraw/zinc/13/60/71/1049136071.db2.gz WMVBEKGWUGPRHV-UWJYYQICSA-N 1 0 339.483 4.048 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984355 1049213573 /nfs/dbraw/zinc/21/35/73/1049213573.db2.gz DXRWSSSVFMYHHZ-RTBURBONSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804057 1049272503 /nfs/dbraw/zinc/27/25/03/1049272503.db2.gz ZTKBKTNDGVDOCQ-INIZCTEOSA-N 1 0 347.890 4.295 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1C1CCOCC1)CCCC2 ZINC000819903396 1049386531 /nfs/dbraw/zinc/38/65/31/1049386531.db2.gz WTPQIWNGKYDIHP-OAQYLSRUSA-N 1 0 341.495 4.052 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000812735233 1049555422 /nfs/dbraw/zinc/55/54/22/1049555422.db2.gz YFBDQLFGDWJAJD-ZBFHGGJFSA-N 1 0 331.378 4.267 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000812772314 1049569686 /nfs/dbraw/zinc/56/96/86/1049569686.db2.gz KLSHHQNDJNUVLP-CQSZACIVSA-N 1 0 348.849 4.109 20 10 EICDRO CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773096973 1049580388 /nfs/dbraw/zinc/58/03/88/1049580388.db2.gz FAABCJZVRVHPJX-LEWJYISDSA-N 1 0 338.495 4.307 20 10 EICDRO Oc1cc2ccccc2cc1CNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001171405998 1049629320 /nfs/dbraw/zinc/62/93/20/1049629320.db2.gz DORMCIRCADIDAQ-UHFFFAOYSA-N 1 0 348.324 4.494 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccns1)c1cc(Br)ccc1O ZINC000715992931 1049664943 /nfs/dbraw/zinc/66/49/43/1049664943.db2.gz HGOZYPLNBBKPFG-BXKDBHETSA-N 1 0 341.274 4.413 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773255404 1049675208 /nfs/dbraw/zinc/67/52/08/1049675208.db2.gz AKVBBGATRAVCNN-DLBZAZTESA-N 1 0 325.452 4.184 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000179585944 1049680177 /nfs/dbraw/zinc/68/01/77/1049680177.db2.gz CQIOHZDULKNOIJ-HXUWFJFHSA-N 1 0 339.460 4.190 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1sccc1Br ZINC000037233654 1049699510 /nfs/dbraw/zinc/69/95/10/1049699510.db2.gz KLGBGIBFVAOSHF-LLVKDONJSA-N 1 0 339.302 4.427 20 10 EICDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363301 1049702999 /nfs/dbraw/zinc/70/29/99/1049702999.db2.gz HGPDKPCCSFRXNR-ZDUSSCGKSA-N 1 0 346.268 4.105 20 10 EICDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000037363504 1049703633 /nfs/dbraw/zinc/70/36/33/1049703633.db2.gz USDJAFUEHHRGKC-UHFFFAOYSA-N 1 0 346.268 4.409 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000179643079 1049704123 /nfs/dbraw/zinc/70/41/23/1049704123.db2.gz ICHPWUCNNYDRHE-QGZVFWFLSA-N 1 0 325.452 4.382 20 10 EICDRO Cc1cc(C[N@H+]2CCN(C)[C@@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653320 1049771194 /nfs/dbraw/zinc/77/11/94/1049771194.db2.gz DBNGRQILSREPAK-OAQYLSRUSA-N 1 0 343.559 4.147 20 10 EICDRO Cc1ccc(CC[C@H](C)[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001171681325 1049777220 /nfs/dbraw/zinc/77/72/20/1049777220.db2.gz DZMDHMRDEPDTNF-INIZCTEOSA-N 1 0 325.452 4.176 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1O ZINC000179889410 1049792309 /nfs/dbraw/zinc/79/23/09/1049792309.db2.gz NEPVWQRDAABQFH-ZBEGNZNMSA-N 1 0 332.241 4.493 20 10 EICDRO COc1cccc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)c1O ZINC000813783523 1049815248 /nfs/dbraw/zinc/81/52/48/1049815248.db2.gz BTGABELTMRTRPB-UHFFFAOYSA-N 1 0 331.843 4.309 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000813782522 1049815636 /nfs/dbraw/zinc/81/56/36/1049815636.db2.gz DRAUAAFJZBDXEY-PKTZIBPZSA-N 1 0 346.474 4.317 20 10 EICDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001171960854 1049824077 /nfs/dbraw/zinc/82/40/77/1049824077.db2.gz KLEJNRIZQIHPCT-AWEZNQCLSA-N 1 0 336.401 4.492 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cc(Cl)ccc1O ZINC000813884339 1049831176 /nfs/dbraw/zinc/83/11/76/1049831176.db2.gz IGVOXSKPWBHJRF-PSVSLLHZSA-N 1 0 337.872 4.460 20 10 EICDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000813885929 1049832296 /nfs/dbraw/zinc/83/22/96/1049832296.db2.gz ZADUIAUOYBFWCV-JMPLFQLZSA-N 1 0 335.806 4.056 20 10 EICDRO Cc1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875130 1049870932 /nfs/dbraw/zinc/87/09/32/1049870932.db2.gz KHXRFVYOOLIMEK-KBPBESRZSA-N 1 0 345.512 4.008 20 10 EICDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000180326628 1049877801 /nfs/dbraw/zinc/87/78/01/1049877801.db2.gz ZOBQRYVVDXNLEW-OAHLLOKOSA-N 1 0 326.488 4.338 20 10 EICDRO Clc1cnc2oc(C[NH2+]CCCSc3nccs3)cc2c1 ZINC000823938129 1049888773 /nfs/dbraw/zinc/88/87/73/1049888773.db2.gz UPGWYFQKIUANPN-UHFFFAOYSA-N 1 0 339.873 4.210 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000823931621 1049889286 /nfs/dbraw/zinc/88/92/86/1049889286.db2.gz ODADTPWWRDQZDW-IEBWSBKVSA-N 1 0 344.524 4.025 20 10 EICDRO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccc(N(C)C)cc1 ZINC000824195684 1049904756 /nfs/dbraw/zinc/90/47/56/1049904756.db2.gz JJPWFSZQSGVEFA-GFCCVEGCSA-N 1 0 329.831 4.398 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172658464 1049958137 /nfs/dbraw/zinc/95/81/37/1049958137.db2.gz RZNKXOAQNZKNPJ-UHFFFAOYSA-N 1 0 330.516 4.455 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000181347700 1050106892 /nfs/dbraw/zinc/10/68/92/1050106892.db2.gz GCHWKNKZYIRADJ-OAHLLOKOSA-N 1 0 327.472 4.176 20 10 EICDRO COc1cccc2c1CCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC001177804098 1050304226 /nfs/dbraw/zinc/30/42/26/1050304226.db2.gz KLYLYLYVMFKTLH-LJQANCHMSA-N 1 0 338.495 4.107 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173131809 1050323007 /nfs/dbraw/zinc/32/30/07/1050323007.db2.gz DWEUTMQNUOGTQO-YJYMSZOUSA-N 1 0 342.508 4.236 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1C ZINC001178231283 1050420084 /nfs/dbraw/zinc/42/00/84/1050420084.db2.gz AGUUQWAACAYYNZ-KRWDZBQOSA-N 1 0 349.478 4.219 20 10 EICDRO CCCCCn1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)c(C)n1 ZINC001178397850 1050450958 /nfs/dbraw/zinc/45/09/58/1050450958.db2.gz GBMHGXQJZHGQSC-UHFFFAOYSA-N 1 0 338.499 4.472 20 10 EICDRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001173449783 1050465652 /nfs/dbraw/zinc/46/56/52/1050465652.db2.gz WEKLRRSHDSBQHL-FOIQADDNSA-N 1 0 347.499 4.344 20 10 EICDRO COC(=O)CCCC[C@@H](C)[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001173449795 1050466339 /nfs/dbraw/zinc/46/63/39/1050466339.db2.gz WEKLRRSHDSBQHL-QRWLVFNGSA-N 1 0 347.499 4.344 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1F ZINC001178811857 1050560844 /nfs/dbraw/zinc/56/08/44/1050560844.db2.gz ZDFOWGSQKFOSKV-UHFFFAOYSA-N 1 0 340.364 4.432 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CS1 ZINC001178950426 1050594135 /nfs/dbraw/zinc/59/41/35/1050594135.db2.gz NWVIPRFRECFCLE-GDBMZVCRSA-N 1 0 332.538 4.368 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1cccc(C)c1)c1ccc(C[NH3+])cc1 ZINC000775138558 1050596345 /nfs/dbraw/zinc/59/63/45/1050596345.db2.gz TVDAOQADRIYHKT-UHFFFAOYSA-N 1 0 334.467 4.260 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(F)c(Cl)c3)C2)cc1 ZINC001179002301 1050607234 /nfs/dbraw/zinc/60/72/34/1050607234.db2.gz LFIUCVNGJXIAHU-OAHLLOKOSA-N 1 0 348.849 4.104 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1 ZINC001179034429 1050621660 /nfs/dbraw/zinc/62/16/60/1050621660.db2.gz GWCNJOPGJPUGPL-GOSISDBHSA-N 1 0 325.500 4.429 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000773811484 1050666930 /nfs/dbraw/zinc/66/69/30/1050666930.db2.gz NTSSPXGIUVEIGT-OAHLLOKOSA-N 1 0 327.428 4.210 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000773811353 1050669566 /nfs/dbraw/zinc/66/95/66/1050669566.db2.gz LZKGLBJCVICUNN-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cnc3ccccc3c2)cc1 ZINC001179537458 1050710921 /nfs/dbraw/zinc/71/09/21/1050710921.db2.gz KYUKANPLEPFCIT-AATRIKPKSA-N 1 0 331.463 4.146 20 10 EICDRO CCS[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001179892869 1050803547 /nfs/dbraw/zinc/80/35/47/1050803547.db2.gz VCJJXXSKHLXQEL-GFCCVEGCSA-N 1 0 344.318 4.262 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(O)c1 ZINC001179874464 1050813071 /nfs/dbraw/zinc/81/30/71/1050813071.db2.gz ZVPIADRJLUFQNY-APWZRJJASA-N 1 0 325.452 4.335 20 10 EICDRO COc1cccc(C[N@@H+](Cc2cc(C)cc(OC)c2O)CC(C)C)c1 ZINC001180153602 1050901868 /nfs/dbraw/zinc/90/18/68/1050901868.db2.gz JNFXSJYGECWCAP-UHFFFAOYSA-N 1 0 343.467 4.376 20 10 EICDRO CC(C)c1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000182948677 1050903918 /nfs/dbraw/zinc/90/39/18/1050903918.db2.gz SRULFQUMYRFIAE-INIZCTEOSA-N 1 0 346.496 4.153 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC001180244533 1050935276 /nfs/dbraw/zinc/93/52/76/1050935276.db2.gz FMQGZCVWPDWLHY-OAQYLSRUSA-N 1 0 348.446 4.116 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000183226594 1051026947 /nfs/dbraw/zinc/02/69/47/1051026947.db2.gz NJNNXUIPNWGYLU-AWEZNQCLSA-N 1 0 348.462 4.369 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC001180697568 1051066215 /nfs/dbraw/zinc/06/62/15/1051066215.db2.gz IIIDFMNNEKMLAK-IBGZPJMESA-N 1 0 344.524 4.120 20 10 EICDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1C ZINC001180961688 1051121996 /nfs/dbraw/zinc/12/19/96/1051121996.db2.gz GDNUTUIPHUHWLU-JOCHJYFZSA-N 1 0 340.511 4.224 20 10 EICDRO C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccc(N(C)C)cc1 ZINC000775361714 1051128035 /nfs/dbraw/zinc/12/80/35/1051128035.db2.gz FHVWYMUVEZADRU-AWEZNQCLSA-N 1 0 338.480 4.122 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000775365653 1051135108 /nfs/dbraw/zinc/13/51/08/1051135108.db2.gz VRAINTMWBHZJDR-ZDUSSCGKSA-N 1 0 348.874 4.274 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000775370979 1051140565 /nfs/dbraw/zinc/14/05/65/1051140565.db2.gz YPDJIOYDGJGWPG-ZDUSSCGKSA-N 1 0 340.448 4.375 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1OCC ZINC000775369850 1051143889 /nfs/dbraw/zinc/14/38/89/1051143889.db2.gz ABQAIXKTSIEXPQ-AWEZNQCLSA-N 1 0 345.439 4.049 20 10 EICDRO Cc1noc(C2(C)CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)n1 ZINC000781149667 1051152676 /nfs/dbraw/zinc/15/26/76/1051152676.db2.gz KQVRUPMIBABPKM-UHFFFAOYSA-N 1 0 343.471 4.069 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)c1 ZINC000071407567 1051158538 /nfs/dbraw/zinc/15/85/38/1051158538.db2.gz KUTQSXBUQZWEHS-ZDUSSCGKSA-N 1 0 334.257 4.184 20 10 EICDRO CCN1CC[C@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773431217 1051255449 /nfs/dbraw/zinc/25/54/49/1051255449.db2.gz MHKKZFPQDHOPAM-PKOBYXMFSA-N 1 0 348.849 4.110 20 10 EICDRO CCN1CC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773431214 1051257580 /nfs/dbraw/zinc/25/75/80/1051257580.db2.gz MHKKZFPQDHOPAM-MJGOQNOKSA-N 1 0 348.849 4.110 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775410606 1051275093 /nfs/dbraw/zinc/27/50/93/1051275093.db2.gz AWAVEFMEXPNYFF-RDJZCZTQSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1N1CCCCC1 ZINC001191143301 1051379150 /nfs/dbraw/zinc/37/91/50/1051379150.db2.gz CQRKCEJJPOPNBI-QFIPXVFZSA-N 1 0 344.543 4.406 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)c1O ZINC000775447061 1051395390 /nfs/dbraw/zinc/39/53/90/1051395390.db2.gz WDAJAROYSFRJES-UHFFFAOYSA-N 1 0 335.806 4.412 20 10 EICDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC001182097931 1051398716 /nfs/dbraw/zinc/39/87/16/1051398716.db2.gz BFWQJUIVRHJJPT-KRWDZBQOSA-N 1 0 344.421 4.018 20 10 EICDRO CCC[N@H+](CCSc1cccc(OC)c1)Cc1ccccc1O ZINC001191279659 1051416174 /nfs/dbraw/zinc/41/61/74/1051416174.db2.gz XSKBLMQUVGOGGW-UHFFFAOYSA-N 1 0 331.481 4.405 20 10 EICDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001182237948 1051445372 /nfs/dbraw/zinc/44/53/72/1051445372.db2.gz HIEFUYBGSDPFQC-HUUCEWRRSA-N 1 0 340.458 4.106 20 10 EICDRO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC001191520691 1051472719 /nfs/dbraw/zinc/47/27/19/1051472719.db2.gz JPJLDLMBCCKGNZ-UHFFFAOYSA-N 1 0 337.511 4.000 20 10 EICDRO CCOc1ccc(CC[NH2+][C@H](CC)c2ccccc2O)cc1OCC ZINC000775483104 1051551346 /nfs/dbraw/zinc/55/13/46/1051551346.db2.gz KWLRISRYANBVFG-GOSISDBHSA-N 1 0 343.467 4.473 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1O ZINC000775484573 1051556585 /nfs/dbraw/zinc/55/65/85/1051556585.db2.gz FGKDHLXMKSNBQX-KRWDZBQOSA-N 1 0 332.831 4.245 20 10 EICDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774356858 1051574099 /nfs/dbraw/zinc/57/40/99/1051574099.db2.gz XPRUIJAZHBMZAG-NSHDSACASA-N 1 0 331.287 4.082 20 10 EICDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C ZINC001182452506 1051580054 /nfs/dbraw/zinc/58/00/54/1051580054.db2.gz OFYYEMKTNZJHGQ-BRWVUGGUSA-N 1 0 325.452 4.448 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1O ZINC001175425628 1051587934 /nfs/dbraw/zinc/58/79/34/1051587934.db2.gz CZLOOCRQOAJYLF-INIZCTEOSA-N 1 0 346.430 4.495 20 10 EICDRO CCO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000774499651 1051618046 /nfs/dbraw/zinc/61/80/46/1051618046.db2.gz XRGWMNJBGWUUNA-FDQGKXFDSA-N 1 0 329.415 4.447 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(Br)c2)c1 ZINC000273374727 1051619212 /nfs/dbraw/zinc/61/92/12/1051619212.db2.gz GYPMSKBBSMMMCC-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO CC[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccccc1O ZINC000775500077 1051622867 /nfs/dbraw/zinc/62/28/67/1051622867.db2.gz NRYVCJZWNNPUNS-GOSISDBHSA-N 1 0 348.450 4.002 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O ZINC000775498781 1051630412 /nfs/dbraw/zinc/63/04/12/1051630412.db2.gz OCBFXEKXTCIPEW-INIZCTEOSA-N 1 0 334.803 4.237 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)cc1OC ZINC001182534580 1051632932 /nfs/dbraw/zinc/63/29/32/1051632932.db2.gz WPLVVMHNXZSPAZ-HOCLYGCPSA-N 1 0 333.472 4.058 20 10 EICDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cc(Cl)ccc1O ZINC000775500782 1051637957 /nfs/dbraw/zinc/63/79/57/1051637957.db2.gz LBRAHYNRWILKOU-AWEZNQCLSA-N 1 0 337.851 4.226 20 10 EICDRO CC[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1O ZINC000775508661 1051639869 /nfs/dbraw/zinc/63/98/69/1051639869.db2.gz DWQBFKOXLCQBCX-AWEZNQCLSA-N 1 0 340.254 4.247 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1O ZINC000775504184 1051643798 /nfs/dbraw/zinc/64/37/98/1051643798.db2.gz VDGFFRNYTYTHJO-YGRLFVJLSA-N 1 0 345.830 4.429 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1O ZINC000775504182 1051644856 /nfs/dbraw/zinc/64/48/56/1051644856.db2.gz VDGFFRNYTYTHJO-IINYFYTJSA-N 1 0 345.830 4.429 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cc(Br)ccc1O ZINC000775508048 1051645963 /nfs/dbraw/zinc/64/59/63/1051645963.db2.gz HFMQNKBJASQITI-FZMZJTMJSA-N 1 0 344.293 4.399 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cc(Br)ccc1O ZINC000775508050 1051647090 /nfs/dbraw/zinc/64/70/90/1051647090.db2.gz HFMQNKBJASQITI-SMDDNHRTSA-N 1 0 344.293 4.399 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775506727 1051647190 /nfs/dbraw/zinc/64/71/90/1051647190.db2.gz CSJGXXABTZXTJT-SDDDUWNISA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000775513729 1051662953 /nfs/dbraw/zinc/66/29/53/1051662953.db2.gz LGCMUOIWTWHHKA-JMSVASOKSA-N 1 0 342.277 4.011 20 10 EICDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001182683938 1051671552 /nfs/dbraw/zinc/67/15/52/1051671552.db2.gz IORQYNIRLIMMGR-CJNGLKHVSA-N 1 0 339.863 4.037 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775523909 1051699679 /nfs/dbraw/zinc/69/96/79/1051699679.db2.gz AYFARGCLTAKOLG-HZPDHXFCSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000775526871 1051714229 /nfs/dbraw/zinc/71/42/29/1051714229.db2.gz MQASVCCMXXJDGJ-OPAMFIHVSA-N 1 0 337.872 4.024 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000775526599 1051718962 /nfs/dbraw/zinc/71/89/62/1051718962.db2.gz SHJRNSNOLQLHMF-MAUKXSAKSA-N 1 0 328.431 4.241 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCc3cccc(C)c3)C2)cc1 ZINC001182854032 1051722787 /nfs/dbraw/zinc/72/27/87/1051722787.db2.gz FFKHUNBOFQNKNV-UYAOXDASSA-N 1 0 338.495 4.193 20 10 EICDRO Nc1ccc(NC(=O)Nc2ccc(Nc3ccc(C[NH3+])cc3)cc2)cc1 ZINC001175972651 1051854340 /nfs/dbraw/zinc/85/43/40/1051854340.db2.gz FULQZBZSABGMEB-UHFFFAOYSA-N 1 0 347.422 4.115 20 10 EICDRO CCc1cc(Br)ccc1C[N@H+](C)Cc1ccccc1O ZINC001237750515 1051867576 /nfs/dbraw/zinc/86/75/76/1051867576.db2.gz RRWDUINRLPUTNH-UHFFFAOYSA-N 1 0 334.257 4.349 20 10 EICDRO Oc1c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC001183886712 1051914460 /nfs/dbraw/zinc/91/44/60/1051914460.db2.gz UQDYPLYJOPXEAF-OAHLLOKOSA-N 1 0 338.476 4.457 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(F)ccc1Br)CC2 ZINC000296179827 1052084633 /nfs/dbraw/zinc/08/46/33/1052084633.db2.gz XZPZHJDWJCXYPM-AWEZNQCLSA-N 1 0 336.204 4.071 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194306891 1052125442 /nfs/dbraw/zinc/12/54/42/1052125442.db2.gz MXRLJKBIUUXHPJ-LEWJYISDSA-N 1 0 328.500 4.129 20 10 EICDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000774824362 1052172506 /nfs/dbraw/zinc/17/25/06/1052172506.db2.gz MTWIZESVAQNTJO-UHFFFAOYSA-N 1 0 349.478 4.132 20 10 EICDRO COc1c(O)c(C[N@@H+]2CCCCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774883492 1052244207 /nfs/dbraw/zinc/24/42/07/1052244207.db2.gz FZMUGJDVYKLOKE-AWEZNQCLSA-N 1 0 346.383 4.019 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cc(F)ccc1O ZINC000184836146 1052246791 /nfs/dbraw/zinc/24/67/91/1052246791.db2.gz QGPIJMWJNWWJGA-CZUORRHYSA-N 1 0 334.460 4.081 20 10 EICDRO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919885 1052309225 /nfs/dbraw/zinc/30/92/25/1052309225.db2.gz JPUXBIQFNPVLSP-KXBFYZLASA-N 1 0 328.431 4.019 20 10 EICDRO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cc(F)ccc1O ZINC000185010518 1052360725 /nfs/dbraw/zinc/36/07/25/1052360725.db2.gz CMDYCJBNPQYYTC-ZDUSSCGKSA-N 1 0 330.403 4.099 20 10 EICDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185338138 1052582050 /nfs/dbraw/zinc/58/20/50/1052582050.db2.gz IRVKCBSENKMOEI-HNNXBMFYSA-N 1 0 348.446 4.397 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000131184537 1052592459 /nfs/dbraw/zinc/59/24/59/1052592459.db2.gz YDTRFQBAQULUFZ-MRXNPFEDSA-N 1 0 331.843 4.084 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000185406090 1052595464 /nfs/dbraw/zinc/59/54/64/1052595464.db2.gz HIIJRQKJYXNOOZ-AWEZNQCLSA-N 1 0 346.446 4.237 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(-n2cccn2)c1 ZINC000185617232 1052662366 /nfs/dbraw/zinc/66/23/66/1052662366.db2.gz MYYYZXWOKOPIMI-ZIAGYGMSSA-N 1 0 325.387 4.129 20 10 EICDRO Cc1cccc2[nH]c(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000850077652 1053067958 /nfs/dbraw/zinc/06/79/58/1053067958.db2.gz OICAUPRVQKORMZ-QGZVFWFLSA-N 1 0 349.478 4.164 20 10 EICDRO COc1cc(C[NH2+]C(C)(C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850138812 1053078304 /nfs/dbraw/zinc/07/83/04/1053078304.db2.gz JUFHVOXBTKUHEU-UHFFFAOYSA-N 1 0 334.485 4.180 20 10 EICDRO COc1cc(C[NH2+]Cc2ccccc2N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850147692 1053078769 /nfs/dbraw/zinc/07/87/69/1053078769.db2.gz KNLVIWRTTXOFAP-UHFFFAOYSA-N 1 0 342.483 4.054 20 10 EICDRO COc1cc(C[NH2+]Cc2nc(C3CC3)cs2)c(O)c(C(C)(C)C)c1 ZINC000850193599 1053083796 /nfs/dbraw/zinc/08/37/96/1053083796.db2.gz KNYVTBTWDLIKCH-UHFFFAOYSA-N 1 0 346.496 4.322 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4c(cccc4C)[nH]3)C2)cc1 ZINC000850331071 1053118249 /nfs/dbraw/zinc/11/82/49/1053118249.db2.gz WOKVGAABJBVLKT-KRWDZBQOSA-N 1 0 349.478 4.101 20 10 EICDRO c1ccc2c(CC[NH2+]Cc3ccc(N4CCCCC4)cc3)noc2c1 ZINC000850342605 1053124038 /nfs/dbraw/zinc/12/40/38/1053124038.db2.gz LPGWTWGMRXSKRT-UHFFFAOYSA-N 1 0 335.451 4.150 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc3occc3c2)ccc1OC ZINC000850354630 1053129349 /nfs/dbraw/zinc/12/93/49/1053129349.db2.gz QTORABNKZRTMAI-UHFFFAOYSA-N 1 0 325.408 4.268 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850370428 1053139255 /nfs/dbraw/zinc/13/92/55/1053139255.db2.gz QDFNBIZVXSMYQL-QGZVFWFLSA-N 1 0 342.508 4.186 20 10 EICDRO c1ccc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000850385334 1053158003 /nfs/dbraw/zinc/15/80/03/1053158003.db2.gz DQIJFNOLDMGRPJ-DENIHFKCSA-N 1 0 335.495 4.183 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cc2)CC1 ZINC000850406303 1053173294 /nfs/dbraw/zinc/17/32/94/1053173294.db2.gz ASVROPFPIOCDPX-UHFFFAOYSA-N 1 0 342.527 4.240 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000850482032 1053252346 /nfs/dbraw/zinc/25/23/46/1053252346.db2.gz MDJXAEDGMXIETH-IUODEOHRSA-N 1 0 349.272 4.394 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](CC(C)C)c3ccncc3)C2)cc1 ZINC000850489539 1053254677 /nfs/dbraw/zinc/25/46/77/1053254677.db2.gz YGKOCPNOKXPMIV-RXVVDRJESA-N 1 0 339.483 4.046 20 10 EICDRO CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccc(C(F)(F)F)cc1O ZINC000850483573 1053255107 /nfs/dbraw/zinc/25/51/07/1053255107.db2.gz YWIRPOUXMJZSDJ-HGMXIMQMSA-N 1 0 331.378 4.267 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488780 1053257467 /nfs/dbraw/zinc/25/74/67/1053257467.db2.gz OSJGBOFIWGEWGQ-GJZGRUSLSA-N 1 0 345.512 4.205 20 10 EICDRO CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000764667589 1053259968 /nfs/dbraw/zinc/25/99/68/1053259968.db2.gz QCPULIPXNSGIRQ-LJQANCHMSA-N 1 0 336.483 4.152 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cscn1 ZINC000850511786 1053269758 /nfs/dbraw/zinc/26/97/58/1053269758.db2.gz NDONDHJYNSHCQB-DTWKUNHWSA-N 1 0 327.247 4.023 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511476 1053270660 /nfs/dbraw/zinc/27/06/60/1053270660.db2.gz FYAJPHKZGIFUPH-RKDXNWHRSA-N 1 0 327.247 4.023 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)c2cccc(OC)c2)cc1 ZINC000850515002 1053273948 /nfs/dbraw/zinc/27/39/48/1053273948.db2.gz TUWYZCCWJUYRPC-HRAATJIYSA-N 1 0 342.483 4.190 20 10 EICDRO Cc1cc(Br)c(C[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000850538264 1053300254 /nfs/dbraw/zinc/30/02/54/1053300254.db2.gz XKMWIWCAGQGJAR-GFCCVEGCSA-N 1 0 338.270 4.302 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000850540549 1053302250 /nfs/dbraw/zinc/30/22/50/1053302250.db2.gz MOCQQKNIKABDHC-RRMPHLOHSA-N 1 0 349.478 4.341 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000850539756 1053302322 /nfs/dbraw/zinc/30/23/22/1053302322.db2.gz GBNXMLFSKBYHOU-DHSIGJKJSA-N 1 0 347.890 4.150 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000850555144 1053308634 /nfs/dbraw/zinc/30/86/34/1053308634.db2.gz GFAPAORJBGWUMV-GTNSWQLSSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000120103111 1053313421 /nfs/dbraw/zinc/31/34/21/1053313421.db2.gz FQKIPGMNFOAJBI-RDTXWAMCSA-N 1 0 340.492 4.352 20 10 EICDRO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565467 1053319048 /nfs/dbraw/zinc/31/90/48/1053319048.db2.gz FJSQSAVNXZIYFP-KRWDZBQOSA-N 1 0 330.516 4.096 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850566419 1053319850 /nfs/dbraw/zinc/31/98/50/1053319850.db2.gz NIVIBVQOUCWLOA-JOCHJYFZSA-N 1 0 338.495 4.135 20 10 EICDRO COc1cccc(C2([NH2+][C@@H](C)c3cc(OC)ccc3O)CCC2)c1 ZINC000850566678 1053320844 /nfs/dbraw/zinc/32/08/44/1053320844.db2.gz PUTQVYYQLKYIQN-AWEZNQCLSA-N 1 0 327.424 4.139 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000850567924 1053322482 /nfs/dbraw/zinc/32/24/82/1053322482.db2.gz MGFHWPQDTSLUDH-OAQYLSRUSA-N 1 0 342.458 4.028 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000850570000 1053324188 /nfs/dbraw/zinc/32/41/88/1053324188.db2.gz PRPPVGOQEWFDHE-SECBINFHSA-N 1 0 329.293 4.123 20 10 EICDRO C[C@H]([NH2+]CCC1SCCS1)c1cc(Br)ccc1O ZINC000850571387 1053324320 /nfs/dbraw/zinc/32/43/20/1053324320.db2.gz UXAIEBIYRBBUPX-VIFPVBQESA-N 1 0 348.331 4.002 20 10 EICDRO C[C@@H]([NH2+]CCC1SCCS1)c1ccc(Br)cc1O ZINC000850570476 1053324773 /nfs/dbraw/zinc/32/47/73/1053324773.db2.gz JRZGPEZQCRXQBP-SECBINFHSA-N 1 0 348.331 4.002 20 10 EICDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000850572096 1053327707 /nfs/dbraw/zinc/32/77/07/1053327707.db2.gz AJZQVVRNYFHZGH-VWKPWSFCSA-N 1 0 335.447 4.361 20 10 EICDRO COc1ccccc1-c1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)on1 ZINC000850583222 1053334272 /nfs/dbraw/zinc/33/42/72/1053334272.db2.gz JOGDZLMLQUADRP-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000776496997 1053369891 /nfs/dbraw/zinc/36/98/91/1053369891.db2.gz DZSLVAMZTBEJTC-OAQYLSRUSA-N 1 0 338.495 4.372 20 10 EICDRO CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C)cc1O ZINC000794795160 1053379776 /nfs/dbraw/zinc/37/97/76/1053379776.db2.gz HDAPFABTORLUCS-FQEVSTJZSA-N 1 0 339.479 4.490 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C)cc1O ZINC000794802395 1053383651 /nfs/dbraw/zinc/38/36/51/1053383651.db2.gz FCJCSNHAUOIYGV-MSOLQXFVSA-N 1 0 330.472 4.417 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1O ZINC000794792900 1053387826 /nfs/dbraw/zinc/38/78/26/1053387826.db2.gz HIZDHKCVTXZYFI-QZTJIDSGSA-N 1 0 328.456 4.171 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1O ZINC000794792899 1053388386 /nfs/dbraw/zinc/38/83/86/1053388386.db2.gz HIZDHKCVTXZYFI-MSOLQXFVSA-N 1 0 328.456 4.171 20 10 EICDRO CC[N@H+](CCCc1ccncc1)Cc1cc(Br)ccc1O ZINC000764959229 1053393869 /nfs/dbraw/zinc/39/38/69/1053393869.db2.gz BHQIEUNFTXIHJW-UHFFFAOYSA-N 1 0 349.272 4.004 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1O ZINC000794804216 1053397596 /nfs/dbraw/zinc/39/75/96/1053397596.db2.gz UCRPKGGHDHCLEO-WBVHZDCISA-N 1 0 329.440 4.217 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)cc1 ZINC000101932665 1053401987 /nfs/dbraw/zinc/40/19/87/1053401987.db2.gz GZPZXBLUQAIDDP-UHFFFAOYSA-N 1 0 326.484 4.358 20 10 EICDRO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1O ZINC000109770877 1053421918 /nfs/dbraw/zinc/42/19/18/1053421918.db2.gz VTCZSAMGMNSTMA-OAHLLOKOSA-N 1 0 334.419 4.004 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C)cc1O ZINC000794814438 1053421915 /nfs/dbraw/zinc/42/19/15/1053421915.db2.gz LEPBQVRGDIIJBW-UKPHBRMFSA-N 1 0 345.405 4.225 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccc(C)cc1O ZINC000794815236 1053422060 /nfs/dbraw/zinc/42/20/60/1053422060.db2.gz GPURKSOVIVQVNZ-LJQANCHMSA-N 1 0 339.483 4.245 20 10 EICDRO Cc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O ZINC000775663252 1053431462 /nfs/dbraw/zinc/43/14/62/1053431462.db2.gz LPBJRJHXUNAONJ-RYUDHWBXSA-N 1 0 341.295 4.263 20 10 EICDRO CC[C@H]([NH2+][C@H](CCCOC)Cc1ccccc1)c1ccccc1O ZINC000794822227 1053437222 /nfs/dbraw/zinc/43/72/22/1053437222.db2.gz AZMDOIJSCZRASH-QUCCMNQESA-N 1 0 327.468 4.471 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000794823585 1053438422 /nfs/dbraw/zinc/43/84/22/1053438422.db2.gz FVWUGRKPKDPBTC-YJBOKZPZSA-N 1 0 331.431 4.220 20 10 EICDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765080625 1053438678 /nfs/dbraw/zinc/43/86/78/1053438678.db2.gz RBDQCSZLVDFPLE-ZIAGYGMSSA-N 1 0 344.421 4.066 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000794835260 1053472937 /nfs/dbraw/zinc/47/29/37/1053472937.db2.gz PGEUNABHAGXXEX-MAUKXSAKSA-N 1 0 334.479 4.018 20 10 EICDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256881 1053483683 /nfs/dbraw/zinc/48/36/83/1053483683.db2.gz YUEMEFSVGBCCCA-UONOGXRCSA-N 1 0 345.512 4.008 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc(OC)c(Cl)c2)ccc1OC ZINC000765278957 1053488338 /nfs/dbraw/zinc/48/83/38/1053488338.db2.gz DGHOSBMNPXUPIY-UHFFFAOYSA-N 1 0 349.858 4.184 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000765361876 1053515584 /nfs/dbraw/zinc/51/55/84/1053515584.db2.gz ZNYDSQMTRPDKBW-INIZCTEOSA-N 1 0 342.458 4.196 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(N(C)C)cc1 ZINC000851949652 1053536622 /nfs/dbraw/zinc/53/66/22/1053536622.db2.gz HLHTXTFHELIGOW-GFCCVEGCSA-N 1 0 338.373 4.344 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000765443129 1053554057 /nfs/dbraw/zinc/55/40/57/1053554057.db2.gz ZVCFECRKMKLCSD-LAUBAEHRSA-N 1 0 325.500 4.015 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000853243111 1053659999 /nfs/dbraw/zinc/65/99/99/1053659999.db2.gz XTJZSZIDZZLLHW-KGLIPLIRSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000780754942 1053668872 /nfs/dbraw/zinc/66/88/72/1053668872.db2.gz RKTKSALUYRBSST-PZJWPPBQSA-N 1 0 330.516 4.314 20 10 EICDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765549824 1053671036 /nfs/dbraw/zinc/67/10/36/1053671036.db2.gz YDGFZLVWAICYTL-INIZCTEOSA-N 1 0 334.479 4.162 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(Cl)cc1O ZINC000866423006 1053725807 /nfs/dbraw/zinc/72/58/07/1053725807.db2.gz LRAGDOSBLFVRAS-ZDUSSCGKSA-N 1 0 347.842 4.116 20 10 EICDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)s1 ZINC000866455475 1053738070 /nfs/dbraw/zinc/73/80/70/1053738070.db2.gz LYVYMCOUQKLQED-IUCAKERBSA-N 1 0 341.274 4.331 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866478866 1053743712 /nfs/dbraw/zinc/74/37/12/1053743712.db2.gz MBCPUWVCQYWQAB-OAHLLOKOSA-N 1 0 337.463 4.195 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000866485300 1053749514 /nfs/dbraw/zinc/74/95/14/1053749514.db2.gz OVKKXEKJGKJUMX-GUYCJALGSA-N 1 0 339.439 4.401 20 10 EICDRO C[C@@H]([NH2+]Cc1noc2ccc(F)cc21)c1cc2c(cc1O)CCCC2 ZINC000866510625 1053759562 /nfs/dbraw/zinc/75/95/62/1053759562.db2.gz GFYOKNQKTJQWFD-GFCCVEGCSA-N 1 0 340.398 4.402 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC000866568990 1053790593 /nfs/dbraw/zinc/79/05/93/1053790593.db2.gz JDCGKTAGFJEQIH-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000765607340 1053799713 /nfs/dbraw/zinc/79/97/13/1053799713.db2.gz ATNYIBZCEFZEQU-KRWDZBQOSA-N 1 0 349.352 4.297 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000121143045 1053801847 /nfs/dbraw/zinc/80/18/47/1053801847.db2.gz KHJCGVGCYHNFOA-JLSDUUJJSA-N 1 0 332.513 4.367 20 10 EICDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000121192660 1053817097 /nfs/dbraw/zinc/81/70/97/1053817097.db2.gz KSMLKNLFHMRMCU-LJQANCHMSA-N 1 0 338.495 4.299 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868089979 1053872037 /nfs/dbraw/zinc/87/20/37/1053872037.db2.gz ARSPRZSVJKFYGJ-OALUTQOASA-N 1 0 349.438 4.460 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776816154 1053944787 /nfs/dbraw/zinc/94/47/87/1053944787.db2.gz NNPBIGXAPRMSPL-AWEZNQCLSA-N 1 0 329.749 4.481 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000122706697 1054021557 /nfs/dbraw/zinc/02/15/57/1054021557.db2.gz GGXGVZCINCUTFK-OAHLLOKOSA-N 1 0 327.428 4.128 20 10 EICDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCC2 ZINC000122935741 1054061623 /nfs/dbraw/zinc/06/16/23/1054061623.db2.gz LFFBKGXLPCQJBB-INIZCTEOSA-N 1 0 341.524 4.255 20 10 EICDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2)n1 ZINC000775834553 1054120058 /nfs/dbraw/zinc/12/00/58/1054120058.db2.gz UZJFARMTJCKMJN-SFHVURJKSA-N 1 0 348.494 4.406 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834527 1054120454 /nfs/dbraw/zinc/12/04/54/1054120454.db2.gz URCQOJXZBUGRSC-GFCCVEGCSA-N 1 0 333.819 4.165 20 10 EICDRO c1csc([C@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000921625533 1054178947 /nfs/dbraw/zinc/17/89/47/1054178947.db2.gz MJXOVNLYMGLBLZ-LJQANCHMSA-N 1 0 336.460 4.347 20 10 EICDRO c1csc([C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000921625531 1054179773 /nfs/dbraw/zinc/17/97/73/1054179773.db2.gz MJXOVNLYMGLBLZ-IBGZPJMESA-N 1 0 336.460 4.347 20 10 EICDRO CC(C)[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Nc1ccccc1 ZINC001199117762 1054352162 /nfs/dbraw/zinc/35/21/62/1054352162.db2.gz FUGYEMMLKHVEBV-UVIRAJKCSA-N 1 0 337.511 4.492 20 10 EICDRO CN(c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1)C1CCCCC1 ZINC000857851131 1054372261 /nfs/dbraw/zinc/37/22/61/1054372261.db2.gz IDFHPZMNUYUPJP-FQEVSTJZSA-N 1 0 338.499 4.346 20 10 EICDRO COc1cc(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199286622 1054380825 /nfs/dbraw/zinc/38/08/25/1054380825.db2.gz RIZWULQHADFJFS-KXBFYZLASA-N 1 0 349.515 4.383 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC001203933593 1054397013 /nfs/dbraw/zinc/39/70/13/1054397013.db2.gz BBYKRAWSIGYPAH-UHFFFAOYSA-N 1 0 344.886 4.449 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000858090279 1054413992 /nfs/dbraw/zinc/41/39/92/1054413992.db2.gz KLIRNSRRQBHUQO-OAHLLOKOSA-N 1 0 338.270 4.457 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090339 1054415039 /nfs/dbraw/zinc/41/50/39/1054415039.db2.gz MTPISAQSJKDQGX-LLVKDONJSA-N 1 0 338.373 4.029 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)c1O ZINC000775978914 1054416156 /nfs/dbraw/zinc/41/61/56/1054416156.db2.gz XMXBZEFDGIMFPX-UHFFFAOYSA-N 1 0 337.419 4.300 20 10 EICDRO CC(C)([NH2+]Cc1c(O)cccc1Br)c1ccc(F)cc1 ZINC000858124396 1054419990 /nfs/dbraw/zinc/41/99/90/1054419990.db2.gz UDKCHXMFQMIEGJ-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1cccc(Cl)c1 ZINC001199571322 1054425901 /nfs/dbraw/zinc/42/59/01/1054425901.db2.gz NOKCSOSQBZFSLD-UHFFFAOYSA-N 1 0 330.186 4.007 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)COc2cccc(C)c2)cc1 ZINC001199629254 1054435958 /nfs/dbraw/zinc/43/59/58/1054435958.db2.gz DUAKQVNBWFVGFR-GOSISDBHSA-N 1 0 326.484 4.398 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OCC ZINC000858237650 1054442786 /nfs/dbraw/zinc/44/27/86/1054442786.db2.gz OICUYDBEFYFNQA-UHFFFAOYSA-N 1 0 329.440 4.178 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000776013721 1054447752 /nfs/dbraw/zinc/44/77/52/1054447752.db2.gz NWWJCVBDHIDETN-JOYOIKCWSA-N 1 0 337.769 4.217 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn(C)nc2C(F)F)c(C)n1-c1ccccc1 ZINC000858294631 1054455898 /nfs/dbraw/zinc/45/58/98/1054455898.db2.gz LFSXMEOUDYCCEY-UHFFFAOYSA-N 1 0 344.409 4.055 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2cn(C(F)F)c3ccccc23)c1 ZINC000858291635 1054456035 /nfs/dbraw/zinc/45/60/35/1054456035.db2.gz FSZSBMNYDXWXCS-UHFFFAOYSA-N 1 0 346.377 4.431 20 10 EICDRO CC(C)CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001199732422 1054456169 /nfs/dbraw/zinc/45/61/69/1054456169.db2.gz JNEBIPUCIOGBHQ-ICSRJNTNSA-N 1 0 330.516 4.218 20 10 EICDRO Cc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)c(C)n1-c1ccccc1 ZINC000858294959 1054456314 /nfs/dbraw/zinc/45/63/14/1054456314.db2.gz RTJXNBHVMJMDAE-UHFFFAOYSA-N 1 0 332.451 4.051 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000872642195 1054456694 /nfs/dbraw/zinc/45/66/94/1054456694.db2.gz AYAFMIWQSLTFTF-UHFFFAOYSA-N 1 0 328.481 4.050 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858330428 1054466804 /nfs/dbraw/zinc/46/68/04/1054466804.db2.gz VIDKIJGTAVSKKK-UHFFFAOYSA-N 1 0 329.749 4.440 20 10 EICDRO Cc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001199843925 1054476985 /nfs/dbraw/zinc/47/69/85/1054476985.db2.gz SMSNBQQHTSUONO-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000121551712 1054488870 /nfs/dbraw/zinc/48/88/70/1054488870.db2.gz NJXYZOZOYAHZQU-AGHHOFFYSA-N 1 0 340.511 4.348 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC001199916436 1054494609 /nfs/dbraw/zinc/49/46/09/1054494609.db2.gz AFLNOFNZANZHDS-UHFFFAOYSA-N 1 0 335.426 4.439 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1C ZINC000873170511 1054496988 /nfs/dbraw/zinc/49/69/88/1054496988.db2.gz YIISQAYMYBLYOU-UHFFFAOYSA-N 1 0 344.764 4.361 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)c1O ZINC000873163793 1054497584 /nfs/dbraw/zinc/49/75/84/1054497584.db2.gz ABJOTGOIGOCGGZ-UHFFFAOYSA-N 1 0 329.440 4.258 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490528 1054498725 /nfs/dbraw/zinc/49/87/25/1054498725.db2.gz JUZDEMCKRHVVGQ-NWDGAFQWSA-N 1 0 331.287 4.082 20 10 EICDRO c1oc(-c2ccccc2)nc1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001199952897 1054502682 /nfs/dbraw/zinc/50/26/82/1054502682.db2.gz WSLZZAWDPIOWBZ-UHFFFAOYSA-N 1 0 347.462 4.274 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2CCCOc3ccccc32)ccc1OC ZINC001199972160 1054508843 /nfs/dbraw/zinc/50/88/43/1054508843.db2.gz MIIFHPZXRBCASS-IBGZPJMESA-N 1 0 341.451 4.235 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858604672 1054534612 /nfs/dbraw/zinc/53/46/12/1054534612.db2.gz OCGPDECHEVOZGW-VFNWGFHPSA-N 1 0 339.483 4.348 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001203550077 1054652529 /nfs/dbraw/zinc/65/25/29/1054652529.db2.gz GXJHOQRFTFGWEV-INIZCTEOSA-N 1 0 332.241 4.492 20 10 EICDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000776166737 1054794134 /nfs/dbraw/zinc/79/41/34/1054794134.db2.gz DQQQDCBHCNXMRZ-OXQOHEQNSA-N 1 0 348.506 4.264 20 10 EICDRO COc1cc(O)c(C[NH2+]C(C)(C)Cc2ccccc2Cl)cc1OC ZINC000776173785 1054801885 /nfs/dbraw/zinc/80/18/85/1054801885.db2.gz MHTPSRLQTHUCCT-UHFFFAOYSA-N 1 0 349.858 4.174 20 10 EICDRO Cc1cccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c1O ZINC000776198704 1054869302 /nfs/dbraw/zinc/86/93/02/1054869302.db2.gz NLEZKYOAMXBGMU-HXUWFJFHSA-N 1 0 325.452 4.275 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742647 1054893200 /nfs/dbraw/zinc/89/32/00/1054893200.db2.gz RUTKYMQSUUJPMQ-RDBXKPKDSA-N 1 0 340.442 4.408 20 10 EICDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000876544468 1054927324 /nfs/dbraw/zinc/92/73/24/1054927324.db2.gz ULSALUSWBAVENF-LJQANCHMSA-N 1 0 342.508 4.046 20 10 EICDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccsc3)cc2)CC1 ZINC000876579808 1054931342 /nfs/dbraw/zinc/93/13/42/1054931342.db2.gz LZTJPKKGTMWIDO-HXUWFJFHSA-N 1 0 342.508 4.046 20 10 EICDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001201930191 1054942352 /nfs/dbraw/zinc/94/23/52/1054942352.db2.gz WDXWZSICYCMBFA-RYRKJORJSA-N 1 0 345.487 4.499 20 10 EICDRO Cc1cccc(O)c1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000876752707 1054955423 /nfs/dbraw/zinc/95/54/23/1054955423.db2.gz WVERFDFXYNPPPP-UHFFFAOYSA-N 1 0 327.268 4.017 20 10 EICDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OCC ZINC000876882355 1054977925 /nfs/dbraw/zinc/97/79/25/1054977925.db2.gz GUBVTZNBEFEEDC-HNNXBMFYSA-N 1 0 329.440 4.349 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCCO1 ZINC000862213658 1055029600 /nfs/dbraw/zinc/02/96/00/1055029600.db2.gz RZHSFKWYNXCGQC-IBGZPJMESA-N 1 0 336.435 4.055 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336579 1055042358 /nfs/dbraw/zinc/04/23/58/1055042358.db2.gz KNAGVWVSEADRNA-QUCCMNQESA-N 1 0 329.415 4.192 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CC[P@@](C)(=O)OCC ZINC000877479212 1055061451 /nfs/dbraw/zinc/06/14/51/1055061451.db2.gz UNYYEFGTKCQUAU-QRQCRPRQSA-N 1 0 326.421 4.085 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000118952191 1055071107 /nfs/dbraw/zinc/07/11/07/1055071107.db2.gz KEJVRZCQODOYDU-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000862476057 1055072523 /nfs/dbraw/zinc/07/25/23/1055072523.db2.gz GZIWYJFRBQBUKI-INIZCTEOSA-N 1 0 340.467 4.331 20 10 EICDRO Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c(O)c1 ZINC000877618458 1055092089 /nfs/dbraw/zinc/09/20/89/1055092089.db2.gz VKPSHKJTFKXXLG-UHFFFAOYSA-N 1 0 333.435 4.023 20 10 EICDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000776256370 1055092568 /nfs/dbraw/zinc/09/25/68/1055092568.db2.gz AFAXUWSEDHTFQS-UHFFFAOYSA-N 1 0 347.842 4.291 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877757870 1055114167 /nfs/dbraw/zinc/11/41/67/1055114167.db2.gz XLQYOWFZQOVCRA-BLIXFSHQSA-N 1 0 336.479 4.411 20 10 EICDRO Cc1cc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)ncn1 ZINC000794452280 1055123708 /nfs/dbraw/zinc/12/37/08/1055123708.db2.gz ANZRHEWKIILBBB-QGZVFWFLSA-N 1 0 333.435 4.254 20 10 EICDRO Cc1ccc(CCC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000776265809 1055130660 /nfs/dbraw/zinc/13/06/60/1055130660.db2.gz QKAJOPYXLOXWTO-UHFFFAOYSA-N 1 0 337.511 4.445 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)nc2)cc1 ZINC000126799609 1055153726 /nfs/dbraw/zinc/15/37/26/1055153726.db2.gz JYYLXHDSZVCCCT-KRWDZBQOSA-N 1 0 340.515 4.235 20 10 EICDRO Cc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c(O)c1 ZINC000186343017 1055369772 /nfs/dbraw/zinc/36/97/72/1055369772.db2.gz UJGBNFCHOKPBTH-MRXNPFEDSA-N 1 0 342.508 4.423 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OC(C)C ZINC000186381496 1055417007 /nfs/dbraw/zinc/41/70/07/1055417007.db2.gz ASVMNQGXJZTGLB-VLIAUNLRSA-N 1 0 347.430 4.357 20 10 EICDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1O ZINC000765821089 1055667464 /nfs/dbraw/zinc/66/74/64/1055667464.db2.gz YSMIPOPTMNRYAE-GTNSWQLSSA-N 1 0 340.250 4.257 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)cn1 ZINC000765857791 1056013025 /nfs/dbraw/zinc/01/30/25/1056013025.db2.gz FYKVTKHJCYXYPK-INIZCTEOSA-N 1 0 327.472 4.177 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)cn1 ZINC000765857792 1056013362 /nfs/dbraw/zinc/01/33/62/1056013362.db2.gz FYKVTKHJCYXYPK-MRXNPFEDSA-N 1 0 327.472 4.177 20 10 EICDRO Cc1cccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1O ZINC000186465290 1056519926 /nfs/dbraw/zinc/51/99/26/1056519926.db2.gz PSVHMYZNJMSYJF-UHFFFAOYSA-N 1 0 325.452 4.177 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1C ZINC000742366120 1058573857 /nfs/dbraw/zinc/57/38/57/1058573857.db2.gz LNKKNCVCUOONDK-UHFFFAOYSA-N 1 0 347.842 4.114 20 10 EICDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000742381231 1058583219 /nfs/dbraw/zinc/58/32/19/1058583219.db2.gz XCZGAGZGWCLREH-NSHDSACASA-N 1 0 338.245 4.167 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000742385094 1058586934 /nfs/dbraw/zinc/58/69/34/1058586934.db2.gz RUFSFPJMJPEMIH-QGZVFWFLSA-N 1 0 346.421 4.355 20 10 EICDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000742385805 1058588095 /nfs/dbraw/zinc/58/80/95/1058588095.db2.gz VLGLJUKRHOESGC-UHFFFAOYSA-N 1 0 347.842 4.291 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000742373205 1058599453 /nfs/dbraw/zinc/59/94/53/1058599453.db2.gz RQUNLMRXRYHLIY-UHFFFAOYSA-N 1 0 338.495 4.328 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1F ZINC000742378972 1058605442 /nfs/dbraw/zinc/60/54/42/1058605442.db2.gz PVRWTRSRVOLCAH-INIZCTEOSA-N 1 0 331.479 4.121 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@@H](C(C)C)C3)c2c1 ZINC000743396357 1058975288 /nfs/dbraw/zinc/97/52/88/1058975288.db2.gz RCWWJDWAZRFICQ-LJQANCHMSA-N 1 0 331.481 4.127 20 10 EICDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000766331508 1059830488 /nfs/dbraw/zinc/83/04/88/1059830488.db2.gz RXZFQGJGAKMALA-GDBMZVCRSA-N 1 0 341.451 4.180 20 10 EICDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766365784 1060310965 /nfs/dbraw/zinc/31/09/65/1060310965.db2.gz PJGMGQGZYLUNMX-RTBURBONSA-N 1 0 332.532 4.372 20 10 EICDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000766368531 1060316988 /nfs/dbraw/zinc/31/69/88/1060316988.db2.gz INRRHORKDYMTKB-SFHVURJKSA-N 1 0 330.516 4.270 20 10 EICDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766480866 1060385390 /nfs/dbraw/zinc/38/53/90/1060385390.db2.gz WFNRXNDQMVWVNX-XRTORIHISA-N 1 0 334.479 4.160 20 10 EICDRO CCOc1cccc(C[NH2+]CCc2c(C)oc3ccccc32)c1O ZINC000766480711 1060386973 /nfs/dbraw/zinc/38/69/73/1060386973.db2.gz ZFXISALELBKGME-UHFFFAOYSA-N 1 0 325.408 4.178 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766538163 1060514687 /nfs/dbraw/zinc/51/46/87/1060514687.db2.gz RHYPYEIOAUMUPK-BJLQDIEVSA-N 1 0 341.543 4.343 20 10 EICDRO CCCC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC001169754344 1060943485 /nfs/dbraw/zinc/94/34/85/1060943485.db2.gz KWNQBUYNXYLKGW-UHFFFAOYSA-N 1 0 346.858 4.286 20 10 EICDRO CN(C)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000729678950 1032127831 /nfs/dbraw/zinc/12/78/31/1032127831.db2.gz ONJDOPOCINYGLW-UHFFFAOYSA-N 1 0 332.447 4.415 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000786953943 1046883213 /nfs/dbraw/zinc/88/32/13/1046883213.db2.gz PGCYSIHNRJWQKK-WCQYABFASA-N 1 0 325.758 4.054 20 10 EICDRO COc1cc(Cl)c(CN2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001142296555 1032289861 /nfs/dbraw/zinc/28/98/61/1032289861.db2.gz HRIKRRFBWQUHGB-UHFFFAOYSA-N 1 0 338.234 4.266 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1O ZINC000841752509 1032337140 /nfs/dbraw/zinc/33/71/40/1032337140.db2.gz PGMJNQNFOXPNMM-ABKXIKBNSA-N 1 0 344.213 4.222 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000529644967 1032492832 /nfs/dbraw/zinc/49/28/32/1032492832.db2.gz RNIHEPZJUNOGPE-QGZVFWFLSA-N 1 0 332.831 4.080 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1cc(C)ccc1C ZINC000529676733 1032528066 /nfs/dbraw/zinc/52/80/66/1032528066.db2.gz VWHMRRCHVLXWHQ-KRWDZBQOSA-N 1 0 329.440 4.267 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175754726 1019503888 /nfs/dbraw/zinc/50/38/88/1019503888.db2.gz LYHCLRXGPMRLRO-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO C[C@@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698019 1019919189 /nfs/dbraw/zinc/91/91/89/1019919189.db2.gz WZUGARCHJVQWBT-ZIAGYGMSSA-N 1 0 332.879 4.150 20 10 EICDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000275066240 1020071591 /nfs/dbraw/zinc/07/15/91/1020071591.db2.gz XVZUUAVCASLNCC-ZWOKBUDYSA-N 1 0 327.468 4.063 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nsnc21 ZINC001167107854 1020184160 /nfs/dbraw/zinc/18/41/60/1020184160.db2.gz IJEPNBDUYHXDMG-UHFFFAOYSA-N 1 0 340.496 4.168 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(N4CCCCC4)cc3)cn21 ZINC000160288431 1020805101 /nfs/dbraw/zinc/80/51/01/1020805101.db2.gz AGUPTFCOIQOZQV-GOSISDBHSA-N 1 0 348.494 4.484 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000310640998 1021355091 /nfs/dbraw/zinc/35/50/91/1021355091.db2.gz AOTRHAVBASYFOS-OAHLLOKOSA-N 1 0 348.487 4.141 20 10 EICDRO COc1cccc(C[N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)c1 ZINC000023383734 1021458750 /nfs/dbraw/zinc/45/87/50/1021458750.db2.gz PYTWRRRNTGEDPJ-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(Cl)cc1 ZINC000892531403 1021800082 /nfs/dbraw/zinc/80/00/82/1021800082.db2.gz SONNOBRPBWMWQL-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c(O)c1OC ZINC000892588846 1022351884 /nfs/dbraw/zinc/35/18/84/1022351884.db2.gz KTWBTIJESURQTH-CQSZACIVSA-N 1 0 345.439 4.047 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895866 1022420020 /nfs/dbraw/zinc/42/00/20/1022420020.db2.gz OBEOXUMCFHFGLW-DLBZAZTESA-N 1 0 326.488 4.212 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)c(O)c1OC ZINC000892616214 1022557016 /nfs/dbraw/zinc/55/70/16/1022557016.db2.gz YHKFBMVPJPPJNM-CYBMUJFWSA-N 1 0 341.407 4.315 20 10 EICDRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404594 1022639278 /nfs/dbraw/zinc/63/92/78/1022639278.db2.gz CADYKVJXSSORSQ-QGZVFWFLSA-N 1 0 347.522 4.339 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 ZINC000363859413 1022861338 /nfs/dbraw/zinc/86/13/38/1022861338.db2.gz FZZOUGMOQYLMMV-JLTOFOAXSA-N 1 0 326.440 4.378 20 10 EICDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000184916293 1022971901 /nfs/dbraw/zinc/97/19/01/1022971901.db2.gz CHIXOCNSBWZCGJ-CQSZACIVSA-N 1 0 334.419 4.355 20 10 EICDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185228343 1023023921 /nfs/dbraw/zinc/02/39/21/1023023921.db2.gz WRWWXZZKSNTWNJ-LSDHHAIUSA-N 1 0 329.440 4.081 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000363950656 1023034725 /nfs/dbraw/zinc/03/47/25/1023034725.db2.gz IUMJYYATAWHOHW-UHFFFAOYSA-N 1 0 349.434 4.185 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630775 1023059923 /nfs/dbraw/zinc/05/99/23/1023059923.db2.gz KEBURQOQHAEHBN-KDOFPFPSSA-N 1 0 329.440 4.211 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c(O)c1 ZINC000376891523 1023329843 /nfs/dbraw/zinc/32/98/43/1023329843.db2.gz BVGHHFFEPJPVGT-CABCVRRESA-N 1 0 337.423 4.032 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)ccc1OC ZINC000188872187 1023386608 /nfs/dbraw/zinc/38/66/08/1023386608.db2.gz YQSSQEFZGUJGKX-LJQANCHMSA-N 1 0 341.451 4.154 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc2c(cc1O)CCCC2 ZINC000756534055 1023394526 /nfs/dbraw/zinc/39/45/26/1023394526.db2.gz KDLICMWOWOXUAI-LSDHHAIUSA-N 1 0 325.452 4.258 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000188950125 1023396117 /nfs/dbraw/zinc/39/61/17/1023396117.db2.gz HHZJEIAEIVKYBC-SFHVURJKSA-N 1 0 327.424 4.103 20 10 EICDRO COc1cccc([C@H]([NH2+]Cc2cc(C)c(C)cc2O)c2ccccn2)c1 ZINC000364191520 1023472494 /nfs/dbraw/zinc/47/24/94/1023472494.db2.gz UEGJONWQLPLIHJ-QFIPXVFZSA-N 1 0 348.446 4.292 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390408594 1023520515 /nfs/dbraw/zinc/52/05/15/1023520515.db2.gz DGSGZJNOSQAJKY-UHFFFAOYSA-N 1 0 344.462 4.021 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000311045848 1023527888 /nfs/dbraw/zinc/52/78/88/1023527888.db2.gz SYYJTYDWEZMDIS-UHFFFAOYSA-N 1 0 337.394 4.400 20 10 EICDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000236657271 1023635772 /nfs/dbraw/zinc/63/57/72/1023635772.db2.gz RORCGJVXUURHNK-NRFANRHFSA-N 1 0 338.495 4.400 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000756593459 1023705348 /nfs/dbraw/zinc/70/53/48/1023705348.db2.gz ZGIAXSNVODDFER-DIFFPNOSSA-N 1 0 340.250 4.392 20 10 EICDRO CCOC(CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)OCC ZINC000276606918 1023800057 /nfs/dbraw/zinc/80/00/57/1023800057.db2.gz YUMUZQKKKZNESN-QGZVFWFLSA-N 1 0 334.504 4.117 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000893933931 1033178299 /nfs/dbraw/zinc/17/82/99/1033178299.db2.gz SWXUYUYVYVZTLJ-LBPRGKRZSA-N 1 0 327.380 4.006 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc2ccccc2c1O ZINC000326689193 1025202652 /nfs/dbraw/zinc/20/26/52/1025202652.db2.gz QHFIFJOAZHGBBV-ZBFHGGJFSA-N 1 0 335.403 4.036 20 10 EICDRO Brc1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000236585420 1025246727 /nfs/dbraw/zinc/24/67/27/1025246727.db2.gz CVUJVNYUFSWJGA-QGZVFWFLSA-N 1 0 344.252 4.161 20 10 EICDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000317074414 1025429876 /nfs/dbraw/zinc/42/98/76/1025429876.db2.gz NNCRMDNILQQIMW-UHFFFAOYSA-N 1 0 343.298 4.007 20 10 EICDRO CCCN(Cc1cnc(CC(F)(F)F)s1)c1ccc(C[NH3+])cc1 ZINC000894045877 1033282700 /nfs/dbraw/zinc/28/27/00/1033282700.db2.gz IPDITXCMPSXURW-UHFFFAOYSA-N 1 0 343.418 4.123 20 10 EICDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c(O)c1OC ZINC000892053321 1025518034 /nfs/dbraw/zinc/51/80/34/1025518034.db2.gz UPXZBIQPESTILG-OAHLLOKOSA-N 1 0 331.412 4.120 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(OCCOC)c2)cc1 ZINC000162998478 1025690478 /nfs/dbraw/zinc/69/04/78/1025690478.db2.gz KXASIXMUFOPRGO-KRWDZBQOSA-N 1 0 342.483 4.019 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(N(C)C)cc1 ZINC000163008992 1025792384 /nfs/dbraw/zinc/79/23/84/1025792384.db2.gz IDRDXWFTQRFCNQ-NRFANRHFSA-N 1 0 342.483 4.019 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157821813 1026070514 /nfs/dbraw/zinc/07/05/14/1026070514.db2.gz XHMDPXQQUUONEG-SCWSEQNSSA-N 1 0 328.500 4.285 20 10 EICDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894520410 1026115610 /nfs/dbraw/zinc/11/56/10/1026115610.db2.gz MKNJNJXUSLWUSM-QGZVFWFLSA-N 1 0 345.439 4.001 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC000227441092 1026346823 /nfs/dbraw/zinc/34/68/23/1026346823.db2.gz QFSNKSIMHZNHSG-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO COc1cccc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1O ZINC000067011448 1026390411 /nfs/dbraw/zinc/39/04/11/1026390411.db2.gz STBYDNMLAUGAFJ-UHFFFAOYSA-N 1 0 339.357 4.445 20 10 EICDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000107821294 1026571610 /nfs/dbraw/zinc/57/16/10/1026571610.db2.gz LAOFEOMVJKXEHF-VQTJNVASSA-N 1 0 330.516 4.218 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090628 1026773612 /nfs/dbraw/zinc/77/36/12/1026773612.db2.gz OJMQFHAQASHBSX-OAHLLOKOSA-N 1 0 346.421 4.247 20 10 EICDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1C(F)(F)F ZINC001167625113 1027457793 /nfs/dbraw/zinc/45/77/93/1027457793.db2.gz RXACGXPQSGHSPS-UHFFFAOYSA-N 1 0 330.394 4.199 20 10 EICDRO CC[C@H]([NH2+]Cc1sccc1Br)c1ccccc1O ZINC000148049204 1027861109 /nfs/dbraw/zinc/86/11/09/1027861109.db2.gz FTVPYJGNFLAJSC-LBPRGKRZSA-N 1 0 326.259 4.457 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3OC)CC2)cc1 ZINC000156956215 1028877615 /nfs/dbraw/zinc/87/76/15/1028877615.db2.gz NBUNFJHYTKDNRB-INIZCTEOSA-N 1 0 340.467 4.023 20 10 EICDRO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000281841757 1028887603 /nfs/dbraw/zinc/88/76/03/1028887603.db2.gz AQSGUNQYQSQONI-UHFFFAOYSA-N 1 0 329.875 4.324 20 10 EICDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc2ccccc2c1O ZINC000278428681 1029202009 /nfs/dbraw/zinc/20/20/09/1029202009.db2.gz JFWKZJAYQUODMB-LLVKDONJSA-N 1 0 345.336 4.113 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000475189089 1029351640 /nfs/dbraw/zinc/35/16/40/1029351640.db2.gz DPWJWQVDEVODPA-UHFFFAOYSA-N 1 0 326.484 4.316 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000475192659 1029397316 /nfs/dbraw/zinc/39/73/16/1029397316.db2.gz AOJDOLGYJCHJDA-UHFFFAOYSA-N 1 0 336.483 4.016 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815242 1029430283 /nfs/dbraw/zinc/43/02/83/1029430283.db2.gz CNBBUTCHSPWFAT-IAGOWNOFSA-N 1 0 326.488 4.212 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132510595 1029474562 /nfs/dbraw/zinc/47/45/62/1029474562.db2.gz ZAHIWDFFZUDVQZ-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO COCC[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000840835832 1029530749 /nfs/dbraw/zinc/53/07/49/1029530749.db2.gz QZNZUACSDGZCBP-FXAWDEMLSA-N 1 0 327.468 4.328 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2)cc1 ZINC000237276603 1029634815 /nfs/dbraw/zinc/63/48/15/1029634815.db2.gz OOSXTEXAJKBERT-NRFANRHFSA-N 1 0 337.394 4.419 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc2ccccc2c1O ZINC000186136458 1030252245 /nfs/dbraw/zinc/25/22/45/1030252245.db2.gz YMKAQBWTRMJXHT-YYFZDKIDSA-N 1 0 343.492 4.251 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)c2ccc(F)cc2)ccc1OC ZINC000728595325 1030316420 /nfs/dbraw/zinc/31/64/20/1030316420.db2.gz ZLCWADUPDXBYMF-UHFFFAOYSA-N 1 0 345.458 4.438 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000191854540 1030660888 /nfs/dbraw/zinc/66/08/88/1030660888.db2.gz BCQIZWYNEDSNTN-RFUYNDQBSA-N 1 0 331.843 4.474 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000527924173 1030919583 /nfs/dbraw/zinc/91/95/83/1030919583.db2.gz HJSRLAAQNMJIJA-WFASDCNBSA-N 1 0 331.378 4.268 20 10 EICDRO CCC(CC)(C[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000310058391 1031008656 /nfs/dbraw/zinc/00/86/56/1031008656.db2.gz TXLHDPABBQAIHP-CQSZACIVSA-N 1 0 336.476 4.126 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000171133219 1031191194 /nfs/dbraw/zinc/19/11/94/1031191194.db2.gz FPXUNMXTGRXZIW-LJQANCHMSA-N 1 0 346.421 4.042 20 10 EICDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccccc4O)CC3)c2c1 ZINC000179563105 1031210158 /nfs/dbraw/zinc/21/01/58/1031210158.db2.gz GISHMZHBMRUMHT-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000179568780 1031219461 /nfs/dbraw/zinc/21/94/61/1031219461.db2.gz HGTWSKVPXOHNKE-KRWDZBQOSA-N 1 0 335.407 4.169 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1O ZINC000528656601 1031720375 /nfs/dbraw/zinc/72/03/75/1031720375.db2.gz IBIWPKSGIDHENY-GOSISDBHSA-N 1 0 344.842 4.274 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2)c1 ZINC000359978414 1031904441 /nfs/dbraw/zinc/90/44/41/1031904441.db2.gz ZUNUMRKMUATBQG-HNNXBMFYSA-N 1 0 334.419 4.314 20 10 EICDRO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C)cc1O ZINC000280036834 1035134550 /nfs/dbraw/zinc/13/45/50/1035134550.db2.gz IOKQKAQPEQFWTP-INIZCTEOSA-N 1 0 339.464 4.460 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1O ZINC000761198863 1036014872 /nfs/dbraw/zinc/01/48/72/1036014872.db2.gz WIMAUTCYWIWJNS-UHFFFAOYSA-N 1 0 348.805 4.007 20 10 EICDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000761216178 1036155553 /nfs/dbraw/zinc/15/55/53/1036155553.db2.gz MQZCHLFUSAREHF-QGHHPUGFSA-N 1 0 341.785 4.190 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165896469 1037027815 /nfs/dbraw/zinc/02/78/15/1037027815.db2.gz BTRGHHUHBQZMBM-DLBZAZTESA-N 1 0 342.458 4.383 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)c1O ZINC000272094639 1037097194 /nfs/dbraw/zinc/09/71/94/1037097194.db2.gz NVYFLXRMJZXUAT-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000163590602 1037213749 /nfs/dbraw/zinc/21/37/49/1037213749.db2.gz WIRVFIQOFQXLFK-HXUWFJFHSA-N 1 0 326.509 4.481 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)c1cc(Br)ccc1O ZINC000229557600 1037240157 /nfs/dbraw/zinc/24/01/57/1037240157.db2.gz JCFHDMDBLLZDCD-SCRDCRAPSA-N 1 0 344.318 4.480 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)ccc1O ZINC000229574215 1037260182 /nfs/dbraw/zinc/26/01/82/1037260182.db2.gz RBSUVLHTIODBQV-HIFRSBDPSA-N 1 0 342.277 4.155 20 10 EICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273296581 1037402207 /nfs/dbraw/zinc/40/22/07/1037402207.db2.gz AIASTEHHOQLCKL-HUUCEWRRSA-N 1 0 326.440 4.379 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc([S@](C)=O)cc1 ZINC000273516831 1037490125 /nfs/dbraw/zinc/49/01/25/1037490125.db2.gz SRWUVYRTBXTLMR-IBILFNBTSA-N 1 0 337.872 4.195 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1C ZINC000273529572 1037494152 /nfs/dbraw/zinc/49/41/52/1037494152.db2.gz VYEDHTXHFHXHKG-XAPDGSRCSA-N 1 0 331.481 4.158 20 10 EICDRO C[C@H]([NH2+]CCCC(F)(F)F)c1cc(Br)ccc1O ZINC000273616606 1037530869 /nfs/dbraw/zinc/53/08/69/1037530869.db2.gz XLKRASBZONQHBV-QMMMGPOBSA-N 1 0 326.156 4.148 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000760872191 1037551851 /nfs/dbraw/zinc/55/18/51/1037551851.db2.gz ZKGYUNLGRZFHGF-WTOJCKNJSA-N 1 0 349.858 4.481 20 10 EICDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000760910700 1037659322 /nfs/dbraw/zinc/65/93/22/1037659322.db2.gz YOVNRJCIJCCWCA-RYHLMMNBSA-N 1 0 338.495 4.234 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)C ZINC000157746578 1037931570 /nfs/dbraw/zinc/93/15/70/1037931570.db2.gz PBNCWYSCYPDXSA-ZDUSSCGKSA-N 1 0 326.431 4.281 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(Br)c1 ZINC000157747028 1037932315 /nfs/dbraw/zinc/93/23/15/1037932315.db2.gz HQNLEZOOICAHKP-UHFFFAOYSA-N 1 0 333.273 4.113 20 10 EICDRO CC[C@@H]([NH2+]CCC(F)(F)F)c1cc(Br)ccc1O ZINC000063098662 1038000144 /nfs/dbraw/zinc/00/01/44/1038000144.db2.gz OBIQAOLUMPPQON-SNVBAGLBSA-N 1 0 326.156 4.148 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000048162114 1038324420 /nfs/dbraw/zinc/32/44/20/1038324420.db2.gz SFZTXZRTNYEVJP-ZDUSSCGKSA-N 1 0 333.273 4.366 20 10 EICDRO Cc1c2ccccc2n(C)c1CNc1[nH+]ccn1Cc1ccccc1 ZINC000490063149 1038327957 /nfs/dbraw/zinc/32/79/57/1038327957.db2.gz XCQNFRNAGZGCDW-UHFFFAOYSA-N 1 0 330.435 4.344 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(Br)ccc1O ZINC000159990238 1040298308 /nfs/dbraw/zinc/29/83/08/1040298308.db2.gz SQBVGTBXKBYEAI-OCCSQVGLSA-N 1 0 342.277 4.153 20 10 EICDRO CCOCCCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000155217088 1040577332 /nfs/dbraw/zinc/57/73/32/1040577332.db2.gz SXIWLZVJVRHIBA-AWEZNQCLSA-N 1 0 330.266 4.012 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c(C)c1OC ZINC000927124189 1040759574 /nfs/dbraw/zinc/75/95/74/1040759574.db2.gz HZUOAZGRCXBXKO-OAHLLOKOSA-N 1 0 329.440 4.185 20 10 EICDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151568832 1042264949 /nfs/dbraw/zinc/26/49/49/1042264949.db2.gz KSXXOHCNLMRCRR-SFHVURJKSA-N 1 0 330.516 4.120 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152600476 1042914154 /nfs/dbraw/zinc/91/41/54/1042914154.db2.gz KJHZHVCSOWSCHV-JOCHJYFZSA-N 1 0 348.494 4.238 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000152694857 1042949278 /nfs/dbraw/zinc/94/92/78/1042949278.db2.gz METHTBHZUBCOSR-QZTJIDSGSA-N 1 0 338.495 4.497 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000895129910 1043134449 /nfs/dbraw/zinc/13/44/49/1043134449.db2.gz CVFKBRVIZZVYDU-UHFFFAOYSA-N 1 0 336.435 4.041 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000727470461 1043229579 /nfs/dbraw/zinc/22/95/79/1043229579.db2.gz FFMYLWSLIDICAJ-LJQANCHMSA-N 1 0 334.479 4.111 20 10 EICDRO FC(F)(F)c1cccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000728063311 1043346476 /nfs/dbraw/zinc/34/64/76/1043346476.db2.gz HWAGBJXYYALILG-UHFFFAOYSA-N 1 0 333.353 4.419 20 10 EICDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001143103500 1043377642 /nfs/dbraw/zinc/37/76/42/1043377642.db2.gz DSJMHYJPIFXPAH-UHFFFAOYSA-N 1 0 339.426 4.080 20 10 EICDRO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000730818369 1043630328 /nfs/dbraw/zinc/63/03/28/1043630328.db2.gz QOUMWWVSWCCLLN-OALUTQOASA-N 1 0 329.532 4.029 20 10 EICDRO CC[C@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)CCO2 ZINC000766072363 1043879883 /nfs/dbraw/zinc/87/98/83/1043879883.db2.gz HHNSLXDGBZWQFT-HNNXBMFYSA-N 1 0 334.510 4.301 20 10 EICDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(O)ccc3ccncc31)CCC2 ZINC000732189961 1043879966 /nfs/dbraw/zinc/87/99/66/1043879966.db2.gz WJIMFLHJRCKKHP-QGZVFWFLSA-N 1 0 339.464 4.215 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1F ZINC000733323215 1044185491 /nfs/dbraw/zinc/18/54/91/1044185491.db2.gz QBTCBVHWTKHZRN-UHFFFAOYSA-N 1 0 340.364 4.243 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000733328240 1044194236 /nfs/dbraw/zinc/19/42/36/1044194236.db2.gz SEMQOSNXINJJCA-HSZRJFAPSA-N 1 0 345.442 4.463 20 10 EICDRO CCOC[C@@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000733787563 1044311653 /nfs/dbraw/zinc/31/16/53/1044311653.db2.gz LPSUGDWXSIJHDK-OAHLLOKOSA-N 1 0 343.467 4.266 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000466360720 1044320831 /nfs/dbraw/zinc/32/08/31/1044320831.db2.gz IWMBJURLVPRCTK-KZNAEPCWSA-N 1 0 326.484 4.172 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)c3cccc(C)c3)CC2)cc1 ZINC000766137264 1044323374 /nfs/dbraw/zinc/32/33/74/1044323374.db2.gz FXQQRRTZGONFTB-GOSISDBHSA-N 1 0 338.495 4.366 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H](C)c3cccc(C)c3)CC2)cc1 ZINC000766138027 1044330320 /nfs/dbraw/zinc/33/03/20/1044330320.db2.gz FXQQRRTZGONFTB-SFHVURJKSA-N 1 0 338.495 4.366 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138500 1044330814 /nfs/dbraw/zinc/33/08/14/1044330814.db2.gz OLSXYZRBLHKFKX-YADHBBJMSA-N 1 0 348.494 4.431 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000227438537 1044435217 /nfs/dbraw/zinc/43/52/17/1044435217.db2.gz AFUBXHAXTQPFMT-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3ccc(F)cc3)CC1)CCC2 ZINC000734477066 1044587197 /nfs/dbraw/zinc/58/71/97/1044587197.db2.gz QTXRMLMACLJFAB-UHFFFAOYSA-N 1 0 341.426 4.063 20 10 EICDRO C[NH+](C)CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000734849504 1044699166 /nfs/dbraw/zinc/69/91/66/1044699166.db2.gz IKVFXNUKROMECY-CQSZACIVSA-N 1 0 333.303 4.155 20 10 EICDRO OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cccc(F)c1 ZINC000734847610 1044700647 /nfs/dbraw/zinc/70/06/47/1044700647.db2.gz QGGSLWNVCRRQEP-HXUWFJFHSA-N 1 0 337.394 4.022 20 10 EICDRO c1csc([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000895583684 1044815473 /nfs/dbraw/zinc/81/54/73/1044815473.db2.gz NKQBNRJNPMHMBI-QGZVFWFLSA-N 1 0 327.497 4.123 20 10 EICDRO CC(C)COc1ccc(C[NH2+]CCCSc2nccs2)cc1 ZINC000735925746 1044879273 /nfs/dbraw/zinc/87/92/73/1044879273.db2.gz POWDORJVAJJXJV-UHFFFAOYSA-N 1 0 336.526 4.450 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1C(C)C ZINC000738096529 1045032861 /nfs/dbraw/zinc/03/28/61/1045032861.db2.gz MAMHZHFHAFQWCB-LJQANCHMSA-N 1 0 330.516 4.274 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)oc1ccccc12 ZINC000738147639 1045039026 /nfs/dbraw/zinc/03/90/26/1045039026.db2.gz FGVGDADWQZLRRG-MRXNPFEDSA-N 1 0 347.418 4.325 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000738241116 1045052290 /nfs/dbraw/zinc/05/22/90/1045052290.db2.gz QBLOKCGOXBNUSX-FQEVSTJZSA-N 1 0 336.460 4.231 20 10 EICDRO Cc1ccc([C@@H](C)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000738435910 1045061463 /nfs/dbraw/zinc/06/14/63/1045061463.db2.gz OROTZLFNMXMEEM-ZDUSSCGKSA-N 1 0 334.257 4.356 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cccc(OC)c2O)C2CCC2)cc1 ZINC000922890920 1045142444 /nfs/dbraw/zinc/14/24/44/1045142444.db2.gz JMNOLFURBMFENI-IBGZPJMESA-N 1 0 327.424 4.040 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1F ZINC000740004431 1045174206 /nfs/dbraw/zinc/17/42/06/1045174206.db2.gz NAWPIVJDMLQOBA-OAHLLOKOSA-N 1 0 330.447 4.098 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1F ZINC000740004269 1045174263 /nfs/dbraw/zinc/17/42/63/1045174263.db2.gz MJEXFUKDXPMEMH-HNNXBMFYSA-N 1 0 330.447 4.098 20 10 EICDRO CCCC[NH+]1CCC(NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000740003979 1045174458 /nfs/dbraw/zinc/17/44/58/1045174458.db2.gz GVRKLIKUZOUMAG-UHFFFAOYSA-N 1 0 335.511 4.026 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC000762424307 1045230474 /nfs/dbraw/zinc/23/04/74/1045230474.db2.gz MGDXGARRBYYRQY-UHFFFAOYSA-N 1 0 327.230 4.488 20 10 EICDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)C1(C)C ZINC000740863691 1045231395 /nfs/dbraw/zinc/23/13/95/1045231395.db2.gz WSNNADLWYMOWKA-PMACEKPBSA-N 1 0 343.467 4.189 20 10 EICDRO CN(C)c1ccccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000741158008 1045276634 /nfs/dbraw/zinc/27/66/34/1045276634.db2.gz WPNLRMSISZPORF-UHFFFAOYSA-N 1 0 332.447 4.415 20 10 EICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237364878 1045382829 /nfs/dbraw/zinc/38/28/29/1045382829.db2.gz QUMVSUQEVMMGNO-HUUCEWRRSA-N 1 0 325.456 4.123 20 10 EICDRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1O)Cc1ccccc1 ZINC000790726723 1045569645 /nfs/dbraw/zinc/56/96/45/1045569645.db2.gz JFKLEXUTCRXBGW-MDOVXXIYSA-N 1 0 347.886 4.326 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000767726578 1045620577 /nfs/dbraw/zinc/62/05/77/1045620577.db2.gz DQTCINJMHDDQOL-UHFFFAOYSA-N 1 0 335.495 4.241 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1nccc2ccccc21)C[C@@H]1CCCO1 ZINC000768161574 1045728998 /nfs/dbraw/zinc/72/89/98/1045728998.db2.gz HEKITJQOXPPKIR-IBGZPJMESA-N 1 0 348.446 4.122 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000768163604 1045729751 /nfs/dbraw/zinc/72/97/51/1045729751.db2.gz ZVEQHUUYSRIBMJ-SZVBFZGTSA-N 1 0 341.451 4.290 20 10 EICDRO FC(F)(F)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768241148 1045751875 /nfs/dbraw/zinc/75/18/75/1045751875.db2.gz KNTLTFKBXMHFRV-UHFFFAOYSA-N 1 0 326.406 4.451 20 10 EICDRO CC(C)(C)c1cc(C[NH+]2CCC(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000768241600 1045754325 /nfs/dbraw/zinc/75/43/25/1045754325.db2.gz XAGAPBIIPVRYGH-UHFFFAOYSA-N 1 0 333.516 4.192 20 10 EICDRO Oc1cccc(Cl)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000768224059 1045756325 /nfs/dbraw/zinc/75/63/25/1045756325.db2.gz PRRHKGXLXWWZNW-UHFFFAOYSA-N 1 0 341.842 4.302 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1C ZINC000768224302 1045756879 /nfs/dbraw/zinc/75/68/79/1045756879.db2.gz WHFYMYCXACRSNF-UHFFFAOYSA-N 1 0 335.451 4.265 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cc1OC ZINC000768232004 1045759203 /nfs/dbraw/zinc/75/92/03/1045759203.db2.gz XQCXRDAUZIMORT-MRXNPFEDSA-N 1 0 347.842 4.400 20 10 EICDRO COc1cccc(C[N@H+]2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1O ZINC000768250854 1045763666 /nfs/dbraw/zinc/76/36/66/1045763666.db2.gz XXRIWAJHSZKZJD-UHFFFAOYSA-N 1 0 348.446 4.480 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000768248943 1045764152 /nfs/dbraw/zinc/76/41/52/1045764152.db2.gz LCEQFSOSTKLSQH-SFHVURJKSA-N 1 0 329.465 4.081 20 10 EICDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768263888 1045773839 /nfs/dbraw/zinc/77/38/39/1045773839.db2.gz YGCTYLMOJDYMPC-OAHLLOKOSA-N 1 0 343.427 4.371 20 10 EICDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(Cl)ccc2O)C2CC2)cc1 ZINC000768338014 1045792407 /nfs/dbraw/zinc/79/24/07/1045792407.db2.gz YDCYZVUPNAHFPF-UHFFFAOYSA-N 1 0 332.787 4.118 20 10 EICDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000768438660 1045807150 /nfs/dbraw/zinc/80/71/50/1045807150.db2.gz DIXRVBVSTNTDSL-HNNXBMFYSA-N 1 0 329.440 4.210 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1OC ZINC000768441681 1045807329 /nfs/dbraw/zinc/80/73/29/1045807329.db2.gz FOMAARVWYNLMAF-INIZCTEOSA-N 1 0 347.842 4.400 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440892 1045807434 /nfs/dbraw/zinc/80/74/34/1045807434.db2.gz HMDOAKXQJABUKJ-INIZCTEOSA-N 1 0 347.842 4.400 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768537736 1045816406 /nfs/dbraw/zinc/81/64/06/1045816406.db2.gz WVVBFOPRDJRGNY-NRFANRHFSA-N 1 0 337.394 4.022 20 10 EICDRO COc1cccc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1O ZINC000768678110 1045826602 /nfs/dbraw/zinc/82/66/02/1045826602.db2.gz OMLSSCMZCXDAAO-UHFFFAOYSA-N 1 0 329.415 4.485 20 10 EICDRO CCOc1cccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1O ZINC000768910553 1045858692 /nfs/dbraw/zinc/85/86/92/1045858692.db2.gz FWFLECMNCOXUGI-UHFFFAOYSA-N 1 0 339.357 4.442 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C ZINC000768918025 1045860085 /nfs/dbraw/zinc/86/00/85/1045860085.db2.gz FMXOYLRLZFYQKG-LJQANCHMSA-N 1 0 335.451 4.233 20 10 EICDRO Cc1ccc(C(=O)C2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000768927525 1045861676 /nfs/dbraw/zinc/86/16/76/1045861676.db2.gz WPTQFXGEMRUDNT-UHFFFAOYSA-N 1 0 343.854 4.449 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(COc3ccccc3)CC2)c1O ZINC000768938543 1045862350 /nfs/dbraw/zinc/86/23/50/1045862350.db2.gz MVIHTXYTOUOXCM-UHFFFAOYSA-N 1 0 341.451 4.082 20 10 EICDRO c1ccc2c(c1)CC[C@H]2[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768937625 1045862456 /nfs/dbraw/zinc/86/24/56/1045862456.db2.gz VNKGABSGMQMCCP-HSZRJFAPSA-N 1 0 348.490 4.175 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000792156420 1045867936 /nfs/dbraw/zinc/86/79/36/1045867936.db2.gz DFINZIGCOYXQAT-UHFFFAOYSA-N 1 0 340.515 4.014 20 10 EICDRO COC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)CCCCC1 ZINC000792162495 1045869909 /nfs/dbraw/zinc/86/99/09/1045869909.db2.gz RTHPBNIKANPLML-UHFFFAOYSA-N 1 0 329.440 4.337 20 10 EICDRO COc1cc(C[N@H+](Cc2cc(Cl)cc(C)c2O)C2CC2)ccc1O ZINC000792175007 1045875184 /nfs/dbraw/zinc/87/51/84/1045875184.db2.gz OTEQGDLYLDNBOV-UHFFFAOYSA-N 1 0 347.842 4.233 20 10 EICDRO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)cc1 ZINC000769105152 1045881244 /nfs/dbraw/zinc/88/12/44/1045881244.db2.gz NBDWYTGKIFYZKE-INIZCTEOSA-N 1 0 348.240 4.197 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)cc1OC ZINC000153836734 1045899441 /nfs/dbraw/zinc/89/94/41/1045899441.db2.gz GDSPMNIBOMOASC-INIZCTEOSA-N 1 0 342.483 4.401 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769399970 1045947884 /nfs/dbraw/zinc/94/78/84/1045947884.db2.gz ZCUYBCPZLVLYRK-UHFFFAOYSA-N 1 0 345.870 4.474 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1O ZINC000769390383 1045948863 /nfs/dbraw/zinc/94/88/63/1045948863.db2.gz WPUUOFFYTHOTOD-UHFFFAOYSA-N 1 0 329.415 4.310 20 10 EICDRO CN(C)c1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000769397431 1045967579 /nfs/dbraw/zinc/96/75/79/1045967579.db2.gz DGMGMMIBHXCFCT-UHFFFAOYSA-N 1 0 338.495 4.181 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000769462874 1045982385 /nfs/dbraw/zinc/98/23/85/1045982385.db2.gz LHHVMUFHBALTSW-IFXJQAMLSA-N 1 0 329.465 4.079 20 10 EICDRO COc1cccc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1O ZINC000769463703 1045983062 /nfs/dbraw/zinc/98/30/62/1045983062.db2.gz SXWSRBLDQSTJDY-KDOFPFPSSA-N 1 0 329.465 4.079 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3ccccc3F)CC2)c1O ZINC000769465220 1045983991 /nfs/dbraw/zinc/98/39/91/1045983991.db2.gz DQJXNLFVFDZFTC-UHFFFAOYSA-N 1 0 329.415 4.310 20 10 EICDRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001170288903 1045989847 /nfs/dbraw/zinc/98/98/47/1045989847.db2.gz ZAZIMZIZANAHLZ-ZDUSSCGKSA-N 1 0 331.843 4.131 20 10 EICDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000769511088 1046003451 /nfs/dbraw/zinc/00/34/51/1046003451.db2.gz SMBWUGBSCMPTIJ-UHFFFAOYSA-N 1 0 329.827 4.067 20 10 EICDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C1(C)C ZINC001170387999 1046027161 /nfs/dbraw/zinc/02/71/61/1046027161.db2.gz XLRNMOWNYOWZPV-CTNGQTDRSA-N 1 0 330.516 4.279 20 10 EICDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001170419115 1046051595 /nfs/dbraw/zinc/05/15/95/1046051595.db2.gz DKMOGQGLFDVVFS-YJBOKZPZSA-N 1 0 340.467 4.153 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccccc3)cs2)c1 ZINC000769788771 1046075589 /nfs/dbraw/zinc/07/55/89/1046075589.db2.gz YFLOQHPHSINIEQ-ZDUSSCGKSA-N 1 0 340.448 4.375 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000154043629 1046075674 /nfs/dbraw/zinc/07/56/74/1046075674.db2.gz AJFKQJFKEUXEOB-DLBZAZTESA-N 1 0 334.467 4.350 20 10 EICDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792898262 1046098021 /nfs/dbraw/zinc/09/80/21/1046098021.db2.gz LDNHLAVSARCSIM-GFCCVEGCSA-N 1 0 326.362 4.085 20 10 EICDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792929956 1046111009 /nfs/dbraw/zinc/11/10/09/1046111009.db2.gz FWMJRZSSKWKEOL-MSOLQXFVSA-N 1 0 348.506 4.091 20 10 EICDRO Cc1cc(O)c(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1C ZINC000769928796 1046114624 /nfs/dbraw/zinc/11/46/24/1046114624.db2.gz ANCQFGRLESOPKJ-UHFFFAOYSA-N 1 0 339.479 4.486 20 10 EICDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000792975493 1046114831 /nfs/dbraw/zinc/11/48/31/1046114831.db2.gz ALEOASGATNFKIH-UHFFFAOYSA-N 1 0 337.511 4.349 20 10 EICDRO COc1ccccc1[C@H](C[NH2+]Cc1c(O)cccc1Cl)OC(C)C ZINC000769933288 1046116010 /nfs/dbraw/zinc/11/60/10/1046116010.db2.gz JFYZUNZNLLRTLG-IBGZPJMESA-N 1 0 349.858 4.310 20 10 EICDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792995724 1046122095 /nfs/dbraw/zinc/12/20/95/1046122095.db2.gz OBXIDEKBEDCKDC-LBPRGKRZSA-N 1 0 332.410 4.065 20 10 EICDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793001764 1046123808 /nfs/dbraw/zinc/12/38/08/1046123808.db2.gz QTCDYNIOKMKBRJ-OCCSQVGLSA-N 1 0 332.435 4.145 20 10 EICDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793086580 1046136714 /nfs/dbraw/zinc/13/67/14/1046136714.db2.gz UFFBZZOBJVCMRR-CQSZACIVSA-N 1 0 344.421 4.020 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]Cc2ncccc2O)c(O)c(C(C)(C)C)c1 ZINC000793254394 1046191670 /nfs/dbraw/zinc/19/16/70/1046191670.db2.gz ACXQEYCTIWCSFF-UHFFFAOYSA-N 1 0 342.483 4.378 20 10 EICDRO CCn1nc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000770612906 1046238706 /nfs/dbraw/zinc/23/87/06/1046238706.db2.gz SNLNMLNLJYYWMT-UHFFFAOYSA-N 1 0 336.483 4.144 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000793625067 1046317548 /nfs/dbraw/zinc/31/75/48/1046317548.db2.gz PAGASAVIPSSCHW-UHFFFAOYSA-N 1 0 328.500 4.070 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(O)c1 ZINC000771933513 1046526627 /nfs/dbraw/zinc/52/66/27/1046526627.db2.gz KRRONWHJHAUWKA-LJQANCHMSA-N 1 0 327.424 4.137 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(C)ccc1OC ZINC000772444958 1046639086 /nfs/dbraw/zinc/63/90/86/1046639086.db2.gz FWPDIBJPEQAFCJ-GOSISDBHSA-N 1 0 330.447 4.450 20 10 EICDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785979412 1046794641 /nfs/dbraw/zinc/79/46/41/1046794641.db2.gz OJCSYGVDJPQKMB-BBTUJRGHSA-N 1 0 328.500 4.166 20 10 EICDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000786581420 1046849628 /nfs/dbraw/zinc/84/96/28/1046849628.db2.gz IVBMCOCPHILBIT-APWZRJJASA-N 1 0 335.447 4.108 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915993 1046880999 /nfs/dbraw/zinc/88/09/99/1046880999.db2.gz GJHWHLJIMSASIR-KUHUBIRLSA-N 1 0 332.875 4.444 20 10 EICDRO Cc1cscc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000786925647 1046886904 /nfs/dbraw/zinc/88/69/04/1046886904.db2.gz FVOBAEITXOLTLS-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333632 1046981726 /nfs/dbraw/zinc/98/17/26/1046981726.db2.gz WYKCKRDJXYRNRS-GOSISDBHSA-N 1 0 349.858 4.264 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332748 1046981989 /nfs/dbraw/zinc/98/19/89/1046981989.db2.gz ODODYRIJWMNOGJ-KRWDZBQOSA-N 1 0 349.858 4.264 20 10 EICDRO CCOCc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000787416177 1047004208 /nfs/dbraw/zinc/00/42/08/1047004208.db2.gz SUKVSYZKCWPZFE-UHFFFAOYSA-N 1 0 329.484 4.290 20 10 EICDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709676 1047062842 /nfs/dbraw/zinc/06/28/42/1047062842.db2.gz AXFHFHYJSDQZJS-ROUUACIJSA-N 1 0 339.435 4.279 20 10 EICDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133003 1047125722 /nfs/dbraw/zinc/12/57/22/1047125722.db2.gz FDWOAKMTYPMYTK-MLGOLLRUSA-N 1 0 345.314 4.472 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806136663 1047131894 /nfs/dbraw/zinc/13/18/94/1047131894.db2.gz FSGXJGRQHISHMY-MSOLQXFVSA-N 1 0 336.426 4.035 20 10 EICDRO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000806173102 1047157974 /nfs/dbraw/zinc/15/79/74/1047157974.db2.gz WPCSTWHFMFTVJV-RTBURBONSA-N 1 0 330.447 4.183 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000806142341 1047167447 /nfs/dbraw/zinc/16/74/47/1047167447.db2.gz ODVDHKRBHPNXAA-QGTPRVQTSA-N 1 0 336.426 4.035 20 10 EICDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000788544187 1047218279 /nfs/dbraw/zinc/21/82/79/1047218279.db2.gz DCUJKXNYSQOFJT-BQFCYCMXSA-N 1 0 332.463 4.028 20 10 EICDRO C[NH+](C)[C@H]1CCOc2c(NCc3cc(Cl)ccc3O)cccc21 ZINC000788532697 1047232061 /nfs/dbraw/zinc/23/20/61/1047232061.db2.gz SQGMBWINKQKZFL-INIZCTEOSA-N 1 0 332.831 4.043 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c(O)c1 ZINC000788594575 1047241783 /nfs/dbraw/zinc/24/17/83/1047241783.db2.gz NREZYKQXANKORX-ZBFHGGJFSA-N 1 0 346.421 4.217 20 10 EICDRO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788645348 1047245148 /nfs/dbraw/zinc/24/51/48/1047245148.db2.gz PIBUFSWHOIHZAS-OAHLLOKOSA-N 1 0 342.439 4.081 20 10 EICDRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)c1ccccc1 ZINC000788622591 1047253978 /nfs/dbraw/zinc/25/39/78/1047253978.db2.gz SBJAQJDBKNTZGE-PWSRMUCDSA-N 1 0 343.442 4.427 20 10 EICDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000788964619 1047335491 /nfs/dbraw/zinc/33/54/91/1047335491.db2.gz IXNSDHSGMOQZLO-UHFFFAOYSA-N 1 0 344.886 4.029 20 10 EICDRO CCOc1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)c(O)c1 ZINC000760443641 1047371682 /nfs/dbraw/zinc/37/16/82/1047371682.db2.gz SQXLFLFLQZJVOL-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO CC(C)[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(N(C)C)cc1 ZINC000789719629 1047467030 /nfs/dbraw/zinc/46/70/30/1047467030.db2.gz DEIMQGUJQLZELF-UHFFFAOYSA-N 1 0 338.455 4.146 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000918739086 1047629076 /nfs/dbraw/zinc/62/90/76/1047629076.db2.gz VHDZLOQCQBAUAL-HNNXBMFYSA-N 1 0 346.421 4.247 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000918738817 1047630632 /nfs/dbraw/zinc/63/06/32/1047630632.db2.gz PBLZUCFZNTZHDM-HNNXBMFYSA-N 1 0 346.421 4.247 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000154811993 1047649554 /nfs/dbraw/zinc/64/95/54/1047649554.db2.gz MUESTCXEYHOFON-IRXDYDNUSA-N 1 0 334.467 4.350 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 ZINC000237538177 1047866531 /nfs/dbraw/zinc/86/65/31/1047866531.db2.gz CMWYPMFIINLKTD-KXBFYZLASA-N 1 0 344.886 4.188 20 10 EICDRO COCc1csc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000824474419 1047872580 /nfs/dbraw/zinc/87/25/80/1047872580.db2.gz OLHQYHKCEKTQCO-UHFFFAOYSA-N 1 0 343.448 4.396 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824462955 1047877292 /nfs/dbraw/zinc/87/72/92/1047877292.db2.gz TXESTJHKNOVZPM-INIZCTEOSA-N 1 0 339.439 4.436 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468210 1047877532 /nfs/dbraw/zinc/87/75/32/1047877532.db2.gz GVKSJQHRWBPKSW-ADLMAVQZSA-N 1 0 333.378 4.407 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)c1ccccc1 ZINC000808447466 1047910691 /nfs/dbraw/zinc/91/06/91/1047910691.db2.gz ZUUDELBDAGNZQJ-OPAMFIHVSA-N 1 0 333.431 4.271 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808448450 1047911458 /nfs/dbraw/zinc/91/14/58/1047911458.db2.gz DRAUAAFJZBDXEY-XZOQPEGZSA-N 1 0 346.474 4.317 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)c1ccccc1 ZINC000808447467 1047912766 /nfs/dbraw/zinc/91/27/66/1047912766.db2.gz ZUUDELBDAGNZQJ-ZHRRBRCNSA-N 1 0 333.431 4.271 20 10 EICDRO COc1ccc(O)c(C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000814291143 1047940519 /nfs/dbraw/zinc/94/05/19/1047940519.db2.gz BSTUKCRFWIXIMY-UHFFFAOYSA-N 1 0 333.431 4.323 20 10 EICDRO Oc1cccc(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)c1O ZINC001171066054 1047941723 /nfs/dbraw/zinc/94/17/23/1047941723.db2.gz GGSNPLSNAIYWAK-ZDUSSCGKSA-N 1 0 338.234 4.052 20 10 EICDRO COC[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000824758194 1047942804 /nfs/dbraw/zinc/94/28/04/1047942804.db2.gz NBNPDZKIXJATEL-UKRRQHHQSA-N 1 0 349.858 4.135 20 10 EICDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)n1 ZINC000824820017 1047962299 /nfs/dbraw/zinc/96/22/99/1047962299.db2.gz XKNQKKNAIKBWHY-INIZCTEOSA-N 1 0 347.256 4.195 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)ccc1OC ZINC000814300384 1047966847 /nfs/dbraw/zinc/96/68/47/1047966847.db2.gz ITYPWUKTVNRAOT-IRJFHVNHSA-N 1 0 343.442 4.407 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892729 1047993293 /nfs/dbraw/zinc/99/32/93/1047993293.db2.gz AKYXQJCDKBRYMY-UXHICEINSA-N 1 0 337.463 4.327 20 10 EICDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000808680390 1048033553 /nfs/dbraw/zinc/03/35/53/1048033553.db2.gz LBMSWLRBMILGHZ-QZTJIDSGSA-N 1 0 332.532 4.200 20 10 EICDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000825090938 1048033942 /nfs/dbraw/zinc/03/39/42/1048033942.db2.gz OCNBPPUCASDZDF-IBGZPJMESA-N 1 0 325.452 4.042 20 10 EICDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000808681081 1048034951 /nfs/dbraw/zinc/03/49/51/1048034951.db2.gz WDJREYVMYGTDQO-JKSUJKDBSA-N 1 0 336.495 4.091 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000825120989 1048039133 /nfs/dbraw/zinc/03/91/33/1048039133.db2.gz OMPNPMIEJICNCS-LBPRGKRZSA-N 1 0 344.842 4.090 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2CCN(c3ccccc3)CC2)cc1Cl ZINC000825131414 1048043250 /nfs/dbraw/zinc/04/32/50/1048043250.db2.gz NRIKYDRHPFHJAE-UHFFFAOYSA-N 1 0 330.859 4.113 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cl ZINC000825150887 1048044609 /nfs/dbraw/zinc/04/46/09/1048044609.db2.gz LLRNHBQJUOICEZ-MOPGFXCFSA-N 1 0 331.843 4.364 20 10 EICDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808673251 1048045394 /nfs/dbraw/zinc/04/53/94/1048045394.db2.gz MJIMCVSVIZCNPZ-LBPRGKRZSA-N 1 0 332.831 4.163 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000808707297 1048053226 /nfs/dbraw/zinc/05/32/26/1048053226.db2.gz KMAHLTZGOQPATJ-BZNIZROVSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808706289 1048053863 /nfs/dbraw/zinc/05/38/63/1048053863.db2.gz GQRGSZPJMQSXLV-BXUZGUMPSA-N 1 0 325.861 4.108 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1O ZINC000808707760 1048055564 /nfs/dbraw/zinc/05/55/64/1048055564.db2.gz XZJGIXWVGHCUDG-QWQRMKEZSA-N 1 0 333.859 4.169 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000808708916 1048056609 /nfs/dbraw/zinc/05/66/09/1048056609.db2.gz RVZGJEBZXWWCMW-FZKQIMNGSA-N 1 0 330.859 4.191 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1O ZINC000808713592 1048058233 /nfs/dbraw/zinc/05/82/33/1048058233.db2.gz JDPOLTYSSONLDK-CYBMUJFWSA-N 1 0 343.858 4.134 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000825247229 1048058973 /nfs/dbraw/zinc/05/89/73/1048058973.db2.gz OTDXYTFJHDCLMT-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO Oc1ccccc1C[N@@H+](CC[C@H](O)c1ccccc1)C1CCCC1 ZINC000808727202 1048075929 /nfs/dbraw/zinc/07/59/29/1048075929.db2.gz DQFSEWBHGASBEE-NRFANRHFSA-N 1 0 325.452 4.261 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000808695279 1048076335 /nfs/dbraw/zinc/07/63/35/1048076335.db2.gz KLZHTBODDKCBJQ-WDEREUQCSA-N 1 0 345.830 4.348 20 10 EICDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000808761936 1048090386 /nfs/dbraw/zinc/09/03/86/1048090386.db2.gz VACROGMVCFKRBN-LJQANCHMSA-N 1 0 345.414 4.326 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)cc(Cl)c3)CC2)cc1 ZINC000815121339 1048334998 /nfs/dbraw/zinc/33/49/98/1048334998.db2.gz LBGHBLBZDROQOX-UHFFFAOYSA-N 1 0 344.886 4.416 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cc1C ZINC000815149799 1048367641 /nfs/dbraw/zinc/36/76/41/1048367641.db2.gz AKPZVMVOWIAARZ-UHFFFAOYSA-N 1 0 343.442 4.030 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]CCCC3CCCCC3)cc2F)CC1 ZINC000809609128 1048417925 /nfs/dbraw/zinc/41/79/25/1048417925.db2.gz DUXJBLIUYBMGHP-UHFFFAOYSA-N 1 0 348.506 4.237 20 10 EICDRO c1ccc(CN2CCc3cc(C[N@@H+]4CCC45CCOCC5)ccc32)cc1 ZINC000809654547 1048453435 /nfs/dbraw/zinc/45/34/35/1048453435.db2.gz GVEPMYLHQULYQN-UHFFFAOYSA-N 1 0 348.490 4.004 20 10 EICDRO COc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1O ZINC000809694675 1048459900 /nfs/dbraw/zinc/45/99/00/1048459900.db2.gz SYNLHHUHYLDHLB-MAUKXSAKSA-N 1 0 341.451 4.383 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809700115 1048465581 /nfs/dbraw/zinc/46/55/81/1048465581.db2.gz XVHORLSDDCIBNJ-AYBZRNKSSA-N 1 0 343.854 4.050 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1O ZINC000809729351 1048476137 /nfs/dbraw/zinc/47/61/37/1048476137.db2.gz SQVPLBOOGARRQA-INIZCTEOSA-N 1 0 347.256 4.195 20 10 EICDRO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000809703935 1048488520 /nfs/dbraw/zinc/48/85/20/1048488520.db2.gz WJTICGQNCURNFJ-FQEVSTJZSA-N 1 0 345.870 4.300 20 10 EICDRO CCC[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000809703481 1048489232 /nfs/dbraw/zinc/48/92/32/1048489232.db2.gz KOEWOMQKGXAMTR-OAQYLSRUSA-N 1 0 341.451 4.020 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000815553555 1048504918 /nfs/dbraw/zinc/50/49/18/1048504918.db2.gz CRPAAOBFVWPDLZ-JTHBVZDNSA-N 1 0 347.458 4.389 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000809740759 1048512593 /nfs/dbraw/zinc/51/25/93/1048512593.db2.gz CTOQPKXHXLCYEO-IAGOWNOFSA-N 1 0 331.843 4.480 20 10 EICDRO C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N(C)C1CC1 ZINC000815576142 1048516835 /nfs/dbraw/zinc/51/68/35/1048516835.db2.gz KNHFIUYWPAAXNK-LAUBAEHRSA-N 1 0 338.495 4.138 20 10 EICDRO C[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815578989 1048518100 /nfs/dbraw/zinc/51/81/00/1048518100.db2.gz BZHZARVAUQJGCZ-PZJWPPBQSA-N 1 0 325.452 4.082 20 10 EICDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815585113 1048522023 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EICDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595066 1048530744 /nfs/dbraw/zinc/53/07/44/1048530744.db2.gz GUTKWTAYITWJIS-XLIONFOSSA-N 1 0 341.495 4.453 20 10 EICDRO Cc1cc(C[C@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815596896 1048530993 /nfs/dbraw/zinc/53/09/93/1048530993.db2.gz HFKFPRRWAVUPTG-HRAATJIYSA-N 1 0 349.478 4.318 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)c(O)c1 ZINC000809784291 1048533061 /nfs/dbraw/zinc/53/30/61/1048533061.db2.gz SRQQYDFOCDQITO-IBGZPJMESA-N 1 0 329.440 4.383 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(O)CCCCC1 ZINC000815572370 1048534148 /nfs/dbraw/zinc/53/41/48/1048534148.db2.gz BIWVQIRENNTPDF-FQEVSTJZSA-N 1 0 339.479 4.351 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1O ZINC000809790509 1048534831 /nfs/dbraw/zinc/53/48/31/1048534831.db2.gz IILXPOUWFLPGPX-IAGOWNOFSA-N 1 0 347.842 4.064 20 10 EICDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809790982 1048536781 /nfs/dbraw/zinc/53/67/81/1048536781.db2.gz RGYMAPFCOGJFMV-OAQYLSRUSA-N 1 0 325.452 4.044 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000815615717 1048542313 /nfs/dbraw/zinc/54/23/13/1048542313.db2.gz VYSYRZMLTKBXRD-QUCCMNQESA-N 1 0 325.452 4.082 20 10 EICDRO C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000815637079 1048564546 /nfs/dbraw/zinc/56/45/46/1048564546.db2.gz LXRUQFPZHNQDEA-CYBMUJFWSA-N 1 0 337.389 4.060 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000815643114 1048567962 /nfs/dbraw/zinc/56/79/62/1048567962.db2.gz UJVQUJZFUDOHES-CVEARBPZSA-N 1 0 325.456 4.189 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1O ZINC000815648451 1048569618 /nfs/dbraw/zinc/56/96/18/1048569618.db2.gz MZHMHZMYSHMBAB-UONOGXRCSA-N 1 0 325.387 4.129 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000815647644 1048571840 /nfs/dbraw/zinc/57/18/40/1048571840.db2.gz QNMWAPWBWDWRDA-GJZGRUSLSA-N 1 0 339.414 4.437 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC(C)=C[C@H](C)C3)CC2)cc1 ZINC000810141901 1048646371 /nfs/dbraw/zinc/64/63/71/1048646371.db2.gz OVRYVJAXEAPGFZ-FUHWJXTLSA-N 1 0 328.500 4.246 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810217707 1048686364 /nfs/dbraw/zinc/68/63/64/1048686364.db2.gz AQTSEKJFFIIHAL-OAHLLOKOSA-N 1 0 341.377 4.429 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810227425 1048696258 /nfs/dbraw/zinc/69/62/58/1048696258.db2.gz WJHQEYGXGMNOQK-AWEZNQCLSA-N 1 0 331.378 4.268 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228046 1048696479 /nfs/dbraw/zinc/69/64/79/1048696479.db2.gz QHKLNYCPIJUIRP-GXTWGEPZSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810234669 1048701143 /nfs/dbraw/zinc/70/11/43/1048701143.db2.gz GGXSCKDEJXYACL-ZFWWWQNUSA-N 1 0 331.378 4.411 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810234668 1048702048 /nfs/dbraw/zinc/70/20/48/1048702048.db2.gz GGXSCKDEJXYACL-UKRRQHHQSA-N 1 0 331.378 4.411 20 10 EICDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000810260018 1048708738 /nfs/dbraw/zinc/70/87/38/1048708738.db2.gz ZYFJQWZGUBGXGT-LAUBAEHRSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236750 1048718202 /nfs/dbraw/zinc/71/82/02/1048718202.db2.gz MNACJADWUKHNNC-UFBFGSQYSA-N 1 0 345.390 4.373 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000810253348 1048732395 /nfs/dbraw/zinc/73/23/95/1048732395.db2.gz RZEZRSWECKJGCS-MGPUTAFESA-N 1 0 344.524 4.343 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1F ZINC000845938452 1048768007 /nfs/dbraw/zinc/76/80/07/1048768007.db2.gz HAGSAULYNAOAIZ-UHFFFAOYSA-N 1 0 327.403 4.103 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)c1 ZINC000845972792 1048772352 /nfs/dbraw/zinc/77/23/52/1048772352.db2.gz ULQHWMMFVXXABN-ULQDDVLXSA-N 1 0 340.467 4.481 20 10 EICDRO CCCCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1Cl ZINC000846058797 1048792630 /nfs/dbraw/zinc/79/26/30/1048792630.db2.gz UDUHDXMFWKESOW-UHFFFAOYSA-N 1 0 342.270 4.294 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058314 1048795078 /nfs/dbraw/zinc/79/50/78/1048795078.db2.gz PWBSZVYPWFVMMY-MOPGFXCFSA-N 1 0 335.451 4.150 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000846058136 1048798235 /nfs/dbraw/zinc/79/82/35/1048798235.db2.gz LSCAFKDDXHUYPF-UHFFFAOYSA-N 1 0 333.787 4.384 20 10 EICDRO CC[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000816480159 1048810493 /nfs/dbraw/zinc/81/04/93/1048810493.db2.gz FECQJWMQOBQNOC-UHFFFAOYSA-N 1 0 349.478 4.354 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(F)(F)F)c1O ZINC000779027040 1048810618 /nfs/dbraw/zinc/81/06/18/1048810618.db2.gz IGPJHVSPVYBDNJ-MRVPVSSYSA-N 1 0 326.156 4.066 20 10 EICDRO COc1cccc([C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816503449 1048821159 /nfs/dbraw/zinc/82/11/59/1048821159.db2.gz XWIJPOKHTGCIDT-OAQYLSRUSA-N 1 0 349.430 4.128 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)c2ccccc2Cl)c1O ZINC000846154441 1048824551 /nfs/dbraw/zinc/82/45/51/1048824551.db2.gz QTOMEYVGYUBZKU-SJCJKPOMSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000846153567 1048824753 /nfs/dbraw/zinc/82/47/53/1048824753.db2.gz HSBJAPYXFBYSGK-QWHCGFSZSA-N 1 0 330.384 4.029 20 10 EICDRO Oc1c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)ccc2ccccc21 ZINC000816535681 1048825208 /nfs/dbraw/zinc/82/52/08/1048825208.db2.gz WSCDJLVGHZSPBO-UHFFFAOYSA-N 1 0 343.430 4.080 20 10 EICDRO COc1ccc(Cl)cc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816541067 1048826886 /nfs/dbraw/zinc/82/68/86/1048826886.db2.gz BLUOXIRXMFOQDO-UHFFFAOYSA-N 1 0 327.811 4.497 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164947 1048827111 /nfs/dbraw/zinc/82/71/11/1048827111.db2.gz JJGTUBATYHZVRD-BLLLJJGKSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c1O ZINC000846170480 1048828160 /nfs/dbraw/zinc/82/81/60/1048828160.db2.gz LJNHQFMSWJWLRC-UONOGXRCSA-N 1 0 345.439 4.138 20 10 EICDRO Oc1c(C[NH2+]Cc2cccc(OCC(F)F)c2)ccc2ccccc21 ZINC000816548464 1048828919 /nfs/dbraw/zinc/82/89/19/1048828919.db2.gz ISQGSBDALRUMTQ-UHFFFAOYSA-N 1 0 343.373 4.479 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCOCc2ccccc2)c1O ZINC000846173357 1048829898 /nfs/dbraw/zinc/82/98/98/1048829898.db2.gz RFZDTRQVMINUBA-CVEARBPZSA-N 1 0 329.440 4.047 20 10 EICDRO C[NH+](C)CCOc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816524640 1048830303 /nfs/dbraw/zinc/83/03/03/1048830303.db2.gz MYMJRYQQHJNZDS-UHFFFAOYSA-N 1 0 336.435 4.098 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCCOCc2ccccc2)c1O ZINC000846141382 1048830413 /nfs/dbraw/zinc/83/04/13/1048830413.db2.gz IBMLLQUBSYZZNC-INIZCTEOSA-N 1 0 329.440 4.048 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)c1O ZINC000846139497 1048830620 /nfs/dbraw/zinc/83/06/20/1048830620.db2.gz OEGGVHXAIVZUKU-ABAIWWIYSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)c1O ZINC000846141942 1048830651 /nfs/dbraw/zinc/83/06/51/1048830651.db2.gz OGQZQHSKANISFD-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)c1O ZINC000846141744 1048830957 /nfs/dbraw/zinc/83/09/57/1048830957.db2.gz NHNFYWDELHHVDK-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](c2ccccc2)C2CCOCC2)c1O ZINC000846143376 1048831303 /nfs/dbraw/zinc/83/13/03/1048831303.db2.gz FCLXCVJQNANVFR-FOIQADDNSA-N 1 0 341.451 4.219 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)c2ccccc2OC)c1O ZINC000846142362 1048831363 /nfs/dbraw/zinc/83/13/63/1048831363.db2.gz RZTAALXDGKMHNR-CQSZACIVSA-N 1 0 329.440 4.038 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1O ZINC000846142529 1048832138 /nfs/dbraw/zinc/83/21/38/1048832138.db2.gz VCUQSZOYMJROBX-GFCCVEGCSA-N 1 0 344.842 4.429 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Br)cs2)c1O ZINC000846142309 1048832262 /nfs/dbraw/zinc/83/22/62/1048832262.db2.gz ZZQNAKVEXRMFIE-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846148081 1048832856 /nfs/dbraw/zinc/83/28/56/1048832856.db2.gz XCMZXHSILUVCIG-AWEZNQCLSA-N 1 0 346.446 4.237 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208151 1048833266 /nfs/dbraw/zinc/83/32/66/1048833266.db2.gz WBPFJRGVVGQTCT-XLIONFOSSA-N 1 0 349.478 4.377 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207923 1048833301 /nfs/dbraw/zinc/83/33/01/1048833301.db2.gz VGLMVADQEVWSOR-LPHOPBHVSA-N 1 0 335.451 4.069 20 10 EICDRO Oc1c(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816558299 1048834507 /nfs/dbraw/zinc/83/45/07/1048834507.db2.gz SVHJTEXGVHZMCQ-OAQYLSRUSA-N 1 0 333.431 4.149 20 10 EICDRO CC(C)(CO)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816558219 1048834559 /nfs/dbraw/zinc/83/45/59/1048834559.db2.gz RDHHAELFIABCFL-NRFANRHFSA-N 1 0 349.474 4.437 20 10 EICDRO Oc1c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)ccc2ccccc21 ZINC000816558642 1048835695 /nfs/dbraw/zinc/83/56/95/1048835695.db2.gz IAPSPUINITVFRE-KRWDZBQOSA-N 1 0 343.492 4.080 20 10 EICDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1O ZINC000846187074 1048836845 /nfs/dbraw/zinc/83/68/45/1048836845.db2.gz HXYDTTKVLJCLIV-VBKZILBWSA-N 1 0 325.452 4.401 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1OC ZINC000816630831 1048838230 /nfs/dbraw/zinc/83/82/30/1048838230.db2.gz SYJIQFVVWPXIMW-FQEVSTJZSA-N 1 0 339.435 4.137 20 10 EICDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC000816600982 1048842394 /nfs/dbraw/zinc/84/23/94/1048842394.db2.gz NDXBQUMGVRLHDF-YQQQUEKLSA-N 1 0 347.462 4.190 20 10 EICDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000772954157 1048906552 /nfs/dbraw/zinc/90/65/52/1048906552.db2.gz WVYGHSFPAQXLFR-QZTJIDSGSA-N 1 0 326.488 4.003 20 10 EICDRO c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc(C2CC2)c1 ZINC000817407246 1048960298 /nfs/dbraw/zinc/96/02/98/1048960298.db2.gz HCDPYQKTKAOPIF-UHFFFAOYSA-N 1 0 338.520 4.407 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817574969 1049006526 /nfs/dbraw/zinc/00/65/26/1049006526.db2.gz STECBAWSLPHIMV-AWEZNQCLSA-N 1 0 345.874 4.063 20 10 EICDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817585518 1049014625 /nfs/dbraw/zinc/01/46/25/1049014625.db2.gz FVKYEFCRKHKOHG-GOSISDBHSA-N 1 0 330.516 4.413 20 10 EICDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000806102046 1049055377 /nfs/dbraw/zinc/05/53/77/1049055377.db2.gz ZDFRVBRCPRPAMV-AWEZNQCLSA-N 1 0 325.416 4.174 20 10 EICDRO Cc1c2ccccc2oc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938601 1049061387 /nfs/dbraw/zinc/06/13/87/1049061387.db2.gz ODJKGUVOGQHGJF-KXBFYZLASA-N 1 0 337.467 4.158 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947163 1049064267 /nfs/dbraw/zinc/06/42/67/1049064267.db2.gz LXRTUFHBZBKVPL-WDMOLILDSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)c(Br)c1 ZINC000817956096 1049066123 /nfs/dbraw/zinc/06/61/23/1049066123.db2.gz QPXYJYWYTGFHSV-LLVKDONJSA-N 1 0 337.236 4.064 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)cc1F ZINC000817958403 1049066781 /nfs/dbraw/zinc/06/67/81/1049066781.db2.gz VHPXFXLMJWYFEQ-LLVKDONJSA-N 1 0 337.236 4.064 20 10 EICDRO CCOc1ccc([C@H](CC)[NH2+]CCc2ccc(N)cc2)cc1OCC ZINC000817956222 1049067089 /nfs/dbraw/zinc/06/70/89/1049067089.db2.gz UJDWVNISRRCNRA-IBGZPJMESA-N 1 0 342.483 4.350 20 10 EICDRO CSc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000811454143 1049068782 /nfs/dbraw/zinc/06/87/82/1049068782.db2.gz WLTNSZHIIPICTK-OAHLLOKOSA-N 1 0 349.521 4.357 20 10 EICDRO CSc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000811454142 1049069941 /nfs/dbraw/zinc/06/99/41/1049069941.db2.gz WLTNSZHIIPICTK-HNNXBMFYSA-N 1 0 349.521 4.357 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(SC)s3)CC2)cc1 ZINC000811458286 1049072040 /nfs/dbraw/zinc/07/20/40/1049072040.db2.gz SNBLDINIJNGLBZ-UHFFFAOYSA-N 1 0 348.537 4.191 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985329 1049078959 /nfs/dbraw/zinc/07/89/59/1049078959.db2.gz CQAAUCUCZFUSFF-BLTAXRJOSA-N 1 0 343.298 4.128 20 10 EICDRO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817984993 1049081178 /nfs/dbraw/zinc/08/11/78/1049081178.db2.gz DWIYYIJIGIGJQB-HNNXBMFYSA-N 1 0 329.271 4.050 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3sccc3Cl)C2)cc1 ZINC000818221942 1049111799 /nfs/dbraw/zinc/11/17/99/1049111799.db2.gz PMEUFFZNWIIMFH-CYBMUJFWSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818220615 1049112397 /nfs/dbraw/zinc/11/23/97/1049112397.db2.gz HNMFBLBNWRAVCO-DLBZAZTESA-N 1 0 342.458 4.054 20 10 EICDRO Cc1cc(O)c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000818288192 1049125347 /nfs/dbraw/zinc/12/53/47/1049125347.db2.gz ZIVATGLBFGTUDX-QGZVFWFLSA-N 1 0 331.481 4.252 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000818342352 1049134629 /nfs/dbraw/zinc/13/46/29/1049134629.db2.gz PMDZEDGGKNUTIG-WBVHZDCISA-N 1 0 328.456 4.082 20 10 EICDRO CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccn1 ZINC000818341630 1049134774 /nfs/dbraw/zinc/13/47/74/1049134774.db2.gz CBPCZDDIIHTWQN-YLJYHZDGSA-N 1 0 339.483 4.048 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3CCCF)C2)cc1 ZINC000818343139 1049135379 /nfs/dbraw/zinc/13/53/79/1049135379.db2.gz YRAGJAFRUKFPNE-FUHIMQAGSA-N 1 0 334.479 4.030 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C)s3)C2)cc1 ZINC000818345927 1049137393 /nfs/dbraw/zinc/13/73/93/1049137393.db2.gz YFNBKKVXVOCTNU-HOTGVXAUSA-N 1 0 330.497 4.242 20 10 EICDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781164 1049264528 /nfs/dbraw/zinc/26/45/28/1049264528.db2.gz ZFQIASWOEGPDNC-MJGOQNOKSA-N 1 0 347.499 4.088 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)CCCC2 ZINC000819903395 1049387257 /nfs/dbraw/zinc/38/72/57/1049387257.db2.gz WTPQIWNGKYDIHP-NRFANRHFSA-N 1 0 341.495 4.052 20 10 EICDRO CC(C)[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812290692 1049415438 /nfs/dbraw/zinc/41/54/38/1049415438.db2.gz FWQXLYXJISHHKE-CQSZACIVSA-N 1 0 329.440 4.017 20 10 EICDRO CC(C)[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@H]1CCOC1 ZINC000812290691 1049415841 /nfs/dbraw/zinc/41/58/41/1049415841.db2.gz FWQXLYXJISHHKE-AWEZNQCLSA-N 1 0 329.440 4.017 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1O ZINC000282797385 1049463588 /nfs/dbraw/zinc/46/35/88/1049463588.db2.gz QPKHADOTPFOCHC-ABAIWWIYSA-N 1 0 348.240 4.329 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000772999312 1049503363 /nfs/dbraw/zinc/50/33/63/1049503363.db2.gz ITQYASNDUQOGDS-QGZVFWFLSA-N 1 0 340.446 4.019 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000773001431 1049516818 /nfs/dbraw/zinc/51/68/18/1049516818.db2.gz SJAYLPBLVRZFOG-HNNXBMFYSA-N 1 0 327.428 4.128 20 10 EICDRO [NH3+][C@@H]1Cc2ccc(Nc3ccc(NCc4ccccc4)cc3)cc2C1 ZINC001159833099 1049537805 /nfs/dbraw/zinc/53/78/05/1049537805.db2.gz SCAUINMEVWTCKM-LJQANCHMSA-N 1 0 329.447 4.468 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773040942 1049544607 /nfs/dbraw/zinc/54/46/07/1049544607.db2.gz PDWLEJDTYPTSTN-VOBQZIQPSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+]CCNc1ccc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000773048479 1049552244 /nfs/dbraw/zinc/55/22/44/1049552244.db2.gz RGSMRWBFJWJDQZ-MRXNPFEDSA-N 1 0 334.467 4.064 20 10 EICDRO CC[NH+](CC)Cc1cncc(NCc2cc3ccccc3cc2O)c1 ZINC001171407370 1049635355 /nfs/dbraw/zinc/63/53/55/1049635355.db2.gz ORXCSHJJOZNSGG-UHFFFAOYSA-N 1 0 335.451 4.394 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171431890 1049670252 /nfs/dbraw/zinc/67/02/52/1049670252.db2.gz AQRFUZGRDKWMGC-FQEVSTJZSA-N 1 0 338.470 4.415 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1C ZINC000773253712 1049673007 /nfs/dbraw/zinc/67/30/07/1049673007.db2.gz XDRSRTAFARDKJM-UHFFFAOYSA-N 1 0 328.843 4.347 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)cc1OC ZINC000179660367 1049712515 /nfs/dbraw/zinc/71/25/15/1049712515.db2.gz CBUNDKMGMGIFHX-QGZVFWFLSA-N 1 0 327.424 4.055 20 10 EICDRO COc1ccc2oc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cc2c1 ZINC000813331392 1049752879 /nfs/dbraw/zinc/75/28/79/1049752879.db2.gz NSOWRXIIBFCMHD-LBPRGKRZSA-N 1 0 327.380 4.006 20 10 EICDRO CCCn1c(C[NH2+][C@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000813331810 1049753258 /nfs/dbraw/zinc/75/32/58/1049753258.db2.gz VNHRXYXBHVJJJB-CQSZACIVSA-N 1 0 339.439 4.011 20 10 EICDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001171560655 1049756667 /nfs/dbraw/zinc/75/66/67/1049756667.db2.gz VIULXMILYAOFPX-INIZCTEOSA-N 1 0 346.268 4.110 20 10 EICDRO CCOCc1cc(C[NH2+]CCOc2c(C)cccc2C)ccc1OC ZINC000747853953 1049768798 /nfs/dbraw/zinc/76/87/98/1049768798.db2.gz KJNUDXITWFUQMO-UHFFFAOYSA-N 1 0 343.467 4.017 20 10 EICDRO CC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@H]1CCOC1 ZINC000823404867 1049845313 /nfs/dbraw/zinc/84/53/13/1049845313.db2.gz XEIKBOWKXMDYFV-GOSISDBHSA-N 1 0 344.524 4.243 20 10 EICDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823477184 1049850758 /nfs/dbraw/zinc/85/07/58/1049850758.db2.gz MCULLQCBCTWUDM-GOSISDBHSA-N 1 0 344.524 4.243 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1O ZINC000180203723 1049862349 /nfs/dbraw/zinc/86/23/49/1049862349.db2.gz FUMLRUUDORZTMC-UHFFFAOYSA-N 1 0 325.452 4.129 20 10 EICDRO CC[C@@H](CC(C)C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172392515 1049905733 /nfs/dbraw/zinc/90/57/33/1049905733.db2.gz DQDXZNAOSYDVJG-IWMITWMQSA-N 1 0 342.483 4.253 20 10 EICDRO Cc1cccc(CN(Cc2cccc(C)n2)Cc2cccc(C)c2O)n1 ZINC000180698139 1049930874 /nfs/dbraw/zinc/93/08/74/1049930874.db2.gz URRKHWYCJSTQBG-UHFFFAOYSA-N 1 0 347.462 4.310 20 10 EICDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccccc1O ZINC001172577962 1049951768 /nfs/dbraw/zinc/95/17/68/1049951768.db2.gz XSSUTUDOHLQAOF-LLVKDONJSA-N 1 0 325.786 4.435 20 10 EICDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001177267659 1050183992 /nfs/dbraw/zinc/18/39/92/1050183992.db2.gz KVJVNUMTZUSNTF-DZGCQCFKSA-N 1 0 337.305 4.185 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1C ZINC001177424209 1050210728 /nfs/dbraw/zinc/21/07/28/1050210728.db2.gz DAIRKLBZUXXMPH-NRFANRHFSA-N 1 0 340.511 4.046 20 10 EICDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172872569 1050211191 /nfs/dbraw/zinc/21/11/91/1050211191.db2.gz CSOGYZDQEYVFIC-LBPRGKRZSA-N 1 0 337.872 4.064 20 10 EICDRO CC(C)(C)OCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177542512 1050249726 /nfs/dbraw/zinc/24/97/26/1050249726.db2.gz OEDYBOMHDRTZBU-UHFFFAOYSA-N 1 0 338.495 4.154 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccccn1 ZINC001177688267 1050279797 /nfs/dbraw/zinc/27/97/97/1050279797.db2.gz QAYMCZQNWDVQFU-SFHVURJKSA-N 1 0 328.456 4.258 20 10 EICDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001177729128 1050281538 /nfs/dbraw/zinc/28/15/38/1050281538.db2.gz HWWKABFUOXEZCB-OLZOCXBDSA-N 1 0 326.278 4.459 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cc1Cn1cccn1 ZINC001177949931 1050345293 /nfs/dbraw/zinc/34/52/93/1050345293.db2.gz UFEOYVFAWQMLML-VQIMIIECSA-N 1 0 341.499 4.244 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC001178369658 1050447604 /nfs/dbraw/zinc/44/76/04/1050447604.db2.gz MWRLOQHFAVUXJD-DLBZAZTESA-N 1 0 346.437 4.104 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1 ZINC001178375064 1050449482 /nfs/dbraw/zinc/44/94/82/1050449482.db2.gz XFBQFVNMZOGFEJ-QAPCUYQASA-N 1 0 332.513 4.196 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1 ZINC001178492724 1050467727 /nfs/dbraw/zinc/46/77/27/1050467727.db2.gz NOEKSXQQUUXHRT-IFMALSPDSA-N 1 0 338.495 4.370 20 10 EICDRO CN(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566308 1050508989 /nfs/dbraw/zinc/50/89/89/1050508989.db2.gz XGTLNXKBSLLCEP-IBGZPJMESA-N 1 0 344.886 4.058 20 10 EICDRO CCC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC001178634662 1050523142 /nfs/dbraw/zinc/52/31/42/1050523142.db2.gz QDMOQDQKWHGBEL-ICSRJNTNSA-N 1 0 348.437 4.023 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)cc1C ZINC001178762996 1050548110 /nfs/dbraw/zinc/54/81/10/1050548110.db2.gz WTOFJYWNIHBZCI-NRFANRHFSA-N 1 0 327.468 4.435 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1cccs1)c1ccc(C[NH3+])cc1 ZINC000775139992 1050605060 /nfs/dbraw/zinc/60/50/60/1050605060.db2.gz HKQCGMGNKKZRHA-UHFFFAOYSA-N 1 0 326.469 4.014 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3)C2)cc1 ZINC001179003317 1050608627 /nfs/dbraw/zinc/60/86/27/1050608627.db2.gz YFCUNQRQIVHBOC-IBGZPJMESA-N 1 0 346.474 4.465 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001179052933 1050617206 /nfs/dbraw/zinc/61/72/06/1050617206.db2.gz IJNZJEOSACWPPT-GNQFWKNRSA-N 1 0 349.522 4.020 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1 ZINC001179034430 1050621432 /nfs/dbraw/zinc/62/14/32/1050621432.db2.gz GWCNJOPGJPUGPL-SFHVURJKSA-N 1 0 325.500 4.429 20 10 EICDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179085886 1050628352 /nfs/dbraw/zinc/62/83/52/1050628352.db2.gz HXMJSRKWPZEWNP-OXJNMPFZSA-N 1 0 338.520 4.233 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)c1 ZINC000182464334 1050687277 /nfs/dbraw/zinc/68/72/77/1050687277.db2.gz SAXCYDZCSSLYJM-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO COc1cc(C[NH2+]CC(C)(C)CC(F)F)c(O)c(C(C)(C)C)c1 ZINC001179468710 1050700878 /nfs/dbraw/zinc/70/08/78/1050700878.db2.gz LVQAEFDHPDDOTL-UHFFFAOYSA-N 1 0 329.431 4.469 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c(Cl)c1 ZINC001179652750 1050737877 /nfs/dbraw/zinc/73/78/77/1050737877.db2.gz ZDUPHLJAUXODRO-IBGZPJMESA-N 1 0 331.843 4.150 20 10 EICDRO COCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CCCC1 ZINC001179858587 1050807436 /nfs/dbraw/zinc/80/74/36/1050807436.db2.gz HFZOXOWZPNYGKD-UHFFFAOYSA-N 1 0 335.488 4.089 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001179874465 1050812600 /nfs/dbraw/zinc/81/26/00/1050812600.db2.gz ZVPIADRJLUFQNY-LPHOPBHVSA-N 1 0 325.452 4.335 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC001179931573 1050821509 /nfs/dbraw/zinc/82/15/09/1050821509.db2.gz OMVHOPRLNNOJAI-QFIPXVFZSA-N 1 0 340.511 4.080 20 10 EICDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950747 1050828908 /nfs/dbraw/zinc/82/89/08/1050828908.db2.gz HFFWAKJYCLSIGH-SJORKVTESA-N 1 0 327.415 4.086 20 10 EICDRO CN(c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001179974696 1050838816 /nfs/dbraw/zinc/83/88/16/1050838816.db2.gz PXSKISRNUKRGBT-UHFFFAOYSA-N 1 0 330.859 4.146 20 10 EICDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1O ZINC001180051541 1050865604 /nfs/dbraw/zinc/86/56/04/1050865604.db2.gz HTZGYCQXSXFYLV-KRWDZBQOSA-N 1 0 333.859 4.127 20 10 EICDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(Br)cc1O ZINC001180064895 1050872174 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Oc1c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC001180297152 1050959392 /nfs/dbraw/zinc/95/93/92/1050959392.db2.gz QXJOFMWZGPYRJO-UHFFFAOYSA-N 1 0 346.474 4.253 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)c1O ZINC001180345317 1050962821 /nfs/dbraw/zinc/96/28/21/1050962821.db2.gz UXIIZACBBRUUCL-DJJJIMSYSA-N 1 0 333.859 4.474 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000773862420 1051022554 /nfs/dbraw/zinc/02/25/54/1051022554.db2.gz YQBYOSFTXWDKJQ-IBGZPJMESA-N 1 0 328.456 4.219 20 10 EICDRO C[C@@H]1Cc2cc(C[N@H+](Cc3ccc(N(C)C)cc3)C3CC3)ccc2O1 ZINC001180557720 1051032748 /nfs/dbraw/zinc/03/27/48/1051032748.db2.gz GBHPNOLNXAPISE-MRXNPFEDSA-N 1 0 336.479 4.241 20 10 EICDRO CCOCc1cc(C[NH2+]C2(Cc3ccccc3)CC2)ccc1OC ZINC000775326359 1051076524 /nfs/dbraw/zinc/07/65/24/1051076524.db2.gz RWUJTXWSUKSMKZ-UHFFFAOYSA-N 1 0 325.452 4.097 20 10 EICDRO CN(C)c1ccc(/C=C\CN(C)C(C)(C)C[NH+]2CCCCCC2)cc1 ZINC001181053315 1051136091 /nfs/dbraw/zinc/13/60/91/1051136091.db2.gz AJWKGWUNXZUZGD-KHPPLWFESA-N 1 0 343.559 4.352 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000775376756 1051158412 /nfs/dbraw/zinc/15/84/12/1051158412.db2.gz ZJYRNZUYYZOTJF-GFCCVEGCSA-N 1 0 342.826 4.453 20 10 EICDRO CN(C)c1ccc(F)cc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001181555332 1051251453 /nfs/dbraw/zinc/25/14/53/1051251453.db2.gz KVINWGRWWJQYGV-UHFFFAOYSA-N 1 0 341.474 4.124 20 10 EICDRO CCC[C@@H](C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1)OC ZINC001181566594 1051261538 /nfs/dbraw/zinc/26/15/38/1051261538.db2.gz YDBBGHKFBVDYIN-IBGZPJMESA-N 1 0 330.472 4.163 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729154 1051288718 /nfs/dbraw/zinc/28/87/18/1051288718.db2.gz KPNKRJDFPKMJQP-UONOGXRCSA-N 1 0 334.674 4.370 20 10 EICDRO C[N@H+](CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183735163 1051323841 /nfs/dbraw/zinc/32/38/41/1051323841.db2.gz PXYRQKVHXLOTRR-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC001181988219 1051365574 /nfs/dbraw/zinc/36/55/74/1051365574.db2.gz XESRIWJUPAUIPW-KRWDZBQOSA-N 1 0 349.883 4.421 20 10 EICDRO Cc1cc(O)c(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1Cl ZINC001182125452 1051395377 /nfs/dbraw/zinc/39/53/77/1051395377.db2.gz ABJDUDZZOZLSFG-HOTGVXAUSA-N 1 0 347.886 4.341 20 10 EICDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001182237945 1051445462 /nfs/dbraw/zinc/44/54/62/1051445462.db2.gz HIEFUYBGSDPFQC-GJZGRUSLSA-N 1 0 340.458 4.106 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccccc1O ZINC000775483204 1051551615 /nfs/dbraw/zinc/55/16/15/1051551615.db2.gz OXNFZFCZMRCKQU-ROUUACIJSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1O ZINC000775483558 1051553900 /nfs/dbraw/zinc/55/39/00/1051553900.db2.gz YBVMWBZTDPBMLK-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1O ZINC000775487023 1051560436 /nfs/dbraw/zinc/56/04/36/1051560436.db2.gz GCKRSAIIKKXFIS-GOSISDBHSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1cc(Cl)ccc1O ZINC000775491284 1051573012 /nfs/dbraw/zinc/57/30/12/1051573012.db2.gz HMUILYLALHVJDK-INIZCTEOSA-N 1 0 349.858 4.346 20 10 EICDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001182452508 1051580502 /nfs/dbraw/zinc/58/05/02/1051580502.db2.gz OFYYEMKTNZJHGQ-IXDOHACOSA-N 1 0 325.452 4.448 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1cc(Cl)ccc1O ZINC000775492864 1051591911 /nfs/dbraw/zinc/59/19/11/1051591911.db2.gz PGWXEYFGUHCSEO-SFHVURJKSA-N 1 0 349.858 4.312 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000774472030 1051603948 /nfs/dbraw/zinc/60/39/48/1051603948.db2.gz LBENUTWCSMJSJE-YLJYHZDGSA-N 1 0 344.499 4.013 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1cc(Cl)ccc1O ZINC000775497680 1051617988 /nfs/dbraw/zinc/61/79/88/1051617988.db2.gz BUOLYGDVHIGCPS-INIZCTEOSA-N 1 0 329.831 4.243 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1O ZINC000775508385 1051641916 /nfs/dbraw/zinc/64/19/16/1051641916.db2.gz IJBCMBSGZQVERJ-OAHLLOKOSA-N 1 0 334.803 4.237 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775504510 1051645246 /nfs/dbraw/zinc/64/52/46/1051645246.db2.gz ZOALYJPZDSBIJH-MEDUHNTESA-N 1 0 347.846 4.338 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Br)ccc1O ZINC000775512959 1051660421 /nfs/dbraw/zinc/66/04/21/1051660421.db2.gz ULTQWPBXNVNZBU-LRDDRELGSA-N 1 0 349.272 4.222 20 10 EICDRO CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000775514516 1051669836 /nfs/dbraw/zinc/66/98/36/1051669836.db2.gz ZAAUVGRNRKWOPG-ZDUSSCGKSA-N 1 0 347.768 4.045 20 10 EICDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001182683933 1051672708 /nfs/dbraw/zinc/67/27/08/1051672708.db2.gz IORQYNIRLIMMGR-BBRMVZONSA-N 1 0 339.863 4.037 20 10 EICDRO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182754782 1051682514 /nfs/dbraw/zinc/68/25/14/1051682514.db2.gz ORMXVVSSBQNHAS-OAHLLOKOSA-N 1 0 335.488 4.088 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000775521906 1051689209 /nfs/dbraw/zinc/68/92/09/1051689209.db2.gz DKWBUFGOSXBBMI-UKPHBRMFSA-N 1 0 341.904 4.141 20 10 EICDRO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1O ZINC000775522504 1051694602 /nfs/dbraw/zinc/69/46/02/1051694602.db2.gz RIURVKIXFAWGAE-XOKHGSTOSA-N 1 0 325.880 4.418 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775524587 1051710046 /nfs/dbraw/zinc/71/00/46/1051710046.db2.gz RPLCLMPRUBQKPB-XVGQJIODSA-N 1 0 333.859 4.078 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1cc(Cl)ccc1O ZINC000775526843 1051714133 /nfs/dbraw/zinc/71/41/33/1051714133.db2.gz MBRPBSHZOAVYES-KGLIPLIRSA-N 1 0 325.861 4.190 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000775527989 1051718505 /nfs/dbraw/zinc/71/85/05/1051718505.db2.gz WZAOVJXNEHWZPG-PSZVPEGOSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1O ZINC000775527647 1051721897 /nfs/dbraw/zinc/72/18/97/1051721897.db2.gz RVAGYKFNIBIHJE-HOCLYGCPSA-N 1 0 340.250 4.473 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC001182961441 1051748647 /nfs/dbraw/zinc/74/86/47/1051748647.db2.gz YQTYUTLTOPBLPW-MAUKXSAKSA-N 1 0 340.423 4.110 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC001182961444 1051750630 /nfs/dbraw/zinc/75/06/30/1051750630.db2.gz YQTYUTLTOPBLPW-YJBOKZPZSA-N 1 0 340.423 4.110 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2O ZINC000775568470 1051863330 /nfs/dbraw/zinc/86/33/30/1051863330.db2.gz LHWGEPIMVFJWDF-MLGOLLRUSA-N 1 0 329.415 4.097 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000076275420 1051863939 /nfs/dbraw/zinc/86/39/39/1051863939.db2.gz PFHBIHAAFRUAPP-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO CC(C)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775569991 1051864735 /nfs/dbraw/zinc/86/47/35/1051864735.db2.gz XTSWASHUFWFHCU-GOSISDBHSA-N 1 0 338.495 4.497 20 10 EICDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000775562576 1051866541 /nfs/dbraw/zinc/86/65/41/1051866541.db2.gz PHGOUXRPUJICRS-OAHLLOKOSA-N 1 0 349.478 4.051 20 10 EICDRO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc(C)[nH+]1 ZINC001176060356 1051898290 /nfs/dbraw/zinc/89/82/90/1051898290.db2.gz VPPOSBZRHZTNTB-UHFFFAOYSA-N 1 0 347.422 4.090 20 10 EICDRO Cc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)ccc1N1CCCCC1 ZINC001194626921 1052180442 /nfs/dbraw/zinc/18/04/42/1052180442.db2.gz UMBGHMOZARHXGW-NRFANRHFSA-N 1 0 330.516 4.232 20 10 EICDRO CCCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1C ZINC001177093033 1052229611 /nfs/dbraw/zinc/22/96/11/1052229611.db2.gz NMMXAMFOCIKMGZ-UHFFFAOYSA-N 1 0 343.467 4.133 20 10 EICDRO Cc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000184835262 1052245163 /nfs/dbraw/zinc/24/51/63/1052245163.db2.gz VQRBNYYPXOAFNR-UHFFFAOYSA-N 1 0 349.540 4.096 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1O ZINC000184857302 1052265891 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10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1O ZINC000185245834 1052549627 /nfs/dbraw/zinc/54/96/27/1052549627.db2.gz TWAJGBFQALPOCR-GJZGRUSLSA-N 1 0 348.487 4.156 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000185245401 1052550247 /nfs/dbraw/zinc/55/02/47/1052550247.db2.gz ZUTQJTIWQTZIDD-IRXDYDNUSA-N 1 0 344.524 4.325 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(C(F)(F)F)c1 ZINC000185309900 1052575815 /nfs/dbraw/zinc/57/58/15/1052575815.db2.gz UZBGZLCXUBVQBT-JTQLQIEISA-N 1 0 343.320 4.410 20 10 EICDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000185318619 1052580060 /nfs/dbraw/zinc/58/00/60/1052580060.db2.gz DMYCJRMQUXZFJW-LBPRGKRZSA-N 1 0 334.460 4.150 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000185447481 1052607365 /nfs/dbraw/zinc/60/73/65/1052607365.db2.gz GLUCMBUGCNUGJD-CVEARBPZSA-N 1 0 342.483 4.181 20 10 EICDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469856 1052611110 /nfs/dbraw/zinc/61/11/10/1052611110.db2.gz LWFQRFOSBXSWAG-CVEARBPZSA-N 1 0 342.458 4.408 20 10 EICDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185559401 1052639307 /nfs/dbraw/zinc/63/93/07/1052639307.db2.gz XCCQYKFAQDHAOD-ZIAGYGMSSA-N 1 0 337.467 4.178 20 10 EICDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185837118 1052778886 /nfs/dbraw/zinc/77/88/86/1052778886.db2.gz DZUDRXPQVUXSMT-TYILLQQXSA-N 1 0 329.440 4.027 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000186034853 1052856752 /nfs/dbraw/zinc/85/67/52/1052856752.db2.gz AMLICBRBGIUYIO-YWZLYKJASA-N 1 0 325.452 4.309 20 10 EICDRO Oc1ccc2ccncc2c1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000764123570 1053032950 /nfs/dbraw/zinc/03/29/50/1053032950.db2.gz FVOLCQMSUMRSEC-UHFFFAOYSA-N 1 0 340.373 4.388 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(Br)o1 ZINC000381010879 1053051080 /nfs/dbraw/zinc/05/10/80/1053051080.db2.gz KBUUPUUYRPQNOP-UHFFFAOYSA-N 1 0 333.229 4.132 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850118848 1053076537 /nfs/dbraw/zinc/07/65/37/1053076537.db2.gz KUNBJZZFJAIVNN-ZDUSSCGKSA-N 1 0 329.440 4.255 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850137360 1053078946 /nfs/dbraw/zinc/07/89/46/1053078946.db2.gz NRYZLLQNXJEZSV-NSHDSACASA-N 1 0 332.444 4.154 20 10 EICDRO COc1cc(C[NH2+]Cc2nc(C)c(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850167568 1053080262 /nfs/dbraw/zinc/08/02/62/1053080262.db2.gz FFCZGXBEOOSMNP-UHFFFAOYSA-N 1 0 334.485 4.061 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3ccccc3c(Cl)n2)c1 ZINC000794563045 1053080201 /nfs/dbraw/zinc/08/02/01/1053080201.db2.gz SSLGIWPDVDRQGP-GFCCVEGCSA-N 1 0 342.826 4.453 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c(F)c1 ZINC000850185482 1053082715 /nfs/dbraw/zinc/08/27/15/1053082715.db2.gz HMFABNDAQKORRM-UHFFFAOYSA-N 1 0 347.430 4.136 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4ccc(C)cc4[nH]3)C2)cc1 ZINC000850330854 1053118141 /nfs/dbraw/zinc/11/81/41/1053118141.db2.gz SQMIVOOSOVWCPG-QGZVFWFLSA-N 1 0 349.478 4.101 20 10 EICDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862758 1053129042 /nfs/dbraw/zinc/12/90/42/1053129042.db2.gz DYUZZHVSFNAZIM-LEWJYISDSA-N 1 0 342.527 4.375 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)C3CCC(F)CC3)CC2)cc1 ZINC000850395999 1053164788 /nfs/dbraw/zinc/16/47/88/1053164788.db2.gz NJEQQRYWXQKDEY-GTPINHCMSA-N 1 0 334.479 4.170 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850422892 1053195902 /nfs/dbraw/zinc/19/59/02/1053195902.db2.gz GULUUJBESHANGA-CQSZACIVSA-N 1 0 331.410 4.470 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cscn1 ZINC000850511474 1053268294 /nfs/dbraw/zinc/26/82/94/1053268294.db2.gz FYAJPHKZGIFUPH-DTWKUNHWSA-N 1 0 327.247 4.023 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850482217 1053252548 /nfs/dbraw/zinc/25/25/48/1053252548.db2.gz MVXDOESSUVPULJ-CHWSQXEVSA-N 1 0 349.272 4.312 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)cc1 ZINC000850489562 1053255320 /nfs/dbraw/zinc/25/53/20/1053255320.db2.gz VGCYXDAPSBGMRR-SJLPKXTDSA-N 1 0 347.462 4.173 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000850511473 1053267197 /nfs/dbraw/zinc/26/71/97/1053267197.db2.gz FYAJPHKZGIFUPH-BDAKNGLRSA-N 1 0 327.247 4.023 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(Br)cc1O ZINC000850511785 1053271055 /nfs/dbraw/zinc/27/10/55/1053271055.db2.gz NDONDHJYNSHCQB-BDAKNGLRSA-N 1 0 327.247 4.023 20 10 EICDRO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000850522563 1053282855 /nfs/dbraw/zinc/28/28/55/1053282855.db2.gz UZGMWXFGTWOYEK-KRWDZBQOSA-N 1 0 342.458 4.130 20 10 EICDRO COc1ccc(-c2cc(C[NH2+][C@H](C)c3ccc(C)cc3O)on2)cc1 ZINC000850524559 1053287029 /nfs/dbraw/zinc/28/70/29/1053287029.db2.gz CGPKUVPPYWPNAS-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1 ZINC000764755709 1053297133 /nfs/dbraw/zinc/29/71/33/1053297133.db2.gz VWSVIRYTTSPOPF-HNAYVOBHSA-N 1 0 331.529 4.158 20 10 EICDRO COCc1csc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000850533236 1053297165 /nfs/dbraw/zinc/29/71/65/1053297165.db2.gz TUPKPXDZECKPLV-ZDUSSCGKSA-N 1 0 331.481 4.330 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1O ZINC000850549128 1053307704 /nfs/dbraw/zinc/30/77/04/1053307704.db2.gz FHCKQCJQZIMLEW-MRXNPFEDSA-N 1 0 333.863 4.288 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000850555146 1053310359 /nfs/dbraw/zinc/31/03/59/1053310359.db2.gz GFAPAORJBGWUMV-PIGZYNQJSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000850566133 1053318953 /nfs/dbraw/zinc/31/89/53/1053318953.db2.gz JVEIGHMCDFGKEO-OAHLLOKOSA-N 1 0 344.886 4.152 20 10 EICDRO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc2ccccc2c1O ZINC000850573790 1053329867 /nfs/dbraw/zinc/32/98/67/1053329867.db2.gz RBTFXYLLAJCGHR-OAHLLOKOSA-N 1 0 340.467 4.022 20 10 EICDRO CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000850584684 1053335718 /nfs/dbraw/zinc/33/57/18/1053335718.db2.gz TWDAAJQCLBRLOW-GOSISDBHSA-N 1 0 336.907 4.208 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1O ZINC000794794786 1053380013 /nfs/dbraw/zinc/38/00/13/1053380013.db2.gz GFPGWZGWBRPVTB-MOPGFXCFSA-N 1 0 330.447 4.183 20 10 EICDRO COc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775650178 1053382536 /nfs/dbraw/zinc/38/25/36/1053382536.db2.gz RAZRIPYEMCJZDM-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1O ZINC000794793389 1053387531 /nfs/dbraw/zinc/38/75/31/1053387531.db2.gz BEEURHIOASLZQU-RDTXWAMCSA-N 1 0 338.451 4.387 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794794384 1053388258 /nfs/dbraw/zinc/38/82/58/1053388258.db2.gz MXHLITCALIKGGI-PBHICJAKSA-N 1 0 327.424 4.274 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000775654887 1053393047 /nfs/dbraw/zinc/39/30/47/1053393047.db2.gz QKAOSCCFCFCPHZ-INIZCTEOSA-N 1 0 336.435 4.262 20 10 EICDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803564 1053394230 /nfs/dbraw/zinc/39/42/30/1053394230.db2.gz ALJIFFYBZYPPII-HXUWFJFHSA-N 1 0 343.467 4.357 20 10 EICDRO COc1ccc(OC)c(C[N@H+](Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775653019 1053396960 /nfs/dbraw/zinc/39/69/60/1053396960.db2.gz ZYOOVVACDWRSNQ-UHFFFAOYSA-N 1 0 347.842 4.227 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1c(Cl)cccc1N1CCCC1 ZINC000775656627 1053398159 /nfs/dbraw/zinc/39/81/59/1053398159.db2.gz XTQADWCXGVJGAF-UHFFFAOYSA-N 1 0 330.859 4.278 20 10 EICDRO CCCC[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775652939 1053399514 /nfs/dbraw/zinc/39/95/14/1053399514.db2.gz WGPSOTUGJNTPDX-UHFFFAOYSA-N 1 0 342.886 4.129 20 10 EICDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423025 1053411101 /nfs/dbraw/zinc/41/11/01/1053411101.db2.gz BTGBCVRMOVOBTP-FPOVZHCZSA-N 1 0 342.527 4.171 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1O ZINC000794807799 1053415848 /nfs/dbraw/zinc/41/58/48/1053415848.db2.gz LSZIZVQMCRHNPB-MSOLQXFVSA-N 1 0 348.437 4.322 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1O ZINC000794815268 1053421976 /nfs/dbraw/zinc/42/19/76/1053421976.db2.gz JPQRSLNPLUXAOW-AEFFLSMTSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C)cc1O ZINC000794811838 1053430426 /nfs/dbraw/zinc/43/04/26/1053430426.db2.gz ZCJWRVCGHUHCCR-LJQANCHMSA-N 1 0 338.451 4.474 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000794811845 1053430450 /nfs/dbraw/zinc/43/04/50/1053430450.db2.gz ZEMZWZRFIMILKK-DOMZBBRYSA-N 1 0 325.412 4.084 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817650 1053431997 /nfs/dbraw/zinc/43/19/97/1053431997.db2.gz UNVMKLBZSKFTIT-SVFBPWRDSA-N 1 0 343.442 4.047 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)C ZINC000765078296 1053438024 /nfs/dbraw/zinc/43/80/24/1053438024.db2.gz HZYZGHYUEGDAER-CYBMUJFWSA-N 1 0 344.421 4.066 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765147432 1053451569 /nfs/dbraw/zinc/45/15/69/1053451569.db2.gz PACAQCCKSDFAEM-DYESRHJHSA-N 1 0 329.532 4.058 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000794836016 1053473945 /nfs/dbraw/zinc/47/39/45/1053473945.db2.gz RIGXNWOJTJYDJT-YLJYHZDGSA-N 1 0 330.516 4.269 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765246807 1053476168 /nfs/dbraw/zinc/47/61/68/1053476168.db2.gz WNQLGITZRDRDOC-KGLIPLIRSA-N 1 0 345.874 4.084 20 10 EICDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000765332147 1053505824 /nfs/dbraw/zinc/50/58/24/1053505824.db2.gz HGGIUOPFAMCMAV-INIZCTEOSA-N 1 0 342.483 4.053 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000765337413 1053509133 /nfs/dbraw/zinc/50/91/33/1053509133.db2.gz PIJZWQCXKOHTKX-MRXNPFEDSA-N 1 0 336.483 4.302 20 10 EICDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000765337778 1053509951 /nfs/dbraw/zinc/50/99/51/1053509951.db2.gz UOIZSSQQKGFHDY-GOSISDBHSA-N 1 0 336.483 4.302 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000765337411 1053510329 /nfs/dbraw/zinc/51/03/29/1053510329.db2.gz PIJZWQCXKOHTKX-INIZCTEOSA-N 1 0 336.483 4.302 20 10 EICDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765362783 1053515723 /nfs/dbraw/zinc/51/57/23/1053515723.db2.gz LESILVUGZUBOIT-HNNXBMFYSA-N 1 0 344.421 4.297 20 10 EICDRO CSc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000851898670 1053530245 /nfs/dbraw/zinc/53/02/45/1053530245.db2.gz XCTGUKPXHZLMIT-INIZCTEOSA-N 1 0 342.508 4.096 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000765442768 1053552604 /nfs/dbraw/zinc/55/26/04/1053552604.db2.gz VAKFNYDCQDBWET-QFBILLFUSA-N 1 0 329.488 4.079 20 10 EICDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775679233 1053555618 /nfs/dbraw/zinc/55/56/18/1053555618.db2.gz RRBDPHVIEFBNCA-UHFFFAOYSA-N 1 0 335.860 4.004 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@H]3CSCCc4ccccc43)ccc21 ZINC000765481727 1053567513 /nfs/dbraw/zinc/56/75/13/1053567513.db2.gz QLLCEZMSYLCDBN-FQEVSTJZSA-N 1 0 338.520 4.189 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](CC)c2cccc(OC)c2OC)c1O ZINC000865758475 1053585170 /nfs/dbraw/zinc/58/51/70/1053585170.db2.gz IGDGDLHHPNGBQB-MRXNPFEDSA-N 1 0 345.439 4.049 20 10 EICDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C(C)(C)C)n1 ZINC000775692257 1053612314 /nfs/dbraw/zinc/61/23/14/1053612314.db2.gz TYVJUNKDEMNIAW-UHFFFAOYSA-N 1 0 341.499 4.368 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866408756 1053716844 /nfs/dbraw/zinc/71/68/44/1053716844.db2.gz DEZKNBKDDUKTJP-SJORKVTESA-N 1 0 337.822 4.349 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccsc2C(F)(F)F)c1O ZINC000866405497 1053717459 /nfs/dbraw/zinc/71/74/59/1053717459.db2.gz BXJHPXHIINYALF-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1C ZINC000866422591 1053724038 /nfs/dbraw/zinc/72/40/38/1053724038.db2.gz PGAZGQQDXXDOHA-INIZCTEOSA-N 1 0 341.451 4.079 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCCCCC2)cc1 ZINC000866474792 1053743460 /nfs/dbraw/zinc/74/34/60/1053743460.db2.gz SVTLVMNGIKJOND-INIZCTEOSA-N 1 0 327.447 4.452 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485079 1053749892 /nfs/dbraw/zinc/74/98/92/1053749892.db2.gz LIMAOUDZMAHATL-ZIAGYGMSSA-N 1 0 339.439 4.401 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1C ZINC000866485773 1053750511 /nfs/dbraw/zinc/75/05/11/1053750511.db2.gz QYEBOLRHNOBWJT-QWHCGFSZSA-N 1 0 326.396 4.268 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921540096 1053753636 /nfs/dbraw/zinc/75/36/36/1053753636.db2.gz JSRUBCPVGFUMGM-UHFFFAOYSA-N 1 0 338.451 4.040 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866508988 1053757288 /nfs/dbraw/zinc/75/72/88/1053757288.db2.gz TXZWNOBIIBLWMD-DYVFJYSZSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866508989 1053758668 /nfs/dbraw/zinc/75/86/68/1053758668.db2.gz TXZWNOBIIBLWMD-GUYCJALGSA-N 1 0 345.439 4.220 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2noc3ccc(F)cc23)cc1 ZINC000866511320 1053762383 /nfs/dbraw/zinc/76/23/83/1053762383.db2.gz OPLLCDUKNMVUAG-CYBMUJFWSA-N 1 0 327.403 4.274 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC000866542096 1053778143 /nfs/dbraw/zinc/77/81/43/1053778143.db2.gz WHHWAIZWYQBNBS-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(C)cc1O ZINC000866569221 1053790422 /nfs/dbraw/zinc/79/04/22/1053790422.db2.gz OMQXTXVAHPICHK-OAHLLOKOSA-N 1 0 335.245 4.099 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)CCO2 ZINC000765621240 1053821708 /nfs/dbraw/zinc/82/17/08/1053821708.db2.gz AVYBZFVQKUYJAZ-SFHVURJKSA-N 1 0 327.424 4.016 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1F ZINC001203457686 1053828880 /nfs/dbraw/zinc/82/88/80/1053828880.db2.gz PEIWHMLYUXPFIR-IBGZPJMESA-N 1 0 334.479 4.253 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4C)CC2)cc1 ZINC000765637708 1053829172 /nfs/dbraw/zinc/82/91/72/1053829172.db2.gz FQUMVXSYGOVLRQ-JOCHJYFZSA-N 1 0 336.479 4.250 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C(C)C)c1 ZINC000765664036 1053835462 /nfs/dbraw/zinc/83/54/62/1053835462.db2.gz YDAUGDSRMRZFRH-NQIIRXRSSA-N 1 0 325.452 4.450 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765683408 1053840870 /nfs/dbraw/zinc/84/08/70/1053840870.db2.gz MNZBMNXYYVCMRU-UWJYYQICSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CCc2ccco2)c1O ZINC000775775397 1053919471 /nfs/dbraw/zinc/91/94/71/1053919471.db2.gz YRMWAMUWWZBYJX-GFCCVEGCSA-N 1 0 338.245 4.167 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3(c4ccccc4)CCC3)CC2)cc1 ZINC000776894754 1054100972 /nfs/dbraw/zinc/10/09/72/1054100972.db2.gz ISQHHZUATNMXEC-UHFFFAOYSA-N 1 0 336.479 4.333 20 10 EICDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)c1C ZINC000775833831 1054111500 /nfs/dbraw/zinc/11/15/00/1054111500.db2.gz MYJSQMSUFHSZKX-AWEZNQCLSA-N 1 0 345.512 4.029 20 10 EICDRO Oc1cccc2c(N3CC=C(c4ccc(Cl)nc4)CC3)cc[nH+]c12 ZINC000795124371 1054113752 /nfs/dbraw/zinc/11/37/52/1054113752.db2.gz NVCPXSXEXAGXQC-UHFFFAOYSA-N 1 0 337.810 4.283 20 10 EICDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775836183 1054118835 /nfs/dbraw/zinc/11/88/35/1054118835.db2.gz KMTGIZZCNNOGOK-MRXNPFEDSA-N 1 0 347.462 4.195 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1C ZINC001198959322 1054314039 /nfs/dbraw/zinc/31/40/39/1054314039.db2.gz NEIRQDDLBAOLBQ-OAQYLSRUSA-N 1 0 340.511 4.046 20 10 EICDRO COc1cc(C[NH2+]CCc2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC001198992189 1054322559 /nfs/dbraw/zinc/32/25/59/1054322559.db2.gz XLRQGYXQWBNETD-UHFFFAOYSA-N 1 0 331.431 4.170 20 10 EICDRO COc1ccc(C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1C ZINC001199002298 1054324884 /nfs/dbraw/zinc/32/48/84/1054324884.db2.gz XAOABBRYWVDCSG-UHFFFAOYSA-N 1 0 327.468 4.470 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OC(C)(C)C)c2)c1O ZINC000872114279 1054393992 /nfs/dbraw/zinc/39/39/92/1054393992.db2.gz XDXFLDDQODTRBZ-CQSZACIVSA-N 1 0 329.440 4.429 20 10 EICDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1O ZINC000872117959 1054398232 /nfs/dbraw/zinc/39/82/32/1054398232.db2.gz XVTRWLYQPOMEAS-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128860 1054404136 /nfs/dbraw/zinc/40/41/36/1054404136.db2.gz ZVHGIKICQNWDRJ-MJVIPROJSA-N 1 0 330.359 4.339 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000872131189 1054406480 /nfs/dbraw/zinc/40/64/80/1054406480.db2.gz XINWHILDBLPXIT-NXEZZACHSA-N 1 0 328.309 4.357 20 10 EICDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2F)C[C@@H](C)O1 ZINC001199413962 1054408678 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Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858329983 1054466844 /nfs/dbraw/zinc/46/68/44/1054466844.db2.gz HWMBXTHFBIGOQU-UHFFFAOYSA-N 1 0 329.749 4.440 20 10 EICDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000124325795 1054472552 /nfs/dbraw/zinc/47/25/52/1054472552.db2.gz NVOIVZRTSUGJAS-GJZGRUSLSA-N 1 0 328.456 4.182 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1C ZINC000873129853 1054490157 /nfs/dbraw/zinc/49/01/57/1054490157.db2.gz ROMOLESORVKIHC-WIYYLYMNSA-N 1 0 340.467 4.189 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873184703 1054503288 /nfs/dbraw/zinc/50/32/88/1054503288.db2.gz GOFZLGXTAYGKJP-LLVKDONJSA-N 1 0 341.352 4.156 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cnc4ccccc4c3)CC2)cc1 ZINC001199971895 1054507844 /nfs/dbraw/zinc/50/78/44/1054507844.db2.gz HDZJTTHIXTYORE-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000858593293 1054528377 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Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201497431 1054820352 /nfs/dbraw/zinc/82/03/52/1054820352.db2.gz GXHYWFKXFMRYSY-UHFFFAOYSA-N 1 0 338.499 4.311 20 10 EICDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cccc(F)c1F ZINC001201541363 1054835731 /nfs/dbraw/zinc/83/57/31/1054835731.db2.gz DUNYJTAULHSOFD-SECBINFHSA-N 1 0 342.183 4.284 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1-n1cccn1 ZINC001137099377 1054851941 /nfs/dbraw/zinc/85/19/41/1054851941.db2.gz LFYYQQJBZBGQCE-UHFFFAOYSA-N 1 0 346.478 4.105 20 10 EICDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001201617932 1054865146 /nfs/dbraw/zinc/86/51/46/1054865146.db2.gz JXULSEGISYOBEK-FQEVSTJZSA-N 1 0 338.499 4.231 20 10 EICDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C/C=C\c1ccccc1 ZINC001201695604 1054879194 /nfs/dbraw/zinc/87/91/94/1054879194.db2.gz ZXPFEHBTQDOFFT-DAXSKMNVSA-N 1 0 336.204 4.097 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)ccc1O ZINC000125947469 1054903845 /nfs/dbraw/zinc/90/38/45/1054903845.db2.gz SXACORXMGFMESG-UHFFFAOYSA-N 1 0 340.467 4.023 20 10 EICDRO Cc1cccc2oc(CC[NH2+]Cc3ccc(N4CCCCC4)cc3)nc21 ZINC000776219412 1054937049 /nfs/dbraw/zinc/93/70/49/1054937049.db2.gz ONFMSFDEXMANAP-UHFFFAOYSA-N 1 0 349.478 4.459 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC001201900472 1054938063 /nfs/dbraw/zinc/93/80/63/1054938063.db2.gz GDEXLNQNWMUMTA-TWGQIWQCSA-N 1 0 336.479 4.103 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1c(F)cccc1Cl ZINC000776221267 1054938657 /nfs/dbraw/zinc/93/86/57/1054938657.db2.gz UMQCCAORRTVSND-VFZGTOFNSA-N 1 0 344.213 4.050 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC001201900469 1054939150 /nfs/dbraw/zinc/93/91/50/1054939150.db2.gz GDEXLNQNWMUMTA-RMKNXTFCSA-N 1 0 336.479 4.103 20 10 EICDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001201930194 1054943550 /nfs/dbraw/zinc/94/35/50/1054943550.db2.gz WDXWZSICYCMBFA-SOLBZPMBSA-N 1 0 345.487 4.499 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2nc3ccccc3nc2C)cc1 ZINC000876943251 1054986268 /nfs/dbraw/zinc/98/62/68/1054986268.db2.gz CMWWEVIJTMEVRU-UHFFFAOYSA-N 1 0 334.467 4.074 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000825939643 1055031293 /nfs/dbraw/zinc/03/12/93/1055031293.db2.gz FAXOCIBWDQCWQM-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000777257624 1055057644 /nfs/dbraw/zinc/05/76/44/1055057644.db2.gz BOBPSVSRUSSABS-YGWPLHOASA-N 1 0 328.500 4.141 20 10 EICDRO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c(O)c1 ZINC000877476024 1055060716 /nfs/dbraw/zinc/06/07/16/1055060716.db2.gz RMUMXPDEAXHITH-UHFFFAOYSA-N 1 0 329.415 4.021 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CC(F)(F)F)cc2)c1 ZINC000877532823 1055074537 /nfs/dbraw/zinc/07/45/37/1055074537.db2.gz IEFWDCWFUWHXIG-LBPRGKRZSA-N 1 0 339.357 4.356 20 10 EICDRO COC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193959 1055079797 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C[C@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccccc1O ZINC000877758218 1055117419 /nfs/dbraw/zinc/11/74/19/1055117419.db2.gz NOZLNLWKWCGRKP-HNNXBMFYSA-N 1 0 338.476 4.485 20 10 EICDRO Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC001202417931 1055163919 /nfs/dbraw/zinc/16/39/19/1055163919.db2.gz PLKWLPCRZNIHDQ-HNNXBMFYSA-N 1 0 333.353 4.206 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000127307377 1055383170 /nfs/dbraw/zinc/38/31/70/1055383170.db2.gz DGRMCPFGWYUIDX-KSSFIOAISA-N 1 0 326.440 4.283 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC(C)C ZINC000186384455 1055430423 /nfs/dbraw/zinc/43/04/23/1055430423.db2.gz QNZUPYGJMRRZTR-VLIAUNLRSA-N 1 0 347.430 4.357 20 10 EICDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000765808753 1055448804 /nfs/dbraw/zinc/44/88/04/1055448804.db2.gz JUFPPLCKLOVTST-GTNSWQLSSA-N 1 0 340.250 4.257 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875241 1056039721 /nfs/dbraw/zinc/03/97/21/1056039721.db2.gz YRDKJZGUSKONEY-GHTZIAJQSA-N 1 0 341.543 4.202 20 10 EICDRO C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)CCC2 ZINC000007976935 1056833688 /nfs/dbraw/zinc/83/36/88/1056833688.db2.gz RYOHGMLJZGTBRP-UHFFFAOYSA-N 1 0 346.268 4.275 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165266 1058525500 /nfs/dbraw/zinc/52/55/00/1058525500.db2.gz JEJQHBXMIRSBRP-UTKZUKDTSA-N 1 0 325.452 4.279 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1C ZINC000742153155 1058533819 /nfs/dbraw/zinc/53/38/19/1058533819.db2.gz OYWVGNZUURFGES-QGZVFWFLSA-N 1 0 325.408 4.075 20 10 EICDRO CC1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000742369408 1058596484 /nfs/dbraw/zinc/59/64/84/1058596484.db2.gz FQLKIGWSBLVFSB-UHFFFAOYSA-N 1 0 338.442 4.425 20 10 EICDRO c1ccc([C@@H](CC2CC2)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000742378632 1058605487 /nfs/dbraw/zinc/60/54/87/1058605487.db2.gz WSHHFAKNVRFNMG-JOCHJYFZSA-N 1 0 336.479 4.154 20 10 EICDRO Cc1cc(C[NH+]2CCC(OCC3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000743405682 1058990122 /nfs/dbraw/zinc/99/01/22/1058990122.db2.gz BUKKRNVXAVCHDW-UHFFFAOYSA-N 1 0 331.500 4.389 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn3ccccc3n2)c(C)n1-c1cccc(C)c1 ZINC000743705985 1059090055 /nfs/dbraw/zinc/09/00/55/1059090055.db2.gz WJSFATKUCPSPLQ-UHFFFAOYSA-N 1 0 344.462 4.340 20 10 EICDRO Cc1ccc(O)c(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000744446829 1059515593 /nfs/dbraw/zinc/51/55/93/1059515593.db2.gz DLDOZMUTJMOXDX-KRWDZBQOSA-N 1 0 340.467 4.033 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1C ZINC000744448841 1059524449 /nfs/dbraw/zinc/52/44/49/1059524449.db2.gz YOHCAETZPWRSTQ-KPZWWZAWSA-N 1 0 337.822 4.008 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766539044 1060514116 /nfs/dbraw/zinc/51/41/16/1060514116.db2.gz UBXOKBULRRVAFX-XYJFISCASA-N 1 0 345.506 4.092 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001169461223 1060830403 /nfs/dbraw/zinc/83/04/03/1060830403.db2.gz DDKGCWHUALAQCN-AWEZNQCLSA-N 1 0 347.300 4.408 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000121351971 1060845869 /nfs/dbraw/zinc/84/58/69/1060845869.db2.gz HKBSQHCEJYOLJN-XYJFISCASA-N 1 0 334.479 4.018 20 10 EICDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(F)cc(C(C)=O)c1O ZINC001169755097 1060944237 /nfs/dbraw/zinc/94/42/37/1060944237.db2.gz SGOGZCAGBBTZCS-UHFFFAOYSA-N 1 0 345.414 4.242 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cc(Br)ccc1O ZINC000038090667 213200595 /nfs/dbraw/zinc/20/05/95/213200595.db2.gz ZLJCIUMCCQYYKN-GFCCVEGCSA-N 1 0 341.274 4.161 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000729681718 1032130833 /nfs/dbraw/zinc/13/08/33/1032130833.db2.gz IRFKSSXCUBJTMG-OAQYLSRUSA-N 1 0 349.522 4.039 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccc(C)s2)c1O ZINC000228674880 1032160744 /nfs/dbraw/zinc/16/07/44/1032160744.db2.gz OTEFLYIAROUOJV-SNVBAGLBSA-N 1 0 325.861 4.145 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000360036204 1032234365 /nfs/dbraw/zinc/23/43/65/1032234365.db2.gz MVJSOBFSKQNXMI-UHFFFAOYSA-N 1 0 335.451 4.478 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000160206403 1018847653 /nfs/dbraw/zinc/84/76/53/1018847653.db2.gz HUQCRTFPDYIIKV-GOSISDBHSA-N 1 0 336.435 4.055 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(N(C)C)cc1 ZINC000154080126 1019352805 /nfs/dbraw/zinc/35/28/05/1019352805.db2.gz MQLDKWMTUGTRHI-NRFANRHFSA-N 1 0 342.483 4.019 20 10 EICDRO COc1cccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)c1O ZINC000237223356 1032852361 /nfs/dbraw/zinc/85/23/61/1032852361.db2.gz JYYIHYDMLAMRGR-UHFFFAOYSA-N 1 0 329.440 4.006 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](CC)c2ccccc2O)cc1 ZINC000155179565 1020322259 /nfs/dbraw/zinc/32/22/59/1020322259.db2.gz LNZCCUXMKOOEFN-SFHVURJKSA-N 1 0 326.440 4.372 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000155335780 1020498364 /nfs/dbraw/zinc/49/83/64/1020498364.db2.gz CNIGKCPZUYYSRA-KBXCAEBGSA-N 1 0 340.423 4.151 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)c1O ZINC000076274358 1021091103 /nfs/dbraw/zinc/09/11/03/1021091103.db2.gz RLNXZWAZILAHIF-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1cc(Br)ccc1F ZINC000083551721 1021486751 /nfs/dbraw/zinc/48/67/51/1021486751.db2.gz AAEPUIKTQVSZTQ-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(O)cc1C ZINC000160517937 1022077822 /nfs/dbraw/zinc/07/78/22/1022077822.db2.gz MSJYEBRWZYDMGZ-UHFFFAOYSA-N 1 0 333.378 4.156 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236564980 1022208447 /nfs/dbraw/zinc/20/84/47/1022208447.db2.gz GIQYKPVBDSHGNR-UHFFFAOYSA-N 1 0 326.621 4.098 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177790662 1022276433 /nfs/dbraw/zinc/27/64/33/1022276433.db2.gz WAEOJTIZWMTGBJ-GJZGRUSLSA-N 1 0 326.440 4.283 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3cc(F)c4ccccc4c3)cc2)CC1 ZINC001167436928 1022620401 /nfs/dbraw/zinc/62/04/01/1022620401.db2.gz HMXGDBIDYAKCJJ-UHFFFAOYSA-N 1 0 349.453 4.343 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c(O)c1OC ZINC000893237713 1022821893 /nfs/dbraw/zinc/82/18/93/1022821893.db2.gz KNSGSYMDRGPSHU-SFHVURJKSA-N 1 0 345.414 4.098 20 10 EICDRO Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)n1 ZINC000363848515 1022850783 /nfs/dbraw/zinc/85/07/83/1022850783.db2.gz FUFHJDCXUQKRAM-JKDOVBDQSA-N 1 0 335.835 4.114 20 10 EICDRO COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000363855217 1022857016 /nfs/dbraw/zinc/85/70/16/1022857016.db2.gz MWGYJAUREMSFCQ-MLGOLLRUSA-N 1 0 331.387 4.023 20 10 EICDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000706884645 1023010303 /nfs/dbraw/zinc/01/03/03/1023010303.db2.gz ALGGCYZKNBLZED-UHFFFAOYSA-N 1 0 334.257 4.222 20 10 EICDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185551044 1023051684 /nfs/dbraw/zinc/05/16/84/1023051684.db2.gz OTAYRUYZHSPZSQ-CABCVRRESA-N 1 0 329.440 4.254 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC3CCC(F)(F)CC3)CC2)cc1 ZINC000376574516 1023064224 /nfs/dbraw/zinc/06/42/24/1023064224.db2.gz ZINISBOZENYEFD-UHFFFAOYSA-N 1 0 338.442 4.079 20 10 EICDRO c1ccc(OCc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)cc1 ZINC000236600285 1023101308 /nfs/dbraw/zinc/10/13/08/1023101308.db2.gz ANMWTKMYFKGREE-UHFFFAOYSA-N 1 0 345.442 4.490 20 10 EICDRO c1csc(SCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166643661 1023114445 /nfs/dbraw/zinc/11/44/45/1023114445.db2.gz JHSOSBRZLJYARC-DOTOQJQBSA-N 1 0 348.537 4.383 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OC(C)C ZINC000186376169 1023123262 /nfs/dbraw/zinc/12/32/62/1023123262.db2.gz UQNMJCARMVHTTR-MGPUTAFESA-N 1 0 329.440 4.218 20 10 EICDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000156284115 1023381215 /nfs/dbraw/zinc/38/12/15/1023381215.db2.gz RMVRFPILSNOZGX-AWEZNQCLSA-N 1 0 348.487 4.137 20 10 EICDRO CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000756533425 1023383100 /nfs/dbraw/zinc/38/31/00/1023383100.db2.gz HJNMXEAJGHVJOV-NSHDSACASA-N 1 0 331.287 4.082 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000188877200 1023386575 /nfs/dbraw/zinc/38/65/75/1023386575.db2.gz HHZJEIAEIVKYBC-GOSISDBHSA-N 1 0 327.424 4.103 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c(O)c1OC ZINC000892785595 1023397239 /nfs/dbraw/zinc/39/72/39/1023397239.db2.gz HEXGWCDTNUGJSX-UHFFFAOYSA-N 1 0 345.414 4.108 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000122432306 1023545773 /nfs/dbraw/zinc/54/57/73/1023545773.db2.gz IELJZKIWSFOZDP-LBPRGKRZSA-N 1 0 336.838 4.405 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108593 1024351092 /nfs/dbraw/zinc/35/10/92/1024351092.db2.gz DQWQGWCIMOVFTQ-CRAIPNDOSA-N 1 0 344.886 4.046 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000796703708 1025018928 /nfs/dbraw/zinc/01/89/28/1025018928.db2.gz UJDBDSJRZPKIQN-SJORKVTESA-N 1 0 345.414 4.495 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1O ZINC000277197663 1025323009 /nfs/dbraw/zinc/32/30/09/1025323009.db2.gz VKFRMXJPGCWTOP-QZTJIDSGSA-N 1 0 337.423 4.108 20 10 EICDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894520408 1026117340 /nfs/dbraw/zinc/11/73/40/1026117340.db2.gz MKNJNJXUSLWUSM-KRWDZBQOSA-N 1 0 345.439 4.001 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450531 1026435287 /nfs/dbraw/zinc/43/52/87/1026435287.db2.gz IGKGIPYWMPKYGB-DTWKUNHWSA-N 1 0 346.374 4.288 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2)c1O ZINC000049514844 1026725180 /nfs/dbraw/zinc/72/51/80/1026725180.db2.gz YBGKDEDFGSTHKT-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000108090624 1026772481 /nfs/dbraw/zinc/77/24/81/1026772481.db2.gz OJMQFHAQASHBSX-HNNXBMFYSA-N 1 0 346.421 4.247 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000327320035 1027858105 /nfs/dbraw/zinc/85/81/05/1027858105.db2.gz UPNFLFVZVBQNTA-JXFKEZNVSA-N 1 0 342.483 4.135 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290065 1028509457 /nfs/dbraw/zinc/50/94/57/1028509457.db2.gz YAIVSKRAVCCCOE-RYUDHWBXSA-N 1 0 335.245 4.270 20 10 EICDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317019 1029338621 /nfs/dbraw/zinc/33/86/21/1029338621.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 1 0 339.483 4.256 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000923 1029655857 /nfs/dbraw/zinc/65/58/57/1029655857.db2.gz NBLIKNZOXXFDCY-CABCVRRESA-N 1 0 328.456 4.182 20 10 EICDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1O ZINC000183590050 1030024220 /nfs/dbraw/zinc/02/42/20/1030024220.db2.gz XTDYOFPTVUKSPL-ZDUSSCGKSA-N 1 0 326.371 4.080 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000163322855 1030121701 /nfs/dbraw/zinc/12/17/01/1030121701.db2.gz GZCHYQALNQBFJB-JZXOWHBKSA-N 1 0 334.479 4.018 20 10 EICDRO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1O ZINC000185878755 1030238963 /nfs/dbraw/zinc/23/89/63/1030238963.db2.gz VMCKVCSDWBQXBU-IFXJQAMLSA-N 1 0 346.430 4.322 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc(Cl)ccc1O ZINC000527961959 1031003617 /nfs/dbraw/zinc/00/36/17/1031003617.db2.gz KBTPZYYQASZDPH-INIZCTEOSA-N 1 0 329.831 4.173 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-c3cncnc3)cc2)c1 ZINC000359872987 1031894274 /nfs/dbraw/zinc/89/42/74/1031894274.db2.gz PWWGQTJCFWYCJU-GJZGRUSLSA-N 1 0 349.434 4.270 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-c3cncnc3)cc2)c1 ZINC000359872992 1031895434 /nfs/dbraw/zinc/89/54/34/1031895434.db2.gz PWWGQTJCFWYCJU-HUUCEWRRSA-N 1 0 349.434 4.270 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000237067952 1034535543 /nfs/dbraw/zinc/53/55/43/1034535543.db2.gz UDQQUJZJCJAMSD-UHFFFAOYSA-N 1 0 329.415 4.489 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)ccc1OC ZINC000280132220 1035172331 /nfs/dbraw/zinc/17/23/31/1035172331.db2.gz PBTMZJOUHRMJNR-KRWDZBQOSA-N 1 0 329.440 4.349 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(C)cc1O ZINC000280221109 1035202287 /nfs/dbraw/zinc/20/22/87/1035202287.db2.gz UTYVQGFQAVXTHT-ROUUACIJSA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(C)cc1O ZINC000280276122 1035226608 /nfs/dbraw/zinc/22/66/08/1035226608.db2.gz YEHWAKJEUSBRQZ-KRWDZBQOSA-N 1 0 327.424 4.103 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000280274415 1035226780 /nfs/dbraw/zinc/22/67/80/1035226780.db2.gz YCBMKSLOZPYNBX-OLZOCXBDSA-N 1 0 348.288 4.322 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(C)cc1O ZINC000280276123 1035227557 /nfs/dbraw/zinc/22/75/57/1035227557.db2.gz YEHWAKJEUSBRQZ-QGZVFWFLSA-N 1 0 327.424 4.103 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]CCc1ccc(Br)s1 ZINC000227439996 1035799223 /nfs/dbraw/zinc/79/92/23/1035799223.db2.gz PCGCPFUAMVPYCI-UHFFFAOYSA-N 1 0 346.677 4.202 20 10 EICDRO CCOc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761183447 1035893796 /nfs/dbraw/zinc/89/37/96/1035893796.db2.gz KFSNEYJTFUYAFZ-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO CCO[C@H](C)c1nc(CN(C)Cc2cc(C)cc(C)c2O)cs1 ZINC000164413779 1036137496 /nfs/dbraw/zinc/13/74/96/1036137496.db2.gz VQSWMBCKXYPKRH-CQSZACIVSA-N 1 0 334.485 4.195 20 10 EICDRO Cc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000129187266 1036858429 /nfs/dbraw/zinc/85/84/29/1036858429.db2.gz YTFKFWMLGUGYGI-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000163590492 1037223672 /nfs/dbraw/zinc/22/36/72/1037223672.db2.gz WIRVFIQOFQXLFK-FQEVSTJZSA-N 1 0 326.509 4.481 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000157246271 1037348810 /nfs/dbraw/zinc/34/88/10/1037348810.db2.gz UWYHDTMVKSKMRE-CVEARBPZSA-N 1 0 340.467 4.326 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273297647 1037402089 /nfs/dbraw/zinc/40/20/89/1037402089.db2.gz 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COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000768464072 1045810990 /nfs/dbraw/zinc/81/09/90/1045810990.db2.gz NDRGMYFZPMIFSF-QGZVFWFLSA-N 1 0 345.414 4.276 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464830 1045811303 /nfs/dbraw/zinc/81/13/03/1045811303.db2.gz BCLSYIHIOJFAIW-CXAGYDPISA-N 1 0 345.414 4.132 20 10 EICDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OCC)c1O ZINC000768470150 1045811363 /nfs/dbraw/zinc/81/13/63/1045811363.db2.gz DJJOBBLPPGQANP-UHFFFAOYSA-N 1 0 329.440 4.212 20 10 EICDRO CC[C@@H](C)Oc1cc(C[N@H+](C)Cc2ccccc2O)ccc1OC ZINC000768873692 1045850988 /nfs/dbraw/zinc/85/09/88/1045850988.db2.gz UKQUYXPIHXBQTN-OAHLLOKOSA-N 1 0 329.440 4.210 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2ccccc2c1O ZINC000248532565 1045868922 /nfs/dbraw/zinc/86/89/22/1045868922.db2.gz YMKAQBWTRMJXHT-UVFQYZLESA-N 1 0 343.492 4.251 20 10 EICDRO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000768999154 1045875254 /nfs/dbraw/zinc/87/52/54/1045875254.db2.gz UJXMZPUCQNPPOD-SIKLNZKXSA-N 1 0 336.479 4.011 20 10 EICDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000769108941 1045880032 /nfs/dbraw/zinc/88/00/32/1045880032.db2.gz OIBZKWGPBPFAOB-UHFFFAOYSA-N 1 0 333.859 4.474 20 10 EICDRO CCC[N@H+](Cc1ccc(-n2ccnc2)cc1C)Cc1ccccc1O ZINC000792230131 1045880419 /nfs/dbraw/zinc/88/04/19/1045880419.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 1 0 335.451 4.299 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000769147180 1045880519 /nfs/dbraw/zinc/88/05/19/1045880519.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 1 0 336.907 4.132 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885809 /nfs/dbraw/zinc/88/58/09/1045885809.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 1 0 336.907 4.132 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1O ZINC000769191568 1045885906 /nfs/dbraw/zinc/88/59/06/1045885906.db2.gz GKUZCZMYCATHCL-UHFFFAOYSA-N 1 0 347.499 4.352 20 10 EICDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000769201354 1045893616 /nfs/dbraw/zinc/89/36/16/1045893616.db2.gz SCBNTQSARLPQCB-JXMROGBWSA-N 1 0 326.396 4.226 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000769209189 1045893759 /nfs/dbraw/zinc/89/37/59/1045893759.db2.gz QPKSNLYDTGJHRP-UNMCSNQZSA-N 1 0 338.495 4.352 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769209186 1045894182 /nfs/dbraw/zinc/89/41/82/1045894182.db2.gz QPKSNLYDTGJHRP-IFMALSPDSA-N 1 0 338.495 4.352 20 10 EICDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769233160 1045896990 /nfs/dbraw/zinc/89/69/90/1045896990.db2.gz OCAIVBYEPIMCEM-IBGZPJMESA-N 1 0 335.451 4.407 20 10 EICDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769233161 1045897903 /nfs/dbraw/zinc/89/79/03/1045897903.db2.gz OCAIVBYEPIMCEM-LJQANCHMSA-N 1 0 335.451 4.407 20 10 EICDRO COc1cccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1O ZINC000237366729 1045933718 /nfs/dbraw/zinc/93/37/18/1045933718.db2.gz XOGSIFGNKYXHPT-UHFFFAOYSA-N 1 0 333.431 4.323 20 10 EICDRO COC(=O)c1ccccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769385315 1045946526 /nfs/dbraw/zinc/94/65/26/1045946526.db2.gz VTDDMCJOFSTVCG-UHFFFAOYSA-N 1 0 339.435 4.124 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1OC ZINC000769384986 1045946786 /nfs/dbraw/zinc/94/67/86/1045946786.db2.gz RXHGAGBEIPXKPY-UHFFFAOYSA-N 1 0 341.451 4.354 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccccc2OCc2ccccc2)c1O ZINC000237389079 1045957413 /nfs/dbraw/zinc/95/74/13/1045957413.db2.gz KFZUTDKZBXYDPX-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO COc1cccc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1O ZINC000769463709 1045983003 /nfs/dbraw/zinc/98/30/03/1045983003.db2.gz SXWSRBLDQSTJDY-RDTXWAMCSA-N 1 0 329.465 4.079 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1O ZINC000769465677 1045983373 /nfs/dbraw/zinc/98/33/73/1045983373.db2.gz IMZJFVDKFCIUTD-PBHICJAKSA-N 1 0 329.415 4.308 20 10 EICDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532017 1046010318 /nfs/dbraw/zinc/01/03/18/1046010318.db2.gz GVLDRURVULNLMI-MRXNPFEDSA-N 1 0 347.842 4.098 20 10 EICDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(O)c1 ZINC000769559702 1046022292 /nfs/dbraw/zinc/02/22/92/1046022292.db2.gz QIXCMLCBAXQHHE-CQSZACIVSA-N 1 0 333.378 4.059 20 10 EICDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000769684224 1046037698 /nfs/dbraw/zinc/03/76/98/1046037698.db2.gz KTXDNQAFHWCZBP-WEYGHZABSA-N 1 0 344.543 4.200 20 10 EICDRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962751 1046110619 /nfs/dbraw/zinc/11/06/19/1046110619.db2.gz QGAVIEGABCSCKU-GJZGRUSLSA-N 1 0 346.496 4.005 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769936806 1046116103 /nfs/dbraw/zinc/11/61/03/1046116103.db2.gz XNZFUJOWHXPWRV-IBGZPJMESA-N 1 0 332.513 4.198 20 10 EICDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793082823 1046136554 /nfs/dbraw/zinc/13/65/54/1046136554.db2.gz YZJKGRVTPGGGAK-SECBINFHSA-N 1 0 328.300 4.202 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000770320652 1046179164 /nfs/dbraw/zinc/17/91/64/1046179164.db2.gz DVLJVJIUOIELQN-UXHICEINSA-N 1 0 342.483 4.214 20 10 EICDRO COCCCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000793233581 1046179897 /nfs/dbraw/zinc/17/98/97/1046179897.db2.gz VTTRCUMPVUTSPT-LJQANCHMSA-N 1 0 329.440 4.048 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770327120 1046180415 /nfs/dbraw/zinc/18/04/15/1046180415.db2.gz LKYYKZPLRPAOFD-DNVCBOLYSA-N 1 0 349.833 4.273 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)c(O)c1 ZINC000793249666 1046191097 /nfs/dbraw/zinc/19/10/97/1046191097.db2.gz HVLVEUQVOOBSKZ-QFIPXVFZSA-N 1 0 348.446 4.374 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC000793267529 1046192951 /nfs/dbraw/zinc/19/29/51/1046192951.db2.gz BTIWQJJSPKICJZ-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(OC)c(C[N@H+](Cc2ccccc2O)C(C)(C)C)c1 ZINC000770508727 1046209487 /nfs/dbraw/zinc/20/94/87/1046209487.db2.gz GEFCESZJOFKCIX-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC000793386320 1046230882 /nfs/dbraw/zinc/23/08/82/1046230882.db2.gz LHCBSTLTDAKPJK-JCNLHEQBSA-N 1 0 331.843 4.480 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000322066908 1046260902 /nfs/dbraw/zinc/26/09/02/1046260902.db2.gz CPHZFHZGYDUMAV-JYJNAYRXSA-N 1 0 348.487 4.187 20 10 EICDRO COc1ncc([C@H](C)[NH2+]CCCSc2nccs2)cc1Cl ZINC000793538303 1046275252 /nfs/dbraw/zinc/27/52/52/1046275252.db2.gz BLFKUBYHCCZJNT-JTQLQIEISA-N 1 0 343.905 4.033 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(Cl)ccc1O ZINC000793567958 1046295819 /nfs/dbraw/zinc/29/58/19/1046295819.db2.gz MVNMGMDFHMBSJF-CYBMUJFWSA-N 1 0 342.773 4.283 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1O ZINC000793576090 1046298301 /nfs/dbraw/zinc/29/83/01/1046298301.db2.gz XNTXPDRMOAFZKJ-INIZCTEOSA-N 1 0 329.831 4.205 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)c(O)c(C(C)(C)C)c1 ZINC000793796831 1046334442 /nfs/dbraw/zinc/33/44/42/1046334442.db2.gz NICMMDXRWZHCEF-CQSZACIVSA-N 1 0 337.529 4.273 20 10 EICDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000916836480 1046376873 /nfs/dbraw/zinc/37/68/73/1046376873.db2.gz JFQXRUALGHUPLQ-XLMAVXFVSA-N 1 0 334.479 4.108 20 10 EICDRO Cc1cc(CC[NH2+]Cc2cnc3ccccn23)c(C)n1-c1ccccc1 ZINC000917393701 1046861161 /nfs/dbraw/zinc/86/11/61/1046861161.db2.gz JJRXRLQMQXUIPW-UHFFFAOYSA-N 1 0 344.462 4.074 20 10 EICDRO CO[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000786823888 1046876352 /nfs/dbraw/zinc/87/63/52/1046876352.db2.gz PKCHQLPNRFFBCZ-KRWDZBQOSA-N 1 0 339.357 4.116 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc(Cl)cc1 ZINC000786853463 1046876519 /nfs/dbraw/zinc/87/65/19/1046876519.db2.gz BTHNCXOAZMPWLP-GOSISDBHSA-N 1 0 332.875 4.192 20 10 EICDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)C(F)(F)F ZINC000786953870 1046883878 /nfs/dbraw/zinc/88/38/78/1046883878.db2.gz NRXFXMZRPOBEDP-XHDPSFHLSA-N 1 0 327.346 4.163 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(Cl)ccc1O ZINC000787023559 1046892206 /nfs/dbraw/zinc/89/22/06/1046892206.db2.gz CTDQFQJJTUIGRZ-XXFAHNHDSA-N 1 0 344.213 4.222 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000917474209 1046897891 /nfs/dbraw/zinc/89/78/91/1046897891.db2.gz IRJAXXZQGLMYFB-SFHVURJKSA-N 1 0 336.410 4.287 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154425571 1046935033 /nfs/dbraw/zinc/93/50/33/1046935033.db2.gz COIKCAIRYUNLPJ-IFXJQAMLSA-N 1 0 348.487 4.262 20 10 EICDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787327640 1046998749 /nfs/dbraw/zinc/99/87/49/1046998749.db2.gz JXZRJLZKVIJMSR-HNNXBMFYSA-N 1 0 344.430 4.079 20 10 EICDRO CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172537 1047157041 /nfs/dbraw/zinc/15/70/41/1047157041.db2.gz NYKKYFQSNUEGFR-LEWJYISDSA-N 1 0 343.490 4.235 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806140320 1047166410 /nfs/dbraw/zinc/16/64/10/1047166410.db2.gz WEAHRZSSEFVKMJ-INIZCTEOSA-N 1 0 347.865 4.497 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148155 1047173424 /nfs/dbraw/zinc/17/34/24/1047173424.db2.gz CVUGZYVMBIUOPE-CRAIPNDOSA-N 1 0 338.923 4.454 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000788557872 1047222017 /nfs/dbraw/zinc/22/20/17/1047222017.db2.gz QVVGWUUGWBFILS-YJBOKZPZSA-N 1 0 330.447 4.102 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)c1ccco1 ZINC000788569317 1047234106 /nfs/dbraw/zinc/23/41/06/1047234106.db2.gz FSCSSPKYDRIATG-IRXDYDNUSA-N 1 0 330.472 4.336 20 10 EICDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788614668 1047249622 /nfs/dbraw/zinc/24/96/22/1047249622.db2.gz UEMOKTJLVZVLJO-HOTGVXAUSA-N 1 0 329.440 4.136 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000788619102 1047250021 /nfs/dbraw/zinc/25/00/21/1047250021.db2.gz DHZWXPZCVBVAGT-OALUTQOASA-N 1 0 337.511 4.320 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000788684343 1047260356 /nfs/dbraw/zinc/26/03/56/1047260356.db2.gz CAZGNJKLFAEDHR-YVEFUNNKSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000788684338 1047260906 /nfs/dbraw/zinc/26/09/06/1047260906.db2.gz CAZGNJKLFAEDHR-PXAZEXFGSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000788669338 1047268686 /nfs/dbraw/zinc/26/86/86/1047268686.db2.gz ZGMMVEZADCZJHX-LRDDRELGSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000788751269 1047285925 /nfs/dbraw/zinc/28/59/25/1047285925.db2.gz RERUEWBIRFHZCO-KUHUBIRLSA-N 1 0 333.859 4.221 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1 ZINC000788794826 1047304383 /nfs/dbraw/zinc/30/43/83/1047304383.db2.gz JKPJZYATAXLPBH-YVEFUNNKSA-N 1 0 337.822 4.186 20 10 EICDRO C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788802660 1047309125 /nfs/dbraw/zinc/30/91/25/1047309125.db2.gz DMMUUMBJLZDZHH-HSBZDZAISA-N 1 0 342.405 4.079 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1 ZINC000788776774 1047311831 /nfs/dbraw/zinc/31/18/31/1047311831.db2.gz NCLZEBVHCKKLQQ-SPEDKVCISA-N 1 0 341.495 4.289 20 10 EICDRO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000788981713 1047350388 /nfs/dbraw/zinc/35/03/88/1047350388.db2.gz USJKGUJITYXUEQ-GFCCVEGCSA-N 1 0 327.380 4.006 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000918197111 1047367507 /nfs/dbraw/zinc/36/75/07/1047367507.db2.gz HPSFWBXWSLGCPO-IBGZPJMESA-N 1 0 332.875 4.009 20 10 EICDRO CCCN(Cc1cc2cc(Cl)cnc2o1)c1ccc(C[NH3+])cc1 ZINC000824291831 1047850696 /nfs/dbraw/zinc/85/06/96/1047850696.db2.gz IANZECOYILBQNY-UHFFFAOYSA-N 1 0 329.831 4.357 20 10 EICDRO CC(F)(F)CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824477918 1047872551 /nfs/dbraw/zinc/87/25/51/1047872551.db2.gz ZZJTXOQWARXZOZ-UHFFFAOYSA-N 1 0 341.402 4.110 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696074 1047904299 /nfs/dbraw/zinc/90/42/99/1047904299.db2.gz HJFIINGNNCTGIW-MISYRCLQSA-N 1 0 325.452 4.061 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808448320 1047909942 /nfs/dbraw/zinc/90/99/42/1047909942.db2.gz BFGVEYLXORXJJK-FCHUYYIVSA-N 1 0 333.431 4.265 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715879 1047910665 /nfs/dbraw/zinc/91/06/65/1047910665.db2.gz QBJURSJQIXJLQS-KCZVDYSFSA-N 1 0 337.463 4.185 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1 ZINC000814288896 1047937940 /nfs/dbraw/zinc/93/79/40/1047937940.db2.gz GLPIXFGITMPWOX-UHFFFAOYSA-N 1 0 339.464 4.182 20 10 EICDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1C ZINC000824820435 1047955737 /nfs/dbraw/zinc/95/57/37/1047955737.db2.gz FSIJACZBIXBFSZ-UZLBHIALSA-N 1 0 344.524 4.241 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1O ZINC000808683869 1048036072 /nfs/dbraw/zinc/03/60/72/1048036072.db2.gz KQALAFYAMAYBNM-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1O ZINC000808684963 1048036408 /nfs/dbraw/zinc/03/64/08/1048036408.db2.gz QFHRMGFOCMGKBQ-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1O ZINC000808694365 1048041547 /nfs/dbraw/zinc/04/15/47/1048041547.db2.gz FAFBSOHOHHDCLT-BDJLRTHQSA-N 1 0 331.847 4.181 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000808673377 1048045762 /nfs/dbraw/zinc/04/57/62/1048045762.db2.gz OBHVEICSYSZBAN-MEDUHNTESA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000825179522 1048046587 /nfs/dbraw/zinc/04/65/87/1048046587.db2.gz XNUJPIUVNDQUEL-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703865 1048049952 /nfs/dbraw/zinc/04/99/52/1048049952.db2.gz YPGHTUCPEAWZAV-UGSOOPFHSA-N 1 0 349.858 4.137 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000808706642 1048052024 /nfs/dbraw/zinc/05/20/24/1048052024.db2.gz PYFPFUDNDDQSTI-DXCKQFNASA-N 1 0 341.904 4.059 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000808709179 1048055809 /nfs/dbraw/zinc/05/58/09/1048055809.db2.gz VNHJWTSJROCXHQ-KZULUSFZSA-N 1 0 337.822 4.051 20 10 EICDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808709843 1048056841 /nfs/dbraw/zinc/05/68/41/1048056841.db2.gz ZYXIREFGMJARNB-LBPRGKRZSA-N 1 0 335.879 4.063 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1O ZINC000808716126 1048063010 /nfs/dbraw/zinc/06/30/10/1048063010.db2.gz JQRKLGLZSKFEFO-LBPRGKRZSA-N 1 0 334.803 4.421 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1O ZINC000808699271 1048080323 /nfs/dbraw/zinc/08/03/23/1048080323.db2.gz COGXZZMBFVPWMO-GFCCVEGCSA-N 1 0 334.803 4.156 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808732306 1048094120 /nfs/dbraw/zinc/09/41/20/1048094120.db2.gz IMSBPWVEFBBJDI-IFXJQAMLSA-N 1 0 332.875 4.444 20 10 EICDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825510308 1048107636 /nfs/dbraw/zinc/10/76/36/1048107636.db2.gz ZYIFQARBCIDNJZ-WBMJQRKESA-N 1 0 347.256 4.133 20 10 EICDRO C[NH+](C)CCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 ZINC000814771869 1048165784 /nfs/dbraw/zinc/16/57/84/1048165784.db2.gz HNCLXJDRXRHSQK-NTEUORMPSA-N 1 0 348.518 4.166 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000815091284 1048313907 /nfs/dbraw/zinc/31/39/07/1048313907.db2.gz OSFCAZPIAYGQCT-JOCHJYFZSA-N 1 0 337.511 4.069 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000815091287 1048314733 /nfs/dbraw/zinc/31/47/33/1048314733.db2.gz OSFCAZPIAYGQCT-QFIPXVFZSA-N 1 0 337.511 4.069 20 10 EICDRO Cc1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)ccc1N(C)C ZINC000815069728 1048319687 /nfs/dbraw/zinc/31/96/87/1048319687.db2.gz KREVQGQYASMIOQ-UHFFFAOYSA-N 1 0 348.494 4.317 20 10 EICDRO CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCCO1 ZINC000919947998 1048332419 /nfs/dbraw/zinc/33/24/19/1048332419.db2.gz QMNYLIDZCHXGCJ-CQSZACIVSA-N 1 0 329.440 4.018 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000815119289 1048336133 /nfs/dbraw/zinc/33/61/33/1048336133.db2.gz SQBKIVRIDDATIQ-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000919954921 1048340030 /nfs/dbraw/zinc/34/00/30/1048340030.db2.gz UIKKIXYFCPGUIF-QGZVFWFLSA-N 1 0 326.440 4.127 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000815106266 1048349393 /nfs/dbraw/zinc/34/93/93/1048349393.db2.gz RMDLKFWGYOBVRN-NJDAHSKKSA-N 1 0 330.516 4.048 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000809700116 1048464602 /nfs/dbraw/zinc/46/46/02/1048464602.db2.gz XVHORLSDDCIBNJ-HHXXYDBFSA-N 1 0 343.854 4.050 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000809699833 1048465818 /nfs/dbraw/zinc/46/58/18/1048465818.db2.gz XNNHYNRSAGJGPM-QFIPXVFZSA-N 1 0 333.431 4.128 20 10 EICDRO COC(=O)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000809730678 1048482251 /nfs/dbraw/zinc/48/22/51/1048482251.db2.gz ZEGUFGQLMDJCSH-UHFFFAOYSA-N 1 0 347.414 4.136 20 10 EICDRO CC(C)SCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809721991 1048498684 /nfs/dbraw/zinc/49/86/84/1048498684.db2.gz JONOIEASFZYCNZ-UHFFFAOYSA-N 1 0 331.481 4.202 20 10 EICDRO COc1cccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c1O ZINC000809739429 1048510739 /nfs/dbraw/zinc/51/07/39/1048510739.db2.gz KKIAAPLPUNBBSD-UHFFFAOYSA-N 1 0 340.448 4.123 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)s2)c1O ZINC000809739968 1048511722 /nfs/dbraw/zinc/51/17/22/1048511722.db2.gz JAKPFRYKXYYLAH-UHFFFAOYSA-N 1 0 325.433 4.419 20 10 EICDRO COc1ccccc1OCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815575764 1048517777 /nfs/dbraw/zinc/51/77/77/1048517777.db2.gz ZLPFBVZCYVWDSS-MRXNPFEDSA-N 1 0 329.440 4.137 20 10 EICDRO C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815578990 1048518012 /nfs/dbraw/zinc/51/80/12/1048518012.db2.gz BZHZARVAUQJGCZ-TZIWHRDSSA-N 1 0 325.452 4.082 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000815581613 1048521055 /nfs/dbraw/zinc/52/10/55/1048521055.db2.gz LAZRYUANLFHFCW-UZLBHIALSA-N 1 0 343.467 4.180 20 10 EICDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815585112 1048523388 /nfs/dbraw/zinc/52/33/88/1048523388.db2.gz YNLIBOOFIYUZRV-HOTGVXAUSA-N 1 0 329.440 4.136 20 10 EICDRO COc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1C ZINC000809763921 1048523512 /nfs/dbraw/zinc/52/35/12/1048523512.db2.gz SQTIIOORHDJQSI-IBGZPJMESA-N 1 0 341.451 4.176 20 10 EICDRO Cc1cc(C)c([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)c(O)c1 ZINC000815610894 1048539863 /nfs/dbraw/zinc/53/98/63/1048539863.db2.gz XTSCDXKPNSKXIX-INIZCTEOSA-N 1 0 328.456 4.123 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000815622298 1048548908 /nfs/dbraw/zinc/54/89/08/1048548908.db2.gz RDAPQYFAANRENR-IEBWSBKVSA-N 1 0 327.493 4.409 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815627483 1048551231 /nfs/dbraw/zinc/55/12/31/1048551231.db2.gz BWULJVCHTVOYAM-IAGOWNOFSA-N 1 0 342.458 4.325 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)c1ccccc1O ZINC000815660427 1048561829 /nfs/dbraw/zinc/56/18/29/1048561829.db2.gz ZARBVQJKIMXGNP-RBUKOAKNSA-N 1 0 344.524 4.458 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000815636120 1048566304 /nfs/dbraw/zinc/56/63/04/1048566304.db2.gz PGINBZSHUYWCFO-GJZGRUSLSA-N 1 0 340.423 4.151 20 10 EICDRO COCC1(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC1 ZINC000815642874 1048568265 /nfs/dbraw/zinc/56/82/65/1048568265.db2.gz NSYGZVIJDGQVPM-LBPRGKRZSA-N 1 0 342.277 4.012 20 10 EICDRO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(N(C)C)cc1 ZINC000815645733 1048570277 /nfs/dbraw/zinc/57/02/77/1048570277.db2.gz NZCUTMZZGJEJKM-ZDUSSCGKSA-N 1 0 337.389 4.060 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2C(F)(F)F)cc1 ZINC001144391912 1048625719 /nfs/dbraw/zinc/62/57/19/1048625719.db2.gz INBQWCUNCGIHAX-UHFFFAOYSA-N 1 0 338.373 4.109 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000810146135 1048648563 /nfs/dbraw/zinc/64/85/63/1048648563.db2.gz MFIYSDKLKAXPCV-UHFFFAOYSA-N 1 0 328.403 4.431 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(Cl)c1 ZINC000810215166 1048682222 /nfs/dbraw/zinc/68/22/22/1048682222.db2.gz SGGXLRYLDHCHFP-IBGZPJMESA-N 1 0 344.886 4.200 20 10 EICDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1C ZINC000920485002 1048683732 /nfs/dbraw/zinc/68/37/32/1048683732.db2.gz NFXKMMNGXJSGKL-QGZVFWFLSA-N 1 0 325.408 4.075 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(Cl)c1 ZINC000810215167 1048684686 /nfs/dbraw/zinc/68/46/86/1048684686.db2.gz SGGXLRYLDHCHFP-LJQANCHMSA-N 1 0 344.886 4.200 20 10 EICDRO CCc1cc(C[NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)on1 ZINC000810219819 1048687784 /nfs/dbraw/zinc/68/77/84/1048687784.db2.gz NLHPJPMIODGKBW-AWEZNQCLSA-N 1 0 328.334 4.202 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810220040 1048688335 /nfs/dbraw/zinc/68/83/35/1048688335.db2.gz ZTWOCZLNFGVFFE-JKSUJKDBSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810226376 1048693724 /nfs/dbraw/zinc/69/37/24/1048693724.db2.gz FDHXEESWFNAKEQ-BXUZGUMPSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810228180 1048696300 /nfs/dbraw/zinc/69/63/00/1048696300.db2.gz QZCDYVNWERACOA-CQSZACIVSA-N 1 0 331.378 4.004 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209956 1048705699 /nfs/dbraw/zinc/70/56/99/1048705699.db2.gz XPDNPWGNEHAHCL-YCPHGPKFSA-N 1 0 342.405 4.079 20 10 EICDRO CC[C@H]([NH2+]CCCOC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810240956 1048722457 /nfs/dbraw/zinc/72/24/57/1048722457.db2.gz JLVWZKCOJHBYNV-NSHDSACASA-N 1 0 327.293 4.081 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)OCCc3sccc32)c2c1c(F)ccc2O ZINC000810252790 1048729322 /nfs/dbraw/zinc/72/93/22/1048729322.db2.gz JGBQVMCONUEACJ-LCCAYYTGSA-N 1 0 347.455 4.219 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000845971063 1048772506 /nfs/dbraw/zinc/77/25/06/1048772506.db2.gz GYIUCXIFENACQP-ZMSDIMECSA-N 1 0 326.440 4.173 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000845971027 1048773519 /nfs/dbraw/zinc/77/35/19/1048773519.db2.gz GOZGMJZTKCOOIL-RNQWEJQRSA-N 1 0 342.395 4.063 20 10 EICDRO CCCn1c2ccccc2nc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846057793 1048793705 /nfs/dbraw/zinc/79/37/05/1048793705.db2.gz JOOPGPFAZGXYBG-UHFFFAOYSA-N 1 0 329.831 4.095 20 10 EICDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846055587 1048808160 /nfs/dbraw/zinc/80/81/60/1048808160.db2.gz NIXGYCJIODIQMN-ZDUSSCGKSA-N 1 0 346.858 4.115 20 10 EICDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482564 1048812185 /nfs/dbraw/zinc/81/21/85/1048812185.db2.gz KOWUQDSPZQZMHN-UHFFFAOYSA-N 1 0 345.805 4.002 20 10 EICDRO CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1cccc(F)c1 ZINC000816528554 1048824129 /nfs/dbraw/zinc/82/41/29/1048824129.db2.gz HUYPQMBSWYQHIV-HXUWFJFHSA-N 1 0 338.426 4.077 20 10 EICDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816516010 1048824289 /nfs/dbraw/zinc/82/42/89/1048824289.db2.gz SCCVUTAJUPMCPK-FQEVSTJZSA-N 1 0 335.447 4.319 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)c2ccccc2Cl)c1O ZINC000846154445 1048824599 /nfs/dbraw/zinc/82/45/99/1048824599.db2.gz QTOMEYVGYUBZKU-YVEFUNNKSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1O ZINC000846152614 1048824684 /nfs/dbraw/zinc/82/46/84/1048824684.db2.gz AWTVFYKXQRFMKE-XEKQOVJPSA-N 1 0 349.858 4.481 20 10 EICDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816531018 1048825817 /nfs/dbraw/zinc/82/58/17/1048825817.db2.gz DDTGHFPWTHCUCB-UHFFFAOYSA-N 1 0 348.446 4.430 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1O ZINC000846158196 1048826259 /nfs/dbraw/zinc/82/62/59/1048826259.db2.gz UQFVVSWKRJTDDB-FRQCXROJSA-N 1 0 341.451 4.219 20 10 EICDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc3ccccc3c2O)N(C)C)cc1 ZINC000816543586 1048826808 /nfs/dbraw/zinc/82/68/08/1048826808.db2.gz GZBXXKLZGPNNFF-OAQYLSRUSA-N 1 0 334.463 4.246 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164951 1048826898 /nfs/dbraw/zinc/82/68/98/1048826898.db2.gz JJGTUBATYHZVRD-WBMJQRKESA-N 1 0 335.831 4.093 20 10 EICDRO CCN(CC)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccco1 ZINC000816543663 1048827149 /nfs/dbraw/zinc/82/71/49/1048827149.db2.gz JNZJDOKERKCZDJ-LJQANCHMSA-N 1 0 338.451 4.311 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c(C)c1 ZINC000846166709 1048827513 /nfs/dbraw/zinc/82/75/13/1048827513.db2.gz NFUSCRXJJRYIHM-HNNXBMFYSA-N 1 0 329.440 4.349 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)c1O ZINC000846167610 1048828130 /nfs/dbraw/zinc/82/81/30/1048828130.db2.gz LPDKYMONHCSWIY-SECBINFHSA-N 1 0 327.758 4.183 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000846169083 1048828212 /nfs/dbraw/zinc/82/82/12/1048828212.db2.gz FSZMPSKSRLXLQJ-PIGZYNQJSA-N 1 0 333.378 4.407 20 10 EICDRO CCOc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccc1OC ZINC000816550093 1048828753 /nfs/dbraw/zinc/82/87/53/1048828753.db2.gz IETUNMFTIACKHI-UHFFFAOYSA-N 1 0 337.419 4.243 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCOCc2ccccc2)c1O ZINC000846173360 1048829197 /nfs/dbraw/zinc/82/91/97/1048829197.db2.gz RFZDTRQVMINUBA-JKSUJKDBSA-N 1 0 329.440 4.047 20 10 EICDRO C[NH+](C)CCOc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816525178 1048829523 /nfs/dbraw/zinc/82/95/23/1048829523.db2.gz IJSSWUAUGSXWAA-UHFFFAOYSA-N 1 0 336.435 4.098 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)c1O ZINC000846139019 1048830235 /nfs/dbraw/zinc/83/02/35/1048830235.db2.gz ZPZHQFSAIWWPPC-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846141816 1048830468 /nfs/dbraw/zinc/83/04/68/1048830468.db2.gz UIXFKHSPQCMOCB-OAHLLOKOSA-N 1 0 328.456 4.098 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1O ZINC000846143672 1048831945 /nfs/dbraw/zinc/83/19/45/1048831945.db2.gz FPJJSYJMTMRCJX-GOEBONIOSA-N 1 0 333.428 4.058 20 10 EICDRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816554687 1048834133 /nfs/dbraw/zinc/83/41/33/1048834133.db2.gz GSEOCWPEXASNIA-OAHLLOKOSA-N 1 0 337.419 4.111 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)c1cc(Cl)ccc1O ZINC000846183462 1048836612 /nfs/dbraw/zinc/83/66/12/1048836612.db2.gz OKYDGAFPVJYBJE-SDDDUWNISA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185081 1048837054 /nfs/dbraw/zinc/83/70/54/1048837054.db2.gz YMKQLMBMMOKZGL-PNHOKKKMSA-N 1 0 330.447 4.055 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3ccccc3c1O)CCO2 ZINC000816571186 1048839265 /nfs/dbraw/zinc/83/92/65/1048839265.db2.gz VHSKXSYVKHATTE-IBGZPJMESA-N 1 0 335.403 4.167 20 10 EICDRO Cc1cnccc1OC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816593601 1048840084 /nfs/dbraw/zinc/84/00/84/1048840084.db2.gz XRJSOKHRCGRZAZ-UHFFFAOYSA-N 1 0 348.446 4.292 20 10 EICDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)c2cc(F)ccc2O1 ZINC000846201386 1048840996 /nfs/dbraw/zinc/84/09/96/1048840996.db2.gz LUEHQJHJWJNQED-HOTGVXAUSA-N 1 0 327.399 4.411 20 10 EICDRO OCC1([C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccccc2)CCC1 ZINC000816631056 1048844754 /nfs/dbraw/zinc/84/47/54/1048844754.db2.gz FDFZCBCAASFEOD-SFHVURJKSA-N 1 0 331.843 4.039 20 10 EICDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)OCCc2sccc21 ZINC000816614721 1048845321 /nfs/dbraw/zinc/84/53/21/1048845321.db2.gz DJIMBTWKXJBSBI-FQEVSTJZSA-N 1 0 339.460 4.185 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N2CCCCCC2)cc1 ZINC000772954165 1048906504 /nfs/dbraw/zinc/90/65/04/1048906504.db2.gz WVYGHSFPAQXLFR-ZWKOTPCHSA-N 1 0 326.488 4.003 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cc(C)n1 ZINC000817411938 1048963417 /nfs/dbraw/zinc/96/34/17/1048963417.db2.gz ZQCAYKZWZWMTHP-UHFFFAOYSA-N 1 0 337.389 4.073 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCO1 ZINC000817587590 1049017976 /nfs/dbraw/zinc/01/79/76/1049017976.db2.gz ZDDPBWNUNYLMDY-KBAYOESNSA-N 1 0 334.479 4.424 20 10 EICDRO CC1CCN(c2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901325 1049056367 /nfs/dbraw/zinc/05/63/67/1049056367.db2.gz BTHIOVYBVFMYIE-VXKWHMMOSA-N 1 0 335.495 4.157 20 10 EICDRO Cc1c2ccccc2oc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938598 1049060830 /nfs/dbraw/zinc/06/08/30/1049060830.db2.gz ODJKGUVOGQHGJF-BEFAXECRSA-N 1 0 337.467 4.158 20 10 EICDRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817956316 1049065726 /nfs/dbraw/zinc/06/57/26/1049065726.db2.gz WIRGKPCKHJLGQN-QUCCMNQESA-N 1 0 342.458 4.275 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000817955809 1049066666 /nfs/dbraw/zinc/06/66/66/1049066666.db2.gz IFUYVYPGZWBGFJ-UONOGXRCSA-N 1 0 325.481 4.203 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000817955810 1049066766 /nfs/dbraw/zinc/06/67/66/1049066766.db2.gz IFUYVYPGZWBGFJ-ZIAGYGMSSA-N 1 0 325.481 4.203 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000817975199 1049075188 /nfs/dbraw/zinc/07/51/88/1049075188.db2.gz JZODSMXSAIVMSA-SUMWQHHRSA-N 1 0 326.440 4.236 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984817 1049078406 /nfs/dbraw/zinc/07/84/06/1049078406.db2.gz ANNMXHGZXNTRDA-MNOVXSKESA-N 1 0 329.271 4.024 20 10 EICDRO CSc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000811490144 1049084353 /nfs/dbraw/zinc/08/43/53/1049084353.db2.gz MSMXOVMNFYYAAS-UHFFFAOYSA-N 1 0 336.526 4.047 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(F)cc3F)C2)cc1 ZINC000818116035 1049090539 /nfs/dbraw/zinc/09/05/39/1049090539.db2.gz FZIJHBJNSAVIKJ-HUUCEWRRSA-N 1 0 346.421 4.151 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518413 1049101888 /nfs/dbraw/zinc/10/18/88/1049101888.db2.gz JPAHZSBVCAAWGC-SFTDATJTSA-N 1 0 340.511 4.210 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)C2)cc1 ZINC000818220025 1049112151 /nfs/dbraw/zinc/11/21/51/1049112151.db2.gz HSDICWTZWSVITB-QINHECLXSA-N 1 0 340.467 4.028 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818220617 1049113801 /nfs/dbraw/zinc/11/38/01/1049113801.db2.gz HNMFBLBNWRAVCO-IRXDYDNUSA-N 1 0 342.458 4.054 20 10 EICDRO CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000818342924 1049135527 /nfs/dbraw/zinc/13/55/27/1049135527.db2.gz WMVBEKGWUGPRHV-DYESRHJHSA-N 1 0 339.483 4.048 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3CCCF)C2)cc1 ZINC000818343140 1049136505 /nfs/dbraw/zinc/13/65/05/1049136505.db2.gz YRAGJAFRUKFPNE-HLIPFELVSA-N 1 0 334.479 4.030 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)CCCC3 ZINC000129046742 1049371985 /nfs/dbraw/zinc/37/19/85/1049371985.db2.gz ROFCIBONRZHQNN-RDTXWAMCSA-N 1 0 341.451 4.018 20 10 EICDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N(C)C)cc1 ZINC000773041628 1049550083 /nfs/dbraw/zinc/55/00/83/1049550083.db2.gz RWBPPXPMVPOBHE-LBPRGKRZSA-N 1 0 333.819 4.165 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000812735608 1049554861 /nfs/dbraw/zinc/55/48/61/1049554861.db2.gz DMINRRXTFWDTKC-HZPDHXFCSA-N 1 0 328.431 4.017 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000812735721 1049555236 /nfs/dbraw/zinc/55/52/36/1049555236.db2.gz FQZBKFNZVDFRMB-QFBILLFUSA-N 1 0 342.458 4.407 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(N(C)C)cc1 ZINC000773133965 1049596482 /nfs/dbraw/zinc/59/64/82/1049596482.db2.gz IFTOOCNNLWSODR-BSDSXHPESA-N 1 0 336.570 4.173 20 10 EICDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773152154 1049613723 /nfs/dbraw/zinc/61/37/23/1049613723.db2.gz QPDARNGZZDRODL-ZLPCBKJTSA-N 1 0 346.515 4.304 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1ccco1)c1cc(Br)ccc1O ZINC000036993967 1049653927 /nfs/dbraw/zinc/65/39/27/1049653927.db2.gz PBYPNKWCROGHHQ-ABAIWWIYSA-N 1 0 338.245 4.420 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171431893 1049670738 /nfs/dbraw/zinc/67/07/38/1049670738.db2.gz AQRFUZGRDKWMGC-HXUWFJFHSA-N 1 0 338.470 4.415 20 10 EICDRO Cc1cc(C)c(O)c(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773251617 1049671856 /nfs/dbraw/zinc/67/18/56/1049671856.db2.gz JVBWAQWTBTZCDL-UHFFFAOYSA-N 1 0 328.843 4.347 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000813331420 1049753431 /nfs/dbraw/zinc/75/34/31/1049753431.db2.gz ONYHGEWJAUAYES-AWEZNQCLSA-N 1 0 327.424 4.040 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822530341 1049767870 /nfs/dbraw/zinc/76/78/70/1049767870.db2.gz YDKFKAKVHXBDPP-GOSISDBHSA-N 1 0 335.875 4.135 20 10 EICDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000237860628 1049789406 /nfs/dbraw/zinc/78/94/06/1049789406.db2.gz CEYMDDSLFZSCKB-UHFFFAOYSA-N 1 0 349.478 4.226 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CN1Cc1ccccc1 ZINC001171735484 1049799507 /nfs/dbraw/zinc/79/95/07/1049799507.db2.gz WZCJQECQFZMISA-HTAPYJJXSA-N 1 0 346.474 4.298 20 10 EICDRO CCOCc1cc(C[NH2+]C(C)(C)c2ccccc2F)ccc1OC ZINC000813792696 1049817746 /nfs/dbraw/zinc/81/77/46/1049817746.db2.gz VGQNNAXLDBCVGS-UHFFFAOYSA-N 1 0 331.431 4.396 20 10 EICDRO CCOC(=O)C1(C)CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001171957612 1049822690 /nfs/dbraw/zinc/82/26/90/1049822690.db2.gz WNRWLYAEXKRECB-UHFFFAOYSA-N 1 0 346.515 4.087 20 10 EICDRO Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000813856617 1049824023 /nfs/dbraw/zinc/82/40/23/1049824023.db2.gz KFJMTFLEUGGDBV-OXJNMPFZSA-N 1 0 341.426 4.018 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(O)c1C ZINC000813884301 1049831222 /nfs/dbraw/zinc/83/12/22/1049831222.db2.gz HIDIEDNDDCGOPK-IQUTYRLHSA-N 1 0 331.481 4.424 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000813884589 1049831529 /nfs/dbraw/zinc/83/15/29/1049831529.db2.gz XGAOFNSCJUDCHC-QAPCUYQASA-N 1 0 328.431 4.159 20 10 EICDRO CCC1(O)CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823464676 1049848553 /nfs/dbraw/zinc/84/85/53/1049848553.db2.gz JHFBYRKYPQZNLJ-UHFFFAOYSA-N 1 0 344.524 4.121 20 10 EICDRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(N2CCOCC2)cc1 ZINC000068478419 1049856702 /nfs/dbraw/zinc/85/67/02/1049856702.db2.gz FKPRAFQBOTWFPI-FTRWYGJKSA-N 1 0 340.467 4.090 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115718 1049859267 /nfs/dbraw/zinc/85/92/67/1049859267.db2.gz ZHJFMYNWQJKKBI-DLRJPAPCSA-N 1 0 342.527 4.237 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772877179 1049885128 /nfs/dbraw/zinc/88/51/28/1049885128.db2.gz WCCXDADTPONXRX-CYBMUJFWSA-N 1 0 345.512 4.088 20 10 EICDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823944025 1049888957 /nfs/dbraw/zinc/88/89/57/1049888957.db2.gz RNOLUTIXBPAHNK-WMZOPIPTSA-N 1 0 346.540 4.271 20 10 EICDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccccc1O ZINC001172577963 1049952080 /nfs/dbraw/zinc/95/20/80/1049952080.db2.gz XSSUTUDOHLQAOF-NSHDSACASA-N 1 0 325.786 4.435 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000181347686 1050106573 /nfs/dbraw/zinc/10/65/73/1050106573.db2.gz GCHWKNKZYIRADJ-HNNXBMFYSA-N 1 0 327.472 4.176 20 10 EICDRO CCN(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC001177250115 1050175943 /nfs/dbraw/zinc/17/59/43/1050175943.db2.gz JBHFZOOHAUKSLQ-LJQANCHMSA-N 1 0 344.524 4.246 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)cc1C ZINC000067669978 1050216045 /nfs/dbraw/zinc/21/60/45/1050216045.db2.gz RFKBSVLZRHKRFN-UHFFFAOYSA-N 1 0 348.446 4.267 20 10 EICDRO CN(c1ccc(C[NH2+]Cc2cccc(F)c2N)cc1)C1CCCCC1 ZINC001177543022 1050249441 /nfs/dbraw/zinc/24/94/41/1050249441.db2.gz XQXNBDTYMLSPOM-UHFFFAOYSA-N 1 0 341.474 4.467 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1OCC(C)C ZINC001177804834 1050307476 /nfs/dbraw/zinc/30/74/76/1050307476.db2.gz UEQHGNATWNCDDZ-UHFFFAOYSA-N 1 0 326.484 4.386 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC001177871250 1050310010 /nfs/dbraw/zinc/31/00/10/1050310010.db2.gz RWUXPLKWNWPBHN-JOCHJYFZSA-N 1 0 340.511 4.310 20 10 EICDRO Cc1c2ccccc2oc1C[NH2+]Cc1c(O)cccc1Br ZINC001177855346 1050317864 /nfs/dbraw/zinc/31/78/64/1050317864.db2.gz SJYNLPLGSUBZBQ-UHFFFAOYSA-N 1 0 346.224 4.499 20 10 EICDRO CC[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Oc1cccc(F)c1 ZINC001177943261 1050343882 /nfs/dbraw/zinc/34/38/82/1050343882.db2.gz PVFQYPAJZIPMIC-ROUKRRSUSA-N 1 0 342.458 4.352 20 10 EICDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC001178081118 1050381527 /nfs/dbraw/zinc/38/15/27/1050381527.db2.gz FVBJBLVMKRPGCG-OAQYLSRUSA-N 1 0 336.479 4.035 20 10 EICDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000069879650 1050389170 /nfs/dbraw/zinc/38/91/70/1050389170.db2.gz IBSZGDRLNWJRFT-QFIPXVFZSA-N 1 0 338.495 4.319 20 10 EICDRO Fc1cc2c(cc1F)CC([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC001173475178 1050459378 /nfs/dbraw/zinc/45/93/78/1050459378.db2.gz JDJXKZNTLSCDBR-UHFFFAOYSA-N 1 0 342.433 4.212 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC001178549736 1050499230 /nfs/dbraw/zinc/49/92/30/1050499230.db2.gz NQMWUTPLAPBOES-QGZVFWFLSA-N 1 0 332.538 4.368 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756257 1050502080 /nfs/dbraw/zinc/50/20/80/1050502080.db2.gz VFEYFBXBPMHGHT-FYSMJZIKSA-N 1 0 344.524 4.073 20 10 EICDRO CC[C@@]1(C[NH2+]Cc2c(C)c3ccccc3n2C)OCCc2ccccc21 ZINC001178859841 1050580550 /nfs/dbraw/zinc/58/05/50/1050580550.db2.gz KLBFGTBOEAASPQ-QHCPKHFHSA-N 1 0 348.490 4.455 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CS1 ZINC001178950431 1050593814 /nfs/dbraw/zinc/59/38/14/1050593814.db2.gz NWVIPRFRECFCLE-ZBFHGGJFSA-N 1 0 332.538 4.368 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001178972030 1050600970 /nfs/dbraw/zinc/60/09/70/1050600970.db2.gz OLQDFFWAPCCJLF-ILZDJORESA-N 1 0 332.532 4.175 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001179024164 1050603765 /nfs/dbraw/zinc/60/37/65/1050603765.db2.gz AEMYHDHBJHVVPA-ZIAGYGMSSA-N 1 0 332.241 4.048 20 10 EICDRO CCCc1cccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001179002387 1050608530 /nfs/dbraw/zinc/60/85/30/1050608530.db2.gz OCEVIMQGQSCKOE-HXUWFJFHSA-N 1 0 338.495 4.264 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000773812186 1050665124 /nfs/dbraw/zinc/66/51/24/1050665124.db2.gz PSIKAIILPURBNB-KNQAVFIVSA-N 1 0 338.495 4.400 20 10 EICDRO CCCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1C ZINC001179277430 1050669490 /nfs/dbraw/zinc/66/94/90/1050669490.db2.gz GBXHDSFCDHJJFD-NRFANRHFSA-N 1 0 345.458 4.006 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)c1 ZINC000182460405 1050672601 /nfs/dbraw/zinc/67/26/01/1050672601.db2.gz ROVCYEXYPPKMHT-LLVKDONJSA-N 1 0 344.436 4.277 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn3cccc(F)c3n2)c(C)n1-c1ccccc1 ZINC001179332869 1050676970 /nfs/dbraw/zinc/67/69/70/1050676970.db2.gz IEXGDIPIFBEIFU-UHFFFAOYSA-N 1 0 348.425 4.171 20 10 EICDRO CCc1cccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1O ZINC001179849450 1050795939 /nfs/dbraw/zinc/79/59/39/1050795939.db2.gz DXYIVUROARMZOR-OAQYLSRUSA-N 1 0 339.479 4.217 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c(O)c1 ZINC001179874467 1050813404 /nfs/dbraw/zinc/81/34/04/1050813404.db2.gz ZVPIADRJLUFQNY-VQIMIIECSA-N 1 0 325.452 4.335 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000775193471 1050835453 /nfs/dbraw/zinc/83/54/53/1050835453.db2.gz PRGHVSRYMRKGEI-INIZCTEOSA-N 1 0 339.357 4.493 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856686 /nfs/dbraw/zinc/85/66/86/1050856686.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 1 0 336.907 4.132 20 10 EICDRO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001180039077 1050862322 /nfs/dbraw/zinc/86/23/22/1050862322.db2.gz KQVRDTIKSPIKIU-UHFFFAOYSA-N 1 0 347.405 4.331 20 10 EICDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001180067907 1050873056 /nfs/dbraw/zinc/87/30/56/1050873056.db2.gz HGBJDWKQRPXBGM-LJQANCHMSA-N 1 0 335.451 4.407 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC001180203041 1050913764 /nfs/dbraw/zinc/91/37/64/1050913764.db2.gz HWHUFPBVTBREQN-UHFFFAOYSA-N 1 0 342.508 4.139 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001180318143 1050949224 /nfs/dbraw/zinc/94/92/24/1050949224.db2.gz XIYCVTLKLYVQRB-ROUKRRSUSA-N 1 0 336.479 4.167 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000183105639 1050980445 /nfs/dbraw/zinc/98/04/45/1050980445.db2.gz ZVLCGLLAASWEIN-CHWSQXEVSA-N 1 0 330.384 4.029 20 10 EICDRO C[C@H]1Cc2cc(C[N@H+](Cc3ccc(N(C)C)cc3)C3CC3)ccc2O1 ZINC001180557717 1051035025 /nfs/dbraw/zinc/03/50/25/1051035025.db2.gz GBHPNOLNXAPISE-INIZCTEOSA-N 1 0 336.479 4.241 20 10 EICDRO CCCc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775307556 1051055611 /nfs/dbraw/zinc/05/56/11/1051055611.db2.gz MYKXOOGVGJKALF-SFHVURJKSA-N 1 0 338.495 4.327 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(c3ncc(C)s3)CC2)cc1 ZINC000773887179 1051119374 /nfs/dbraw/zinc/11/93/74/1051119374.db2.gz CPALZCKKNVIKPF-UHFFFAOYSA-N 1 0 329.513 4.287 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1SC ZINC000775364026 1051129726 /nfs/dbraw/zinc/12/97/26/1051129726.db2.gz PATCAEINPIZGPC-AWEZNQCLSA-N 1 0 330.497 4.334 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775363982 1051130045 /nfs/dbraw/zinc/13/00/45/1051130045.db2.gz OJJBIOGEKMBIBU-AWEZNQCLSA-N 1 0 334.410 4.247 20 10 EICDRO CN(C)c1cc(F)c(C[NH+]2CCC(c3ccsc3)CC2)cc1F ZINC001180985627 1051131445 /nfs/dbraw/zinc/13/14/45/1051131445.db2.gz NNFALPFAEFCXAI-UHFFFAOYSA-N 1 0 336.451 4.472 20 10 EICDRO CCOc1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c1O ZINC000775374539 1051154668 /nfs/dbraw/zinc/15/46/68/1051154668.db2.gz LFJHJJYGMWLOPW-UHFFFAOYSA-N 1 0 329.415 4.185 20 10 EICDRO CCCN(Cc1cc(OC)c(OC)cc1Cl)c1ccc(C[NH3+])cc1 ZINC001181454231 1051228012 /nfs/dbraw/zinc/22/80/12/1051228012.db2.gz CRCXBKLEHQFRLB-UHFFFAOYSA-N 1 0 348.874 4.233 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(Cl)c1 ZINC001181729152 1051287865 /nfs/dbraw/zinc/28/78/65/1051287865.db2.gz KPNKRJDFPKMJQP-KGLIPLIRSA-N 1 0 334.674 4.370 20 10 EICDRO CCC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001191174013 1051375178 /nfs/dbraw/zinc/37/51/78/1051375178.db2.gz MSZDVHZEXIPMAW-VAMGGRTRSA-N 1 0 330.516 4.168 20 10 EICDRO CCC[N@H+](Cc1ccn(CCc2ccccc2)n1)Cc1ccccc1O ZINC001191288102 1051417405 /nfs/dbraw/zinc/41/74/05/1051417405.db2.gz CFEQISCWBBEBSV-UHFFFAOYSA-N 1 0 349.478 4.244 20 10 EICDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182286810 1051469294 /nfs/dbraw/zinc/46/92/94/1051469294.db2.gz YOCXZESDBFGZED-INIZCTEOSA-N 1 0 335.488 4.089 20 10 EICDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000774200293 1051497825 /nfs/dbraw/zinc/49/78/25/1051497825.db2.gz ICWFFVSXQFNUML-OAHLLOKOSA-N 1 0 349.481 4.201 20 10 EICDRO CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1cc(Cl)ccc1O ZINC000775484626 1051556439 /nfs/dbraw/zinc/55/64/39/1051556439.db2.gz HJWKRSWKTSKYNB-INIZCTEOSA-N 1 0 343.858 4.445 20 10 EICDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)c(C)n1 ZINC000774475425 1051607756 /nfs/dbraw/zinc/60/77/56/1051607756.db2.gz SNEQHXHTKHHRKD-MRXNPFEDSA-N 1 0 328.504 4.299 20 10 EICDRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485403 1051613220 /nfs/dbraw/zinc/61/32/20/1051613220.db2.gz UXBYBGQHPMBMHL-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO CCO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000774499655 1051617399 /nfs/dbraw/zinc/61/73/99/1051617399.db2.gz XRGWMNJBGWUUNA-RPVQJOFSSA-N 1 0 329.415 4.447 20 10 EICDRO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775501755 1051633185 /nfs/dbraw/zinc/63/31/85/1051633185.db2.gz KWSFCWGWYIGAFE-HNNXBMFYSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775504509 1051645165 /nfs/dbraw/zinc/64/51/65/1051645165.db2.gz ZOALYJPZDSBIJH-BZNIZROVSA-N 1 0 347.846 4.338 20 10 EICDRO COc1cccc2c(C[NH2+]Cc3cc(Cl)ccc3O)cccc12 ZINC001182684509 1051672482 /nfs/dbraw/zinc/67/24/82/1051672482.db2.gz MHAAIRGZSPKALE-UHFFFAOYSA-N 1 0 327.811 4.497 20 10 EICDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001182754778 1051682651 /nfs/dbraw/zinc/68/26/51/1051682651.db2.gz ORMXVVSSBQNHAS-HNNXBMFYSA-N 1 0 335.488 4.088 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)c2cc(F)cc(F)c2)cc1 ZINC001182725021 1051689408 /nfs/dbraw/zinc/68/94/08/1051689408.db2.gz DVRNNHNIYFGADS-HNNXBMFYSA-N 1 0 348.437 4.145 20 10 EICDRO COc1ccc(N2CCC(Nc3[nH+]ccc(C)c3C3CC3)CC2)cc1 ZINC001182781241 1051711548 /nfs/dbraw/zinc/71/15/48/1051711548.db2.gz JQOYYFXBJNWOJM-UHFFFAOYSA-N 1 0 337.467 4.357 20 10 EICDRO CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cc(Cl)ccc1O ZINC000775532196 1051748615 /nfs/dbraw/zinc/74/86/15/1051748615.db2.gz SYUZQSXDDPKGND-CJNGLKHVSA-N 1 0 325.880 4.275 20 10 EICDRO CC[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccccc1O ZINC000775545787 1051808923 /nfs/dbraw/zinc/80/89/23/1051808923.db2.gz GNJNRCHGWJADRL-INIZCTEOSA-N 1 0 349.272 4.308 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCSCCC(F)(F)F)cc1Cl ZINC001183355918 1051827968 /nfs/dbraw/zinc/82/79/68/1051827968.db2.gz YFTUEPNYIRJVIH-UHFFFAOYSA-N 1 0 327.799 4.129 20 10 EICDRO COc1cc(C)c(CNc2ccc(C[NH+]3CCCCC3)cc2)c(O)c1 ZINC001183490825 1051849563 /nfs/dbraw/zinc/84/95/63/1051849563.db2.gz LVPSWKDEMZPIPZ-UHFFFAOYSA-N 1 0 340.467 4.307 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)ccc1N(C)C ZINC001193012431 1051853814 /nfs/dbraw/zinc/85/38/14/1051853814.db2.gz ROJLEYIKMCCNNG-IBGZPJMESA-N 1 0 348.494 4.075 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]Cc2cscc2Cl)c1O ZINC001183843208 1051904384 /nfs/dbraw/zinc/90/43/84/1051904384.db2.gz ICJMPVPUJLWWCT-UHFFFAOYSA-N 1 0 346.677 4.468 20 10 EICDRO C[C@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1ccc(N(C)C)cc1 ZINC001193575168 1051948583 /nfs/dbraw/zinc/94/85/83/1051948583.db2.gz LEOIELZVXBDHCW-JVPBZIDWSA-N 1 0 330.422 4.452 20 10 EICDRO Cc1[nH]c2ccccc2c1SCC[NH2+]Cc1ccc(C)cc1O ZINC001184398660 1052004142 /nfs/dbraw/zinc/00/41/42/1052004142.db2.gz LMPNYPOFDZXAIM-UHFFFAOYSA-N 1 0 326.465 4.372 20 10 EICDRO COc1cccc(C[N@H+](C)CCc2ccc(C(F)(F)F)cc2)c1O ZINC001203602396 1052129948 /nfs/dbraw/zinc/12/99/48/1052129948.db2.gz UFQHUVNNBOJZGV-UHFFFAOYSA-N 1 0 339.357 4.094 20 10 EICDRO CCOc1ccc(CC[N@H+](C)Cc2ccc(N(C)CC)cc2)cc1 ZINC001176833383 1052198154 /nfs/dbraw/zinc/19/81/54/1052198154.db2.gz VPIBWLHRBPCDIU-UHFFFAOYSA-N 1 0 326.484 4.216 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001177086660 1052229037 /nfs/dbraw/zinc/22/90/37/1052229037.db2.gz NREFFZVQNCZPPG-SOFGYWHQSA-N 1 0 348.494 4.104 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1C(C)C ZINC000184809167 1052233477 /nfs/dbraw/zinc/23/34/77/1052233477.db2.gz TZVSQEGZCUDRIL-JOCHJYFZSA-N 1 0 337.463 4.455 20 10 EICDRO COc1c([O-])c(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774885171 1052252376 /nfs/dbraw/zinc/25/23/76/1052252376.db2.gz JCYGDRNDIFAMBE-QGZVFWFLSA-N 1 0 344.411 4.138 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1O ZINC000184857289 1052265223 /nfs/dbraw/zinc/26/52/23/1052265223.db2.gz YASVDIZVIBMWPD-PBHICJAKSA-N 1 0 332.419 4.002 20 10 EICDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184896635 1052296533 /nfs/dbraw/zinc/29/65/33/1052296533.db2.gz RNJFXPJVFXGCOR-ZUOKHONESA-N 1 0 345.414 4.350 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC(F)F ZINC000184949935 1052330611 /nfs/dbraw/zinc/33/06/11/1052330611.db2.gz JQFHOAACDVRQHQ-GFCCVEGCSA-N 1 0 337.366 4.161 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC000185003386 1052356972 /nfs/dbraw/zinc/35/69/72/1052356972.db2.gz YQYFNJUDYIBDDF-GOSISDBHSA-N 1 0 338.495 4.058 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000185007610 1052360236 /nfs/dbraw/zinc/36/02/36/1052360236.db2.gz SRSYWGXNEMFMJS-KRWDZBQOSA-N 1 0 325.452 4.100 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000185007589 1052360529 /nfs/dbraw/zinc/36/05/29/1052360529.db2.gz SRSYWGXNEMFMJS-QGZVFWFLSA-N 1 0 325.452 4.100 20 10 EICDRO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1cc(F)ccc1O ZINC000185072981 1052392560 /nfs/dbraw/zinc/39/25/60/1052392560.db2.gz YNIPDWVYOLDEGV-INIZCTEOSA-N 1 0 331.431 4.221 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000185160671 1052495594 /nfs/dbraw/zinc/49/55/94/1052495594.db2.gz GPLDDEVQKGTXAB-HUUCEWRRSA-N 1 0 340.423 4.069 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c(O)c1 ZINC000185245806 1052549573 /nfs/dbraw/zinc/54/95/73/1052549573.db2.gz GCEKYLBHMQMYCH-DLBZAZTESA-N 1 0 344.524 4.325 20 10 EICDRO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O ZINC000185340698 1052581221 /nfs/dbraw/zinc/58/12/21/1052581221.db2.gz CWYOMBMSPPCDNJ-CQSZACIVSA-N 1 0 344.455 4.111 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000185413231 1052598091 /nfs/dbraw/zinc/59/80/91/1052598091.db2.gz QSNAMHIMUWYWLG-CQSZACIVSA-N 1 0 329.465 4.376 20 10 EICDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185559357 1052639657 /nfs/dbraw/zinc/63/96/57/1052639657.db2.gz XCCQYKFAQDHAOD-KGLIPLIRSA-N 1 0 337.467 4.178 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185592702 1052651535 /nfs/dbraw/zinc/65/15/35/1052651535.db2.gz FQZDEPAPRSSZBY-ZDUSSCGKSA-N 1 0 345.414 4.337 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658830 1052666522 /nfs/dbraw/zinc/66/65/22/1052666522.db2.gz HUFIPQAXUWCIJO-BXWFABGCSA-N 1 0 342.458 4.235 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000185662004 1052667483 /nfs/dbraw/zinc/66/74/83/1052667483.db2.gz TUCCPSFGJXNZEC-GOSISDBHSA-N 1 0 349.478 4.381 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c1 ZINC000185720594 1052685422 /nfs/dbraw/zinc/68/54/22/1052685422.db2.gz VUZITRZVXNDNCI-DYVFJYSZSA-N 1 0 327.449 4.300 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186129604 1052917295 /nfs/dbraw/zinc/91/72/95/1052917295.db2.gz GPIANMAGOGIKJJ-CRAIPNDOSA-N 1 0 329.484 4.413 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186129642 1052917467 /nfs/dbraw/zinc/91/74/67/1052917467.db2.gz GPIANMAGOGIKJJ-QAPCUYQASA-N 1 0 329.484 4.413 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000764142637 1053034329 /nfs/dbraw/zinc/03/43/29/1053034329.db2.gz IUTVYQGRNBBMCH-JOCHJYFZSA-N 1 0 336.479 4.033 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)c1ccccc1 ZINC000764140458 1053034864 /nfs/dbraw/zinc/03/48/64/1053034864.db2.gz GYNZUQFHATUKGN-QFIPXVFZSA-N 1 0 338.495 4.016 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850137359 1053078172 /nfs/dbraw/zinc/07/81/72/1053078172.db2.gz NRYZLLQNXJEZSV-LLVKDONJSA-N 1 0 332.444 4.154 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)Cc2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850151275 1053078202 /nfs/dbraw/zinc/07/82/02/1053078202.db2.gz WPNKGFMALKBUEU-LBPRGKRZSA-N 1 0 346.471 4.024 20 10 EICDRO COc1cc(C[NH2+]Cc2ccnc(SC)c2)c(O)c(C(C)(C)C)c1 ZINC000850235721 1053094624 /nfs/dbraw/zinc/09/46/24/1053094624.db2.gz FABBICGSTSXRRY-UHFFFAOYSA-N 1 0 346.496 4.105 20 10 EICDRO COc1cc(C[NH2+]CCC[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850247020 1053098059 /nfs/dbraw/zinc/09/80/59/1053098059.db2.gz PCSUEPQIWZVXDX-MRXNPFEDSA-N 1 0 335.488 4.137 20 10 EICDRO Cc1c(Br)cncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000850251766 1053099655 /nfs/dbraw/zinc/09/96/55/1053099655.db2.gz FTUHGNIUCPYBKI-ZDUSSCGKSA-N 1 0 348.288 4.069 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCCC23CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000850285327 1053107169 /nfs/dbraw/zinc/10/71/69/1053107169.db2.gz WNKSTFLQIUCFSR-SFHVURJKSA-N 1 0 347.499 4.137 20 10 EICDRO COc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)c(O)c(C(C)(C)C)c1 ZINC000850381285 1053154441 /nfs/dbraw/zinc/15/44/41/1053154441.db2.gz ZVUFVMXFUAUXNU-QGZVFWFLSA-N 1 0 327.415 4.223 20 10 EICDRO CCOCc1cc(C[NH2+]C2CCC3(CC3(F)F)CC2)ccc1OC ZINC000850391703 1053163581 /nfs/dbraw/zinc/16/35/81/1053163581.db2.gz XPPUUMZFNVWWFF-UHFFFAOYSA-N 1 0 339.426 4.289 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764564261 1053201442 /nfs/dbraw/zinc/20/14/42/1053201442.db2.gz PZOLDGRCTABSCU-YLJYHZDGSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(C(F)F)nc1 ZINC000850437646 1053212240 /nfs/dbraw/zinc/21/22/40/1053212240.db2.gz RALUUSDBTZPVSY-JTQLQIEISA-N 1 0 329.441 4.309 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000764590230 1053215839 /nfs/dbraw/zinc/21/58/39/1053215839.db2.gz MWTHGOFPYPFOGN-MRXNPFEDSA-N 1 0 336.483 4.152 20 10 EICDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654953 1053251199 /nfs/dbraw/zinc/25/11/99/1053251199.db2.gz DQRMHMNMLDDWQR-GXFFZTMASA-N 1 0 331.378 4.168 20 10 EICDRO CC[C@H]([NH2+]CCC1CC(OC)C1)c1cc(Br)ccc1O ZINC000850483533 1053257624 /nfs/dbraw/zinc/25/76/24/1053257624.db2.gz YQEUNWFGONZCNB-HGMXIMQMSA-N 1 0 342.277 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3nccc4ccccc43)C2)cc1 ZINC000850488546 1053257742 /nfs/dbraw/zinc/25/77/42/1053257742.db2.gz TXQANXQJKUHIDN-FUHWJXTLSA-N 1 0 347.462 4.173 20 10 EICDRO Cc1ccncc1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000850505168 1053265685 /nfs/dbraw/zinc/26/56/85/1053265685.db2.gz NZYPXUOYODGOOJ-CYBMUJFWSA-N 1 0 349.272 4.060 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513805 1053274106 /nfs/dbraw/zinc/27/41/06/1053274106.db2.gz JPVVBKNTSMBTCI-HNAYVOBHSA-N 1 0 329.440 4.056 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000850520709 1053276532 /nfs/dbraw/zinc/27/65/32/1053276532.db2.gz GOPAKSKUPQAWDU-MJGOQNOKSA-N 1 0 347.405 4.080 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000850520708 1053278208 /nfs/dbraw/zinc/27/82/08/1053278208.db2.gz GOPAKSKUPQAWDU-IEBWSBKVSA-N 1 0 347.405 4.080 20 10 EICDRO CC[C@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000764716833 1053279526 /nfs/dbraw/zinc/27/95/26/1053279526.db2.gz LZLDCQBWNLTIEK-FPOVZHCZSA-N 1 0 326.484 4.041 20 10 EICDRO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000850523799 1053282225 /nfs/dbraw/zinc/28/22/25/1053282225.db2.gz PJOYSCUHAAPCFO-OCCSQVGLSA-N 1 0 329.362 4.163 20 10 EICDRO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3cc(C)ccc3O)on2)cc1 ZINC000850525988 1053284498 /nfs/dbraw/zinc/28/44/98/1053284498.db2.gz NUMDUPFOMDPADH-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000764750758 1053292662 /nfs/dbraw/zinc/29/26/62/1053292662.db2.gz WQRQKNAUKKMSAL-OALUTQOASA-N 1 0 332.875 4.180 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000764750602 1053294631 /nfs/dbraw/zinc/29/46/31/1053294631.db2.gz VYHHPFGOYXLOOM-AUUYWEPGSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc2ccccc2c1O ZINC000850552627 1053306074 /nfs/dbraw/zinc/30/60/74/1053306074.db2.gz XBUXEGBTYSCNJE-AWEZNQCLSA-N 1 0 335.451 4.397 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554951 1053310187 /nfs/dbraw/zinc/31/01/87/1053310187.db2.gz IQDASXJEOKVVGX-ZBFHGGJFSA-N 1 0 338.234 4.010 20 10 EICDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850553781 1053310661 /nfs/dbraw/zinc/31/06/61/1053310661.db2.gz CPPPSHUCFUFECI-HJOIGYKYSA-N 1 0 334.479 4.018 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000850566954 1053319491 /nfs/dbraw/zinc/31/94/91/1053319491.db2.gz VHAPDYUXDVTXMI-SFHVURJKSA-N 1 0 338.495 4.115 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850568306 1053322697 /nfs/dbraw/zinc/32/26/97/1053322697.db2.gz VEYVFUNXAMVWBC-NRFANRHFSA-N 1 0 342.458 4.028 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000764891031 1053353202 /nfs/dbraw/zinc/35/32/02/1053353202.db2.gz POQRMBJTIHTQHZ-PGRDOPGGSA-N 1 0 337.511 4.320 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000764891030 1053354056 /nfs/dbraw/zinc/35/40/56/1053354056.db2.gz POQRMBJTIHTQHZ-GCJKJVERSA-N 1 0 337.511 4.320 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1O ZINC000775648809 1053358460 /nfs/dbraw/zinc/35/84/60/1053358460.db2.gz XXQAFBGNFDGQKX-HXUWFJFHSA-N 1 0 345.870 4.300 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000775650403 1053367554 /nfs/dbraw/zinc/36/75/54/1053367554.db2.gz BSWADOBMNDWACB-INIZCTEOSA-N 1 0 347.256 4.195 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C)cc1O ZINC000794798681 1053384559 /nfs/dbraw/zinc/38/45/59/1053384559.db2.gz YOPGTOVMFCJEMX-GOSISDBHSA-N 1 0 327.472 4.183 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1O ZINC000794792890 1053387777 /nfs/dbraw/zinc/38/77/77/1053387777.db2.gz GZVPTXIQYUBHPL-WOJBJXKFSA-N 1 0 342.483 4.053 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1O ZINC000794804214 1053395496 /nfs/dbraw/zinc/39/54/96/1053395496.db2.gz UCRPKGGHDHCLEO-RDJZCZTQSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1O ZINC000794806047 1053405468 /nfs/dbraw/zinc/40/54/68/1053405468.db2.gz ZQSBFHQCQYIQFT-UZLBHIALSA-N 1 0 342.458 4.407 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1O ZINC000794806043 1053405673 /nfs/dbraw/zinc/40/56/73/1053405673.db2.gz ZQSBFHQCQYIQFT-OXQOHEQNSA-N 1 0 342.458 4.407 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1ccc(N(C)C)cc1 ZINC000764985699 1053409884 /nfs/dbraw/zinc/40/98/84/1053409884.db2.gz UHOLRWJOLLUVNH-LJQANCHMSA-N 1 0 327.472 4.176 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1ccc(N(C)C)cc1 ZINC000764985697 1053410847 /nfs/dbraw/zinc/41/08/47/1053410847.db2.gz UHOLRWJOLLUVNH-IBGZPJMESA-N 1 0 327.472 4.176 20 10 EICDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775659344 1053417481 /nfs/dbraw/zinc/41/74/81/1053417481.db2.gz WCJOMQDYHRRKPV-IOASZLSFSA-N 1 0 340.870 4.022 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000775659028 1053419556 /nfs/dbraw/zinc/41/95/56/1053419556.db2.gz UCAKKYXUHYKUBK-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1O ZINC000794815361 1053421157 /nfs/dbraw/zinc/42/11/57/1053421157.db2.gz KEGXUAYTCQENQI-DNVCBOLYSA-N 1 0 336.439 4.083 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC(OCCC(C)C)CC2)c1O ZINC000775658208 1053426747 /nfs/dbraw/zinc/42/67/47/1053426747.db2.gz HGUXPNOGDSYJDR-UHFFFAOYSA-N 1 0 325.880 4.381 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C)cc1O ZINC000794811931 1053427576 /nfs/dbraw/zinc/42/75/76/1053427576.db2.gz ALKXUCJUYCKQTC-LKUPVBHCSA-N 1 0 326.484 4.433 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794812424 1053427762 /nfs/dbraw/zinc/42/77/62/1053427762.db2.gz CNUZVZHSMLJPOJ-PKOBYXMFSA-N 1 0 333.859 4.302 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1O ZINC000794816987 1053430099 /nfs/dbraw/zinc/43/00/99/1053430099.db2.gz SGXCOFMXQBDNIF-RBUKOAKNSA-N 1 0 344.499 4.065 20 10 EICDRO CC[C@@H]([NH2+][C@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816607 1053432309 /nfs/dbraw/zinc/43/23/09/1053432309.db2.gz LOURPKNANSQJQD-QZTJIDSGSA-N 1 0 335.394 4.407 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(C)cc1O ZINC000794818671 1053435168 /nfs/dbraw/zinc/43/51/68/1053435168.db2.gz XYENWXGSYNFEAG-AGHHOFFYSA-N 1 0 341.495 4.371 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1ccc(C)cc1O ZINC000794819750 1053435695 /nfs/dbraw/zinc/43/56/95/1053435695.db2.gz XLGSLPOAXFJNIG-LJQANCHMSA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C ZINC000765079690 1053438239 /nfs/dbraw/zinc/43/82/39/1053438239.db2.gz PPHGIRXFNLGBSJ-KRWDZBQOSA-N 1 0 344.421 4.066 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)CC(=O)Nc1ccccc1 ZINC000775667583 1053459429 /nfs/dbraw/zinc/45/94/29/1053459429.db2.gz LPSKBRNIWYLYDA-MRXNPFEDSA-N 1 0 326.440 4.022 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246810 1053475551 /nfs/dbraw/zinc/47/55/51/1053475551.db2.gz WNQLGITZRDRDOC-ZIAGYGMSSA-N 1 0 345.874 4.084 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246806 1053476703 /nfs/dbraw/zinc/47/67/03/1053476703.db2.gz WNQLGITZRDRDOC-KBPBESRZSA-N 1 0 345.874 4.084 20 10 EICDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000765260770 1053479130 /nfs/dbraw/zinc/47/91/30/1053479130.db2.gz SFTXPQFGQTWMIJ-SFHVURJKSA-N 1 0 326.488 4.004 20 10 EICDRO CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000765278271 1053488297 /nfs/dbraw/zinc/48/82/97/1053488297.db2.gz XULUKVJTZDIIHH-QFIPXVFZSA-N 1 0 337.511 4.462 20 10 EICDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765288182 1053494737 /nfs/dbraw/zinc/49/47/37/1053494737.db2.gz VSBSBJYCOLLTHP-UYAOXDASSA-N 1 0 348.506 4.091 20 10 EICDRO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000794839056 1053514430 /nfs/dbraw/zinc/51/44/30/1053514430.db2.gz YHXOIAOSQGPFLH-NLMOZGTASA-N 1 0 341.543 4.344 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000765404759 1053536713 /nfs/dbraw/zinc/53/67/13/1053536713.db2.gz MQABMJOMFLSWAN-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765422814 1053541296 /nfs/dbraw/zinc/54/12/96/1053541296.db2.gz CPYQEEULAMLDKI-HUUCEWRRSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCOC1 ZINC000765446074 1053550436 /nfs/dbraw/zinc/55/04/36/1053550436.db2.gz QITAHLNURAMOFO-RXVVDRJESA-N 1 0 330.516 4.360 20 10 EICDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000775679251 1053554412 /nfs/dbraw/zinc/55/44/12/1053554412.db2.gz SCKTWEBHJXDOJB-MRXNPFEDSA-N 1 0 336.907 4.134 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2OC)c1 ZINC000775682500 1053558035 /nfs/dbraw/zinc/55/80/35/1053558035.db2.gz ZHLNGLOTJCOAAE-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc2c(s1)CCC2 ZINC000765480494 1053559637 /nfs/dbraw/zinc/55/96/37/1053559637.db2.gz NBJGWBUFYNVZFT-AWEZNQCLSA-N 1 0 326.509 4.470 20 10 EICDRO CCOCc1cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)ccc1OC ZINC000865699179 1053573731 /nfs/dbraw/zinc/57/37/31/1053573731.db2.gz WCLCPCCEQFJYQA-UHFFFAOYSA-N 1 0 349.515 4.448 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(OC)c1OC ZINC000865758531 1053585955 /nfs/dbraw/zinc/58/59/55/1053585955.db2.gz JZKNALHSVHVMOZ-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(OC)c1OC ZINC000865758532 1053586402 /nfs/dbraw/zinc/58/64/02/1053586402.db2.gz JZKNALHSVHVMOZ-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO Fc1ccc2onc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2c1 ZINC000865761686 1053587548 /nfs/dbraw/zinc/58/75/48/1053587548.db2.gz ZKAUPPLXYBMCKF-UHFFFAOYSA-N 1 0 339.414 4.247 20 10 EICDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)cc1 ZINC000120877252 1053632757 /nfs/dbraw/zinc/63/27/57/1053632757.db2.gz BRWFDIOAKRDDNQ-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240817 1053657912 /nfs/dbraw/zinc/65/79/12/1053657912.db2.gz ILHQNPKIPXUVPS-UZLBHIALSA-N 1 0 346.478 4.276 20 10 EICDRO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(Cl)ccc1O ZINC000853242518 1053659571 /nfs/dbraw/zinc/65/95/71/1053659571.db2.gz PZRYSOZSNPXOAK-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1OC ZINC000853539100 1053685552 /nfs/dbraw/zinc/68/55/52/1053685552.db2.gz NDZDSUDZZAUYBI-LJQANCHMSA-N 1 0 343.423 4.120 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1O ZINC000775722779 1053690710 /nfs/dbraw/zinc/69/07/10/1053690710.db2.gz ATNRTOCMMTXGLT-UHFFFAOYSA-N 1 0 343.854 4.376 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000775727778 1053708881 /nfs/dbraw/zinc/70/88/81/1053708881.db2.gz KOLOICNERLELDA-QGZVFWFLSA-N 1 0 338.407 4.269 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000866404144 1053717423 /nfs/dbraw/zinc/71/74/23/1053717423.db2.gz QEVFMYKJUMGJJV-LMMKCTJWSA-N 1 0 333.378 4.241 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)s1 ZINC000866455473 1053739169 /nfs/dbraw/zinc/73/91/69/1053739169.db2.gz LYVYMCOUQKLQED-DTWKUNHWSA-N 1 0 341.274 4.331 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000121085600 1053755209 /nfs/dbraw/zinc/75/52/09/1053755209.db2.gz PVHLWGMKTBSBDG-DOTOQJQBSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000121085405 1053756052 /nfs/dbraw/zinc/75/60/52/1053756052.db2.gz PVHLWGMKTBSBDG-WBVHZDCISA-N 1 0 339.357 4.185 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1O ZINC000866536372 1053772609 /nfs/dbraw/zinc/77/26/09/1053772609.db2.gz OBHSVHXUZSGUAY-MBNYWOFBSA-N 1 0 329.362 4.196 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540730 1053776402 /nfs/dbraw/zinc/77/64/02/1053776402.db2.gz BXRYHJNHRKZUDO-HNNXBMFYSA-N 1 0 325.330 4.374 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1O ZINC000866548599 1053779757 /nfs/dbraw/zinc/77/97/57/1053779757.db2.gz VRFDDIHESIZZTQ-BFYDXBDKSA-N 1 0 348.487 4.045 20 10 EICDRO CC[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(C)cc1O ZINC000866619533 1053808213 /nfs/dbraw/zinc/80/82/13/1053808213.db2.gz DLRJENNJKSUSDZ-NSHDSACASA-N 1 0 341.274 4.161 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001197104599 1053836863 /nfs/dbraw/zinc/83/68/63/1053836863.db2.gz ILQIPXGCUBUALG-MSOLQXFVSA-N 1 0 346.515 4.042 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536831 1053837530 /nfs/dbraw/zinc/83/75/30/1053837530.db2.gz MWKYGIGVLJBVAG-HOTGVXAUSA-N 1 0 328.431 4.074 20 10 EICDRO CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c(O)c1 ZINC000776817917 1053945829 /nfs/dbraw/zinc/94/58/29/1053945829.db2.gz ZLEKMZOUQRYVNV-INIZCTEOSA-N 1 0 339.357 4.227 20 10 EICDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000122672923 1054013944 /nfs/dbraw/zinc/01/39/44/1054013944.db2.gz QBZXMPMBJQTDKC-MRXNPFEDSA-N 1 0 342.483 4.237 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000122711210 1054020257 /nfs/dbraw/zinc/02/02/57/1054020257.db2.gz HLXKNPOHEZKWLG-INIZCTEOSA-N 1 0 340.467 4.073 20 10 EICDRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837818 1054118253 /nfs/dbraw/zinc/11/82/53/1054118253.db2.gz UJOSPMVUZVOCIH-INIZCTEOSA-N 1 0 339.483 4.165 20 10 EICDRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837819 1054118771 /nfs/dbraw/zinc/11/87/71/1054118771.db2.gz UJOSPMVUZVOCIH-MRXNPFEDSA-N 1 0 339.483 4.165 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1c(C)c2ccccc2n1C)CC(C)C ZINC001199161112 1054354610 /nfs/dbraw/zinc/35/46/10/1054354610.db2.gz GUVZWSZSYPMHQD-GOSISDBHSA-N 1 0 329.532 4.333 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000186182725 1054378024 /nfs/dbraw/zinc/37/80/24/1054378024.db2.gz RHXVGCBTUPCRIZ-NVXWUHKLSA-N 1 0 348.487 4.080 20 10 EICDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858010338 1054395627 /nfs/dbraw/zinc/39/56/27/1054395627.db2.gz GWBRFGSCXBEHEM-LJQANCHMSA-N 1 0 338.451 4.016 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(C)cc1O ZINC000872122304 1054399549 /nfs/dbraw/zinc/39/95/49/1054399549.db2.gz USOMGNIDZOSXDR-MRXNPFEDSA-N 1 0 339.464 4.460 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000872122770 1054401865 /nfs/dbraw/zinc/40/18/65/1054401865.db2.gz ZJMORAFOQOCOBO-AWEZNQCLSA-N 1 0 339.464 4.378 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC000872124624 1054404453 /nfs/dbraw/zinc/40/44/53/1054404453.db2.gz QJKXFHJXGMZLPH-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000858118182 1054420259 /nfs/dbraw/zinc/42/02/59/1054420259.db2.gz QVTXEKQAZJGGLN-HNNXBMFYSA-N 1 0 336.204 4.071 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1F ZINC000858117008 1054421381 /nfs/dbraw/zinc/42/13/81/1054421381.db2.gz WTUFIECNPZOPHM-UHFFFAOYSA-N 1 0 332.366 4.262 20 10 EICDRO Cc1cccnc1[C@@H]([NH2+]Cc1c(O)cccc1Br)C(C)C ZINC000858138431 1054422685 /nfs/dbraw/zinc/42/26/85/1054422685.db2.gz ZZKBZLADQBVLQN-INIZCTEOSA-N 1 0 349.272 4.345 20 10 EICDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006431 1054427339 /nfs/dbraw/zinc/42/73/39/1054427339.db2.gz JHXUIFZRYVEBBA-YOEHRIQHSA-N 1 0 344.421 4.295 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858298613 1054457461 /nfs/dbraw/zinc/45/74/61/1054457461.db2.gz MSCYUKGUWJMBTE-XLIONFOSSA-N 1 0 342.508 4.042 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1O ZINC000776020893 1054460494 /nfs/dbraw/zinc/46/04/94/1054460494.db2.gz BFJKOWVNCJRSOP-LJQANCHMSA-N 1 0 327.399 4.283 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)cc1Cn1cccn1 ZINC000873021306 1054480256 /nfs/dbraw/zinc/48/02/56/1054480256.db2.gz LCOSISCXVXXVKT-OAHLLOKOSA-N 1 0 341.480 4.161 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3nc(C)ncc32)cc1C ZINC000873051621 1054482018 /nfs/dbraw/zinc/48/20/18/1054482018.db2.gz FHQMTAYGYPFXOD-SFHVURJKSA-N 1 0 325.456 4.049 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1C ZINC000873090032 1054484962 /nfs/dbraw/zinc/48/49/62/1054484962.db2.gz MNYDFISHPNFCNI-GOSISDBHSA-N 1 0 349.540 4.318 20 10 EICDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858445517 1054491456 /nfs/dbraw/zinc/49/14/56/1054491456.db2.gz MEVSUHPGSZKRGS-IAGOWNOFSA-N 1 0 334.479 4.283 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445540 1054493499 /nfs/dbraw/zinc/49/34/99/1054493499.db2.gz MQHDNBIDEHISNZ-PZJWPPBQSA-N 1 0 339.479 4.472 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2cccc(COc3ccccc3)c2)c1 ZINC000776037413 1054497969 /nfs/dbraw/zinc/49/79/69/1054497969.db2.gz GRIADCKCCKJJIH-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490689 1054498390 /nfs/dbraw/zinc/49/83/90/1054498390.db2.gz LVGFHFKAJHLFLV-VXGBXAGGSA-N 1 0 331.287 4.082 20 10 EICDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858545635 1054512056 /nfs/dbraw/zinc/51/20/56/1054512056.db2.gz HHHRMARJURGFCL-VHFSOBRXSA-N 1 0 332.463 4.034 20 10 EICDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858545634 1054513654 /nfs/dbraw/zinc/51/36/54/1054513654.db2.gz HHHRMARJURGFCL-NQYLQCIDSA-N 1 0 332.463 4.034 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000858548947 1054515068 /nfs/dbraw/zinc/51/50/68/1054515068.db2.gz XRELNDZBCFCUMR-CBQOVEMMSA-N 1 0 337.463 4.223 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)c1O ZINC000858564911 1054517138 /nfs/dbraw/zinc/51/71/38/1054517138.db2.gz XYOAZQZAFJVZBK-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccns1 ZINC000858575999 1054521629 /nfs/dbraw/zinc/52/16/29/1054521629.db2.gz HCLNXQLJOUZRCG-IUCAKERBSA-N 1 0 327.247 4.023 20 10 EICDRO COC(=O)CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000859219218 1054643324 /nfs/dbraw/zinc/64/33/24/1054643324.db2.gz SBHZMDKHBGHMHL-KRWDZBQOSA-N 1 0 341.451 4.299 20 10 EICDRO CC(C)=CCC[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001201491486 1054819060 /nfs/dbraw/zinc/81/90/60/1054819060.db2.gz SHOHWMFIHLZEAS-IBGZPJMESA-N 1 0 330.516 4.338 20 10 EICDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001201664650 1054879657 /nfs/dbraw/zinc/87/96/57/1054879657.db2.gz QGYWXVOXONMOTK-QVKFZJNVSA-N 1 0 340.442 4.492 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)cc1 ZINC001201761233 1054900602 /nfs/dbraw/zinc/90/06/02/1054900602.db2.gz OPHVFOQVBIGPFN-AHRSYUTCSA-N 1 0 332.532 4.462 20 10 EICDRO CC(C)CSCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001201858056 1054922681 /nfs/dbraw/zinc/92/26/81/1054922681.db2.gz ZMXNSQWNUSNERQ-UHFFFAOYSA-N 1 0 334.451 4.250 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001201832624 1054927991 /nfs/dbraw/zinc/92/79/91/1054927991.db2.gz CREOCPLZONRFMV-CRAIPNDOSA-N 1 0 349.515 4.382 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1c(F)cccc1Cl ZINC000776221263 1054937862 /nfs/dbraw/zinc/93/78/62/1054937862.db2.gz UMQCCAORRTVSND-PSLIRLAXSA-N 1 0 344.213 4.050 20 10 EICDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001201930184 1054943242 /nfs/dbraw/zinc/94/32/42/1054943242.db2.gz WDXWZSICYCMBFA-JFIYKMOQSA-N 1 0 345.487 4.499 20 10 EICDRO COc1cc(C[NH2+]CCC2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC001201919942 1054950976 /nfs/dbraw/zinc/95/09/76/1054950976.db2.gz JUGMNJZAJFSXPC-UHFFFAOYSA-N 1 0 349.515 4.383 20 10 EICDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)cc2O)cnn1-c1ccc(F)cc1 ZINC000876976636 1054990353 /nfs/dbraw/zinc/99/03/53/1054990353.db2.gz NHLUMAVFCLIBQA-CQSZACIVSA-N 1 0 339.414 4.185 20 10 EICDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877013854 1055001958 /nfs/dbraw/zinc/00/19/58/1055001958.db2.gz HWRXLBYUXLFBLI-HNNXBMFYSA-N 1 0 331.481 4.290 20 10 EICDRO Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c(O)c1 ZINC000877042097 1055005822 /nfs/dbraw/zinc/00/58/22/1055005822.db2.gz MPCDAWONNYJXPN-UHFFFAOYSA-N 1 0 331.843 4.150 20 10 EICDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825935149 1055024635 /nfs/dbraw/zinc/02/46/35/1055024635.db2.gz NWHKJDPYCIZDQM-OAHLLOKOSA-N 1 0 335.245 4.133 20 10 EICDRO CCSCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001202143308 1055049361 /nfs/dbraw/zinc/04/93/61/1055049361.db2.gz VPLRCZMKUUGRQQ-UHFFFAOYSA-N 1 0 340.536 4.482 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877492001 1055064448 /nfs/dbraw/zinc/06/44/48/1055064448.db2.gz ZIUCSNDFRWXRKI-UHFFFAOYSA-N 1 0 335.451 4.196 20 10 EICDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000776255727 1055086735 /nfs/dbraw/zinc/08/67/35/1055086735.db2.gz HKQPFCVYJWIGSK-ORAYPTAESA-N 1 0 349.858 4.228 20 10 EICDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000825987348 1055098617 /nfs/dbraw/zinc/09/86/17/1055098617.db2.gz UQVOMXLXLOSCPA-UHFFFAOYSA-N 1 0 334.803 4.287 20 10 EICDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756562 1055114332 /nfs/dbraw/zinc/11/43/32/1055114332.db2.gz SJOWMKUSPTZAQM-CYBMUJFWSA-N 1 0 339.414 4.185 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000877756312 1055115336 /nfs/dbraw/zinc/11/53/36/1055115336.db2.gz GLELBHFNDUZGGF-LBPRGKRZSA-N 1 0 335.831 4.304 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000765781586 1055289538 /nfs/dbraw/zinc/28/95/38/1055289538.db2.gz VLTCTMSAJOGCKB-UEXGIBASSA-N 1 0 337.511 4.239 20 10 EICDRO C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)ccc1O ZINC000186343079 1055369653 /nfs/dbraw/zinc/36/96/53/1055369653.db2.gz RXQDCDZXWGJFHN-CQSZACIVSA-N 1 0 346.471 4.253 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000785446826 1055679625 /nfs/dbraw/zinc/67/96/25/1055679625.db2.gz WQDXJKKKXAREEH-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000741754290 1058363074 /nfs/dbraw/zinc/36/30/74/1058363074.db2.gz NDYGRJMTYWHOCX-UHFFFAOYSA-N 1 0 348.494 4.399 20 10 EICDRO CC1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000742367223 1058575996 /nfs/dbraw/zinc/57/59/96/1058575996.db2.gz LEIGGNFYFLPPAG-GARNVTTQSA-N 1 0 334.479 4.108 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CCO)C(C)C)cc1 ZINC000742380826 1058581953 /nfs/dbraw/zinc/58/19/53/1058581953.db2.gz PSQAWXWEYFKXAK-JOCHJYFZSA-N 1 0 340.511 4.210 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1ccc(F)cc1 ZINC000742381586 1058583545 /nfs/dbraw/zinc/58/35/45/1058583545.db2.gz YFYWGIQEUXDTJZ-KRWDZBQOSA-N 1 0 342.458 4.373 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2OC)cc1 ZINC000742383184 1058583665 /nfs/dbraw/zinc/58/36/65/1058583665.db2.gz UVRUYGMTUQZMCQ-QGZVFWFLSA-N 1 0 342.483 4.099 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1ccc(F)cc1 ZINC000742381587 1058585574 /nfs/dbraw/zinc/58/55/74/1058585574.db2.gz YFYWGIQEUXDTJZ-QGZVFWFLSA-N 1 0 342.458 4.373 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000742372560 1058599438 /nfs/dbraw/zinc/59/94/38/1058599438.db2.gz CUWWSRJIYFHNIB-UHFFFAOYSA-N 1 0 331.843 4.150 20 10 EICDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(Cl)cc1 ZINC000742377653 1058602388 /nfs/dbraw/zinc/60/23/88/1058602388.db2.gz PFSSARRKEFNKCY-INIZCTEOSA-N 1 0 326.223 4.176 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)oc1ccccc12 ZINC000743404771 1058989084 /nfs/dbraw/zinc/98/90/84/1058989084.db2.gz CBIWHHDCODFBFG-UHFFFAOYSA-N 1 0 337.419 4.294 20 10 EICDRO CCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1O ZINC000743870555 1059189992 /nfs/dbraw/zinc/18/99/92/1059189992.db2.gz XHMQKUIXBMSPMH-UHFFFAOYSA-N 1 0 333.815 4.187 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870224 1059191400 /nfs/dbraw/zinc/19/14/00/1059191400.db2.gz MBWHMHUKGOHSHO-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO CCC[N@H+](CCOc1ccccc1OCC)Cc1ccccc1O ZINC000743869825 1059191582 /nfs/dbraw/zinc/19/15/82/1059191582.db2.gz BRQYLXIWYUDQGR-UHFFFAOYSA-N 1 0 329.440 4.082 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870175 1059192616 /nfs/dbraw/zinc/19/26/16/1059192616.db2.gz KJJBMVCBOONZAG-AWEZNQCLSA-N 1 0 346.858 4.285 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766487031 1060391368 /nfs/dbraw/zinc/39/13/68/1060391368.db2.gz BRDBAROIBSLUJF-DLBZAZTESA-N 1 0 341.474 4.493 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766539043 1060513711 /nfs/dbraw/zinc/51/37/11/1060513711.db2.gz UBXOKBULRRVAFX-SOLBZPMBSA-N 1 0 345.506 4.092 20 10 EICDRO C[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO[C@@H]1C1CC1 ZINC000767196196 1061142846 /nfs/dbraw/zinc/14/28/46/1061142846.db2.gz TULWBZZAHJTPIU-YADHBBJMSA-N 1 0 337.463 4.354 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000691441930 1061206081 /nfs/dbraw/zinc/20/60/81/1061206081.db2.gz YVIDHLZJIPPSPO-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CC[C@H]([NH2+]Cc1cnc(C)s1)c1cc(Br)ccc1O ZINC000040997429 522664608 /nfs/dbraw/zinc/66/46/08/522664608.db2.gz KXNDWZUSIHTXEV-ZDUSSCGKSA-N 1 0 341.274 4.161 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2cccc(Cl)c2OC)ccc1OC ZINC000897483271 1032085032 /nfs/dbraw/zinc/08/50/32/1032085032.db2.gz NPJUAOGIHMNLCR-UHFFFAOYSA-N 1 0 349.858 4.184 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCCO1 ZINC000529516341 1032414574 /nfs/dbraw/zinc/41/45/74/1032414574.db2.gz IRQVCEVDBZBSRZ-LJQANCHMSA-N 1 0 336.435 4.055 20 10 EICDRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000120914209 1032475559 /nfs/dbraw/zinc/47/55/59/1032475559.db2.gz UVKYLKXCBIZVIA-INIZCTEOSA-N 1 0 340.467 4.023 20 10 EICDRO COc1cccc(C[N@@H+](Cc2cc(OC)ccc2O)CC(C)C)c1 ZINC001204696642 1032608809 /nfs/dbraw/zinc/60/88/09/1032608809.db2.gz DJJZIKDNBWGLDY-UHFFFAOYSA-N 1 0 329.440 4.068 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000382435580 1019274323 /nfs/dbraw/zinc/27/43/23/1019274323.db2.gz VNCVOOCFSMGMES-VYDXJSESSA-N 1 0 348.487 4.126 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1O ZINC000274894773 1019840864 /nfs/dbraw/zinc/84/08/64/1019840864.db2.gz KCVNRDABCSVZFU-GOSISDBHSA-N 1 0 325.456 4.018 20 10 EICDRO C[C@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237469352 1032866681 /nfs/dbraw/zinc/86/66/81/1032866681.db2.gz XBNBEQITVMOXPD-RTBURBONSA-N 1 0 338.495 4.368 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1O ZINC000155190957 1020330947 /nfs/dbraw/zinc/33/09/47/1020330947.db2.gz LHEVVSODJQDRRM-IBGZPJMESA-N 1 0 339.483 4.409 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1O ZINC000155191066 1020331010 /nfs/dbraw/zinc/33/10/10/1020331010.db2.gz LHEVVSODJQDRRM-LJQANCHMSA-N 1 0 339.483 4.409 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1O ZINC000155273691 1020427860 /nfs/dbraw/zinc/42/78/60/1020427860.db2.gz HALLMNRPWZSPIW-IBGZPJMESA-N 1 0 338.451 4.150 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000155327142 1020488326 /nfs/dbraw/zinc/48/83/26/1020488326.db2.gz FAKUVDJYLCMPFQ-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000072727129 1021085133 /nfs/dbraw/zinc/08/51/33/1021085133.db2.gz LJQFSLXRJIWVLS-MRXNPFEDSA-N 1 0 336.435 4.120 20 10 EICDRO C[C@@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000310647539 1021386489 /nfs/dbraw/zinc/38/64/89/1021386489.db2.gz NWXWZZGPMYMXER-QRWLVFNGSA-N 1 0 348.487 4.080 20 10 EICDRO c1ccc2c(c1)CCSC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975342 1021836482 /nfs/dbraw/zinc/83/64/82/1021836482.db2.gz JWLBPHRKSUAMQS-NRFANRHFSA-N 1 0 338.520 4.407 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000177974537 1021836912 /nfs/dbraw/zinc/83/69/12/1021836912.db2.gz OYZWXUXGMSYEQJ-NRFANRHFSA-N 1 0 336.479 4.463 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(Br)ccc1O ZINC000386139611 1021944955 /nfs/dbraw/zinc/94/49/55/1021944955.db2.gz APNOSVZATUYXNR-XDTLVQLUSA-N 1 0 330.291 4.089 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Br)ccc1O ZINC000386139610 1021946150 /nfs/dbraw/zinc/94/61/50/1021946150.db2.gz APNOSVZATUYXNR-TVYUQYBPSA-N 1 0 330.291 4.089 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2Br)c(O)c1 ZINC000282436805 1021971488 /nfs/dbraw/zinc/97/14/88/1021971488.db2.gz MRJCDLOFXNXYNL-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)ccc1N(C)C ZINC001167722499 1022034113 /nfs/dbraw/zinc/03/41/13/1022034113.db2.gz VVVDOLFQKFIBQE-SFHVURJKSA-N 1 0 348.494 4.317 20 10 EICDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728301867 1022247953 /nfs/dbraw/zinc/24/79/53/1022247953.db2.gz PMZQJHLOLUYBIM-IEBWSBKVSA-N 1 0 334.479 4.111 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000780519436 1022258349 /nfs/dbraw/zinc/25/83/49/1022258349.db2.gz SNPJAEDUNFEWRD-UHFFFAOYSA-N 1 0 339.483 4.149 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1O ZINC000155838888 1022513192 /nfs/dbraw/zinc/51/31/92/1022513192.db2.gz GTNZANAZAMEABR-BLLLJJGKSA-N 1 0 333.403 4.350 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000310865915 1022529630 /nfs/dbraw/zinc/52/96/30/1022529630.db2.gz XOXZPQWUPGDGHT-JYJNAYRXSA-N 1 0 348.487 4.139 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(OCCOC)c2)cc1 ZINC000162998345 1022800374 /nfs/dbraw/zinc/80/03/74/1022800374.db2.gz KXASIXMUFOPRGO-QGZVFWFLSA-N 1 0 342.483 4.019 20 10 EICDRO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000363855218 1022857441 /nfs/dbraw/zinc/85/74/41/1022857441.db2.gz MWGYJAUREMSFCQ-WBMJQRKESA-N 1 0 331.387 4.023 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cc(C)cc32)c1 ZINC000363862415 1022866535 /nfs/dbraw/zinc/86/65/35/1022866535.db2.gz IWLUUXMBPJBOHP-RDTXWAMCSA-N 1 0 327.424 4.192 20 10 EICDRO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc2ccccc2c1O ZINC000185091114 1023006112 /nfs/dbraw/zinc/00/61/12/1023006112.db2.gz GOHYIZYHWOHXMY-OAHLLOKOSA-N 1 0 340.467 4.035 20 10 EICDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(Br)ccc1O ZINC000756534684 1023404136 /nfs/dbraw/zinc/40/41/36/1023404136.db2.gz MPQYXOVJAFDKBP-WCQYABFASA-N 1 0 332.241 4.145 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)cc1OC ZINC000190235809 1023464843 /nfs/dbraw/zinc/46/48/43/1023464843.db2.gz HGEJPYFFSNNOFB-GOSISDBHSA-N 1 0 341.451 4.310 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000191783297 1023575372 /nfs/dbraw/zinc/57/53/72/1023575372.db2.gz PTVRGVXZWBNKOT-ZDUSSCGKSA-N 1 0 341.407 4.315 20 10 EICDRO CCOCc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OC ZINC000051187313 1023647417 /nfs/dbraw/zinc/64/74/17/1023647417.db2.gz RJKTXEDCZCZQBR-UHFFFAOYSA-N 1 0 338.451 4.045 20 10 EICDRO CC[C@@H]([NH2+]CC1(SC)CC1)c1cc(Br)ccc1O ZINC000193824736 1023729682 /nfs/dbraw/zinc/72/96/82/1023729682.db2.gz KWMRELTXOBKQJW-GFCCVEGCSA-N 1 0 330.291 4.091 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)c1cccc(OC)c1 ZINC000891656493 1023853228 /nfs/dbraw/zinc/85/32/28/1023853228.db2.gz ABUYOUFMYAMUST-CQSZACIVSA-N 1 0 345.439 4.001 20 10 EICDRO CC[C@H]([NH2+]CCOC(C)(C)C)c1cc(Br)ccc1O ZINC000308693672 1024360253 /nfs/dbraw/zinc/36/02/53/1024360253.db2.gz NRFGLZOUYNFJSS-ZDUSSCGKSA-N 1 0 330.266 4.011 20 10 EICDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000162837381 1024945035 /nfs/dbraw/zinc/94/50/35/1024945035.db2.gz FWBOVBHTPIDVIO-UHFFFAOYSA-N 1 0 329.488 4.025 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1 ZINC000178502229 1025225613 /nfs/dbraw/zinc/22/56/13/1025225613.db2.gz HXXDDFSUUXIPOJ-GOSISDBHSA-N 1 0 348.494 4.238 20 10 EICDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000150982942 1025242438 /nfs/dbraw/zinc/24/24/38/1025242438.db2.gz PTCRZFZRAIBPFU-SFHVURJKSA-N 1 0 345.512 4.170 20 10 EICDRO COc1ccccc1[C@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000151115292 1025265116 /nfs/dbraw/zinc/26/51/16/1025265116.db2.gz KUFAFXNOTBIIMN-NRFANRHFSA-N 1 0 336.435 4.233 20 10 EICDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c(O)c1OC ZINC000894517635 1026120501 /nfs/dbraw/zinc/12/05/01/1026120501.db2.gz NCXHZRZLFDCWCO-KRWDZBQOSA-N 1 0 333.453 4.054 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000061556618 1026368356 /nfs/dbraw/zinc/36/83/56/1026368356.db2.gz DBKDXSLIOMTADB-UHFFFAOYSA-N 1 0 326.412 4.091 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cc(Br)ccc1O ZINC000062050871 1026391250 /nfs/dbraw/zinc/39/12/50/1026391250.db2.gz XITYGGOFMKXLFC-HNNXBMFYSA-N 1 0 335.245 4.099 20 10 EICDRO Cc1nnc([C@H](C)[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[nH]1 ZINC000894771580 1026413557 /nfs/dbraw/zinc/41/35/57/1026413557.db2.gz NYTULBPTYXDFDK-LBPRGKRZSA-N 1 0 344.503 4.265 20 10 EICDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000107821291 1026573083 /nfs/dbraw/zinc/57/30/83/1026573083.db2.gz LAOFEOMVJKXEHF-WOJBJXKFSA-N 1 0 330.516 4.218 20 10 EICDRO Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc[nH+]1 ZINC000302529026 1027328189 /nfs/dbraw/zinc/32/81/89/1027328189.db2.gz CEEITSSQKKHAQP-HNNXBMFYSA-N 1 0 333.382 4.072 20 10 EICDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695183 1027576796 /nfs/dbraw/zinc/57/67/96/1027576796.db2.gz IVUHZNCHBNXYAX-QZTJIDSGSA-N 1 0 340.515 4.169 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(Br)cn1 ZINC000280981229 1028325929 /nfs/dbraw/zinc/32/59/29/1028325929.db2.gz LZXLEBWYGGEVDH-UWVGGRQHSA-N 1 0 339.208 4.101 20 10 EICDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000281155349 1028419679 /nfs/dbraw/zinc/41/96/79/1028419679.db2.gz VKCJVHQJYSDXAM-BXKMTCNYSA-N 1 0 348.556 4.019 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000281195297 1028432352 /nfs/dbraw/zinc/43/23/52/1028432352.db2.gz RNZKLBFIRGCDFU-VXGBXAGGSA-N 1 0 335.245 4.270 20 10 EICDRO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000155806698 1028528677 /nfs/dbraw/zinc/52/86/77/1028528677.db2.gz IWBGLYPHCBGWHI-HNNXBMFYSA-N 1 0 325.437 4.152 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000944 1029655283 /nfs/dbraw/zinc/65/52/83/1029655283.db2.gz NBLIKNZOXXFDCY-HUUCEWRRSA-N 1 0 328.456 4.182 20 10 EICDRO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1O ZINC000185878883 1030236113 /nfs/dbraw/zinc/23/61/13/1030236113.db2.gz VMCKVCSDWBQXBU-KUHUBIRLSA-N 1 0 346.430 4.322 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000163377362 1030649794 /nfs/dbraw/zinc/64/97/94/1030649794.db2.gz XMCXZPNFKWGIOY-WFXMLNOXSA-N 1 0 330.516 4.269 20 10 EICDRO COc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccc2)c(O)c1OC ZINC000892415211 1030701326 /nfs/dbraw/zinc/70/13/26/1030701326.db2.gz DFJWLDHDUOWZPO-KRWDZBQOSA-N 1 0 329.440 4.286 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3Cl)CC2)cc1 ZINC000102432796 1030804086 /nfs/dbraw/zinc/80/40/86/1030804086.db2.gz PKWATIUDUHZACK-UHFFFAOYSA-N 1 0 330.859 4.107 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1 ZINC000527746261 1030839929 /nfs/dbraw/zinc/83/99/29/1030839929.db2.gz VAMPFGMUWHMBNI-UHFFFAOYSA-N 1 0 342.464 4.426 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)c(O)c1OC ZINC000892422528 1030854060 /nfs/dbraw/zinc/85/40/60/1030854060.db2.gz BUVJKSAMYOBUJZ-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179118610 1030888583 /nfs/dbraw/zinc/88/85/83/1030888583.db2.gz WTCNZAQDDDRUMT-CQSZACIVSA-N 1 0 345.874 4.063 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C2CC2)cn1 ZINC000528042632 1031055534 /nfs/dbraw/zinc/05/55/34/1031055534.db2.gz GDCVFNYAGCOAGO-ZMZPIMSZSA-N 1 0 332.831 4.251 20 10 EICDRO [O-]c1c(Br)cccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000725844473 1031629141 /nfs/dbraw/zinc/62/91/41/1031629141.db2.gz YUTHKRBONWLZNB-CQSZACIVSA-N 1 0 338.270 4.457 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(-c3cncnc3)cc2)c1 ZINC000359872941 1031894982 /nfs/dbraw/zinc/89/49/82/1031894982.db2.gz PWWGQTJCFWYCJU-CABCVRRESA-N 1 0 349.434 4.270 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C2CC(c3ccccc3OC)C2)c1O ZINC000359955502 1031899496 /nfs/dbraw/zinc/89/94/96/1031899496.db2.gz IOWOCGLWZLSFOB-UHFFFAOYSA-N 1 0 347.842 4.099 20 10 EICDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H](C)c3ccccc3O)cc2F)c1 ZINC000359998248 1031905764 /nfs/dbraw/zinc/90/57/64/1031905764.db2.gz WQCANTISKVZIHK-LSDHHAIUSA-N 1 0 339.414 4.437 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(Cl)c2OC)c1O ZINC000897481173 1031992118 /nfs/dbraw/zinc/99/21/18/1031992118.db2.gz AXGRGCYDBSJNDK-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)c1O ZINC000236933846 1033475882 /nfs/dbraw/zinc/47/58/82/1033475882.db2.gz JUXACJNJJSKUPK-INIZCTEOSA-N 1 0 329.440 4.496 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000894206010 1034718576 /nfs/dbraw/zinc/71/85/76/1034718576.db2.gz BNPMPMFPDADXEF-GOSISDBHSA-N 1 0 339.439 4.072 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C ZINC000029656448 1035734734 /nfs/dbraw/zinc/73/47/34/1035734734.db2.gz MZBSNDBAMYVXFR-OAQYLSRUSA-N 1 0 341.451 4.262 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000227435698 1035799673 /nfs/dbraw/zinc/79/96/73/1035799673.db2.gz DVRPCHGFMPAYDG-QGZVFWFLSA-N 1 0 332.241 4.396 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c1O ZINC000761197936 1036012740 /nfs/dbraw/zinc/01/27/40/1036012740.db2.gz HOVLUJNZJVLPNP-UHFFFAOYSA-N 1 0 344.842 4.442 20 10 EICDRO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC000761194245 1036017519 /nfs/dbraw/zinc/01/75/19/1036017519.db2.gz SBVFHASMHBDMBE-INIZCTEOSA-N 1 0 347.842 4.400 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1O ZINC000761201563 1036026598 /nfs/dbraw/zinc/02/65/98/1036026598.db2.gz BZMWKPRPKIFAOE-INIZCTEOSA-N 1 0 334.847 4.120 20 10 EICDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000761216168 1036155110 /nfs/dbraw/zinc/15/51/10/1036155110.db2.gz MQZCHLFUSAREHF-BTDLBPIBSA-N 1 0 341.785 4.190 20 10 EICDRO c1cncc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)c1 ZINC000906486945 1036293073 /nfs/dbraw/zinc/29/30/73/1036293073.db2.gz XZJDPXOPGZZNFT-UHFFFAOYSA-N 1 0 330.431 4.363 20 10 EICDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000156865043 1036463124 /nfs/dbraw/zinc/46/31/24/1036463124.db2.gz DJYYDVVDGIIAGG-OXJNMPFZSA-N 1 0 344.524 4.297 20 10 EICDRO CCc1ccc([C@@H](COC)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000165263824 1036742020 /nfs/dbraw/zinc/74/20/20/1036742020.db2.gz WGJAWWRLJAJGIW-RTBURBONSA-N 1 0 330.472 4.336 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(O)c1C ZINC000273415733 1037457110 /nfs/dbraw/zinc/45/71/10/1037457110.db2.gz QTRGDILGDUREBT-CABCVRRESA-N 1 0 327.424 4.192 20 10 EICDRO COCC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425205 1037459973 /nfs/dbraw/zinc/45/99/73/1037459973.db2.gz KBKFXELNVOHRNC-KDOFPFPSSA-N 1 0 329.440 4.292 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000273423775 1037461104 /nfs/dbraw/zinc/46/11/04/1037461104.db2.gz JSMQSBVROIOXHG-NYSBEXSLSA-N 1 0 342.458 4.463 20 10 EICDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CCO1 ZINC000273447926 1037468076 /nfs/dbraw/zinc/46/80/76/1037468076.db2.gz FOMVTVQHQJFZLU-RBOXIYTFSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000273457976 1037469585 /nfs/dbraw/zinc/46/95/85/1037469585.db2.gz HLBVGAUPSPJZRK-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000157362576 1037471513 /nfs/dbraw/zinc/47/15/13/1037471513.db2.gz PWHYZGUHYWLLIV-ROUUACIJSA-N 1 0 338.495 4.446 20 10 EICDRO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273462169 1037473512 /nfs/dbraw/zinc/47/35/12/1037473512.db2.gz CWLQBLYTTNQXAR-NSHDSACASA-N 1 0 343.298 4.367 20 10 EICDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000273483338 1037479740 /nfs/dbraw/zinc/47/97/40/1037479740.db2.gz MPHXJEISNIZTEF-SCLBCKFNSA-N 1 0 327.424 4.138 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c(O)c1C ZINC000273491564 1037481683 /nfs/dbraw/zinc/48/16/83/1037481683.db2.gz WWOYBWFISMSSNA-MRXNPFEDSA-N 1 0 335.451 4.260 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc2ccccc2c1O ZINC000273549124 1037502585 /nfs/dbraw/zinc/50/25/85/1037502585.db2.gz FPISRHIISAPGJW-NWDGAFQWSA-N 1 0 327.346 4.163 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560446 1037507849 /nfs/dbraw/zinc/50/78/49/1037507849.db2.gz HYMZKRNLISVZHI-IUODEOHRSA-N 1 0 348.878 4.165 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Br)cc1O ZINC000273612123 1037524000 /nfs/dbraw/zinc/52/40/00/1037524000.db2.gz WHPKBZPZGHAOID-MEBBXXQBSA-N 1 0 348.240 4.198 20 10 EICDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000273621348 1037526655 /nfs/dbraw/zinc/52/66/55/1037526655.db2.gz ZCPGJAQUSNWPEI-FOIQADDNSA-N 1 0 325.452 4.045 20 10 EICDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000171891090 1037760537 /nfs/dbraw/zinc/76/05/37/1037760537.db2.gz OCCICXFVMYQYHB-QGZVFWFLSA-N 1 0 328.481 4.155 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028890847 1037950186 /nfs/dbraw/zinc/95/01/86/1037950186.db2.gz LUWFCCBIGQZUGC-UHFFFAOYSA-N 1 0 332.447 4.395 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)cc(F)c1 ZINC000163611472 1038004562 /nfs/dbraw/zinc/00/45/62/1038004562.db2.gz PRJGXRAPVQKQKM-CQSZACIVSA-N 1 0 348.462 4.369 20 10 EICDRO CCC(CC)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063256022 1038142797 /nfs/dbraw/zinc/14/27/97/1038142797.db2.gz PWSTUMFBAOUHNI-FQEVSTJZSA-N 1 0 327.424 4.388 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000173331311 1038255935 /nfs/dbraw/zinc/25/59/35/1038255935.db2.gz PDNDAIRDXSTWEY-CQSZACIVSA-N 1 0 348.462 4.369 20 10 EICDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000151064819 1038629844 /nfs/dbraw/zinc/62/98/44/1038629844.db2.gz JDVZKWXIMGYZLS-QFIPXVFZSA-N 1 0 338.495 4.327 20 10 EICDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cncs3)cc2Cl)C1 ZINC000282078176 1038798570 /nfs/dbraw/zinc/79/85/70/1038798570.db2.gz QZAABEIGMJKSNO-ZDUSSCGKSA-N 1 0 335.904 4.323 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C)cc1O ZINC000280058466 1039373511 /nfs/dbraw/zinc/37/35/11/1039373511.db2.gz KEQXWWSWLCJCJJ-PIFXAOAFSA-N 1 0 331.481 4.240 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000479451084 1040359716 /nfs/dbraw/zinc/35/97/16/1040359716.db2.gz HIZIGYFPWVZDJX-IRXDYDNUSA-N 1 0 336.483 4.036 20 10 EICDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151537528 1040671301 /nfs/dbraw/zinc/67/13/01/1040671301.db2.gz DBXYQBKXPAXAMM-KXBFYZLASA-N 1 0 336.495 4.091 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1O ZINC000903312309 1041013864 /nfs/dbraw/zinc/01/38/64/1041013864.db2.gz UHSOBJRMRYGPEO-ZJUUUORDSA-N 1 0 341.274 4.331 20 10 EICDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293669451 1042293899 /nfs/dbraw/zinc/29/38/99/1042293899.db2.gz JIOUYPGHJMXRSL-HNNXBMFYSA-N 1 0 327.472 4.387 20 10 EICDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000029886163 1042429651 /nfs/dbraw/zinc/42/96/51/1042429651.db2.gz PRUHBVISIODULH-UHFFFAOYSA-N 1 0 334.847 4.076 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC000151623142 1042445030 /nfs/dbraw/zinc/44/50/30/1042445030.db2.gz MIZNKRBSEMPXCA-GOSISDBHSA-N 1 0 340.442 4.428 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1F ZINC000152194100 1042711330 /nfs/dbraw/zinc/71/13/30/1042711330.db2.gz TUWNCEYEZJWMAC-SFHVURJKSA-N 1 0 328.431 4.155 20 10 EICDRO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152600370 1042914306 /nfs/dbraw/zinc/91/43/06/1042914306.db2.gz KJHZHVCSOWSCHV-QFIPXVFZSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000766030028 1043065999 /nfs/dbraw/zinc/06/59/99/1043065999.db2.gz SNFRPMGPFJEJQH-OAHLLOKOSA-N 1 0 329.463 4.117 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765970795 1043555932 /nfs/dbraw/zinc/55/59/32/1043555932.db2.gz RBKNPUHFFDVQGW-KGLIPLIRSA-N 1 0 338.455 4.136 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000701094851 1043695334 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/nfs/dbraw/zinc/85/86/03/1045858603.db2.gz DTVQGQBRPHZOAH-QGZVFWFLSA-N 1 0 342.458 4.245 20 10 EICDRO c1ccc2c(c1)CC[C@@H]2[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000768937627 1045863398 /nfs/dbraw/zinc/86/33/98/1045863398.db2.gz VNKGABSGMQMCCP-QHCPKHFHSA-N 1 0 348.490 4.175 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000076074252 1045866824 /nfs/dbraw/zinc/86/68/24/1045866824.db2.gz NGSVSNBLXSDNCS-HNNXBMFYSA-N 1 0 337.423 4.415 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1O ZINC000792191951 1045876057 /nfs/dbraw/zinc/87/60/57/1045876057.db2.gz GMEHJMQNIKXEPD-HNNXBMFYSA-N 1 0 339.863 4.026 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000769086466 1045880903 /nfs/dbraw/zinc/88/09/03/1045880903.db2.gz LYIHKHAYGBZHFL-OAQYLSRUSA-N 1 0 336.479 4.106 20 10 EICDRO c1cc(N2CCCCC2)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000769207973 1045893917 /nfs/dbraw/zinc/89/39/17/1045893917.db2.gz HFDIZNZQMCDQNK-UHFFFAOYSA-N 1 0 341.543 4.127 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC000769384138 1045941473 /nfs/dbraw/zinc/94/14/73/1045941473.db2.gz LIOQASSXRJQFAB-UHFFFAOYSA-N 1 0 325.408 4.066 20 10 EICDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769419001 1045954778 /nfs/dbraw/zinc/95/47/78/1045954778.db2.gz XOLLHKKZWXOASO-HUUCEWRRSA-N 1 0 336.907 4.406 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1O ZINC000769426167 1045959476 /nfs/dbraw/zinc/95/94/76/1045959476.db2.gz NDHQXCIRXWFOHM-SFHVURJKSA-N 1 0 329.465 4.081 20 10 EICDRO COc1cccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)c1O ZINC000237402375 1045969407 /nfs/dbraw/zinc/96/94/07/1045969407.db2.gz QAMRUANIPQUQEU-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(O)c1 ZINC000769461915 1045983128 /nfs/dbraw/zinc/98/31/28/1045983128.db2.gz ZIQAQYRYQDMMAJ-FQEVSTJZSA-N 1 0 340.467 4.194 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000769501406 1045998052 /nfs/dbraw/zinc/99/80/52/1045998052.db2.gz IVLZEXCFSQGWHT-UHFFFAOYSA-N 1 0 337.463 4.450 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000769512601 1046004239 /nfs/dbraw/zinc/00/42/39/1046004239.db2.gz KSEGUGGLXOXLAW-OAHLLOKOSA-N 1 0 329.465 4.015 20 10 EICDRO Cc1cnc(CC[N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)s1 ZINC000769525306 1046005392 /nfs/dbraw/zinc/00/53/92/1046005392.db2.gz SHYGNUCOPYTNCS-UHFFFAOYSA-N 1 0 338.476 4.499 20 10 EICDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c(O)c1 ZINC000769538834 1046012539 /nfs/dbraw/zinc/01/25/39/1046012539.db2.gz XUJCDWJRECYRHM-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550416 1046018744 /nfs/dbraw/zinc/01/87/44/1046018744.db2.gz RWFSFEUWNFVOTN-ZIAGYGMSSA-N 1 0 344.318 4.261 20 10 EICDRO COc1cccc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)c1O ZINC000769559564 1046021221 /nfs/dbraw/zinc/02/12/21/1046021221.db2.gz OQZYCWQYWGFASM-UHFFFAOYSA-N 1 0 347.405 4.134 20 10 EICDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000769682644 1046037159 /nfs/dbraw/zinc/03/71/59/1046037159.db2.gz AGZLHVXHJFMMHL-VPWXQRGCSA-N 1 0 348.506 4.091 20 10 EICDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792929957 1046110091 /nfs/dbraw/zinc/11/00/91/1046110091.db2.gz FWMJRZSSKWKEOL-QZTJIDSGSA-N 1 0 348.506 4.091 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](c1ccccc1)N(C)C ZINC000769984986 1046121379 /nfs/dbraw/zinc/12/13/79/1046121379.db2.gz BOSDZYLJUKLZJX-KSMMKXTCSA-N 1 0 332.875 4.388 20 10 EICDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793001871 1046123271 /nfs/dbraw/zinc/12/32/71/1046123271.db2.gz RVKFZBVZQLIQRM-UHFFFAOYSA-N 1 0 346.437 4.050 20 10 EICDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769992797 1046123254 /nfs/dbraw/zinc/12/32/54/1046123254.db2.gz CYOOLKGLRPLOFG-INIZCTEOSA-N 1 0 334.479 4.019 20 10 EICDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793001763 1046123404 /nfs/dbraw/zinc/12/34/04/1046123404.db2.gz QTCDYNIOKMKBRJ-JSGCOSHPSA-N 1 0 332.435 4.145 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c(O)c1 ZINC000769989123 1046123876 /nfs/dbraw/zinc/12/38/76/1046123876.db2.gz PQVCRMZVSVRKMC-AWEZNQCLSA-N 1 0 326.415 4.225 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c(O)c1 ZINC000769989127 1046124056 /nfs/dbraw/zinc/12/40/56/1046124056.db2.gz PQVCRMZVSVRKMC-CQSZACIVSA-N 1 0 326.415 4.225 20 10 EICDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793037794 1046128314 /nfs/dbraw/zinc/12/83/14/1046128314.db2.gz LGIDSSLMXWEREX-YOEHRIQHSA-N 1 0 344.421 4.065 20 10 EICDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793082824 1046136848 /nfs/dbraw/zinc/13/68/48/1046136848.db2.gz YZJKGRVTPGGGAK-VIFPVBQESA-N 1 0 328.300 4.202 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000770281829 1046167522 /nfs/dbraw/zinc/16/75/22/1046167522.db2.gz XECXFKRNBDEBGY-KRWDZBQOSA-N 1 0 328.481 4.052 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000770289721 1046169037 /nfs/dbraw/zinc/16/90/37/1046169037.db2.gz GZQOYDCAZTZXCE-LRDDRELGSA-N 1 0 337.872 4.195 20 10 EICDRO COCCCC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000793232456 1046179236 /nfs/dbraw/zinc/17/92/36/1046179236.db2.gz LZALCMNIDVQZDJ-SFHVURJKSA-N 1 0 329.440 4.048 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1C ZINC000770327479 1046180804 /nfs/dbraw/zinc/18/08/04/1046180804.db2.gz QVNPADLIXGJWKC-UYAOXDASSA-N 1 0 343.467 4.470 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ncccc2O)cc1 ZINC000793255881 1046193139 /nfs/dbraw/zinc/19/31/39/1046193139.db2.gz DRUSLRYGHNBGRM-UHFFFAOYSA-N 1 0 347.462 4.104 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000793351991 1046223290 /nfs/dbraw/zinc/22/32/90/1046223290.db2.gz LJNSITSLLUWAEA-QAPCUYQASA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000793351990 1046224250 /nfs/dbraw/zinc/22/42/50/1046224250.db2.gz LJNSITSLLUWAEA-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000793384070 1046227401 /nfs/dbraw/zinc/22/74/01/1046227401.db2.gz RBYRHXNMKOQZOP-UHFFFAOYSA-N 1 0 329.440 4.215 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c(O)c1 ZINC000793387612 1046228947 /nfs/dbraw/zinc/22/89/47/1046228947.db2.gz ILSNSXBOXIEXPM-UHFFFAOYSA-N 1 0 335.403 4.063 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c2c1 ZINC000793522742 1046261824 /nfs/dbraw/zinc/26/18/24/1046261824.db2.gz FDHYBJZRBNJHSO-ZWKOTPCHSA-N 1 0 333.378 4.031 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000771400538 1046394547 /nfs/dbraw/zinc/39/45/47/1046394547.db2.gz YNSRVADOWGNQCB-KRWDZBQOSA-N 1 0 339.483 4.027 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000771400548 1046394681 /nfs/dbraw/zinc/39/46/81/1046394681.db2.gz YNSRVADOWGNQCB-QGZVFWFLSA-N 1 0 339.483 4.027 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@H](O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000771579622 1046448915 /nfs/dbraw/zinc/44/89/15/1046448915.db2.gz ZRQXEDQGHXUNJD-FQEVSTJZSA-N 1 0 344.886 4.104 20 10 EICDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000771891182 1046521621 /nfs/dbraw/zinc/52/16/21/1046521621.db2.gz ZBTAXGPQAGWCBF-FPOVZHCZSA-N 1 0 325.452 4.352 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)c2nccs2)c(C)n1-c1ccccc1 ZINC000772441176 1046635777 /nfs/dbraw/zinc/63/57/77/1046635777.db2.gz JRPLZKHRBYXZBD-HNNXBMFYSA-N 1 0 325.481 4.444 20 10 EICDRO CC(C)[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(N(C)C)cc1 ZINC000917075375 1046638950 /nfs/dbraw/zinc/63/89/50/1046638950.db2.gz UKYRFLOIDZKBKI-UHFFFAOYSA-N 1 0 348.494 4.349 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000785552840 1046710087 /nfs/dbraw/zinc/71/00/87/1046710087.db2.gz YLLDDQVDKROMTK-IBGZPJMESA-N 1 0 328.431 4.285 20 10 EICDRO CC(C)([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CCOCC1 ZINC000785606141 1046718698 /nfs/dbraw/zinc/71/86/98/1046718698.db2.gz KJWMFYHPQARGIC-UHFFFAOYSA-N 1 0 325.452 4.354 20 10 EICDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000786585857 1046850456 /nfs/dbraw/zinc/85/04/56/1046850456.db2.gz YWVRJNCZPJNKBN-APWZRJJASA-N 1 0 335.447 4.108 20 10 EICDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc3ccccc3c2O)c1 ZINC000786576374 1046852071 /nfs/dbraw/zinc/85/20/71/1046852071.db2.gz UBDKOJRPFXADOT-VQIMIIECSA-N 1 0 335.447 4.108 20 10 EICDRO Cc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1Br ZINC000786824342 1046875597 /nfs/dbraw/zinc/87/55/97/1046875597.db2.gz UZZOVRNEZWTJIW-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO c1coc(COCc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)c1 ZINC000917394900 1046861104 /nfs/dbraw/zinc/86/11/04/1046861104.db2.gz WGHGIEINEQTWLU-UHFFFAOYSA-N 1 0 349.430 4.221 20 10 EICDRO COc1ccc(C[NH2+]Cc2cccc(C)c2Br)cc1C ZINC000786822673 1046876489 /nfs/dbraw/zinc/87/64/89/1046876489.db2.gz BNXBCBQRKWGVHB-UHFFFAOYSA-N 1 0 334.257 4.364 20 10 EICDRO Cc1cscc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000786929693 1046888036 /nfs/dbraw/zinc/88/80/36/1046888036.db2.gz URWUWKZHFRGRRN-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1C ZINC000787040917 1046899381 /nfs/dbraw/zinc/89/93/81/1046899381.db2.gz ZLRJFLZTAOHMGQ-YVEFUNNKSA-N 1 0 337.822 4.186 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000917484683 1046907213 /nfs/dbraw/zinc/90/72/13/1046907213.db2.gz WCEKYPOHXCESGK-HXUWFJFHSA-N 1 0 343.854 4.108 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1ccc(Cl)cc1 ZINC000787302420 1046985617 /nfs/dbraw/zinc/98/56/17/1046985617.db2.gz LUCAXLZJMDDQRQ-MRXNPFEDSA-N 1 0 340.250 4.485 20 10 EICDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ccnn1C ZINC000788260250 1047145291 /nfs/dbraw/zinc/14/52/91/1047145291.db2.gz XIWPAOXQRRNOSS-HNAYVOBHSA-N 1 0 337.467 4.369 20 10 EICDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccnn1C ZINC000788259210 1047147777 /nfs/dbraw/zinc/14/77/77/1047147777.db2.gz LNUXNYGYHZWCFV-DNVCBOLYSA-N 1 0 341.499 4.095 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1[O-] ZINC000806130281 1047155781 /nfs/dbraw/zinc/15/57/81/1047155781.db2.gz USYCEZFPASYPTK-SFHVURJKSA-N 1 0 332.875 4.348 20 10 EICDRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000806173019 1047157059 /nfs/dbraw/zinc/15/70/59/1047157059.db2.gz DGEBFWNWXLYESM-AWEZNQCLSA-N 1 0 340.870 4.110 20 10 EICDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175964 1047162875 /nfs/dbraw/zinc/16/28/75/1047162875.db2.gz GPUMFPSTDAMNBP-LIRRHRJNSA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1[O-] ZINC000806141308 1047168767 /nfs/dbraw/zinc/16/87/67/1047168767.db2.gz IGDVUYVSEOVCPG-GOSISDBHSA-N 1 0 336.907 4.493 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806181565 1047193763 /nfs/dbraw/zinc/19/37/63/1047193763.db2.gz YBRYFVVKFDIHLT-FFSVYQOJSA-N 1 0 349.833 4.099 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)c(F)cc1[O-] ZINC000806178375 1047200393 /nfs/dbraw/zinc/20/03/93/1047200393.db2.gz FYSIEVFLZUATAL-UWVGGRQHSA-N 1 0 348.281 4.088 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788545873 1047221436 /nfs/dbraw/zinc/22/14/36/1047221436.db2.gz KGJKCNRHELKQOV-KRWDZBQOSA-N 1 0 329.875 4.358 20 10 EICDRO COc1ccc(OCCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788565216 1047224255 /nfs/dbraw/zinc/22/42/55/1047224255.db2.gz ZRJJIXDPDJWEHW-INIZCTEOSA-N 1 0 329.440 4.137 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)c1ccco1 ZINC000788569311 1047233142 /nfs/dbraw/zinc/23/31/42/1047233142.db2.gz FSCSSPKYDRIATG-DLBZAZTESA-N 1 0 330.472 4.336 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788593400 1047240791 /nfs/dbraw/zinc/24/07/91/1047240791.db2.gz PFUJFJNDFCETKL-INIZCTEOSA-N 1 0 347.865 4.497 20 10 EICDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593639 1047241461 /nfs/dbraw/zinc/24/14/61/1047241461.db2.gz HEVWHMDXGMMTQI-KGLIPLIRSA-N 1 0 344.421 4.182 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c(O)c1C ZINC000788619005 1047250011 /nfs/dbraw/zinc/25/00/11/1047250011.db2.gz CGSYZNKPEGGTPI-LDQXTDLNSA-N 1 0 327.468 4.418 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000788631866 1047256352 /nfs/dbraw/zinc/25/63/52/1047256352.db2.gz OITOPQUCCYDDJD-RVKKMQEKSA-N 1 0 331.431 4.311 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1 ZINC000788684341 1047261037 /nfs/dbraw/zinc/26/10/37/1047261037.db2.gz CAZGNJKLFAEDHR-SJKOYZFVSA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c(O)c1 ZINC000788669342 1047268899 /nfs/dbraw/zinc/26/88/99/1047268899.db2.gz ZGMMVEZADCZJHX-WBMJQRKESA-N 1 0 337.822 4.186 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000788757928 1047287834 /nfs/dbraw/zinc/28/78/34/1047287834.db2.gz NIKAKXKEBIBFIC-GRDNDAEWSA-N 1 0 345.405 4.143 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(-c2cccc(OC)c2)no1)c1ccccc1O ZINC000897842840 1047494083 /nfs/dbraw/zinc/49/40/83/1047494083.db2.gz ZVYRQWYMZMROFB-SFHVURJKSA-N 1 0 338.407 4.297 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cncs1 ZINC000897932554 1047502514 /nfs/dbraw/zinc/50/25/14/1047502514.db2.gz MZVVDOXLRVSOTI-SNVBAGLBSA-N 1 0 329.391 4.079 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897997569 1047520649 /nfs/dbraw/zinc/52/06/49/1047520649.db2.gz GZLQGWDVGOAFCK-LJQANCHMSA-N 1 0 328.456 4.371 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1O ZINC000897997568 1047521519 /nfs/dbraw/zinc/52/15/19/1047521519.db2.gz GZLQGWDVGOAFCK-IBGZPJMESA-N 1 0 328.456 4.371 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3c3cc(C)on3)c2c1 ZINC000747448178 1047586166 /nfs/dbraw/zinc/58/61/66/1047586166.db2.gz CLJGTYJAKBKYSK-LJQANCHMSA-N 1 0 338.407 4.188 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(O)cc1C ZINC000790462696 1047587719 /nfs/dbraw/zinc/58/77/19/1047587719.db2.gz YMEHANZBNHNQHN-OAHLLOKOSA-N 1 0 331.378 4.120 20 10 EICDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918764127 1047648764 /nfs/dbraw/zinc/64/87/64/1047648764.db2.gz WYODZWUKFBACGU-INIZCTEOSA-N 1 0 344.886 4.370 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000824339066 1047855816 /nfs/dbraw/zinc/85/58/16/1047855816.db2.gz NIXJTVRGYHYCSZ-UHFFFAOYSA-N 1 0 342.508 4.139 20 10 EICDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000824339383 1047856959 /nfs/dbraw/zinc/85/69/59/1047856959.db2.gz UQJNUDMRKXSJOC-APWZRJJASA-N 1 0 344.524 4.384 20 10 EICDRO Oc1ccc(F)cc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000814170269 1047873324 /nfs/dbraw/zinc/87/33/24/1047873324.db2.gz UCPAOHSQXPMKKK-RTWAWAEBSA-N 1 0 337.394 4.096 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H]2CSc3ccccc32)ccc1OC ZINC000824483227 1047873684 /nfs/dbraw/zinc/87/36/84/1047873684.db2.gz JGNFKEDJKCFOIP-KRWDZBQOSA-N 1 0 343.492 4.211 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c1 ZINC000808435840 1047900530 /nfs/dbraw/zinc/90/05/30/1047900530.db2.gz YWSLVRVQDDZNME-UHFFFAOYSA-N 1 0 328.456 4.200 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824926826 1047995986 /nfs/dbraw/zinc/99/59/86/1047995986.db2.gz HXENCMZUIBHOPM-PBHICJAKSA-N 1 0 335.831 4.035 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(C(F)(F)F)cc1O ZINC000825004937 1048011182 /nfs/dbraw/zinc/01/11/82/1048011182.db2.gz AKMRDNPNUSELJK-BXUZGUMPSA-N 1 0 341.377 4.429 20 10 EICDRO CCc1ncc(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)o1 ZINC000825079186 1048034000 /nfs/dbraw/zinc/03/40/00/1048034000.db2.gz NHJYLBSTBZCYQI-CYBMUJFWSA-N 1 0 328.334 4.202 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000825144914 1048041674 /nfs/dbraw/zinc/04/16/74/1048041674.db2.gz UASUXQLINDVDMJ-HNNXBMFYSA-N 1 0 336.204 4.071 20 10 EICDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808673653 1048045519 /nfs/dbraw/zinc/04/55/19/1048045519.db2.gz RMWPJSHLOCQIBC-ZDUSSCGKSA-N 1 0 343.858 4.363 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1OC ZINC000808677870 1048049281 /nfs/dbraw/zinc/04/92/81/1048049281.db2.gz GJLFUFJUTGXXMO-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808678542 1048049550 /nfs/dbraw/zinc/04/95/50/1048049550.db2.gz SWIZBWMEHUMZKU-AWEZNQCLSA-N 1 0 347.890 4.446 20 10 EICDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000825215156 1048050000 /nfs/dbraw/zinc/05/00/00/1048050000.db2.gz OUMYHBDTMBLAEO-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000808707069 1048053526 /nfs/dbraw/zinc/05/35/26/1048053526.db2.gz ZPNCDGZDHBMUJR-VNBZBWLYSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)CC2)n1 ZINC000808706476 1048054248 /nfs/dbraw/zinc/05/42/48/1048054248.db2.gz KYPFVTDABPUHSX-ZOODHJKOSA-N 1 0 349.862 4.422 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000825240141 1048057862 /nfs/dbraw/zinc/05/78/62/1048057862.db2.gz DLOLYRPQIMEJES-HNNXBMFYSA-N 1 0 336.204 4.071 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1Cl ZINC000825254639 1048060948 /nfs/dbraw/zinc/06/09/48/1048060948.db2.gz TWWCMZKAQNODNU-UHFFFAOYSA-N 1 0 341.785 4.288 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000808718179 1048065448 /nfs/dbraw/zinc/06/54/48/1048065448.db2.gz QCVYTKATPUTABC-GFCCVEGCSA-N 1 0 329.831 4.124 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000808719996 1048069471 /nfs/dbraw/zinc/06/94/71/1048069471.db2.gz ZNQYAZSAMAHIDA-VHSXEESVSA-N 1 0 326.774 4.439 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000808695277 1048075769 /nfs/dbraw/zinc/07/57/69/1048075769.db2.gz KLZHTBODDKCBJQ-MNOVXSKESA-N 1 0 345.830 4.348 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cc1Cl ZINC000825396575 1048087478 /nfs/dbraw/zinc/08/74/78/1048087478.db2.gz VBIIPCVFAOTIRL-XHDPSFHLSA-N 1 0 325.861 4.017 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000825526387 1048111319 /nfs/dbraw/zinc/11/13/19/1048111319.db2.gz RASZUASHRDCATB-LPHOPBHVSA-N 1 0 331.843 4.364 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1O ZINC000155159447 1048382514 /nfs/dbraw/zinc/38/25/14/1048382514.db2.gz KCBUFHCUQIEHAF-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CCC2 ZINC001171136819 1048410241 /nfs/dbraw/zinc/41/02/41/1048410241.db2.gz WPNWSHBQXSPEMT-GOSISDBHSA-N 1 0 343.854 4.057 20 10 EICDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)c1O ZINC001171146395 1048457465 /nfs/dbraw/zinc/45/74/65/1048457465.db2.gz CEDHMNJTGGJPRO-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000809699832 1048464786 /nfs/dbraw/zinc/46/47/86/1048464786.db2.gz XNNHYNRSAGJGPM-JOCHJYFZSA-N 1 0 333.431 4.128 20 10 EICDRO CC(C)c1cnc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809713078 1048490277 /nfs/dbraw/zinc/49/02/77/1048490277.db2.gz HUBUOBIIFVMNQD-UHFFFAOYSA-N 1 0 341.274 4.024 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000815563512 1048509598 /nfs/dbraw/zinc/50/95/98/1048509598.db2.gz FSZFIAZUAQHOPD-KRWDZBQOSA-N 1 0 336.479 4.251 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1O ZINC000809740433 1048512841 /nfs/dbraw/zinc/51/28/41/1048512841.db2.gz YQWYXHZRUPCSOW-KGYLQXTDSA-N 1 0 337.872 4.398 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1O ZINC000809740359 1048513189 /nfs/dbraw/zinc/51/31/89/1048513189.db2.gz VIWIMLSHOWHZHW-UHFFFAOYSA-N 1 0 325.364 4.076 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(C(=O)OC)cc1 ZINC000815580086 1048520936 /nfs/dbraw/zinc/52/09/36/1048520936.db2.gz BVBKYNGZDYCNHE-HXUWFJFHSA-N 1 0 340.467 4.089 20 10 EICDRO C[C@@H]1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585172 1048523700 /nfs/dbraw/zinc/52/37/00/1048523700.db2.gz ZZFQUPUZZPGZBZ-NQIIRXRSSA-N 1 0 338.495 4.140 20 10 EICDRO C[C@@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCO1 ZINC000815590532 1048527808 /nfs/dbraw/zinc/52/78/08/1048527808.db2.gz ZBDFGQNTSWSQTA-SLYNCCJLSA-N 1 0 339.479 4.471 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H](CC)c2ccccc2OC)c1O ZINC000809780616 1048529168 /nfs/dbraw/zinc/52/91/68/1048529168.db2.gz DOMGVBZEGFOLJC-QGZVFWFLSA-N 1 0 329.440 4.383 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)c(O)c1 ZINC000815595821 1048529388 /nfs/dbraw/zinc/52/93/88/1048529388.db2.gz CIYBPYIEKXPVFI-SNVBAGLBSA-N 1 0 327.321 4.416 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CC)c2ccccc2OC)c1 ZINC000809781151 1048530034 /nfs/dbraw/zinc/53/00/34/1048530034.db2.gz PGNWIXWYWCMDBJ-SFHVURJKSA-N 1 0 329.440 4.383 20 10 EICDRO CCOc1cccc(CN2CCCn3c(cc4ccccc43)C2)c1O ZINC000809783354 1048530958 /nfs/dbraw/zinc/53/09/58/1048530958.db2.gz ZNAWGZXKTIFWRG-UHFFFAOYSA-N 1 0 336.435 4.152 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCCCC1 ZINC000815572371 1048534518 /nfs/dbraw/zinc/53/45/18/1048534518.db2.gz BIWVQIRENNTPDF-HXUWFJFHSA-N 1 0 339.479 4.351 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)c1cccc(Cl)c1 ZINC000809792915 1048537116 /nfs/dbraw/zinc/53/71/16/1048537116.db2.gz KXYQNQLJWQNOBQ-MRXNPFEDSA-N 1 0 340.250 4.485 20 10 EICDRO CCOC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815618045 1048544605 /nfs/dbraw/zinc/54/46/05/1048544605.db2.gz CGMXVNLCNRNVSM-IBGZPJMESA-N 1 0 327.468 4.471 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815627482 1048550408 /nfs/dbraw/zinc/55/04/08/1048550408.db2.gz BWULJVCHTVOYAM-DLBZAZTESA-N 1 0 342.458 4.325 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC000815659986 1048561118 /nfs/dbraw/zinc/56/11/18/1048561118.db2.gz PHDUZVFUKFDEAN-KBXCAEBGSA-N 1 0 330.497 4.068 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N(C)C)cc1 ZINC000815660186 1048561263 /nfs/dbraw/zinc/56/12/63/1048561263.db2.gz UBDWRWWSTMKXOJ-HNAYVOBHSA-N 1 0 344.524 4.376 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1 ZINC000815645208 1048571385 /nfs/dbraw/zinc/57/13/85/1048571385.db2.gz XZHUFPIIZCUVIV-ZDUSSCGKSA-N 1 0 338.373 4.316 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649821 1048574684 /nfs/dbraw/zinc/57/46/84/1048574684.db2.gz ZSMQUIJYNBXYKE-RMLUDKJBSA-N 1 0 325.305 4.287 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC(C)=C[C@@H](C)C3)CC2)cc1 ZINC000810141902 1048645798 /nfs/dbraw/zinc/64/57/98/1048645798.db2.gz OVRYVJAXEAPGFZ-SJLPKXTDSA-N 1 0 328.500 4.246 20 10 EICDRO CC[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810215914 1048684615 /nfs/dbraw/zinc/68/46/15/1048684615.db2.gz ONQRGSRNBAIAPR-ZDUSSCGKSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810215217 1048684704 /nfs/dbraw/zinc/68/47/04/1048684704.db2.gz AMJBNRHINMGZKE-ZUZCIYMTSA-N 1 0 341.377 4.255 20 10 EICDRO CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(C(F)(F)F)cc1O ZINC000810217188 1048686732 /nfs/dbraw/zinc/68/67/32/1048686732.db2.gz XXTJEFMWBLZTHO-GFCCVEGCSA-N 1 0 330.375 4.417 20 10 EICDRO Oc1cc(O)c(C[N@H+](Cc2ccccc2)C2CCCCC2)c(O)c1 ZINC001144504607 1048701324 /nfs/dbraw/zinc/70/13/24/1048701324.db2.gz WZJZSYVKLFNRLT-UHFFFAOYSA-N 1 0 327.424 4.138 20 10 EICDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000810259727 1048712253 /nfs/dbraw/zinc/71/22/53/1048712253.db2.gz QWRSLTXACPTNSW-HNAYVOBHSA-N 1 0 334.479 4.018 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1F)c1ccc(C(F)(F)F)cc1O ZINC000810238162 1048718478 /nfs/dbraw/zinc/71/84/78/1048718478.db2.gz NLEYQBMFEWCHRK-ZDUSSCGKSA-N 1 0 328.309 4.186 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810240827 1048723619 /nfs/dbraw/zinc/72/36/19/1048723619.db2.gz GRLZYIFLNRHCQO-HUBLWGQQSA-N 1 0 331.378 4.124 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(Cl)ccc1O ZINC000810253478 1048732779 /nfs/dbraw/zinc/73/27/79/1048732779.db2.gz VBNDFHLCELRAGS-GTNSWQLSSA-N 1 0 337.872 4.246 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000845971871 1048771230 /nfs/dbraw/zinc/77/12/30/1048771230.db2.gz GFDGYOOELMEJPF-SNVBAGLBSA-N 1 0 343.395 4.300 20 10 EICDRO CCOc1c(Cl)cccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972836 1048772723 /nfs/dbraw/zinc/77/27/23/1048772723.db2.gz VCXDXMBLYLNMOJ-GFCCVEGCSA-N 1 0 335.831 4.304 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1O ZINC000846111171 1048815917 /nfs/dbraw/zinc/81/59/17/1048815917.db2.gz SFTWWURCYAPNAC-JTQLQIEISA-N 1 0 338.662 4.118 20 10 EICDRO c1cc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2s1 ZINC000845997315 1048793043 /nfs/dbraw/zinc/79/30/43/1048793043.db2.gz LKNNOGGLNLAHJD-UHFFFAOYSA-N 1 0 338.476 4.028 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)COC)cc1 ZINC000920868495 1048806224 /nfs/dbraw/zinc/80/62/24/1048806224.db2.gz YHCMPTLANSRNRA-GOSISDBHSA-N 1 0 326.484 4.085 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c(O)c1 ZINC000846053957 1048807438 /nfs/dbraw/zinc/80/74/38/1048807438.db2.gz ZJUXDCYASLXPBI-QGZVFWFLSA-N 1 0 345.414 4.322 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051604 1048807513 /nfs/dbraw/zinc/80/75/13/1048807513.db2.gz HBJCACMIKWFTFK-YVEFUNNKSA-N 1 0 345.414 4.493 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CCSCC2)c1O ZINC000779025620 1048811119 /nfs/dbraw/zinc/81/11/19/1048811119.db2.gz TYALMEQFCBJOAR-NSHDSACASA-N 1 0 344.318 4.257 20 10 EICDRO CN(Cc1nc2ccccc2s1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482714 1048812673 /nfs/dbraw/zinc/81/26/73/1048812673.db2.gz PWHRPXSZUGVGBR-UHFFFAOYSA-N 1 0 336.819 4.426 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)c1O ZINC000846135045 1048820434 /nfs/dbraw/zinc/82/04/34/1048820434.db2.gz AHTJLOPZQYIXPR-GUYCJALGSA-N 1 0 348.874 4.008 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000920956730 1048820638 /nfs/dbraw/zinc/82/06/38/1048820638.db2.gz RKISTUNUGOTPPD-NRFANRHFSA-N 1 0 343.490 4.064 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)ccc2ccccc21 ZINC000816516502 1048823793 /nfs/dbraw/zinc/82/37/93/1048823793.db2.gz HLSSEAGQDKVUOG-SFHVURJKSA-N 1 0 325.433 4.180 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)c1O ZINC000846159542 1048826267 /nfs/dbraw/zinc/82/62/67/1048826267.db2.gz HINXJKHUIBWNIM-LBPRGKRZSA-N 1 0 333.378 4.409 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c(C)c1 ZINC000846166710 1048827565 /nfs/dbraw/zinc/82/75/65/1048827565.db2.gz NFUSCRXJJRYIHM-OAHLLOKOSA-N 1 0 329.440 4.349 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccc4ccccc4c3O)ccc21 ZINC000816542843 1048827583 /nfs/dbraw/zinc/82/75/83/1048827583.db2.gz CTQNNAGHTHETLG-UHFFFAOYSA-N 1 0 332.447 4.218 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCc2c[nH]c3ccc(F)cc23)c1O ZINC000846168335 1048828077 /nfs/dbraw/zinc/82/80/77/1048828077.db2.gz SMSVBCQACRUYMK-CYBMUJFWSA-N 1 0 342.414 4.305 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169160 1048828195 /nfs/dbraw/zinc/82/81/95/1048828195.db2.gz PIOYZSGXJYCUPS-NOZJJQNGSA-N 1 0 337.341 4.156 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167121 1048828402 /nfs/dbraw/zinc/82/84/02/1048828402.db2.gz GSEXLCCRVJGVAJ-RKDXNWHRSA-N 1 0 346.374 4.288 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169161 1048828604 /nfs/dbraw/zinc/82/86/04/1048828604.db2.gz PIOYZSGXJYCUPS-RNCFNFMXSA-N 1 0 337.341 4.156 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1O ZINC000846168839 1048828727 /nfs/dbraw/zinc/82/87/27/1048828727.db2.gz MPLUGNXUJXGJRZ-WOSRLPQWSA-N 1 0 333.453 4.033 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000846172328 1048829011 /nfs/dbraw/zinc/82/90/11/1048829011.db2.gz LEZOGOCNKLZMGL-CVEARBPZSA-N 1 0 342.483 4.057 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000846172333 1048829886 /nfs/dbraw/zinc/82/98/86/1048829886.db2.gz LEZOGOCNKLZMGL-JKSUJKDBSA-N 1 0 342.483 4.057 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000846140243 1048830141 /nfs/dbraw/zinc/83/01/41/1048830141.db2.gz KTZBTIXYJYPLAK-NEPJUHHUSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141207 1048830784 /nfs/dbraw/zinc/83/07/84/1048830784.db2.gz FYVSGTXJNUZMRT-NHYWBVRUSA-N 1 0 333.815 4.229 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141210 1048830867 /nfs/dbraw/zinc/83/08/67/1048830867.db2.gz FYVSGTXJNUZMRT-XHDPSFHLSA-N 1 0 333.815 4.229 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3s2)c1O ZINC000846144312 1048831633 /nfs/dbraw/zinc/83/16/33/1048831633.db2.gz KHNOPYPUZNWDST-VXGBXAGGSA-N 1 0 328.437 4.422 20 10 EICDRO Oc1c(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)ccc2ccccc12 ZINC000816553395 1048831930 /nfs/dbraw/zinc/83/19/30/1048831930.db2.gz UHHBOSDRJVGSMB-KRWDZBQOSA-N 1 0 345.801 4.161 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1F ZINC000846148084 1048833185 /nfs/dbraw/zinc/83/31/85/1048833185.db2.gz XCMZXHSILUVCIG-CQSZACIVSA-N 1 0 346.446 4.237 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208152 1048833488 /nfs/dbraw/zinc/83/34/88/1048833488.db2.gz WBPFJRGVVGQTCT-YLJYHZDGSA-N 1 0 349.478 4.377 20 10 EICDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000816559017 1048835935 /nfs/dbraw/zinc/83/59/35/1048835935.db2.gz UXLZEHNBCGXQHC-FQEVSTJZSA-N 1 0 346.430 4.133 20 10 EICDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc3ccccc3c2O)c(C)c1 ZINC000816560969 1048835949 /nfs/dbraw/zinc/83/59/49/1048835949.db2.gz HDWYBAUAJHJWAF-UHFFFAOYSA-N 1 0 348.446 4.199 20 10 EICDRO Oc1c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)ccc2ccccc21 ZINC000816558643 1048835999 /nfs/dbraw/zinc/83/59/99/1048835999.db2.gz IAPSPUINITVFRE-QGZVFWFLSA-N 1 0 343.492 4.080 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1ccc([S@@](C)=O)cc1 ZINC000816559397 1048836145 /nfs/dbraw/zinc/83/61/45/1048836145.db2.gz JBKCAMOXHUIUIW-LFPIHBKWSA-N 1 0 339.460 4.134 20 10 EICDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182972 1048836144 /nfs/dbraw/zinc/83/61/44/1048836144.db2.gz MNUIMUGUGCCUFI-DGCWBMGLSA-N 1 0 343.442 4.183 20 10 EICDRO Oc1c(C[NH2+]CCc2ccc(F)c(F)c2F)ccc2ccccc21 ZINC000816568025 1048836483 /nfs/dbraw/zinc/83/64/83/1048836483.db2.gz ULHZMIFVRQEIAP-UHFFFAOYSA-N 1 0 331.337 4.295 20 10 EICDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816564797 1048836637 /nfs/dbraw/zinc/83/66/37/1048836637.db2.gz QEMPQOYRQHFGBI-UHFFFAOYSA-N 1 0 336.435 4.408 20 10 EICDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc2ccccc2c1O ZINC000846187073 1048836760 /nfs/dbraw/zinc/83/67/60/1048836760.db2.gz HXYDTTKVLJCLIV-JLTOFOAXSA-N 1 0 325.452 4.401 20 10 EICDRO COc1c(C)cnc(C[N@H+](C)Cc2ccc3ccccc3c2O)c1C ZINC000816568762 1048836791 /nfs/dbraw/zinc/83/67/91/1048836791.db2.gz PQVLOHZJEKWYBS-UHFFFAOYSA-N 1 0 336.435 4.198 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1O ZINC000846201280 1048841340 /nfs/dbraw/zinc/84/13/40/1048841340.db2.gz NCZXJQXEKWSXHX-DWQUBVKVSA-N 1 0 332.831 4.012 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817412133 1048964807 /nfs/dbraw/zinc/96/48/07/1048964807.db2.gz DKJYTATVBKJWLX-SNVBAGLBSA-N 1 0 337.769 4.219 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000817415731 1048966797 /nfs/dbraw/zinc/96/67/97/1048966797.db2.gz XQHKBXPYXABGFQ-GZBFAFLISA-N 1 0 331.378 4.409 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc(C)n1 ZINC000817590463 1049018752 /nfs/dbraw/zinc/01/87/52/1049018752.db2.gz XNXKPNXOZBJTKP-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1O ZINC000817586791 1049019519 /nfs/dbraw/zinc/01/95/19/1049019519.db2.gz SGXIZZYSARZBBU-NFAWXSAZSA-N 1 0 342.277 4.153 20 10 EICDRO C[C@H]1C[C@@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942497 1049060498 /nfs/dbraw/zinc/06/04/98/1049060498.db2.gz PANPIQZZWQOHRS-AFAVFJNCSA-N 1 0 347.553 4.029 20 10 EICDRO Cc1c2ccccc2oc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938600 1049062410 /nfs/dbraw/zinc/06/24/10/1049062410.db2.gz ODJKGUVOGQHGJF-HNAYVOBHSA-N 1 0 337.467 4.158 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817956929 1049066021 /nfs/dbraw/zinc/06/60/21/1049066021.db2.gz GBMDONSBPONQFT-NHYWBVRUSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1Br ZINC000817955724 1049067158 /nfs/dbraw/zinc/06/71/58/1049067158.db2.gz GEMDBGTVZAQVCZ-NSHDSACASA-N 1 0 337.236 4.064 20 10 EICDRO Nc1ccc(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)cc1 ZINC000817955647 1049067384 /nfs/dbraw/zinc/06/73/84/1049067384.db2.gz DQAOAJZMJZELMH-GOSISDBHSA-N 1 0 345.284 4.315 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974852 1049074632 /nfs/dbraw/zinc/07/46/32/1049074632.db2.gz GRHBIOKLGIQPHP-AUUYWEPGSA-N 1 0 339.483 4.288 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976065 1049075720 /nfs/dbraw/zinc/07/57/20/1049075720.db2.gz UUEXBBMORTYPNV-SRVKXCTJSA-N 1 0 331.287 4.115 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(F)ccc3F)C2)cc1 ZINC000818116678 1049090885 /nfs/dbraw/zinc/09/08/85/1049090885.db2.gz OIKMUUGPZLUGTC-HUUCEWRRSA-N 1 0 346.421 4.151 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccs1 ZINC000818345766 1049138972 /nfs/dbraw/zinc/13/89/72/1049138972.db2.gz XQOGUCHDFCBHFJ-YJBOKZPZSA-N 1 0 330.497 4.324 20 10 EICDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781165 1049262862 /nfs/dbraw/zinc/26/28/62/1049262862.db2.gz ZFQIASWOEGPDNC-PKOBYXMFSA-N 1 0 347.499 4.088 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C(C)C ZINC000811789497 1049277866 /nfs/dbraw/zinc/27/78/66/1049277866.db2.gz CYAKVMXVWKNQTB-UXHICEINSA-N 1 0 329.484 4.358 20 10 EICDRO CC(C)(C)[PH+](CCCNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC001148225879 1049283395 /nfs/dbraw/zinc/28/33/95/1049283395.db2.gz VUZONPOWRDDZOX-UHFFFAOYSA-N 1 0 339.416 4.297 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(N(C)C)cc1 ZINC001170668367 1049387838 /nfs/dbraw/zinc/38/78/38/1049387838.db2.gz HCGGADZZYOJSBR-SUMWQHHRSA-N 1 0 330.422 4.239 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000773009854 1049524392 /nfs/dbraw/zinc/52/43/92/1049524392.db2.gz DBZAKLNDUVVMOK-AUUYWEPGSA-N 1 0 332.875 4.180 20 10 EICDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050961 1049554480 /nfs/dbraw/zinc/55/44/80/1049554480.db2.gz VWMLSLMQKPJMMH-VQIMIIECSA-N 1 0 344.524 4.431 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000812772313 1049570253 /nfs/dbraw/zinc/57/02/53/1049570253.db2.gz KLSHHQNDJNUVLP-AWEZNQCLSA-N 1 0 348.849 4.109 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773096977 1049580148 /nfs/dbraw/zinc/58/01/48/1049580148.db2.gz FAABCJZVRVHPJX-RTWAWAEBSA-N 1 0 338.495 4.307 20 10 EICDRO CCOC(=O)CCC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000747816410 1049580329 /nfs/dbraw/zinc/58/03/29/1049580329.db2.gz FBKWYNUTEMIUFQ-UHFFFAOYSA-N 1 0 341.451 4.101 20 10 EICDRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773107616 1049587167 /nfs/dbraw/zinc/58/71/67/1049587167.db2.gz YSFYCKJOUXCSFP-KRWDZBQOSA-N 1 0 341.474 4.413 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccns1)c1cc(Br)ccc1O ZINC000715992944 1049666413 /nfs/dbraw/zinc/66/64/13/1049666413.db2.gz HGOZYPLNBBKPFG-SKDRFNHKSA-N 1 0 341.274 4.413 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000037363175 1049702933 /nfs/dbraw/zinc/70/29/33/1049702933.db2.gz XAUWBFHUKNFCLT-GFCCVEGCSA-N 1 0 332.241 4.235 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001171630586 1049761665 /nfs/dbraw/zinc/76/16/65/1049761665.db2.gz AVMBSCODFPYJOZ-OAQYLSRUSA-N 1 0 328.500 4.068 20 10 EICDRO Oc1c(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000822530268 1049767063 /nfs/dbraw/zinc/76/70/63/1049767063.db2.gz WAQDRHNIKIUFAN-OAQYLSRUSA-N 1 0 337.463 4.327 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529796 1049768867 /nfs/dbraw/zinc/76/88/67/1049768867.db2.gz JGNHKDVSERMQPB-VEBBDIFPSA-N 1 0 340.511 4.047 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000813884586 1049831723 /nfs/dbraw/zinc/83/17/23/1049831723.db2.gz XGAOFNSCJUDCHC-MAUKXSAKSA-N 1 0 328.431 4.159 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000823437398 1049846330 /nfs/dbraw/zinc/84/63/30/1049846330.db2.gz MOOCIIITMBQZHA-GOSISDBHSA-N 1 0 344.524 4.243 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000772876750 1049883321 /nfs/dbraw/zinc/88/33/21/1049883321.db2.gz FLHDIDMGLQRROV-CQSZACIVSA-N 1 0 336.426 4.179 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccc(N(C)C)cc1 ZINC000824195468 1049905317 /nfs/dbraw/zinc/90/53/17/1049905317.db2.gz GFPSDACWJLWNAF-INIZCTEOSA-N 1 0 340.467 4.155 20 10 EICDRO Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(C(F)(F)F)c1 ZINC001177268224 1050183355 /nfs/dbraw/zinc/18/33/55/1050183355.db2.gz RSJHAXBNXSTBRD-UHFFFAOYSA-N 1 0 339.332 4.459 20 10 EICDRO CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177334727 1050195176 /nfs/dbraw/zinc/19/51/76/1050195176.db2.gz YOLLZSBFHNTNSN-MJGOQNOKSA-N 1 0 348.506 4.357 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)COc2cccc(F)c2)cc1 ZINC001177446309 1050222161 /nfs/dbraw/zinc/22/21/61/1050222161.db2.gz HUQOLVONWPJBFU-MRXNPFEDSA-N 1 0 330.447 4.229 20 10 EICDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001177553939 1050238858 /nfs/dbraw/zinc/23/88/58/1050238858.db2.gz GQVTXBGBERDJEO-CYBMUJFWSA-N 1 0 334.410 4.280 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079052 1050295109 /nfs/dbraw/zinc/29/51/09/1050295109.db2.gz VDPFXCFODKBTHE-RDJZCZTQSA-N 1 0 348.487 4.002 20 10 EICDRO CCCOC1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173100044 1050325215 /nfs/dbraw/zinc/32/52/15/1050325215.db2.gz ZQAIHTSGQAEMIE-UHFFFAOYSA-N 1 0 330.516 4.456 20 10 EICDRO CCCCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1(C)C ZINC001177962600 1050331685 /nfs/dbraw/zinc/33/16/85/1050331685.db2.gz RQAICKGZMOGJFO-MQFDZRFESA-N 1 0 330.516 4.339 20 10 EICDRO CC[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Oc1cccc(F)c1 ZINC001177943262 1050344247 /nfs/dbraw/zinc/34/42/47/1050344247.db2.gz PVFQYPAJZIPMIC-YJJPMGAVSA-N 1 0 342.458 4.352 20 10 EICDRO CCOc1cc(Cl)ccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001178272563 1050426937 /nfs/dbraw/zinc/42/69/37/1050426937.db2.gz ZVKQPACNWIBCTR-UHFFFAOYSA-N 1 0 336.838 4.234 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1C ZINC001178410016 1050466360 /nfs/dbraw/zinc/46/63/60/1050466360.db2.gz ZZDYYEVPESAAHL-UHFFFAOYSA-N 1 0 349.478 4.474 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC001178492387 1050482683 /nfs/dbraw/zinc/48/26/83/1050482683.db2.gz KLQAVYNVVXPGRZ-QGZVFWFLSA-N 1 0 326.484 4.458 20 10 EICDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001178762067 1050549447 /nfs/dbraw/zinc/54/94/47/1050549447.db2.gz CSUIXKSLXKHLPE-RTBURBONSA-N 1 0 330.497 4.042 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CS1 ZINC001178950429 1050594375 /nfs/dbraw/zinc/59/43/75/1050594375.db2.gz NWVIPRFRECFCLE-HOCLYGCPSA-N 1 0 332.538 4.368 20 10 EICDRO CCCN(Cc1cnc(C)n1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000775139963 1050604081 /nfs/dbraw/zinc/60/40/81/1050604081.db2.gz GWJFYTHHANRPLY-UHFFFAOYSA-N 1 0 334.467 4.056 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4ccccc43)C2)cc1 ZINC001179128726 1050636488 /nfs/dbraw/zinc/63/64/88/1050636488.db2.gz FLZDWPPSJPKEPA-LJQANCHMSA-N 1 0 332.447 4.217 20 10 EICDRO CCCN(Cc1cnc(-c2ccccn2)s1)c1ccc(C[NH3+])cc1 ZINC000775150273 1050642201 /nfs/dbraw/zinc/64/22/01/1050642201.db2.gz SXJDRODMGUHXKM-UHFFFAOYSA-N 1 0 338.480 4.080 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000773812178 1050664704 /nfs/dbraw/zinc/66/47/04/1050664704.db2.gz PSIKAIILPURBNB-DENIHFKCSA-N 1 0 338.495 4.400 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC23CC3)c(C(F)(F)F)c1 ZINC001179303833 1050666814 /nfs/dbraw/zinc/66/68/14/1050666814.db2.gz AVXIQELSYLXJEX-AWEZNQCLSA-N 1 0 326.406 4.441 20 10 EICDRO Cc1nc2c(cccc2CC[NH2+]Cc2c(O)cc(C)cc2Cl)o1 ZINC001179531093 1050711561 /nfs/dbraw/zinc/71/15/61/1050711561.db2.gz HQFQQUDGTNHXAJ-UHFFFAOYSA-N 1 0 330.815 4.136 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001179747333 1050770770 /nfs/dbraw/zinc/77/07/70/1050770770.db2.gz KPZGHIITHYLVOE-SJORKVTESA-N 1 0 342.483 4.087 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cc3c(cccc3O)s2)cc1 ZINC001179844744 1050792334 /nfs/dbraw/zinc/79/23/34/1050792334.db2.gz AGMGCJRLSAAJTF-UHFFFAOYSA-N 1 0 326.465 4.305 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccsc2C(F)(F)F)cc1 ZINC001179845294 1050798113 /nfs/dbraw/zinc/79/81/13/1050798113.db2.gz NVSRPNWWIUEBQY-UHFFFAOYSA-N 1 0 328.403 4.465 20 10 EICDRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000182844063 1050858112 /nfs/dbraw/zinc/85/81/12/1050858112.db2.gz IVWROIFIYRSXMC-CYBMUJFWSA-N 1 0 348.512 4.390 20 10 EICDRO CC[N@H+](Cc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183066942 1050963933 /nfs/dbraw/zinc/96/39/33/1050963933.db2.gz NPBZGJWCQQRDIZ-UHFFFAOYSA-N 1 0 348.446 4.388 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1O ZINC001180521167 1051014554 /nfs/dbraw/zinc/01/45/54/1051014554.db2.gz JNIHFGVOGRDGHR-KRWDZBQOSA-N 1 0 331.843 4.261 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000773862422 1051023682 /nfs/dbraw/zinc/02/36/82/1051023682.db2.gz YQBYOSFTXWDKJQ-LJQANCHMSA-N 1 0 328.456 4.219 20 10 EICDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1O ZINC001180505529 1051026014 /nfs/dbraw/zinc/02/60/14/1051026014.db2.gz XJGXNANLLOKLMA-UHFFFAOYSA-N 1 0 335.403 4.296 20 10 EICDRO COc1ccccc1C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001180558789 1051033363 /nfs/dbraw/zinc/03/33/63/1051033363.db2.gz UPPXOAMOCXSRGW-SREVYHEPSA-N 1 0 336.479 4.439 20 10 EICDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1=CCCCC1 ZINC000775319128 1051058743 /nfs/dbraw/zinc/05/87/43/1051058743.db2.gz OJTPJJMBINAUBJ-UHFFFAOYSA-N 1 0 328.500 4.139 20 10 EICDRO Cc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC001180663912 1051059438 /nfs/dbraw/zinc/05/94/38/1051059438.db2.gz AVGYNYUYLUVOTA-UHFFFAOYSA-N 1 0 332.875 4.225 20 10 EICDRO Cc1oc2ccccc2c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001180666264 1051060622 /nfs/dbraw/zinc/06/06/22/1051060622.db2.gz VFNQDHDQICALKL-UHFFFAOYSA-N 1 0 338.451 4.318 20 10 EICDRO COC(=O)c1c(C[NH2+]CC(C(C)C)C(C)C)c2cc(F)ccc2n1C ZINC001180997616 1051128951 /nfs/dbraw/zinc/12/89/51/1051128951.db2.gz WDDFEMJXCOZUKW-UHFFFAOYSA-N 1 0 348.462 4.122 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(C(F)(F)F)c1 ZINC000183482752 1051132853 /nfs/dbraw/zinc/13/28/53/1051132853.db2.gz LVRMUZMAIRCPJM-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)oc2C)c1 ZINC000775368684 1051133554 /nfs/dbraw/zinc/13/35/54/1051133554.db2.gz DUJOHMVNWUOBNZ-CYBMUJFWSA-N 1 0 338.407 4.215 20 10 EICDRO CCCOc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775365834 1051134433 /nfs/dbraw/zinc/13/44/33/1051134433.db2.gz XYEJZUGVBBDHCO-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc3ccccc32)c1 ZINC000775372653 1051152918 /nfs/dbraw/zinc/15/29/18/1051152918.db2.gz FMXSEHMJAGJAKS-HNNXBMFYSA-N 1 0 337.419 4.284 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183595149 1051177768 /nfs/dbraw/zinc/17/77/68/1051177768.db2.gz AGVLLJFKRPIZSF-LSDHHAIUSA-N 1 0 331.481 4.480 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ccncc3C)CC2)c(Cl)c1 ZINC001181383679 1051215556 /nfs/dbraw/zinc/21/55/56/1051215556.db2.gz YEOZWXLLTDSRCE-UHFFFAOYSA-N 1 0 346.858 4.101 20 10 EICDRO CN1CCC([N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2O)CC1 ZINC001181534393 1051248100 /nfs/dbraw/zinc/24/81/00/1051248100.db2.gz LFZYWIWEZGBYCX-UHFFFAOYSA-N 1 0 344.886 4.142 20 10 EICDRO COc1ccc(C2([NH2+]Cc3cc(Cl)cc(C(C)=O)c3O)CC2)cc1 ZINC000775408606 1051266753 /nfs/dbraw/zinc/26/67/53/1051266753.db2.gz AICGTAUJWDGFFJ-UHFFFAOYSA-N 1 0 345.826 4.036 20 10 EICDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1O ZINC000775411720 1051276640 /nfs/dbraw/zinc/27/66/40/1051276640.db2.gz HVNWHOOQPASVJC-OAHLLOKOSA-N 1 0 332.831 4.033 20 10 EICDRO COc1cc(C)cc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)c1O ZINC001181764791 1051299328 /nfs/dbraw/zinc/29/93/28/1051299328.db2.gz QKWJSSOHLWBDBG-UHFFFAOYSA-N 1 0 325.452 4.309 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC001181763243 1051299457 /nfs/dbraw/zinc/29/94/57/1051299457.db2.gz GNOYZZYFDVRYRF-AWEZNQCLSA-N 1 0 343.467 4.125 20 10 EICDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001182387809 1051538444 /nfs/dbraw/zinc/53/84/44/1051538444.db2.gz NLLCLAMBXVHROU-GFCCVEGCSA-N 1 0 326.278 4.461 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000775496228 1051599496 /nfs/dbraw/zinc/59/94/96/1051599496.db2.gz IABWOCJOMMTNQV-WMLDXEAASA-N 1 0 327.424 4.183 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000774472028 1051605453 /nfs/dbraw/zinc/60/54/53/1051605453.db2.gz LBENUTWCSMJSJE-XLIONFOSSA-N 1 0 344.499 4.013 20 10 EICDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484866 1051613464 /nfs/dbraw/zinc/61/34/64/1051613464.db2.gz RTDITGWRQMLTFQ-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484868 1051613672 /nfs/dbraw/zinc/61/36/72/1051613672.db2.gz RTDITGWRQMLTFQ-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775497789 1051618528 /nfs/dbraw/zinc/61/85/28/1051618528.db2.gz UEHWPGWMQDLXID-JOYOIKCWSA-N 1 0 325.758 4.054 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1 ZINC000273440147 1051622078 /nfs/dbraw/zinc/62/20/78/1051622078.db2.gz YELLKTLTTHUBAV-NEPJUHHUSA-N 1 0 337.366 4.414 20 10 EICDRO CCOC(=O)CCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001192316289 1051689132 /nfs/dbraw/zinc/68/91/32/1051689132.db2.gz YCQLUPDFJCVEBH-QGZVFWFLSA-N 1 0 341.451 4.299 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2oc3c(cccc3C)c2C)c1 ZINC001182725046 1051689112 /nfs/dbraw/zinc/68/91/12/1051689112.db2.gz FDUNOCIQUWONPA-UHFFFAOYSA-N 1 0 325.408 4.396 20 10 EICDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001192336696 1051693606 /nfs/dbraw/zinc/69/36/06/1051693606.db2.gz WLYGJWAFDXYNLY-IBGZPJMESA-N 1 0 348.874 4.389 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000775526597 1051719789 /nfs/dbraw/zinc/71/97/89/1051719789.db2.gz SHJRNSNOLQLHMF-CRAIPNDOSA-N 1 0 328.431 4.241 20 10 EICDRO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)cs1 ZINC000774584623 1051792681 /nfs/dbraw/zinc/79/26/81/1051792681.db2.gz DFSWUMABIWNANX-GOSISDBHSA-N 1 0 328.481 4.373 20 10 EICDRO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1Cc1ccccc1O ZINC001203562310 1051816267 /nfs/dbraw/zinc/81/62/67/1051816267.db2.gz HSILNBGHSWCHEL-GFCCVEGCSA-N 1 0 332.241 4.102 20 10 EICDRO COc1ccc(C(=O)c2ccccc2Nc2ccc(C[NH3+])cc2)cc1 ZINC001175971588 1051855069 /nfs/dbraw/zinc/85/50/69/1051855069.db2.gz VKHIJUSFIVDRFZ-UHFFFAOYSA-N 1 0 332.403 4.129 20 10 EICDRO Cc1cc(C[N@H+](C)Cc2cccc(F)c2)c(O)cc1Br ZINC001250120654 1051879739 /nfs/dbraw/zinc/87/97/39/1051879739.db2.gz LQQBNTZVYUBDRC-UHFFFAOYSA-N 1 0 338.220 4.234 20 10 EICDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC001176036458 1051882070 /nfs/dbraw/zinc/88/20/70/1051882070.db2.gz MPUDCRIJWJXYSS-PGRDOPGGSA-N 1 0 336.479 4.106 20 10 EICDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC001193248591 1051890538 /nfs/dbraw/zinc/89/05/38/1051890538.db2.gz FWPGHAPHCFUGMI-HXUWFJFHSA-N 1 0 326.484 4.118 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798520 1051900135 /nfs/dbraw/zinc/90/01/35/1051900135.db2.gz FPCNPAUOPDCJRG-MJSXRHKHSA-N 1 0 342.380 4.132 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1C ZINC001177081226 1052225945 /nfs/dbraw/zinc/22/59/45/1052225945.db2.gz FQJYNWHSOOWRBQ-IBGZPJMESA-N 1 0 342.483 4.304 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184897873 1052297669 /nfs/dbraw/zinc/29/76/69/1052297669.db2.gz OTJAVBWZXIBWCY-LSDHHAIUSA-N 1 0 341.451 4.274 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)c1 ZINC000184902589 1052298205 /nfs/dbraw/zinc/29/82/05/1052298205.db2.gz MKRNOFJLSKDEBJ-HZPDHXFCSA-N 1 0 329.440 4.219 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000184901818 1052298492 /nfs/dbraw/zinc/29/84/92/1052298492.db2.gz NWLHHXNRMNBPNV-VBKZILBWSA-N 1 0 329.440 4.457 20 10 EICDRO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919918 1052308981 /nfs/dbraw/zinc/30/89/81/1052308981.db2.gz JPUXBIQFNPVLSP-HNAYVOBHSA-N 1 0 328.431 4.019 20 10 EICDRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc2c(cc1O)CCCC2 ZINC000184962414 1052338173 /nfs/dbraw/zinc/33/81/73/1052338173.db2.gz YWCYPASRZDKYJZ-INIZCTEOSA-N 1 0 347.462 4.308 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc2ccccc2c1O ZINC000185162630 1052496941 /nfs/dbraw/zinc/49/69/41/1052496941.db2.gz YJSKLTANIOVMED-DJJJIMSYSA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000185517268 1052621550 /nfs/dbraw/zinc/62/15/50/1052621550.db2.gz YJIXYQASRVTWEF-FHERZECASA-N 1 0 348.487 4.187 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c(O)c1 ZINC000185546777 1052636179 /nfs/dbraw/zinc/63/61/79/1052636179.db2.gz QSIUSVZQWFTOFS-FTRWYGJKSA-N 1 0 344.524 4.496 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185695153 1052679309 /nfs/dbraw/zinc/67/93/09/1052679309.db2.gz JUDGJEHTTHCEOK-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1nccs1 ZINC000850151203 1053078927 /nfs/dbraw/zinc/07/89/27/1053078927.db2.gz UFSXZTHWBOWNCP-OAHLLOKOSA-N 1 0 334.485 4.396 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccc(C)o1 ZINC000850170488 1053083187 /nfs/dbraw/zinc/08/31/87/1053083187.db2.gz LIRLXXHVPBULOP-QGZVFWFLSA-N 1 0 347.455 4.077 20 10 EICDRO COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850246527 1053096532 /nfs/dbraw/zinc/09/65/32/1053096532.db2.gz RXUMTTHKCYUSTK-GFCCVEGCSA-N 1 0 348.512 4.357 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000764435327 1053102340 /nfs/dbraw/zinc/10/23/40/1053102340.db2.gz ZLAGAJTXGBUSHE-IBGZPJMESA-N 1 0 342.483 4.053 20 10 EICDRO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000850385335 1053160157 /nfs/dbraw/zinc/16/01/57/1053160157.db2.gz DQIJFNOLDMGRPJ-KNQAVFIVSA-N 1 0 335.495 4.183 20 10 EICDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406801 1053177199 /nfs/dbraw/zinc/17/71/99/1053177199.db2.gz UOQZMWVKVLUVIK-HKUYNNGSSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000764564259 1053201798 /nfs/dbraw/zinc/20/17/98/1053201798.db2.gz PZOLDGRCTABSCU-XLIONFOSSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2ccccc2[nH]1 ZINC000775621555 1053206773 /nfs/dbraw/zinc/20/67/73/1053206773.db2.gz LMOSFSKPTXRKSP-IRXDYDNUSA-N 1 0 349.478 4.416 20 10 EICDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654954 1053250996 /nfs/dbraw/zinc/25/09/96/1053250996.db2.gz DQRMHMNMLDDWQR-MFKMUULPSA-N 1 0 331.378 4.168 20 10 EICDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654955 1053253909 /nfs/dbraw/zinc/25/39/09/1053253909.db2.gz DQRMHMNMLDDWQR-ZWNOBZJWSA-N 1 0 331.378 4.168 20 10 EICDRO Cn1cnc2cc(C[N@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000775632912 1053255576 /nfs/dbraw/zinc/25/55/76/1053255576.db2.gz DBQHFVJHHKLJGP-UHFFFAOYSA-N 1 0 347.418 4.074 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](CC(C)C)c3ccncc3)C2)cc1 ZINC000850489540 1053256140 /nfs/dbraw/zinc/25/61/40/1053256140.db2.gz YGKOCPNOKXPMIV-WIYYLYMNSA-N 1 0 339.483 4.046 20 10 EICDRO COCc1csc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000850533235 1053297978 /nfs/dbraw/zinc/29/79/78/1053297978.db2.gz TUPKPXDZECKPLV-CYBMUJFWSA-N 1 0 331.481 4.330 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000850537601 1053302689 /nfs/dbraw/zinc/30/26/89/1053302689.db2.gz WESCVOONCDFRFT-TVQRCGJNSA-N 1 0 334.204 4.159 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1O ZINC000850543274 1053304198 /nfs/dbraw/zinc/30/41/98/1053304198.db2.gz HDPBPQQXAWWXGK-QFYYESIMSA-N 1 0 348.240 4.198 20 10 EICDRO CCSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000850552293 1053306413 /nfs/dbraw/zinc/30/64/13/1053306413.db2.gz LTXALBGBSAJMJE-JTQLQIEISA-N 1 0 330.291 4.091 20 10 EICDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850555207 1053310502 /nfs/dbraw/zinc/31/05/02/1053310502.db2.gz NKBYHGCASAKIGA-BKTGTZMESA-N 1 0 333.859 4.454 20 10 EICDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850566719 1053319259 /nfs/dbraw/zinc/31/92/59/1053319259.db2.gz RACYAWXQVSCQOH-SFHVURJKSA-N 1 0 338.495 4.115 20 10 EICDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000850567002 1053319895 /nfs/dbraw/zinc/31/98/95/1053319895.db2.gz VZCJEEPUXJMWBY-SFHVURJKSA-N 1 0 338.495 4.115 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000850565135 1053320470 /nfs/dbraw/zinc/32/04/70/1053320470.db2.gz BAWVFKSPMATLRJ-OAHLLOKOSA-N 1 0 344.886 4.152 20 10 EICDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565946 1053320633 /nfs/dbraw/zinc/32/06/33/1053320633.db2.gz JTKBBTQBRVRBSB-RXVVDRJESA-N 1 0 330.516 4.096 20 10 EICDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000775644782 1053333519 /nfs/dbraw/zinc/33/35/19/1053333519.db2.gz UYWWWVDIBNWVJJ-MRXNPFEDSA-N 1 0 349.272 4.139 20 10 EICDRO Cc1cc(CC[NH2+][C@H](c2nccn2C)C2CC2)c(C)n1-c1ccccc1 ZINC000776481779 1053340322 /nfs/dbraw/zinc/34/03/22/1053340322.db2.gz DVWVJYOKRDAQSN-NRFANRHFSA-N 1 0 348.494 4.111 20 10 EICDRO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000775646901 1053345382 /nfs/dbraw/zinc/34/53/82/1053345382.db2.gz LHIJNYXZLXJUEF-UHFFFAOYSA-N 1 0 341.451 4.056 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C)cc1O ZINC000794802398 1053383323 /nfs/dbraw/zinc/38/33/23/1053383323.db2.gz FCJCSNHAUOIYGV-ROUUACIJSA-N 1 0 330.472 4.417 20 10 EICDRO CC[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1O ZINC000794801071 1053383913 /nfs/dbraw/zinc/38/39/13/1053383913.db2.gz IAJJUIZXQDVTAM-VQTJNVASSA-N 1 0 335.451 4.379 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1O ZINC000794801074 1053384599 /nfs/dbraw/zinc/38/45/99/1053384599.db2.gz IAJJUIZXQDVTAM-WOJBJXKFSA-N 1 0 335.451 4.379 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccc(C)cc1O ZINC000794798598 1053385223 /nfs/dbraw/zinc/38/52/23/1053385223.db2.gz WJIWHJDLKTUCKA-QGZVFWFLSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794794386 1053386141 /nfs/dbraw/zinc/38/61/41/1053386141.db2.gz MXHLITCALIKGGI-WMLDXEAASA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(C)cc1O ZINC000794794453 1053388333 /nfs/dbraw/zinc/38/83/33/1053388333.db2.gz DBHUVXJESSJHHD-KBXCAEBGSA-N 1 0 341.451 4.274 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C)cc1O ZINC000794793680 1053390140 /nfs/dbraw/zinc/39/01/40/1053390140.db2.gz AIOWSHGABBABCJ-MRXNPFEDSA-N 1 0 329.831 4.243 20 10 EICDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962447 1053398481 /nfs/dbraw/zinc/39/84/81/1053398481.db2.gz JDBQEDOYXQXOOU-LRQRDZAKSA-N 1 0 345.506 4.093 20 10 EICDRO Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1N1CCCCC1 ZINC001195452865 1053405159 /nfs/dbraw/zinc/40/51/59/1053405159.db2.gz MGTJJYYSXBBXOJ-IBGZPJMESA-N 1 0 342.527 4.376 20 10 EICDRO CCOc1ccc(C[N@H+](Cc2cc(OC)ccc2O)C(C)C)cc1 ZINC000775656417 1053406053 /nfs/dbraw/zinc/40/60/53/1053406053.db2.gz GPMNFUSPRAIGCA-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2F)cc1 ZINC001195463974 1053408394 /nfs/dbraw/zinc/40/83/94/1053408394.db2.gz QKIUYTDRZSFAKI-OAQYLSRUSA-N 1 0 326.459 4.489 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C)cc1O ZINC000794809641 1053416046 /nfs/dbraw/zinc/41/60/46/1053416046.db2.gz HEKODVLGLPVLED-IBGZPJMESA-N 1 0 343.467 4.275 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1O ZINC000794813318 1053419406 /nfs/dbraw/zinc/41/94/06/1053419406.db2.gz CEUGHAHDGABFPT-MRXNPFEDSA-N 1 0 341.430 4.010 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1O ZINC000794812808 1053421653 /nfs/dbraw/zinc/42/16/53/1053421653.db2.gz ZFNVOVILNVYWME-AEFFLSMTSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C)cc1O ZINC000794811957 1053428179 /nfs/dbraw/zinc/42/81/79/1053428179.db2.gz UZLFQGDHAGPHHR-HNNXBMFYSA-N 1 0 330.497 4.319 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794812422 1053428391 /nfs/dbraw/zinc/42/83/91/1053428391.db2.gz CNUZVZHSMLJPOJ-MJGOQNOKSA-N 1 0 333.859 4.302 20 10 EICDRO CC[C@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816612 1053431843 /nfs/dbraw/zinc/43/18/43/1053431843.db2.gz LOURPKNANSQJQD-ROUUACIJSA-N 1 0 335.394 4.407 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccc(C)cc1O ZINC000794817823 1053432383 /nfs/dbraw/zinc/43/23/83/1053432383.db2.gz RJDBHDWURXOMNI-GOSISDBHSA-N 1 0 342.439 4.162 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000765313990 1053498550 /nfs/dbraw/zinc/49/85/50/1053498550.db2.gz YKWUPQYFSVNQMI-IAGOWNOFSA-N 1 0 341.474 4.069 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC000851771215 1053516031 /nfs/dbraw/zinc/51/60/31/1053516031.db2.gz YTFWIGWCUQMXIL-UHFFFAOYSA-N 1 0 333.435 4.280 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391431 1053526828 /nfs/dbraw/zinc/52/68/28/1053526828.db2.gz FLVCXQUXGPBNDM-IFXJQAMLSA-N 1 0 328.431 4.456 20 10 EICDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765415822 1053538754 /nfs/dbraw/zinc/53/87/54/1053538754.db2.gz BEAJMFRHJZIYQH-INIZCTEOSA-N 1 0 334.479 4.426 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000775679131 1053554297 /nfs/dbraw/zinc/55/42/97/1053554297.db2.gz NJUMCRNWHZLHEQ-GOSISDBHSA-N 1 0 331.843 4.318 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765459165 1053555808 /nfs/dbraw/zinc/55/58/08/1053555808.db2.gz DPSJOGBCQXKZCH-OXJNMPFZSA-N 1 0 342.458 4.464 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cccn2)cc1 ZINC000765479685 1053561888 /nfs/dbraw/zinc/56/18/88/1053561888.db2.gz JBXNOYIIDBCQKV-KRWDZBQOSA-N 1 0 346.478 4.106 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc(Cl)n1 ZINC000797589439 1053565909 /nfs/dbraw/zinc/56/59/09/1053565909.db2.gz QCGZCGHXMQPGSB-UHFFFAOYSA-N 1 0 329.875 4.274 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccsc2C(F)(F)F)c1O ZINC000865652925 1053567003 /nfs/dbraw/zinc/56/70/03/1053567003.db2.gz JDZRWUFISMAHKG-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000865720608 1053577830 /nfs/dbraw/zinc/57/78/30/1053577830.db2.gz JFNUHYXBOOGPJG-UHFFFAOYSA-N 1 0 345.748 4.363 20 10 EICDRO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1O ZINC000775703357 1053619074 /nfs/dbraw/zinc/61/90/74/1053619074.db2.gz OXROBHRHPBYJFR-LJQANCHMSA-N 1 0 331.431 4.031 20 10 EICDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000853239212 1053655128 /nfs/dbraw/zinc/65/51/28/1053655128.db2.gz CFFVHXMOCUQAAT-KRWDZBQOSA-N 1 0 326.488 4.134 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240302 1053655903 /nfs/dbraw/zinc/65/59/03/1053655903.db2.gz OSPZUWUCLMNJKX-CRAIPNDOSA-N 1 0 336.907 4.208 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240512 1053658018 /nfs/dbraw/zinc/65/80/18/1053658018.db2.gz HNMFNBJNGZHANV-DYVFJYSZSA-N 1 0 337.398 4.055 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000866238416 1053660947 /nfs/dbraw/zinc/66/09/47/1053660947.db2.gz NIZJNTJBGBKLCT-HXUWFJFHSA-N 1 0 341.524 4.122 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000866402652 1053716176 /nfs/dbraw/zinc/71/61/76/1053716176.db2.gz BGHGYFGLCUGZCH-LLSQANQASA-N 1 0 333.378 4.160 20 10 EICDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)s1 ZINC000866455225 1053737779 /nfs/dbraw/zinc/73/77/79/1053737779.db2.gz KDJAIRYTMZHKGQ-IUCAKERBSA-N 1 0 341.274 4.331 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)CCO2 ZINC000825548872 1053751680 /nfs/dbraw/zinc/75/16/80/1053751680.db2.gz IYHIMFVQDSJSDY-KRWDZBQOSA-N 1 0 347.842 4.366 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2c1O ZINC000866540293 1053776531 /nfs/dbraw/zinc/77/65/31/1053776531.db2.gz YDXKFGJTHVESQH-VHFSOBRXSA-N 1 0 325.452 4.259 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1 ZINC000866568989 1053790527 /nfs/dbraw/zinc/79/05/27/1053790527.db2.gz JDCGKTAGFJEQIH-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncc(Br)s2)c(O)c1 ZINC000866619536 1053809018 /nfs/dbraw/zinc/80/90/18/1053809018.db2.gz DMXZXLCWUOZZHZ-JTQLQIEISA-N 1 0 341.274 4.079 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(Br)s2)c(O)c1C ZINC000866619574 1053809232 /nfs/dbraw/zinc/80/92/32/1053809232.db2.gz FEAAVGXMDSHVEM-SNVBAGLBSA-N 1 0 341.274 4.079 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633366 1053813132 /nfs/dbraw/zinc/81/31/32/1053813132.db2.gz UFQUTADXFICDCB-YJBOKZPZSA-N 1 0 342.462 4.198 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765619398 1053817311 /nfs/dbraw/zinc/81/73/11/1053817311.db2.gz JINYCGQZTXTVPF-INIZCTEOSA-N 1 0 342.458 4.415 20 10 EICDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000765659402 1053832415 /nfs/dbraw/zinc/83/24/15/1053832415.db2.gz LVVWGNZHZOYZLL-INIZCTEOSA-N 1 0 340.515 4.361 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1O ZINC000765679902 1053835355 /nfs/dbraw/zinc/83/53/55/1053835355.db2.gz IEMOUKAQPQQCRC-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536832 1053837768 /nfs/dbraw/zinc/83/77/68/1053837768.db2.gz MWKYGIGVLJBVAG-CVEARBPZSA-N 1 0 328.431 4.074 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)CCc3ccccc3)CC2)cc1 ZINC000112541424 1053838393 /nfs/dbraw/zinc/83/83/93/1053838393.db2.gz IPLXEHFROJBQSH-GOSISDBHSA-N 1 0 338.495 4.275 20 10 EICDRO Cc1cc(C[NH2+]C(C)(C)[C@H]2CCCCO2)ccc1N1CCCCC1 ZINC001197116819 1053840261 /nfs/dbraw/zinc/84/02/61/1053840261.db2.gz TYCVVKDTFIOREL-HXUWFJFHSA-N 1 0 330.516 4.423 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765683387 1053840432 /nfs/dbraw/zinc/84/04/32/1053840432.db2.gz MNZBMNXYYVCMRU-DYESRHJHSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000122711427 1054020759 /nfs/dbraw/zinc/02/07/59/1054020759.db2.gz HLXKNPOHEZKWLG-MRXNPFEDSA-N 1 0 340.467 4.073 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000122764897 1054034791 /nfs/dbraw/zinc/03/47/91/1054034791.db2.gz XXKYUURTSPBTPG-IBGZPJMESA-N 1 0 327.428 4.210 20 10 EICDRO CCn1c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nc2c1cccc2F ZINC000775831866 1054105545 /nfs/dbraw/zinc/10/55/45/1054105545.db2.gz VQYYAGABNPLBCS-AWEZNQCLSA-N 1 0 340.446 4.112 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1C ZINC001199012472 1054327468 /nfs/dbraw/zinc/32/74/68/1054327468.db2.gz DTOFEXRDYGODTE-NRFANRHFSA-N 1 0 338.495 4.148 20 10 EICDRO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000872030206 1054347130 /nfs/dbraw/zinc/34/71/30/1054347130.db2.gz AUSXTHWWTBNKIA-CQSZACIVSA-N 1 0 344.421 4.375 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000012079553 1054374122 /nfs/dbraw/zinc/37/41/22/1054374122.db2.gz SLEPIFKMOWILAK-UHFFFAOYSA-N 1 0 333.387 4.078 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)c1O ZINC000872106085 1054389674 /nfs/dbraw/zinc/38/96/74/1054389674.db2.gz DSVRJUFKDCZNJL-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC001199403607 1054406517 /nfs/dbraw/zinc/40/65/17/1054406517.db2.gz WOMVIKFOBVDBRA-OAHLLOKOSA-N 1 0 343.540 4.404 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000872131446 1054408557 /nfs/dbraw/zinc/40/85/57/1054408557.db2.gz UNTGOPPTKPZRKG-WDEREUQCSA-N 1 0 340.345 4.226 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)c2ccc(C)cn2)ccc1OC ZINC000858241747 1054444337 /nfs/dbraw/zinc/44/43/37/1054444337.db2.gz ZVSXUBZDMHSQMD-UHFFFAOYSA-N 1 0 342.483 4.003 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000776012354 1054444777 /nfs/dbraw/zinc/44/47/77/1054444777.db2.gz YSIGQOQAOMKUAE-ROUUACIJSA-N 1 0 325.452 4.382 20 10 EICDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000858238248 1054445815 /nfs/dbraw/zinc/44/58/15/1054445815.db2.gz XPGKJIVVLYCAJJ-UHFFFAOYSA-N 1 0 349.478 4.160 20 10 EICDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012946 1054453894 /nfs/dbraw/zinc/45/38/94/1054453894.db2.gz SNOYSOACHSPEAS-BLLLJJGKSA-N 1 0 348.384 4.044 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(C)ccc1C ZINC000858296728 1054456000 /nfs/dbraw/zinc/45/60/00/1054456000.db2.gz ZMZNCMPLKVVOQC-QFIPXVFZSA-N 1 0 338.495 4.381 20 10 EICDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199742861 1054460585 /nfs/dbraw/zinc/46/05/85/1054460585.db2.gz OVGWXOGDJLEJRC-RGDDUWESSA-N 1 0 346.421 4.101 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1C ZINC000873025647 1054479024 /nfs/dbraw/zinc/47/90/24/1054479024.db2.gz DKGUDUGKAXQABW-QGZVFWFLSA-N 1 0 326.440 4.052 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000873050173 1054481472 /nfs/dbraw/zinc/48/14/72/1054481472.db2.gz QSUWFPXWEKBUAO-OAHLLOKOSA-N 1 0 341.455 4.125 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCOC1 ZINC000858445538 1054490676 /nfs/dbraw/zinc/49/06/76/1054490676.db2.gz MQHDNBIDEHISNZ-CTNGQTDRSA-N 1 0 339.479 4.472 20 10 EICDRO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc2ccccc2c1O ZINC000858452325 1054493381 /nfs/dbraw/zinc/49/33/81/1054493381.db2.gz KFYGFJYDVZINPF-LLVKDONJSA-N 1 0 349.356 4.149 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC001199923837 1054498085 /nfs/dbraw/zinc/49/80/85/1054498085.db2.gz BABOVANKSJAJDK-IBGZPJMESA-N 1 0 349.478 4.223 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000873183803 1054504764 /nfs/dbraw/zinc/50/47/64/1054504764.db2.gz JNSJXGNYIYAIGA-INIZCTEOSA-N 1 0 339.439 4.436 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000873187944 1054507425 /nfs/dbraw/zinc/50/74/25/1054507425.db2.gz DFJRGUDALOMZEI-KRWDZBQOSA-N 1 0 326.488 4.262 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H](c2cccnc2)C(C)C)ccc1OC ZINC001200910437 1054570318 /nfs/dbraw/zinc/57/03/18/1054570318.db2.gz FLQJIKRCZWOUCL-FQEVSTJZSA-N 1 0 342.483 4.156 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000124593607 1054573125 /nfs/dbraw/zinc/57/31/25/1054573125.db2.gz KPIRKVYQQJPOGH-SJORKVTESA-N 1 0 342.458 4.117 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCCCC3)CC1)CCC2 ZINC000124741374 1054603673 /nfs/dbraw/zinc/60/36/73/1054603673.db2.gz ZPZCOROGFCBRIU-UHFFFAOYSA-N 1 0 329.484 4.195 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 ZINC000124889063 1054634571 /nfs/dbraw/zinc/63/45/71/1054634571.db2.gz XTBNUNBKSSYYEI-HRAATJIYSA-N 1 0 342.458 4.200 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001203550079 1054652138 /nfs/dbraw/zinc/65/21/38/1054652138.db2.gz GXJHOQRFTFGWEV-MRXNPFEDSA-N 1 0 332.241 4.492 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3CCCC4(CC4)CC3)cc2)CC1 ZINC000860073953 1054766989 /nfs/dbraw/zinc/76/69/89/1054766989.db2.gz SWZRAPAWZJTGSK-UHFFFAOYSA-N 1 0 328.500 4.068 20 10 EICDRO CCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCCC1 ZINC001201443653 1054810108 /nfs/dbraw/zinc/81/01/08/1054810108.db2.gz VVXKBCKRJFIVFO-UHFFFAOYSA-N 1 0 327.472 4.000 20 10 EICDRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001201529495 1054845701 /nfs/dbraw/zinc/84/57/01/1054845701.db2.gz PPSPKKFPZYZISV-AWEZNQCLSA-N 1 0 349.858 4.167 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2ccnc2)c1 ZINC000776216763 1054927187 /nfs/dbraw/zinc/92/71/87/1054927187.db2.gz FPTOQEQNZIBXMY-SFHVURJKSA-N 1 0 346.478 4.323 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1F ZINC001201833466 1054927775 /nfs/dbraw/zinc/92/77/75/1054927775.db2.gz PXKRLMJTKZEBPI-OAQYLSRUSA-N 1 0 344.449 4.415 20 10 EICDRO CC(C)[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876585022 1054931488 /nfs/dbraw/zinc/93/14/88/1054931488.db2.gz WIIUZMVGRUYDLY-UHFFFAOYSA-N 1 0 339.439 4.010 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C(F)F)nc1 ZINC000876584662 1054932181 /nfs/dbraw/zinc/93/21/81/1054932181.db2.gz LMKCFTLBGDDYPQ-UHFFFAOYSA-N 1 0 333.426 4.496 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCC2(C)OCCO2)c(O)c(C(C)(C)C)c1 ZINC001201939647 1054947227 /nfs/dbraw/zinc/94/72/27/1054947227.db2.gz SNVMOAMGZBCZDR-UHFFFAOYSA-N 1 0 349.515 4.230 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010797 1054977611 /nfs/dbraw/zinc/97/76/11/1054977611.db2.gz QKHGXTJZCHWZIV-LLHWWHOWSA-N 1 0 326.415 4.018 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001202058158 1055001929 /nfs/dbraw/zinc/00/19/29/1055001929.db2.gz LGDFHXIWCPBEAX-PKOBYXMFSA-N 1 0 326.459 4.393 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001202084077 1055023027 /nfs/dbraw/zinc/02/30/27/1055023027.db2.gz RYIGITWRBLTBBC-VGSWGCGISA-N 1 0 335.495 4.268 20 10 EICDRO Cc1ccc(C[NH2+]Cc2csc(CCc3ccccc3)n2)c(O)c1 ZINC000877158682 1055027745 /nfs/dbraw/zinc/02/77/45/1055027745.db2.gz KRJVDDSTXAGQHB-UHFFFAOYSA-N 1 0 338.476 4.232 20 10 EICDRO Cc1ccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c(O)c1 ZINC000877498201 1055066802 /nfs/dbraw/zinc/06/68/02/1055066802.db2.gz NOQHOGSJOYSZLX-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1F ZINC000862487369 1055074312 /nfs/dbraw/zinc/07/43/12/1055074312.db2.gz PXBOOHOCAMLDQU-UHFFFAOYSA-N 1 0 330.447 4.234 20 10 EICDRO COC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193958 1055080647 /nfs/dbraw/zinc/08/06/47/1055080647.db2.gz LHZCYWSLPDHFIJ-FBQMEGEOSA-N 1 0 344.886 4.397 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000118960542 1055084684 /nfs/dbraw/zinc/08/46/84/1055084684.db2.gz HGOXFXZXARFYDC-IBGZPJMESA-N 1 0 328.456 4.011 20 10 EICDRO COc1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000776263561 1055097034 /nfs/dbraw/zinc/09/70/34/1055097034.db2.gz FBGUHKSBFACVRR-HXUWFJFHSA-N 1 0 348.446 4.260 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000877757077 1055113813 /nfs/dbraw/zinc/11/38/13/1055113813.db2.gz FKJHXJWDQOQBMK-CVEARBPZSA-N 1 0 326.440 4.077 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)cc1 ZINC000119233402 1055139230 /nfs/dbraw/zinc/13/92/30/1055139230.db2.gz NGDOYUAOUZNWTC-SFHVURJKSA-N 1 0 348.494 4.238 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(N(C)C)cc1 ZINC000126839713 1055168076 /nfs/dbraw/zinc/16/80/76/1055168076.db2.gz ALYNUJSMBIGJIW-FQEVSTJZSA-N 1 0 340.515 4.235 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000780746001 1055211926 /nfs/dbraw/zinc/21/19/26/1055211926.db2.gz KXHNMYIJSOUPBV-LZLYRXPVSA-N 1 0 334.479 4.282 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cccc2c1CCOC2 ZINC000878240431 1055216445 /nfs/dbraw/zinc/21/64/45/1055216445.db2.gz HLIPDCNYYITRET-UHFFFAOYSA-N 1 0 349.430 4.260 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccccc1O)OC(C)C ZINC000186376203 1055415741 /nfs/dbraw/zinc/41/57/41/1055415741.db2.gz UQNMJCARMVHTTR-FOIQADDNSA-N 1 0 329.440 4.218 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2N(C)CC)cc1 ZINC000765847384 1055866622 /nfs/dbraw/zinc/86/66/22/1055866622.db2.gz CATTWBMQRDAZTL-QGZVFWFLSA-N 1 0 325.500 4.450 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(N(C)C)cc1 ZINC000765850237 1055911775 /nfs/dbraw/zinc/91/17/75/1055911775.db2.gz SNODMSCCMNZYSE-FQEVSTJZSA-N 1 0 325.500 4.450 20 10 EICDRO C[C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)NC(=O)OC(C)(C)C ZINC000785453089 1056420929 /nfs/dbraw/zinc/42/09/29/1056420929.db2.gz AYIAUQHXXSZPMG-HNNXBMFYSA-N 1 0 348.487 4.050 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000743262364 1058907300 /nfs/dbraw/zinc/90/73/00/1058907300.db2.gz PXNKWNBUUFRCEJ-FQEVSTJZSA-N 1 0 344.886 4.104 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)cc1C ZINC000743404266 1058991559 /nfs/dbraw/zinc/99/15/59/1058991559.db2.gz AUYHRKNLXZWBIJ-IBGZPJMESA-N 1 0 338.495 4.105 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1N(C)C ZINC000743841802 1059135260 /nfs/dbraw/zinc/13/52/60/1059135260.db2.gz XMOMIVKWVFMXTL-UHFFFAOYSA-N 1 0 325.500 4.229 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000752266433 1060247376 /nfs/dbraw/zinc/24/73/76/1060247376.db2.gz QLOUDBMETCGLSN-TZMCWYRMSA-N 1 0 332.385 4.350 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccc(N(C)C)cc1 ZINC000766350795 1060286887 /nfs/dbraw/zinc/28/68/87/1060286887.db2.gz PRSMICFLVXKFQH-GOSISDBHSA-N 1 0 337.467 4.486 20 10 EICDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766365780 1060311635 /nfs/dbraw/zinc/31/16/35/1060311635.db2.gz PJGMGQGZYLUNMX-OALUTQOASA-N 1 0 332.532 4.372 20 10 EICDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000766478790 1060387031 /nfs/dbraw/zinc/38/70/31/1060387031.db2.gz JDEHGIQUAGAUPK-FQVISZRSSA-N 1 0 330.516 4.411 20 10 EICDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766580374 1060622673 /nfs/dbraw/zinc/62/26/73/1060622673.db2.gz DZAXVHZHSJVTRZ-ZACQAIPSSA-N 1 0 334.479 4.282 20 10 EICDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC001169461054 1060830153 /nfs/dbraw/zinc/83/01/53/1060830153.db2.gz AXPBHSLMMUXBAB-ZDUSSCGKSA-N 1 0 336.838 4.275 20 10 EICDRO COc1ccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C ZINC001169644706 1060885812 /nfs/dbraw/zinc/88/58/12/1060885812.db2.gz OOWIYIBSNOUKTH-FQEVSTJZSA-N 1 0 345.870 4.148 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753912 1060940204 /nfs/dbraw/zinc/94/02/04/1060940204.db2.gz DEEOVMGUYGZYSR-HOCLYGCPSA-N 1 0 331.378 4.104 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1O ZINC000841752513 1032338455 /nfs/dbraw/zinc/33/84/55/1032338455.db2.gz PGMJNQNFOXPNMM-JDNHERCYSA-N 1 0 344.213 4.222 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760162099 1032489273 /nfs/dbraw/zinc/48/92/73/1032489273.db2.gz YIUNXPYEQITASA-LLVKDONJSA-N 1 0 338.282 4.492 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000153837542 1018739564 /nfs/dbraw/zinc/73/95/64/1018739564.db2.gz QJQBEMYJPBKVLG-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO CC(C)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160171938 1018774200 /nfs/dbraw/zinc/77/42/00/1018774200.db2.gz WKMFSLNPBOVBKX-MRXNPFEDSA-N 1 0 346.496 4.153 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(N(C)C)cc1 ZINC000154080247 1019351184 /nfs/dbraw/zinc/35/11/84/1019351184.db2.gz MQLDKWMTUGTRHI-OAQYLSRUSA-N 1 0 342.483 4.019 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154400336 1019759232 /nfs/dbraw/zinc/75/92/32/1019759232.db2.gz LKINDUJTKFKRNT-OAHLLOKOSA-N 1 0 328.431 4.372 20 10 EICDRO CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccccc1O ZINC000274898637 1019844561 /nfs/dbraw/zinc/84/45/61/1019844561.db2.gz KTNGXHCSVLPUAJ-INIZCTEOSA-N 1 0 339.464 4.194 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2ccccc2O)c2ccc(F)cc2)cc1 ZINC000237364131 1032858911 /nfs/dbraw/zinc/85/89/11/1032858911.db2.gz OOSXTEXAJKBERT-OAQYLSRUSA-N 1 0 337.394 4.419 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCCCC4)cc3)cn21 ZINC000160288305 1020804266 /nfs/dbraw/zinc/80/42/66/1020804266.db2.gz AGUPTFCOIQOZQV-SFHVURJKSA-N 1 0 348.494 4.484 20 10 EICDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001167906596 1032983021 /nfs/dbraw/zinc/98/30/21/1032983021.db2.gz YBYBOPWBUVILKV-HXUWFJFHSA-N 1 0 330.516 4.314 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C)cc1O ZINC000279935423 1033014476 /nfs/dbraw/zinc/01/44/76/1033014476.db2.gz AYVCKJDQYBTJMV-KRWDZBQOSA-N 1 0 332.444 4.245 20 10 EICDRO CC[C@H](c1ccccc1O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905088 1022086486 /nfs/dbraw/zinc/08/64/86/1022086486.db2.gz HGKYVWCMIGVAMA-RHSMWYFYSA-N 1 0 340.471 4.169 20 10 EICDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000155923798 1022714292 /nfs/dbraw/zinc/71/42/92/1022714292.db2.gz JQMQXRZQIMEZGY-HNNXBMFYSA-N 1 0 327.472 4.175 20 10 EICDRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000182650499 1022821090 /nfs/dbraw/zinc/82/10/90/1022821090.db2.gz XJVMZXQXOPRXJQ-UHFFFAOYSA-N 1 0 335.403 4.260 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160792564 1022866533 /nfs/dbraw/zinc/86/65/33/1022866533.db2.gz UVCDIKMZUJDNOM-SFTDATJTSA-N 1 0 326.484 4.307 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3c(C)cc(C)cc32)c1 ZINC000363862411 1022866786 /nfs/dbraw/zinc/86/67/86/1022866786.db2.gz IWLUUXMBPJBOHP-KDOFPFPSSA-N 1 0 327.424 4.192 20 10 EICDRO COc1cc(C)cc(C[NH+]2CCC(OC3CCCCC3)CC2)c1O ZINC000164232997 1022897378 /nfs/dbraw/zinc/89/73/78/1022897378.db2.gz CGXPOFIZBCDKDW-UHFFFAOYSA-N 1 0 333.472 4.023 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC3CCCC3)nc2)c(O)c1 ZINC000185057069 1023001809 /nfs/dbraw/zinc/00/18/09/1023001809.db2.gz UMMFNIDFGXRBSP-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000156134768 1023010245 /nfs/dbraw/zinc/01/02/45/1023010245.db2.gz BEBRSCINOFLEGM-NSHDSACASA-N 1 0 330.375 4.151 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185156786 1023013566 /nfs/dbraw/zinc/01/35/66/1023013566.db2.gz YRNPNNKGMUQEPL-HOTGVXAUSA-N 1 0 338.451 4.239 20 10 EICDRO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000255298020 1023062272 /nfs/dbraw/zinc/06/22/72/1023062272.db2.gz BNNDFWKQAPTRIH-AFCDSYGPSA-N 1 0 340.442 4.026 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382449418 1023147979 /nfs/dbraw/zinc/14/79/79/1023147979.db2.gz CXXLAVLLNDXWPP-HRCADAONSA-N 1 0 348.487 4.045 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)Cc3cccs3)CC2)cc1 ZINC000167485907 1023168280 /nfs/dbraw/zinc/16/82/80/1023168280.db2.gz OOTQRBPTKZJVTE-INIZCTEOSA-N 1 0 344.524 4.194 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000782941755 1023186393 /nfs/dbraw/zinc/18/63/93/1023186393.db2.gz CIHRWJSUSRTNSX-UHFFFAOYSA-N 1 0 349.478 4.434 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376892039 1023330601 /nfs/dbraw/zinc/33/06/01/1023330601.db2.gz GSCRKJHXXVXXBG-GJZGRUSLSA-N 1 0 337.423 4.032 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CCS2 ZINC000191505770 1023551409 /nfs/dbraw/zinc/55/14/09/1023551409.db2.gz LXSWXEPAGHPVDL-QGZVFWFLSA-N 1 0 346.471 4.227 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208057 1023643268 /nfs/dbraw/zinc/64/32/68/1023643268.db2.gz NSJWNWNQGQRNPL-SJLPKXTDSA-N 1 0 342.458 4.094 20 10 EICDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000194040983 1023743031 /nfs/dbraw/zinc/74/30/31/1023743031.db2.gz VXINUPMQQVCRLW-CYBMUJFWSA-N 1 0 330.394 4.096 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Br)cc1 ZINC000313263183 1024100935 /nfs/dbraw/zinc/10/09/35/1024100935.db2.gz ZDYNYFBAPAAKGS-IAQYHMDHSA-N 1 0 332.241 4.493 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)CO2 ZINC000756762447 1024461272 /nfs/dbraw/zinc/46/12/72/1024461272.db2.gz WXTJSDIAKPUCBC-XHDPSFHLSA-N 1 0 348.240 4.247 20 10 EICDRO CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C)cc1O ZINC000375647079 1025172501 /nfs/dbraw/zinc/17/25/01/1025172501.db2.gz BKSSLHZRYFBSOH-DQPZFDDXSA-N 1 0 329.444 4.159 20 10 EICDRO COc1ccccc1[C@@H](NCc1cc(C)c(C)cc1O)c1ccco1 ZINC000151119404 1025265468 /nfs/dbraw/zinc/26/54/68/1025265468.db2.gz QNAYXTHIOSXPIH-OAQYLSRUSA-N 1 0 337.419 4.490 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccccc1O ZINC000156856800 1025681413 /nfs/dbraw/zinc/68/14/13/1025681413.db2.gz XNLBKLGMSLGIML-LJQANCHMSA-N 1 0 329.440 4.048 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cncc(F)c1 ZINC000157515538 1025875009 /nfs/dbraw/zinc/87/50/09/1025875009.db2.gz IQHIVYVCWHVJPJ-MRXNPFEDSA-N 1 0 327.447 4.308 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(F)F)c(F)c2)c1 ZINC000894503197 1026084464 /nfs/dbraw/zinc/08/44/64/1026084464.db2.gz ZAIKLSZHVHNVNJ-SNVBAGLBSA-N 1 0 325.330 4.328 20 10 EICDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000168802396 1026212864 /nfs/dbraw/zinc/21/28/64/1026212864.db2.gz GZFVZTSAWUFDLI-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO COc1ccccc1CC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000729465351 1026317510 /nfs/dbraw/zinc/31/75/10/1026317510.db2.gz AKLIGVGOPXZSAG-UHFFFAOYSA-N 1 0 343.467 4.078 20 10 EICDRO COc1ccc(N2CCC[N@H+](CCc3ccccc3Cl)CC2)cc1 ZINC000302995795 1027451945 /nfs/dbraw/zinc/45/19/45/1027451945.db2.gz NGONTDTXVMZRDV-UHFFFAOYSA-N 1 0 344.886 4.103 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(C(F)(F)F)c1 ZINC000896612279 1027683990 /nfs/dbraw/zinc/68/39/90/1027683990.db2.gz JTXLGNHWUCPQBH-GOSISDBHSA-N 1 0 349.400 4.407 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)c(OC)c1 ZINC000327261306 1027693976 /nfs/dbraw/zinc/69/39/76/1027693976.db2.gz BQNZIQXAYLAPNQ-CQSZACIVSA-N 1 0 337.419 4.413 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(Br)cn1 ZINC000280981227 1028326132 /nfs/dbraw/zinc/32/61/32/1028326132.db2.gz LZXLEBWYGGEVDH-NXEZZACHSA-N 1 0 339.208 4.101 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281207401 1028440940 /nfs/dbraw/zinc/44/09/40/1028440940.db2.gz SJTJQEFCMJGASB-BXUZGUMPSA-N 1 0 335.245 4.352 20 10 EICDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000281839516 1028886386 /nfs/dbraw/zinc/88/63/86/1028886386.db2.gz ANUWOJRSWLBCDI-CYBMUJFWSA-N 1 0 346.906 4.206 20 10 EICDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317022 1029338096 /nfs/dbraw/zinc/33/80/96/1029338096.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 1 0 339.483 4.256 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)ccc2O)C2CCC2)cc1 ZINC000897079934 1029351625 /nfs/dbraw/zinc/35/16/25/1029351625.db2.gz LYYQUIUEFCGZJN-FQEVSTJZSA-N 1 0 327.424 4.040 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000475190095 1029358538 /nfs/dbraw/zinc/35/85/38/1029358538.db2.gz JJFWAQYRBYCWBN-OAHLLOKOSA-N 1 0 346.478 4.474 20 10 EICDRO CCN(CC)c1ncc(C[NH2+]Cc2c(C)c3ccccc3n2C)s1 ZINC000475193982 1029399681 /nfs/dbraw/zinc/39/96/81/1029399681.db2.gz DTRRTZBZDQANOI-UHFFFAOYSA-N 1 0 342.512 4.079 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000475200374 1029432946 /nfs/dbraw/zinc/43/29/46/1029432946.db2.gz ZICCHNNQABTPFL-UHFFFAOYSA-N 1 0 348.425 4.306 20 10 EICDRO CCCN(CCC)c1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1 ZINC000897392653 1029973797 /nfs/dbraw/zinc/97/37/97/1029973797.db2.gz JMGIFOBFHXMQDX-UHFFFAOYSA-N 1 0 327.472 4.046 20 10 EICDRO COc1ccc(C[NH2+][C@H](CC(C)C)c2ccccc2)c(O)c1OC ZINC000892415212 1030701910 /nfs/dbraw/zinc/70/19/10/1030701910.db2.gz DFJWLDHDUOWZPO-QGZVFWFLSA-N 1 0 329.440 4.286 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1O ZINC000192709385 1030713275 /nfs/dbraw/zinc/71/32/75/1030713275.db2.gz OFZBVWYCSJSGFR-INIZCTEOSA-N 1 0 347.462 4.260 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1OC ZINC000527770909 1030851710 /nfs/dbraw/zinc/85/17/10/1030851710.db2.gz HAWGJTNJBOUQRT-OAQYLSRUSA-N 1 0 340.467 4.258 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)OC)c1 ZINC000527930429 1030971646 /nfs/dbraw/zinc/97/16/46/1030971646.db2.gz UXGRTOQRYUQWGH-DNVCBOLYSA-N 1 0 329.440 4.056 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000527936712 1030978742 /nfs/dbraw/zinc/97/87/42/1030978742.db2.gz XNOBCLRVZHRLMT-ZWNOBZJWSA-N 1 0 347.768 4.005 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(F)cc1[O-] ZINC000527974621 1030987111 /nfs/dbraw/zinc/98/71/11/1030987111.db2.gz UKGWFJQPORSUFC-YVEFUNNKSA-N 1 0 333.403 4.350 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1O ZINC000528042778 1031057977 /nfs/dbraw/zinc/05/79/77/1031057977.db2.gz ISGQOMOWAKRSIO-FXAWDEMLSA-N 1 0 326.440 4.296 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C2CC2)cn1 ZINC000528043650 1031059897 /nfs/dbraw/zinc/05/98/97/1031059897.db2.gz OZTVDKODSXACIJ-UYHHGJEOSA-N 1 0 342.414 4.224 20 10 EICDRO CC1CCC([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)CC1 ZINC001168203179 1031257993 /nfs/dbraw/zinc/25/79/93/1031257993.db2.gz HISILTKRXSYECU-IZVDZAFVSA-N 1 0 340.467 4.007 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)ccc1O ZINC000359958558 1031901485 /nfs/dbraw/zinc/90/14/85/1031901485.db2.gz KKLLXWCTSHWKSW-LBPRGKRZSA-N 1 0 327.815 4.287 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)ccc1O ZINC000359958557 1031903398 /nfs/dbraw/zinc/90/33/98/1031903398.db2.gz KKLLXWCTSHWKSW-GFCCVEGCSA-N 1 0 327.815 4.287 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000236961433 1033712635 /nfs/dbraw/zinc/71/26/35/1033712635.db2.gz MCMBNBNDYLVJGM-FQEVSTJZSA-N 1 0 341.499 4.053 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1O ZINC000894157090 1034396854 /nfs/dbraw/zinc/39/68/54/1034396854.db2.gz VHEPFGWIFIKXSC-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2oc3ccc(F)cc3c2C)c1O ZINC000894203028 1034675866 /nfs/dbraw/zinc/67/58/66/1034675866.db2.gz OSWZKCJQHCQLSC-UHFFFAOYSA-N 1 0 329.371 4.193 20 10 EICDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000237091446 1034794931 /nfs/dbraw/zinc/79/49/31/1034794931.db2.gz CTDLUACJWCMZFK-INIZCTEOSA-N 1 0 344.524 4.342 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000237091762 1034798909 /nfs/dbraw/zinc/79/89/09/1034798909.db2.gz QGQPYSIGDDEIQX-UHFFFAOYSA-N 1 0 338.373 4.249 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)c1O ZINC000894212446 1034809850 /nfs/dbraw/zinc/80/98/50/1034809850.db2.gz ALZZVFDYRGVGOJ-UHFFFAOYSA-N 1 0 343.467 4.314 20 10 EICDRO CN1CCC([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000237109584 1034817003 /nfs/dbraw/zinc/81/70/03/1034817003.db2.gz HXOIPSCHWGPCFJ-UHFFFAOYSA-N 1 0 332.532 4.171 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000156342137 1035892273 /nfs/dbraw/zinc/89/22/73/1035892273.db2.gz OLEVVDHZMUEWQL-WBVHZDCISA-N 1 0 327.449 4.381 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000761193421 1036004774 /nfs/dbraw/zinc/00/47/74/1036004774.db2.gz BLDGATHFOQCRMZ-GOSISDBHSA-N 1 0 347.842 4.018 20 10 EICDRO CC[N@H+](CCc1cccs1)Cc1cc(Cl)cc(OC)c1O ZINC000761192664 1036005479 /nfs/dbraw/zinc/00/54/79/1036005479.db2.gz XVDMBQAFURMAJK-UHFFFAOYSA-N 1 0 325.861 4.180 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000761195222 1036020817 /nfs/dbraw/zinc/02/08/17/1036020817.db2.gz JXQGXEAKYGRKBF-MRXNPFEDSA-N 1 0 333.815 4.097 20 10 EICDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000156864747 1036465045 /nfs/dbraw/zinc/46/50/45/1036465045.db2.gz DJYYDVVDGIIAGG-JXFKEZNVSA-N 1 0 344.524 4.297 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000475192991 1036782643 /nfs/dbraw/zinc/78/26/43/1036782643.db2.gz HZEUDGNEBPZPSJ-BHIYHBOVSA-N 1 0 326.484 4.172 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N2CCCCC2)cc1 ZINC000165702829 1036902733 /nfs/dbraw/zinc/90/27/33/1036902733.db2.gz WBXGUORNEBBXIY-QAPCUYQASA-N 1 0 336.570 4.176 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)ccc1OC ZINC000272265032 1037148640 /nfs/dbraw/zinc/14/86/40/1037148640.db2.gz JQSMCZWJTISVSS-SFHVURJKSA-N 1 0 347.455 4.001 20 10 EICDRO CCOCCOCc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000273435727 1037463230 /nfs/dbraw/zinc/46/32/30/1037463230.db2.gz WYHHIGBYGFMDLV-KRWDZBQOSA-N 1 0 343.467 4.105 20 10 EICDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273483337 1037481761 /nfs/dbraw/zinc/48/17/61/1037481761.db2.gz MPHXJEISNIZTEF-FZKQIMNGSA-N 1 0 327.424 4.138 20 10 EICDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273549123 1037502905 /nfs/dbraw/zinc/50/29/05/1037502905.db2.gz FPISRHIISAPGJW-NEPJUHHUSA-N 1 0 327.346 4.163 20 10 EICDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273549127 1037503275 /nfs/dbraw/zinc/50/32/75/1037503275.db2.gz FPISRHIISAPGJW-VXGBXAGGSA-N 1 0 327.346 4.163 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000273560443 1037507203 /nfs/dbraw/zinc/50/72/03/1037507203.db2.gz HYMZKRNLISVZHI-DOMZBBRYSA-N 1 0 348.878 4.165 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Br)cc1O ZINC000273612121 1037522021 /nfs/dbraw/zinc/52/20/21/1037522021.db2.gz WHPKBZPZGHAOID-BMIGLBTASA-N 1 0 348.240 4.198 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(Br)s2)c1 ZINC000230659401 1038223340 /nfs/dbraw/zinc/22/33/40/1038223340.db2.gz DRJYQTKLWNSIIX-NSHDSACASA-N 1 0 340.286 4.418 20 10 EICDRO CCOCCCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000155217187 1040578784 /nfs/dbraw/zinc/57/87/84/1040578784.db2.gz SXIWLZVJVRHIBA-CQSZACIVSA-N 1 0 330.266 4.012 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccsc1Cl ZINC000312777480 1042583632 /nfs/dbraw/zinc/58/36/32/1042583632.db2.gz ZVYDXYQZPOGYKL-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000152594516 1042913427 /nfs/dbraw/zinc/91/34/27/1042913427.db2.gz VYQNPMLDMHCYTO-SFHVURJKSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000766030766 1043061233 /nfs/dbraw/zinc/06/12/33/1043061233.db2.gz XGTRLFYLRGJSRA-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](CC)Cc2ccccc2)ccc1OC ZINC000727838516 1043312646 /nfs/dbraw/zinc/31/26/46/1043312646.db2.gz AFXUDSVYEJYVNI-FQEVSTJZSA-N 1 0 327.468 4.343 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188537 1043380889 /nfs/dbraw/zinc/38/08/89/1043380889.db2.gz RLNPTSPVNPSMFY-QRWLVFNGSA-N 1 0 340.467 4.326 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000701060738 1043693857 /nfs/dbraw/zinc/69/38/57/1043693857.db2.gz WCBUXSRVRXISQB-UHFFFAOYSA-N 1 0 334.204 4.070 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cc1 ZINC000731360586 1043740617 /nfs/dbraw/zinc/74/06/17/1043740617.db2.gz JOCFKMBRUGGOCB-UHFFFAOYSA-N 1 0 330.447 4.360 20 10 EICDRO COC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731847368 1043834456 /nfs/dbraw/zinc/83/44/56/1043834456.db2.gz JNQOQRQCNNFMBK-UHFFFAOYSA-N 1 0 339.435 4.124 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000701943604 1043857555 /nfs/dbraw/zinc/85/75/55/1043857555.db2.gz IFXVUIOJDLLSHP-SKDRFNHKSA-N 1 0 334.204 4.241 20 10 EICDRO c1csc(SCCC[NH2+][C@H]2CSCCc3ccccc32)n1 ZINC000766071731 1043877268 /nfs/dbraw/zinc/87/72/68/1043877268.db2.gz AICVGMQEVFWOFU-HNNXBMFYSA-N 1 0 336.551 4.246 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000732202031 1043885366 /nfs/dbraw/zinc/88/53/66/1043885366.db2.gz DYNHJIOAUIXPNH-SFHVURJKSA-N 1 0 325.452 4.469 20 10 EICDRO COc1ccc(OCC[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000732205048 1043887145 /nfs/dbraw/zinc/88/71/45/1043887145.db2.gz YHDSMCMPRCOLSS-UHFFFAOYSA-N 1 0 341.451 4.224 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)c(OC)c1 ZINC000732487105 1043924521 /nfs/dbraw/zinc/92/45/21/1043924521.db2.gz HUOYENOTGILZOE-LJQANCHMSA-N 1 0 341.451 4.363 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000732919292 1044035740 /nfs/dbraw/zinc/03/57/40/1044035740.db2.gz AFXXWUKNJPWODK-CQSZACIVSA-N 1 0 346.421 4.293 20 10 EICDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N(C)C)c(F)c3)c21 ZINC000733327046 1044187760 /nfs/dbraw/zinc/18/77/60/1044187760.db2.gz LYKIMVYGBJHYBG-UHFFFAOYSA-N 1 0 325.431 4.014 20 10 EICDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000733326153 1044190038 /nfs/dbraw/zinc/19/00/38/1044190038.db2.gz LJZNTARFWFNZKC-UHFFFAOYSA-N 1 0 330.859 4.326 20 10 EICDRO CCN(CC)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccsc1 ZINC000733324670 1044190803 /nfs/dbraw/zinc/19/08/03/1044190803.db2.gz RSDJWXFAQRJOHA-MRXNPFEDSA-N 1 0 338.904 4.280 20 10 EICDRO Cc1ccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCCC2)cc1 ZINC000733326385 1044192102 /nfs/dbraw/zinc/19/21/02/1044192102.db2.gz ZRBKLJZBLHUTPF-IBGZPJMESA-N 1 0 344.886 4.281 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000733328345 1044193919 /nfs/dbraw/zinc/19/39/19/1044193919.db2.gz RLYDWCDIMQRXBT-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO CC[C@@H]([NH2+]C1CCC(OC)CC1)c1cc(Br)ccc1O ZINC000703798061 1044316034 /nfs/dbraw/zinc/31/60/34/1044316034.db2.gz WDUVYCKVSSDSBU-SSDMNJCBSA-N 1 0 342.277 4.153 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138498 1044329721 /nfs/dbraw/zinc/32/97/21/1044329721.db2.gz OLSXYZRBLHKFKX-FGZHOGPDSA-N 1 0 348.494 4.431 20 10 EICDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000734143824 1044502078 /nfs/dbraw/zinc/50/20/78/1044502078.db2.gz HYEBHLVYMQFQMW-IBGZPJMESA-N 1 0 332.447 4.456 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000691409382 1044659559 /nfs/dbraw/zinc/65/95/59/1044659559.db2.gz DZLKTMPBXGSXJJ-QGZVFWFLSA-N 1 0 332.241 4.396 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)cc1C(C)C ZINC000840145704 1044682165 /nfs/dbraw/zinc/68/21/65/1044682165.db2.gz MWAFZJJKDVPKJL-UHFFFAOYSA-N 1 0 349.515 4.230 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000734848421 1044699710 /nfs/dbraw/zinc/69/97/10/1044699710.db2.gz HHJRWUCJRUCLOF-LJQANCHMSA-N 1 0 327.468 4.124 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2csc(C(F)(F)F)c2)c1O ZINC000895410135 1044733316 /nfs/dbraw/zinc/73/33/16/1044733316.db2.gz DKXUPUAFVBFWKH-UHFFFAOYSA-N 1 0 331.359 4.079 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)c1 ZINC000895580889 1044818486 /nfs/dbraw/zinc/81/84/86/1044818486.db2.gz KQTWSIWMEAIFJD-UHFFFAOYSA-N 1 0 348.468 4.399 20 10 EICDRO CC[NH+](CC)CCOc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000735675721 1044853083 /nfs/dbraw/zinc/85/30/83/1044853083.db2.gz MZLZTNUADLGKKX-UHFFFAOYSA-N 1 0 348.874 4.378 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736589208 1044957343 /nfs/dbraw/zinc/95/73/43/1044957343.db2.gz DONJKCPSQSJTTA-MRXNPFEDSA-N 1 0 336.410 4.144 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC000738269397 1045049389 /nfs/dbraw/zinc/04/93/89/1045049389.db2.gz NAAFFRDWMFJULI-QGZVFWFLSA-N 1 0 341.426 4.243 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@H](c3ccccc3)C1)CCC2 ZINC000738247782 1045051552 /nfs/dbraw/zinc/05/15/52/1045051552.db2.gz YYXMAHSLLNODBE-FQEVSTJZSA-N 1 0 325.477 4.171 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2ccc(C(=O)OC)o2)cc1 ZINC000738299846 1045055279 /nfs/dbraw/zinc/05/52/79/1045055279.db2.gz RDXPNMDWVYKMNP-OAHLLOKOSA-N 1 0 344.455 4.105 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1F ZINC000740003064 1045174294 /nfs/dbraw/zinc/17/42/94/1045174294.db2.gz UMKIVDGYXJJJHK-LJQANCHMSA-N 1 0 349.519 4.126 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000915224939 1045197177 /nfs/dbraw/zinc/19/71/77/1045197177.db2.gz ZTECCGJXDPKBJR-NRFANRHFSA-N 1 0 344.474 4.275 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000915228274 1045198936 /nfs/dbraw/zinc/19/89/36/1045198936.db2.gz WQAPHVQJGLKUOK-QFIPXVFZSA-N 1 0 338.495 4.372 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000915229711 1045202017 /nfs/dbraw/zinc/20/20/17/1045202017.db2.gz MVOSWYSGRODWPJ-LJQANCHMSA-N 1 0 348.494 4.088 20 10 EICDRO Cc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(C)c1 ZINC000915229763 1045202305 /nfs/dbraw/zinc/20/23/05/1045202305.db2.gz QIJXOCOEXRJQFO-NRFANRHFSA-N 1 0 348.494 4.303 20 10 EICDRO OCC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000740898987 1045241200 /nfs/dbraw/zinc/24/12/00/1045241200.db2.gz KFHSWWIVLGKDNQ-OAQYLSRUSA-N 1 0 347.458 4.315 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1F ZINC000762636061 1045321123 /nfs/dbraw/zinc/32/11/23/1045321123.db2.gz XDAHETTUKKXCLA-UHFFFAOYSA-N 1 0 334.385 4.339 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1O ZINC000237414793 1045383612 /nfs/dbraw/zinc/38/36/12/1045383612.db2.gz IDFIMUDCIWFRBR-CQSZACIVSA-N 1 0 335.856 4.381 20 10 EICDRO Oc1ccc(Cl)c(F)c1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000790980649 1045665423 /nfs/dbraw/zinc/66/54/23/1045665423.db2.gz DSSZHQWMKYHVCB-UHFFFAOYSA-N 1 0 348.849 4.435 20 10 EICDRO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000767928874 1045684616 /nfs/dbraw/zinc/68/46/16/1045684616.db2.gz XYSPTZBSPVJRRE-QFIPXVFZSA-N 1 0 333.431 4.191 20 10 EICDRO Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000768163466 1045730253 /nfs/dbraw/zinc/73/02/53/1045730253.db2.gz YZZNFZMWHHVZFI-LJQANCHMSA-N 1 0 329.415 4.021 20 10 EICDRO CCOc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(O)c1 ZINC000768202881 1045740436 /nfs/dbraw/zinc/74/04/36/1045740436.db2.gz CPEOFRQIMZQKAX-KRWDZBQOSA-N 1 0 347.480 4.034 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1c(O)cccc1Cl ZINC000768204217 1045744548 /nfs/dbraw/zinc/74/45/48/1045744548.db2.gz SHIUSYXCIZLEND-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO COc1cccc(O)c1C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000768258674 1045767071 /nfs/dbraw/zinc/76/70/71/1045767071.db2.gz VIVJIIAIIKTKCH-CZUORRHYSA-N 1 0 327.424 4.282 20 10 EICDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258145 1045769880 /nfs/dbraw/zinc/76/98/80/1045769880.db2.gz QQPLYMUIUSWUSV-WBMJQRKESA-N 1 0 341.407 4.002 20 10 EICDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768441919 1045806887 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337.872 4.288 20 10 EICDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787331802 1046981153 /nfs/dbraw/zinc/98/11/53/1046981153.db2.gz GTHIJRZEWUENRP-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO CC[C@H](c1ccccc1OC)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000805833823 1047023470 /nfs/dbraw/zinc/02/34/70/1047023470.db2.gz AYDALWWQZIAKGQ-GOSISDBHSA-N 1 0 345.414 4.326 20 10 EICDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000746714526 1047068310 /nfs/dbraw/zinc/06/83/10/1047068310.db2.gz UAAWXFFTFUDOJG-IBGZPJMESA-N 1 0 325.452 4.225 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)cc(F)c1[O-] ZINC000806179719 1047200488 /nfs/dbraw/zinc/20/04/88/1047200488.db2.gz VGDLYTCEGNEPPJ-ZJUUUORDSA-N 1 0 348.281 4.088 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000788500761 1047203735 /nfs/dbraw/zinc/20/37/35/1047203735.db2.gz CUUGHFGVALNWRY-ZWKOTPCHSA-N 1 0 342.483 4.480 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788613466 1047248222 /nfs/dbraw/zinc/24/82/22/1047248222.db2.gz XFWMMSPZMOVDQE-HOTGVXAUSA-N 1 0 348.487 4.059 20 10 EICDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000788980423 1047351141 /nfs/dbraw/zinc/35/11/41/1047351141.db2.gz NNXFWYHQDDIHFG-CQSZACIVSA-N 1 0 330.394 4.254 20 10 EICDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000788979431 1047351154 /nfs/dbraw/zinc/35/11/54/1047351154.db2.gz GLCHAQPWZNTJOA-GFCCVEGCSA-N 1 0 334.357 4.003 20 10 EICDRO C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)CCC2 ZINC000918182483 1047371271 /nfs/dbraw/zinc/37/12/71/1047371271.db2.gz RWAVGPNSONUHKN-UHFFFAOYSA-N 1 0 346.268 4.275 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H]1CCCO1 ZINC000789722572 1047468685 /nfs/dbraw/zinc/46/86/85/1047468685.db2.gz MLXUKJZPQZXXEE-LJQANCHMSA-N 1 0 336.435 4.055 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)n1 ZINC000093444905 1047547264 /nfs/dbraw/zinc/54/72/64/1047547264.db2.gz UOHJBMPQKWGIEI-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000154871507 1047724830 /nfs/dbraw/zinc/72/48/30/1047724830.db2.gz IWMVRKYCFWEKNB-QZTJIDSGSA-N 1 0 328.456 4.253 20 10 EICDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824370677 1047863143 /nfs/dbraw/zinc/86/31/43/1047863143.db2.gz NPAJPNNRESMJTP-WMZOPIPTSA-N 1 0 344.524 4.147 20 10 EICDRO Cc1ccoc1CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814174298 1047867090 /nfs/dbraw/zinc/86/70/90/1047867090.db2.gz CKXWYZMOFIHHHH-UHFFFAOYSA-N 1 0 343.427 4.119 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000824468211 1047876972 /nfs/dbraw/zinc/87/69/72/1047876972.db2.gz GVKSJQHRWBPKSW-BBATYDOGSA-N 1 0 333.378 4.407 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)CCC2 ZINC001171057004 1047877569 /nfs/dbraw/zinc/87/75/69/1047877569.db2.gz ROCLDGJSNDXRED-MRXNPFEDSA-N 1 0 343.854 4.057 20 10 EICDRO COCc1ccccc1/C=C(/C)C[NH2+]CCCSc1nccs1 ZINC000814293109 1047942104 /nfs/dbraw/zinc/94/21/04/1047942104.db2.gz FEMCOPXMHRWKRP-QINSGFPZSA-N 1 0 348.537 4.465 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000824790249 1047969997 /nfs/dbraw/zinc/96/99/97/1047969997.db2.gz PEASCNAPSPAVOE-UHFFFAOYSA-N 1 0 336.495 4.169 20 10 EICDRO Cc1ccncc1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824909885 1047982757 /nfs/dbraw/zinc/98/27/57/1047982757.db2.gz QONOXGCCKIJDGD-UHFFFAOYSA-N 1 0 337.492 4.378 20 10 EICDRO CCOc1ccc(N2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)cc1 ZINC001136975765 1048010079 /nfs/dbraw/zinc/01/00/79/1048010079.db2.gz QMWAMEQHARYMEF-UHFFFAOYSA-N 1 0 349.478 4.197 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045701 1048023969 /nfs/dbraw/zinc/02/39/69/1048023969.db2.gz JNMAQIQEZKLVBN-GFCCVEGCSA-N 1 0 327.733 4.240 20 10 EICDRO CCc1ncc(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)o1 ZINC000825079059 1048033226 /nfs/dbraw/zinc/03/32/26/1048033226.db2.gz KLQSEOLXZIVSSN-UHFFFAOYSA-N 1 0 341.480 4.225 20 10 EICDRO CCc1ncc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)o1 ZINC000825078962 1048033272 /nfs/dbraw/zinc/03/32/72/1048033272.db2.gz HTIVGHBLFBLHEC-UHFFFAOYSA-N 1 0 347.462 4.090 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1O ZINC000808680127 1048034808 /nfs/dbraw/zinc/03/48/08/1048034808.db2.gz CQRYAAYWZZHBAN-KBPBESRZSA-N 1 0 331.843 4.256 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1O ZINC000808681407 1048035072 /nfs/dbraw/zinc/03/50/72/1048035072.db2.gz ALGBJAWKNJUVEI-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1ccn2cc(C[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)nc2c1 ZINC000808690274 1048039025 /nfs/dbraw/zinc/03/90/25/1048039025.db2.gz CIFHFLBHRSMINT-CYBMUJFWSA-N 1 0 329.831 4.161 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000825143734 1048041843 /nfs/dbraw/zinc/04/18/43/1048041843.db2.gz IHTQFAYJOIUPPH-SWLSCSKDSA-N 1 0 331.378 4.268 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC000808705511 1048050716 /nfs/dbraw/zinc/05/07/16/1048050716.db2.gz JBIOUODTZDVJOO-FZKQIMNGSA-N 1 0 331.843 4.319 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3n2C)c1O ZINC000808707339 1048052997 /nfs/dbraw/zinc/05/29/97/1048052997.db2.gz MDCCRVKOBYVUGQ-NSHDSACASA-N 1 0 347.821 4.231 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825190761 1048053525 /nfs/dbraw/zinc/05/35/25/1048053525.db2.gz OOZUCTPBYZUQSK-JEBQAFNWSA-N 1 0 336.426 4.035 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c1O ZINC000808706274 1048053661 /nfs/dbraw/zinc/05/36/61/1048053661.db2.gz GKLPHZBMRYCJJM-JJRVBVJISA-N 1 0 325.880 4.336 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000808710691 1048057281 /nfs/dbraw/zinc/05/72/81/1048057281.db2.gz VKFMCLXBAIKKGE-YDEYXMKJSA-N 1 0 343.945 4.384 20 10 EICDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000808761932 1048090546 /nfs/dbraw/zinc/09/05/46/1048090546.db2.gz VACROGMVCFKRBN-IBGZPJMESA-N 1 0 345.414 4.326 20 10 EICDRO CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000155112657 1048174108 /nfs/dbraw/zinc/17/41/08/1048174108.db2.gz SMTVJMIYBOLVTN-LJQANCHMSA-N 1 0 325.452 4.181 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000815119024 1048333300 /nfs/dbraw/zinc/33/33/00/1048333300.db2.gz VIJMTMDOKUPMEK-INIZCTEOSA-N 1 0 342.483 4.319 20 10 EICDRO Cc1cnc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)s1 ZINC000815101731 1048345211 /nfs/dbraw/zinc/34/52/11/1048345211.db2.gz ABOIHVNMLCJNMI-UHFFFAOYSA-N 1 0 329.513 4.206 20 10 EICDRO Oc1ccccc1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815158871 1048355376 /nfs/dbraw/zinc/35/53/76/1048355376.db2.gz CTFIEKJITPOCDY-UHFFFAOYSA-N 1 0 349.833 4.066 20 10 EICDRO COc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1O ZINC000809694677 1048458211 /nfs/dbraw/zinc/45/82/11/1048458211.db2.gz SYNLHHUHYLDHLB-YJBOKZPZSA-N 1 0 341.451 4.383 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000809713411 1048491755 /nfs/dbraw/zinc/49/17/55/1048491755.db2.gz PJQVDPLHUCSUDG-OWOJBTEDSA-N 1 0 336.204 4.097 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1sccc1Cl ZINC000809713164 1048492211 /nfs/dbraw/zinc/49/22/11/1048492211.db2.gz KJBJAPMOXGGUFX-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000809719021 1048495955 /nfs/dbraw/zinc/49/59/55/1048495955.db2.gz VBKJALDKBFTSGF-IBGZPJMESA-N 1 0 349.434 4.478 20 10 EICDRO CC[N@H+](Cc1ccncc1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809726362 1048499052 /nfs/dbraw/zinc/49/90/52/1048499052.db2.gz HIRRAHNNOPQHLK-UHFFFAOYSA-N 1 0 337.389 4.189 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)c1O ZINC000809769392 1048501682 /nfs/dbraw/zinc/50/16/82/1048501682.db2.gz FXHWTAFNWDSMGX-UHFFFAOYSA-N 1 0 331.284 4.287 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768567 1048502736 /nfs/dbraw/zinc/50/27/36/1048502736.db2.gz OUXQDVCUZXJRPX-LJQANCHMSA-N 1 0 344.478 4.349 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)c1O ZINC000809739437 1048510534 /nfs/dbraw/zinc/51/05/34/1048510534.db2.gz KPXZCYQRHURWMJ-UHFFFAOYSA-N 1 0 343.370 4.303 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000809739739 1048513379 /nfs/dbraw/zinc/51/33/79/1048513379.db2.gz CGOPWGQZLSZECU-UHFFFAOYSA-N 1 0 342.483 4.317 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)c1O ZINC000809740758 1048513688 /nfs/dbraw/zinc/51/36/88/1048513688.db2.gz CTOQPKXHXLCYEO-DLBZAZTESA-N 1 0 331.843 4.480 20 10 EICDRO C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000815578987 1048518161 /nfs/dbraw/zinc/51/81/61/1048518161.db2.gz BZHZARVAUQJGCZ-CTNGQTDRSA-N 1 0 325.452 4.082 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000809757650 1048521749 /nfs/dbraw/zinc/52/17/49/1048521749.db2.gz QLGVLTQKEFPTBF-KRWDZBQOSA-N 1 0 343.471 4.248 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000815582716 1048522151 /nfs/dbraw/zinc/52/21/51/1048522151.db2.gz NRLUDYLVEXMMKF-SBHAEUEKSA-N 1 0 339.479 4.207 20 10 EICDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1O ZINC000809766024 1048526279 /nfs/dbraw/zinc/52/62/79/1048526279.db2.gz SJKLGFPAZVRBMB-OAHLLOKOSA-N 1 0 335.245 4.133 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)c1 ZINC000809783402 1048529656 /nfs/dbraw/zinc/52/96/56/1048529656.db2.gz BIMYBFWIHBHJOQ-LJQANCHMSA-N 1 0 329.440 4.383 20 10 EICDRO CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000815596429 1048530025 /nfs/dbraw/zinc/53/00/25/1048530025.db2.gz TYGFOTIXVDMKBY-FQEVSTJZSA-N 1 0 339.479 4.472 20 10 EICDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)c2ccccc21 ZINC000815599458 1048532060 /nfs/dbraw/zinc/53/20/60/1048532060.db2.gz TZQGSJDPDAHGBH-YJBOKZPZSA-N 1 0 338.451 4.158 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788516 1048534528 /nfs/dbraw/zinc/53/45/28/1048534528.db2.gz SLMDEUYEMYZRIU-ZBEGNZNMSA-N 1 0 348.240 4.075 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCOC(F)F ZINC000815623714 1048549622 /nfs/dbraw/zinc/54/96/22/1048549622.db2.gz FMWLIHUIWFEXHA-KRWDZBQOSA-N 1 0 335.394 4.285 20 10 EICDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815647167 1048569440 /nfs/dbraw/zinc/56/94/40/1048569440.db2.gz BBAHNLDESVXWGP-CQSZACIVSA-N 1 0 344.421 4.328 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815643859 1048570317 /nfs/dbraw/zinc/57/03/17/1048570317.db2.gz MZHMHZMYSHMBAB-ZIAGYGMSSA-N 1 0 325.387 4.129 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1O ZINC000810221129 1048688502 /nfs/dbraw/zinc/68/85/02/1048688502.db2.gz APMAXSRQSXMPNB-MLGOLLRUSA-N 1 0 338.373 4.478 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(Cl)c1 ZINC000810225430 1048694671 /nfs/dbraw/zinc/69/46/71/1048694671.db2.gz CZMJIUJVAGJHEO-SFHVURJKSA-N 1 0 332.875 4.192 20 10 EICDRO C[N@H+](Cc1c(O)cc(O)cc1O)C(c1ccccc1)c1ccccc1 ZINC001144500634 1048699617 /nfs/dbraw/zinc/69/96/17/1048699617.db2.gz XBNYHOQGYVWKBO-UHFFFAOYSA-N 1 0 335.403 4.025 20 10 EICDRO CC[C@@H]([NH2+]CCc1csc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810209651 1048706656 /nfs/dbraw/zinc/70/66/56/1048706656.db2.gz HMWMXHYQCPZHCZ-CQSZACIVSA-N 1 0 344.402 4.459 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810236612 1048718108 /nfs/dbraw/zinc/71/81/08/1048718108.db2.gz JBKKEZQQBDYJEY-UONOGXRCSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000810247613 1048727172 /nfs/dbraw/zinc/72/71/72/1048727172.db2.gz KUMXUHDPXFZYAE-WSTZPKSXSA-N 1 0 345.870 4.253 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000845971031 1048771672 /nfs/dbraw/zinc/77/16/72/1048771672.db2.gz GOZGMJZTKCOOIL-XXYUJHKVSA-N 1 0 342.395 4.063 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846052167 1048806721 /nfs/dbraw/zinc/80/67/21/1048806721.db2.gz LVLXRIDWWZSIKM-QGZVFWFLSA-N 1 0 345.414 4.322 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1-c1ccnn1C ZINC000816480591 1048811000 /nfs/dbraw/zinc/81/10/00/1048811000.db2.gz QJJNIPCZOWXCRI-UHFFFAOYSA-N 1 0 348.494 4.175 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c1O ZINC000846148406 1048823220 /nfs/dbraw/zinc/82/32/20/1048823220.db2.gz YUWLUQPALIURAB-JKSUJKDBSA-N 1 0 342.483 4.181 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000846149566 1048823464 /nfs/dbraw/zinc/82/34/64/1048823464.db2.gz JOPDIEUOIWLXBV-RWMBFGLXSA-N 1 0 331.378 4.420 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1O ZINC000846148405 1048823517 /nfs/dbraw/zinc/82/35/17/1048823517.db2.gz YUWLUQPALIURAB-HZPDHXFCSA-N 1 0 342.483 4.181 20 10 EICDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846149898 1048823784 /nfs/dbraw/zinc/82/37/84/1048823784.db2.gz SWBWVGIDNBMWNU-SUMWQHHRSA-N 1 0 327.424 4.138 20 10 EICDRO Oc1c(C[NH2+]CCCOc2ccccc2F)ccc2ccccc21 ZINC000816530854 1048826221 /nfs/dbraw/zinc/82/62/21/1048826221.db2.gz XVMIXSJXLIATHA-UHFFFAOYSA-N 1 0 325.383 4.243 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000846161968 1048827161 /nfs/dbraw/zinc/82/71/61/1048827161.db2.gz DFHKIFGMBLDSSI-URKNILKWSA-N 1 0 345.414 4.111 20 10 EICDRO COc1ccc(OCCC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816540464 1048827308 /nfs/dbraw/zinc/82/73/08/1048827308.db2.gz MHSWCFXKYQYJBV-UHFFFAOYSA-N 1 0 337.419 4.113 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000846168004 1048828046 /nfs/dbraw/zinc/82/80/46/1048828046.db2.gz PWMGBBJBAMOQCW-DYVFJYSZSA-N 1 0 348.874 4.008 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170249 1048828218 /nfs/dbraw/zinc/82/82/18/1048828218.db2.gz KDHLJHZARYQKBM-BLLLJJGKSA-N 1 0 335.831 4.093 20 10 EICDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846142027 1048830479 /nfs/dbraw/zinc/83/04/79/1048830479.db2.gz UNGARKBKINFFIC-OAHLLOKOSA-N 1 0 329.440 4.178 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C(C)C)cc1 ZINC000846137997 1048830644 /nfs/dbraw/zinc/83/06/44/1048830644.db2.gz VXPJRSXFYNQFJB-IFXJQAMLSA-N 1 0 329.440 4.457 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)c1O ZINC000846142372 1048831756 /nfs/dbraw/zinc/83/17/56/1048831756.db2.gz SDXFLMXJVWZGAM-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000846142520 1048831877 /nfs/dbraw/zinc/83/18/77/1048831877.db2.gz VBSIUHDAQCWNBE-BOFPYLFWSA-N 1 0 345.414 4.111 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000846144151 1048832985 /nfs/dbraw/zinc/83/29/85/1048832985.db2.gz GEKIUKPGGUMXIT-GUYCJALGSA-N 1 0 348.874 4.008 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000846144143 1048833405 /nfs/dbraw/zinc/83/34/05/1048833405.db2.gz GEKIUKPGGUMXIT-CXAGYDPISA-N 1 0 348.874 4.008 20 10 EICDRO C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816556946 1048833490 /nfs/dbraw/zinc/83/34/90/1048833490.db2.gz YVELMJFNNCGTBR-UZLBHIALSA-N 1 0 335.447 4.190 20 10 EICDRO Oc1c(C[NH2+]CCCSc2nccs2)ccc2ccccc21 ZINC000816552933 1048834178 /nfs/dbraw/zinc/83/41/78/1048834178.db2.gz BTBUMBHSONPDGM-UHFFFAOYSA-N 1 0 330.478 4.274 20 10 EICDRO Oc1c(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc2ccccc21 ZINC000816571143 1048839292 /nfs/dbraw/zinc/83/92/92/1048839292.db2.gz SYVXSQUVZFIZOT-UHFFFAOYSA-N 1 0 333.431 4.029 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1O ZINC000846203998 1048840986 /nfs/dbraw/zinc/84/09/86/1048840986.db2.gz PPNAAHKEOGZWTF-QBIMZIAESA-N 1 0 346.858 4.320 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(Cl)ccc1O ZINC000846201293 1048841386 /nfs/dbraw/zinc/84/13/86/1048841386.db2.gz NKGREZQFQLNSII-SUMDDJOVSA-N 1 0 346.858 4.402 20 10 EICDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc3ccccc3c2O)o1 ZINC000816610583 1048844247 /nfs/dbraw/zinc/84/42/47/1048844247.db2.gz QBAJEOSXCNKXQQ-UHFFFAOYSA-N 1 0 338.451 4.011 20 10 EICDRO COC1(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000816638475 1048846679 /nfs/dbraw/zinc/84/66/79/1048846679.db2.gz NMUPAULRYYQBAS-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO OCC1CCN(c2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)CC1 ZINC000817407279 1048959859 /nfs/dbraw/zinc/95/98/59/1048959859.db2.gz IGXXBGKWUMXAKC-UHFFFAOYSA-N 1 0 342.527 4.098 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Br)ccc1O ZINC000817589547 1049018172 /nfs/dbraw/zinc/01/81/72/1049018172.db2.gz OEXDFIZEEPXUJX-INIZCTEOSA-N 1 0 349.272 4.407 20 10 EICDRO CCCCOc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000817956399 1049067258 /nfs/dbraw/zinc/06/72/58/1049067258.db2.gz YGFJIUHKEYKAEA-MRXNPFEDSA-N 1 0 342.483 4.350 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966446 1049071976 /nfs/dbraw/zinc/07/19/76/1049071976.db2.gz OBQAIPLVTCPUCN-GDBMZVCRSA-N 1 0 331.287 4.129 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000817975195 1049076018 /nfs/dbraw/zinc/07/60/18/1049076018.db2.gz JZODSMXSAIVMSA-CXAGYDPISA-N 1 0 326.440 4.236 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985409 1049079167 /nfs/dbraw/zinc/07/91/67/1049079167.db2.gz JUQDYWVUTCYLPZ-SWLSCSKDSA-N 1 0 343.298 4.414 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985334 1049080108 /nfs/dbraw/zinc/08/01/08/1049080108.db2.gz CQAAUCUCZFUSFF-YFCNSXCBSA-N 1 0 343.298 4.128 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3c(F)cc(C)cc3F)CC2)cc1 ZINC000818191360 1049103315 /nfs/dbraw/zinc/10/33/15/1049103315.db2.gz YWBZSEBETIEVHB-UHFFFAOYSA-N 1 0 346.421 4.040 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518412 1049103566 /nfs/dbraw/zinc/10/35/66/1049103566.db2.gz JPAHZSBVCAAWGC-RTWAWAEBSA-N 1 0 340.511 4.210 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cscc3Cl)C2)cc1 ZINC000818219367 1049112624 /nfs/dbraw/zinc/11/26/24/1049112624.db2.gz CLZFCLFOLMOBOI-CYBMUJFWSA-N 1 0 336.888 4.026 20 10 EICDRO COc1cccc(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)c1O ZINC000811506934 1049116643 /nfs/dbraw/zinc/11/66/43/1049116643.db2.gz LLAORKVAGDJFHQ-JLHYYAGUSA-N 1 0 349.377 4.195 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(C)oc3C)C2)cc1 ZINC000818342657 1049134560 /nfs/dbraw/zinc/13/45/60/1049134560.db2.gz UHRUNUGJMJKLIU-DOTOQJQBSA-N 1 0 328.456 4.082 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(C)oc3C)C2)cc1 ZINC000818342661 1049134830 /nfs/dbraw/zinc/13/48/30/1049134830.db2.gz UHRUNUGJMJKLIU-RDJZCZTQSA-N 1 0 328.456 4.082 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984353 1049212285 /nfs/dbraw/zinc/21/22/85/1049212285.db2.gz DXRWSSSVFMYHHZ-RBUKOAKNSA-N 1 0 340.467 4.326 20 10 EICDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812296525 1049433230 /nfs/dbraw/zinc/43/32/30/1049433230.db2.gz AMIZYEWTFPOJCA-KGLIPLIRSA-N 1 0 331.378 4.262 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000812735231 1049554208 /nfs/dbraw/zinc/55/42/08/1049554208.db2.gz YFBDQLFGDWJAJD-GOEBONIOSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000812736911 1049557540 /nfs/dbraw/zinc/55/75/40/1049557540.db2.gz PYOXHWWSKPLXRN-KBPBESRZSA-N 1 0 348.849 4.362 20 10 EICDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000773083800 1049570394 /nfs/dbraw/zinc/57/03/94/1049570394.db2.gz VXGFQDJRNLGRTK-AWEZNQCLSA-N 1 0 347.503 4.474 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(N(C)C)cc1 ZINC000773133969 1049597185 /nfs/dbraw/zinc/59/71/85/1049597185.db2.gz IFTOOCNNLWSODR-MLHJIOFPSA-N 1 0 336.570 4.173 20 10 EICDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C)Cc1ccccc1O ZINC000812829634 1049599990 /nfs/dbraw/zinc/59/99/90/1049599990.db2.gz IWQOKNISMYDIAB-UHFFFAOYSA-N 1 0 337.467 4.353 20 10 EICDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1O ZINC000179785464 1049760249 /nfs/dbraw/zinc/76/02/49/1049760249.db2.gz DKJVLUYYMCEUHF-UHFFFAOYSA-N 1 0 333.378 4.022 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc3ccccc3n2)ccc1OC ZINC000747854593 1049765513 /nfs/dbraw/zinc/76/55/13/1049765513.db2.gz QFOOJIFGXSOLFN-UHFFFAOYSA-N 1 0 336.435 4.070 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822530342 1049768216 /nfs/dbraw/zinc/76/82/16/1049768216.db2.gz YDKFKAKVHXBDPP-SFHVURJKSA-N 1 0 335.875 4.135 20 10 EICDRO Oc1ccccc1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000822498317 1049768480 /nfs/dbraw/zinc/76/84/80/1049768480.db2.gz YDHYYVSMMMXRIA-UHFFFAOYSA-N 1 0 328.481 4.107 20 10 EICDRO CC[N@H+](Cc1ccccc1O)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171929453 1049829359 /nfs/dbraw/zinc/82/93/59/1049829359.db2.gz GQQHHDDQVHPAHM-UHFFFAOYSA-N 1 0 333.472 4.115 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000813883435 1049831517 /nfs/dbraw/zinc/83/15/17/1049831517.db2.gz KHTAASOZIXYTEN-HZPDHXFCSA-N 1 0 328.431 4.078 20 10 EICDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823921681 1049888039 /nfs/dbraw/zinc/88/80/39/1049888039.db2.gz KCNMXLKTJOSXJH-INIZCTEOSA-N 1 0 346.540 4.271 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2O)c(SC)cc1OC ZINC000180404149 1049890006 /nfs/dbraw/zinc/89/00/06/1049890006.db2.gz FERNQBGMBMVSPG-UHFFFAOYSA-N 1 0 347.480 4.072 20 10 EICDRO COC1(C)CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824125305 1049898458 /nfs/dbraw/zinc/89/84/58/1049898458.db2.gz HPTNOVTXRDETOG-UHFFFAOYSA-N 1 0 344.524 4.385 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000824215174 1049905921 /nfs/dbraw/zinc/90/59/21/1049905921.db2.gz MYYFQPZMECSIRU-XLIONFOSSA-N 1 0 344.524 4.025 20 10 EICDRO c1csc(SCCC[NH2+][C@H](c2ccccc2)c2ccccn2)n1 ZINC000180574885 1049919169 /nfs/dbraw/zinc/91/91/69/1049919169.db2.gz ZSBTXMXKHMSXMA-QGZVFWFLSA-N 1 0 341.505 4.400 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617767 1049920642 /nfs/dbraw/zinc/92/06/42/1049920642.db2.gz PXORQHGAPIDWID-CYBMUJFWSA-N 1 0 334.485 4.482 20 10 EICDRO COc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)cc1C ZINC001177359726 1050203337 /nfs/dbraw/zinc/20/33/37/1050203337.db2.gz ZNNOVRRWTBXEEV-UHFFFAOYSA-N 1 0 339.357 4.191 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(Cl)c1 ZINC001177528534 1050240592 /nfs/dbraw/zinc/24/05/92/1050240592.db2.gz BWFNOKIBNYJXOI-UHFFFAOYSA-N 1 0 330.859 4.021 20 10 EICDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172962101 1050248156 /nfs/dbraw/zinc/24/81/56/1050248156.db2.gz ZWJDFYGHQFLDIU-HOTGVXAUSA-N 1 0 349.519 4.049 20 10 EICDRO CC(C)(C)c1csc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC001177774497 1050287233 /nfs/dbraw/zinc/28/72/33/1050287233.db2.gz MAIQWFNTEGJACX-UHFFFAOYSA-N 1 0 330.497 4.098 20 10 EICDRO CCCCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001177962599 1050331016 /nfs/dbraw/zinc/33/10/16/1050331016.db2.gz RQAICKGZMOGJFO-MITRTKIPSA-N 1 0 330.516 4.339 20 10 EICDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Oc1cccc(Cl)c1 ZINC001177929585 1050337442 /nfs/dbraw/zinc/33/74/42/1050337442.db2.gz ZDPLAYWQUSUTBC-KJPDOMRESA-N 1 0 344.886 4.476 20 10 EICDRO CS[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001178276468 1050425938 /nfs/dbraw/zinc/42/59/38/1050425938.db2.gz SSUJSYOXTADCAJ-INIZCTEOSA-N 1 0 326.509 4.090 20 10 EICDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(Br)ccc1O ZINC001203650396 1050454498 /nfs/dbraw/zinc/45/44/98/1050454498.db2.gz RXFJNSTZKCWOHJ-GORDUTHDSA-N 1 0 347.256 4.085 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC001178430233 1050455142 /nfs/dbraw/zinc/45/51/42/1050455142.db2.gz CFVOQIDXLWXPQH-FQEVSTJZSA-N 1 0 342.870 4.137 20 10 EICDRO CCN(CC)c1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001178462430 1050476967 /nfs/dbraw/zinc/47/69/67/1050476967.db2.gz FOVLUMKCYVTMEM-QGZVFWFLSA-N 1 0 335.511 4.026 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC001178709910 1050537892 /nfs/dbraw/zinc/53/78/92/1050537892.db2.gz OCCXNBVSNIXJAT-UHFFFAOYSA-N 1 0 332.806 4.388 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]CCOc2ccc(F)c(Cl)c2)cc1 ZINC001178758856 1050547377 /nfs/dbraw/zinc/54/73/77/1050547377.db2.gz LLTSPEXJWYDKLH-ONEGZZNKSA-N 1 0 348.849 4.227 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000773770904 1050555080 /nfs/dbraw/zinc/55/50/80/1050555080.db2.gz FLVBKXGEEJNRFQ-GOSISDBHSA-N 1 0 329.513 4.417 20 10 EICDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775128462 1050563852 /nfs/dbraw/zinc/56/38/52/1050563852.db2.gz DACIZNSVYITDTP-LBPRGKRZSA-N 1 0 325.330 4.141 20 10 EICDRO COc1cccc(C2(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001178836112 1050566350 /nfs/dbraw/zinc/56/63/50/1050566350.db2.gz TUMDHDGHRUVTMW-WAYWQWQTSA-N 1 0 336.479 4.096 20 10 EICDRO COCC1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC001178945452 1050593693 /nfs/dbraw/zinc/59/36/93/1050593693.db2.gz SUDXYLARACAYPC-UHFFFAOYSA-N 1 0 344.421 4.066 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1F ZINC001179049315 1050617834 /nfs/dbraw/zinc/61/78/34/1050617834.db2.gz LHKZVDCQMBLIRI-KRWDZBQOSA-N 1 0 334.479 4.253 20 10 EICDRO CCSc1cccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001179128686 1050637408 /nfs/dbraw/zinc/63/74/08/1050637408.db2.gz DBYRXRGSCCTKSU-QGZVFWFLSA-N 1 0 342.508 4.176 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)c2cccc3ccccc32)cc1 ZINC001179123176 1050637833 /nfs/dbraw/zinc/63/78/33/1050637833.db2.gz PMCTWNUFLLSYEN-BMOUEYTDSA-N 1 0 346.474 4.242 20 10 EICDRO CCc1ccc(C)[nH+]c1NCc1cc(C)cc(Br)c1O ZINC001179141099 1050640301 /nfs/dbraw/zinc/64/03/01/1050640301.db2.gz WLVWRBLBURZZBS-UHFFFAOYSA-N 1 0 335.245 4.341 20 10 EICDRO C[NH+](C)Cc1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001173931189 1050652179 /nfs/dbraw/zinc/65/21/79/1050652179.db2.gz AXGNTUWMJNTGFV-UHFFFAOYSA-N 1 0 332.451 4.382 20 10 EICDRO COc1cccc(C2([NH2+]Cc3cc(F)c(N(C)C)cc3F)CCC2)c1 ZINC001179228937 1050655153 /nfs/dbraw/zinc/65/51/53/1050655153.db2.gz WWAPKYUKHRYQGG-UHFFFAOYSA-N 1 0 346.421 4.208 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000773812193 1050664256 /nfs/dbraw/zinc/66/42/56/1050664256.db2.gz PSIKAIILPURBNB-SIKLNZKXSA-N 1 0 338.495 4.400 20 10 EICDRO CCc1ncc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)s1 ZINC001179296152 1050664881 /nfs/dbraw/zinc/66/48/81/1050664881.db2.gz WSVWBUOXIHTTGC-UHFFFAOYSA-N 1 0 339.508 4.445 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1F ZINC001179845357 1050795409 /nfs/dbraw/zinc/79/54/09/1050795409.db2.gz QOVZWAZAPRKIHQ-UHFFFAOYSA-N 1 0 342.458 4.457 20 10 EICDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC001179937841 1050824572 /nfs/dbraw/zinc/82/45/72/1050824572.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 1 0 345.874 4.134 20 10 EICDRO COc1ccc(C[C@H]2CC[N@@H+]2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115668 1050890362 /nfs/dbraw/zinc/89/03/62/1050890362.db2.gz BMQLVOIZPJCJBF-OLEQZPESSA-N 1 0 336.479 4.091 20 10 EICDRO COc1cc(Cl)cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC001180452504 1051005155 /nfs/dbraw/zinc/00/51/55/1051005155.db2.gz MCTRNFIMZDAHBH-UHFFFAOYSA-N 1 0 347.817 4.483 20 10 EICDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(OC)c2O)c1 ZINC001180513715 1051012171 /nfs/dbraw/zinc/01/21/71/1051012171.db2.gz KORUGHOLQJAZLN-SFHVURJKSA-N 1 0 327.424 4.055 20 10 EICDRO CC[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183326622 1051090945 /nfs/dbraw/zinc/09/09/45/1051090945.db2.gz OBOGRVLNSBHDIG-QGZVFWFLSA-N 1 0 348.487 4.080 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1SC ZINC000775364028 1051129338 /nfs/dbraw/zinc/12/93/38/1051129338.db2.gz PATCAEINPIZGPC-CQSZACIVSA-N 1 0 330.497 4.334 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775363186 1051129988 /nfs/dbraw/zinc/12/99/88/1051129988.db2.gz LGQBILGLHXKDFY-MRXNPFEDSA-N 1 0 342.483 4.149 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056517 1051138053 /nfs/dbraw/zinc/13/80/53/1051138053.db2.gz RQAQEPBIHHZIJR-HXUWFJFHSA-N 1 0 343.854 4.376 20 10 EICDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001181223592 1051188857 /nfs/dbraw/zinc/18/88/57/1051188857.db2.gz QFXIWIRACXUASS-JKIFEVAISA-N 1 0 338.948 4.417 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c1 ZINC001181674872 1051276796 /nfs/dbraw/zinc/27/67/96/1051276796.db2.gz PRIPIAMOLQAAQS-HNAYVOBHSA-N 1 0 341.451 4.383 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000775416799 1051292974 /nfs/dbraw/zinc/29/29/74/1051292974.db2.gz XWZXJECCZYKMIC-WBVHZDCISA-N 1 0 340.250 4.473 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001191078066 1051342874 /nfs/dbraw/zinc/34/28/74/1051342874.db2.gz PTCLBLLLOSTNMI-LZNRXBQRSA-N 1 0 342.527 4.455 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3[C@H](C)C[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC001191078065 1051343349 /nfs/dbraw/zinc/34/33/49/1051343349.db2.gz PTCLBLLLOSTNMI-JUXOCIIHSA-N 1 0 342.527 4.455 20 10 EICDRO CC(C)c1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC001181920473 1051354788 /nfs/dbraw/zinc/35/47/88/1051354788.db2.gz PRPMIQGAYFAQIQ-MOPGFXCFSA-N 1 0 329.484 4.297 20 10 EICDRO COc1ccc(C[N@H+](C(C)C)[C@@H](C)c2ccccc2)c(O)c1OC ZINC001182151686 1051406325 /nfs/dbraw/zinc/40/63/25/1051406325.db2.gz CMGARSHYBMEDHG-HNNXBMFYSA-N 1 0 329.440 4.381 20 10 EICDRO Cc1cc(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1N(C)C ZINC001191438000 1051459358 /nfs/dbraw/zinc/45/93/58/1051459358.db2.gz WVQQWPNFWJJWQO-UHFFFAOYSA-N 1 0 330.516 4.232 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OCC1CC1 ZINC001191681852 1051506609 /nfs/dbraw/zinc/50/66/09/1051506609.db2.gz JDCXSRKCXCSCPT-UHFFFAOYSA-N 1 0 331.843 4.466 20 10 EICDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000774256103 1051529879 /nfs/dbraw/zinc/52/98/79/1051529879.db2.gz DZYYTZMDARAPMY-DIFFPNOSSA-N 1 0 340.250 4.392 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cc(Cl)ccc1O ZINC000775483559 1051553007 /nfs/dbraw/zinc/55/30/07/1051553007.db2.gz YBVMWBZTDPBMLK-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1O ZINC000775484574 1051556041 /nfs/dbraw/zinc/55/60/41/1051556041.db2.gz FGKDHLXMKSNBQX-QGZVFWFLSA-N 1 0 332.831 4.245 20 10 EICDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000774382018 1051570217 /nfs/dbraw/zinc/57/02/17/1051570217.db2.gz MVGBSPJUVKWBLF-IBGZPJMESA-N 1 0 339.439 4.086 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1O ZINC000775488872 1051570225 /nfs/dbraw/zinc/57/02/25/1051570225.db2.gz VVVWHUHNFXIZEV-JKSUJKDBSA-N 1 0 338.904 4.451 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000774430557 1051589859 /nfs/dbraw/zinc/58/98/59/1051589859.db2.gz CKNCRDLMSCYHTG-SJKOYZFVSA-N 1 0 326.415 4.143 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1OCCOC)c1cc(Cl)ccc1O ZINC000775491758 1051590375 /nfs/dbraw/zinc/59/03/75/1051590375.db2.gz IXSIJYIMVJBQSV-KRWDZBQOSA-N 1 0 349.858 4.312 20 10 EICDRO CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000775498466 1051622064 /nfs/dbraw/zinc/62/20/64/1051622064.db2.gz LBCXYTTWKIEWBE-CQSZACIVSA-N 1 0 342.867 4.001 20 10 EICDRO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775499382 1051626414 /nfs/dbraw/zinc/62/64/14/1051626414.db2.gz RSWDPLYHCHYOSY-LBPRGKRZSA-N 1 0 347.768 4.045 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1O ZINC000775508388 1051641719 /nfs/dbraw/zinc/64/17/19/1051641719.db2.gz UJMVRRIDXBCFEJ-UZLBHIALSA-N 1 0 340.467 4.111 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1O ZINC000775508384 1051642243 /nfs/dbraw/zinc/64/22/43/1051642243.db2.gz UJMVRRIDXBCFEJ-OXJNMPFZSA-N 1 0 340.467 4.111 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1O ZINC000775513470 1051650602 /nfs/dbraw/zinc/65/06/02/1051650602.db2.gz ZNCGBWUCOMVRAC-CRAIPNDOSA-N 1 0 330.859 4.365 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Br)ccc1O ZINC000775513462 1051651142 /nfs/dbraw/zinc/65/11/42/1051651142.db2.gz ZLRPZDOXBFZSHP-BLLLJJGKSA-N 1 0 349.272 4.394 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](=O)CC)C1)c1cc(Cl)ccc1O ZINC000775513476 1051651445 /nfs/dbraw/zinc/65/14/45/1051651445.db2.gz ZQEAVCGDRNCCBO-JLXHKYTDSA-N 1 0 343.920 4.166 20 10 EICDRO CC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511435 1051657768 /nfs/dbraw/zinc/65/77/68/1051657768.db2.gz FPPHGSIVHOPUTA-YGRLFVJLSA-N 1 0 340.876 4.450 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1O ZINC000775521109 1051679049 /nfs/dbraw/zinc/67/90/49/1051679049.db2.gz QQRFZLGEBQTAAF-PKOBYXMFSA-N 1 0 331.843 4.400 20 10 EICDRO CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775519120 1051682415 /nfs/dbraw/zinc/68/24/15/1051682415.db2.gz IOICFZJSXJLADM-SFHVURJKSA-N 1 0 349.858 4.312 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1cc(Cl)ccc1O ZINC000775526840 1051719642 /nfs/dbraw/zinc/71/96/42/1051719642.db2.gz MBRPBSHZOAVYES-KBPBESRZSA-N 1 0 325.861 4.190 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccns1 ZINC001183189205 1051804420 /nfs/dbraw/zinc/80/44/20/1051804420.db2.gz RJLHRFNKXYLWJW-CQSZACIVSA-N 1 0 340.448 4.279 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775545566 1051808242 /nfs/dbraw/zinc/80/82/42/1051808242.db2.gz AERYDIXEZNNHIE-CQSZACIVSA-N 1 0 345.314 4.472 20 10 EICDRO O=C(c1cc(Cl)ccc1Nc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC001176084353 1051889959 /nfs/dbraw/zinc/88/99/59/1051889959.db2.gz LTQZURNNJMDFBV-UHFFFAOYSA-N 1 0 333.725 4.316 20 10 EICDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001183822754 1051908614 /nfs/dbraw/zinc/90/86/14/1051908614.db2.gz LVWJXSDCGWVJSC-WUHBCXKYSA-N 1 0 337.463 4.353 20 10 EICDRO Cc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)ccc1N1CCCCC1 ZINC001194626922 1052180130 /nfs/dbraw/zinc/18/01/30/1052180130.db2.gz UMBGHMOZARHXGW-OAQYLSRUSA-N 1 0 330.516 4.232 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]CCCn2ccc3ccccc32)cc1F ZINC001177070903 1052224194 /nfs/dbraw/zinc/22/41/94/1052224194.db2.gz APRTZEOYHJMLQI-UHFFFAOYSA-N 1 0 343.421 4.165 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000184856728 1052266316 /nfs/dbraw/zinc/26/63/16/1052266316.db2.gz BEZHHAIKFSFNFB-SJLPKXTDSA-N 1 0 328.456 4.171 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c1 ZINC000184910296 1052294479 /nfs/dbraw/zinc/29/44/79/1052294479.db2.gz GUMKARBUOTUETL-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1O)O[C@@H](C)C2 ZINC000184898129 1052297984 /nfs/dbraw/zinc/29/79/84/1052297984.db2.gz MDRKAJRIQNRVNN-STQMWFEESA-N 1 0 345.414 4.104 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000184944599 1052330421 /nfs/dbraw/zinc/33/04/21/1052330421.db2.gz UECYBRDNEVVYBT-YJYMSZOUSA-N 1 0 325.383 4.069 20 10 EICDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc2ccccc2c1O ZINC000184969782 1052334756 /nfs/dbraw/zinc/33/47/56/1052334756.db2.gz BZDNJOHIPHZOSI-OAHLLOKOSA-N 1 0 331.419 4.086 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000185128900 1052449082 /nfs/dbraw/zinc/44/90/82/1052449082.db2.gz RCRLSYUOCSHIIH-HOTGVXAUSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000185160638 1052495262 /nfs/dbraw/zinc/49/52/62/1052495262.db2.gz GPLDDEVQKGTXAB-LSDHHAIUSA-N 1 0 340.423 4.069 20 10 EICDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OCC ZINC000072670537 1052552067 /nfs/dbraw/zinc/55/20/67/1052552067.db2.gz VFIYUEOQNCCJJJ-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c(C(F)(F)F)c1 ZINC000185309919 1052575793 /nfs/dbraw/zinc/57/57/93/1052575793.db2.gz UZBGZLCXUBVQBT-SNVBAGLBSA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c1 ZINC000185447501 1052607163 /nfs/dbraw/zinc/60/71/63/1052607163.db2.gz GLUCMBUGCNUGJD-JKSUJKDBSA-N 1 0 342.483 4.181 20 10 EICDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469818 1052610750 /nfs/dbraw/zinc/61/07/50/1052610750.db2.gz LWFQRFOSBXSWAG-HOTGVXAUSA-N 1 0 342.458 4.408 20 10 EICDRO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc2ccccc2c1O ZINC000185520264 1052622779 /nfs/dbraw/zinc/62/27/79/1052622779.db2.gz UJXJLCPWULWVEA-INIZCTEOSA-N 1 0 343.467 4.029 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546882 1052636296 /nfs/dbraw/zinc/63/62/96/1052636296.db2.gz ZGCHANKRUBEJDZ-KSMMKXTCSA-N 1 0 348.487 4.327 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cc(F)ccc1O ZINC000185617212 1052662142 /nfs/dbraw/zinc/66/21/42/1052662142.db2.gz MYYYZXWOKOPIMI-UONOGXRCSA-N 1 0 325.387 4.129 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c1 ZINC000185678175 1052676846 /nfs/dbraw/zinc/67/68/46/1052676846.db2.gz RMHCIZOUVLQJTJ-HNNXBMFYSA-N 1 0 341.451 4.349 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)ccc1O ZINC000185721711 1052685947 /nfs/dbraw/zinc/68/59/47/1052685947.db2.gz VMPZDBZBJWEGEC-MEDUHNTESA-N 1 0 331.412 4.130 20 10 EICDRO CC[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1O ZINC000186136251 1052937661 /nfs/dbraw/zinc/93/76/61/1052937661.db2.gz GMHYOMPADVIOOM-SFHVURJKSA-N 1 0 326.465 4.238 20 10 EICDRO COc1cc(CNc2ccc(C[NH+](C)C)cc2)c(O)c(C(C)(C)C)c1 ZINC000850046567 1053064626 /nfs/dbraw/zinc/06/46/26/1053064626.db2.gz FOEUXBLQEKBTCQ-UHFFFAOYSA-N 1 0 342.483 4.372 20 10 EICDRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc21 ZINC000850077651 1053067488 /nfs/dbraw/zinc/06/74/88/1053067488.db2.gz OICAUPRVQKORMZ-KRWDZBQOSA-N 1 0 349.478 4.164 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(C(C)C)no2)c(O)c(C(C)(C)C)c1 ZINC000850137086 1053078238 /nfs/dbraw/zinc/07/82/38/1053078238.db2.gz JVSVTOMFBZSYLY-UHFFFAOYSA-N 1 0 332.444 4.100 20 10 EICDRO COc1cc(C[NH2+]CCc2nc(C)c(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850190555 1053084379 /nfs/dbraw/zinc/08/43/79/1053084379.db2.gz JYUIXTCFIVIVKS-UHFFFAOYSA-N 1 0 348.512 4.104 20 10 EICDRO COc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850227031 1053092162 /nfs/dbraw/zinc/09/21/62/1053092162.db2.gz WDZSHFBANYLKSL-IBGZPJMESA-N 1 0 340.467 4.334 20 10 EICDRO COc1cc(C[NH2+]CCC[C@@H]2CCCCO2)c(O)c(C(C)(C)C)c1 ZINC000850247019 1053097237 /nfs/dbraw/zinc/09/72/37/1053097237.db2.gz PCSUEPQIWZVXDX-INIZCTEOSA-N 1 0 335.488 4.137 20 10 EICDRO COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850246858 1053097314 /nfs/dbraw/zinc/09/73/14/1053097314.db2.gz YJKKJCSXVAPYNP-GFCCVEGCSA-N 1 0 348.512 4.357 20 10 EICDRO COc1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850315650 1053113624 /nfs/dbraw/zinc/11/36/24/1053113624.db2.gz ICWNUWCPCAOEOB-HNNXBMFYSA-N 1 0 347.499 4.137 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850362756 1053136452 /nfs/dbraw/zinc/13/64/52/1053136452.db2.gz SATYTDYMQJZMAO-NRFANRHFSA-N 1 0 342.483 4.019 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000764559046 1053170928 /nfs/dbraw/zinc/17/09/28/1053170928.db2.gz ONYSNNYHQCRICK-AVRDEDQJSA-N 1 0 338.495 4.451 20 10 EICDRO CC(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850404546 1053174772 /nfs/dbraw/zinc/17/47/72/1053174772.db2.gz AIIUAHYUWCIVKH-UHFFFAOYSA-N 1 0 338.495 4.061 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000775626165 1053198850 /nfs/dbraw/zinc/19/88/50/1053198850.db2.gz GODBRXFYJIUKAU-INIZCTEOSA-N 1 0 349.478 4.496 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cc2ccccc2[nH]1 ZINC000775621554 1053204880 /nfs/dbraw/zinc/20/48/80/1053204880.db2.gz LMOSFSKPTXRKSP-IAGOWNOFSA-N 1 0 349.478 4.416 20 10 EICDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637516 1053241799 /nfs/dbraw/zinc/24/17/99/1053241799.db2.gz FPRDATWMVIHPIJ-KRWDZBQOSA-N 1 0 347.522 4.341 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](CC(C)C)c3ccccn3)C2)cc1 ZINC000850488819 1053255213 /nfs/dbraw/zinc/25/52/13/1053255213.db2.gz OXMZNABADQLTRF-UTKZUKDTSA-N 1 0 339.483 4.046 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)C2)cc1 ZINC000850485846 1053257324 /nfs/dbraw/zinc/25/73/24/1053257324.db2.gz BQFQHHXFEOMSHI-STEAMIEHSA-N 1 0 342.508 4.117 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccn1 ZINC000850483512 1053257541 /nfs/dbraw/zinc/25/75/41/1053257541.db2.gz YNNHCXAGXFBXRY-RYUDHWBXSA-N 1 0 335.245 4.004 20 10 EICDRO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000850505416 1053263624 /nfs/dbraw/zinc/26/36/24/1053263624.db2.gz RKMVFDBFMQCBHP-AWEZNQCLSA-N 1 0 341.451 4.139 20 10 EICDRO COCc1cnc(C[N@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000775638038 1053272780 /nfs/dbraw/zinc/27/27/80/1053272780.db2.gz WYYZWSJGEGVSMB-UHFFFAOYSA-N 1 0 346.496 4.330 20 10 EICDRO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1O ZINC000850515535 1053273892 /nfs/dbraw/zinc/27/38/92/1053273892.db2.gz YBLPFHBPBXYINI-ZWKOTPCHSA-N 1 0 349.858 4.483 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cc(Cl)ccc1O ZINC000850532186 1053295885 /nfs/dbraw/zinc/29/58/85/1053295885.db2.gz KJIPFKIRRMZTAQ-OAHLLOKOSA-N 1 0 325.861 4.494 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000850539225 1053301417 /nfs/dbraw/zinc/30/14/17/1053301417.db2.gz CCABCQWYWIREQR-ZANVPECISA-N 1 0 328.250 4.003 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1O ZINC000850542796 1053303478 /nfs/dbraw/zinc/30/34/78/1053303478.db2.gz CCVAFDCQFWMEDC-MGPLVRAMSA-N 1 0 348.240 4.198 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)cc1OC ZINC000775642802 1053305347 /nfs/dbraw/zinc/30/53/47/1053305347.db2.gz ODOOEXYECBQBRZ-UHFFFAOYSA-N 1 0 335.831 4.003 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1O ZINC000850549126 1053307237 /nfs/dbraw/zinc/30/72/37/1053307237.db2.gz FHCKQCJQZIMLEW-INIZCTEOSA-N 1 0 333.863 4.288 20 10 EICDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850555218 1053312661 /nfs/dbraw/zinc/31/26/61/1053312661.db2.gz NQPQGBRNFQLZRT-FASAQXTFSA-N 1 0 333.859 4.454 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000850566952 1053320541 /nfs/dbraw/zinc/32/05/41/1053320541.db2.gz VHAPDYUXDVTXMI-GOSISDBHSA-N 1 0 338.495 4.115 20 10 EICDRO C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565468 1053320706 /nfs/dbraw/zinc/32/07/06/1053320706.db2.gz FJSQSAVNXZIYFP-QGZVFWFLSA-N 1 0 330.516 4.096 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000850567128 1053320956 /nfs/dbraw/zinc/32/09/56/1053320956.db2.gz XAQSAJRRDSZZMX-XUVXKRRUSA-N 1 0 342.527 4.096 20 10 EICDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)cc1 ZINC000775646257 1053323355 /nfs/dbraw/zinc/32/33/55/1053323355.db2.gz GEIFZLOGZPEVNP-LJQANCHMSA-N 1 0 327.424 4.137 20 10 EICDRO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000850570633 1053323698 /nfs/dbraw/zinc/32/36/98/1053323698.db2.gz YGPKKMTXJZAJNU-LBPRGKRZSA-N 1 0 338.373 4.344 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000850570199 1053323749 /nfs/dbraw/zinc/32/37/49/1053323749.db2.gz FSKZVWSTZHXMFH-TZMCWYRMSA-N 1 0 331.378 4.267 20 10 EICDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000850585233 1053335339 /nfs/dbraw/zinc/33/53/39/1053335339.db2.gz XQNDIKGNOQSJML-PDSXEYIOSA-N 1 0 325.452 4.044 20 10 EICDRO COc1ccccc1-c1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)on1 ZINC000850585144 1053335951 /nfs/dbraw/zinc/33/59/51/1053335951.db2.gz VWKCOPXOGCAZMU-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000120185509 1053341249 /nfs/dbraw/zinc/34/12/49/1053341249.db2.gz HKBSQHCEJYOLJN-JFIYKMOQSA-N 1 0 334.479 4.018 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000764900436 1053364396 /nfs/dbraw/zinc/36/43/96/1053364396.db2.gz AXABDUFXRSSUDE-GOSISDBHSA-N 1 0 346.478 4.323 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1O ZINC000794794791 1053379804 /nfs/dbraw/zinc/37/98/04/1053379804.db2.gz GFPGWZGWBRPVTB-OALUTQOASA-N 1 0 330.447 4.183 20 10 EICDRO CC(C)[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000775651423 1053381864 /nfs/dbraw/zinc/38/18/64/1053381864.db2.gz NHOUCJYDUKGGKH-UHFFFAOYSA-N 1 0 329.513 4.108 20 10 EICDRO Cc1cccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1O ZINC000775650468 1053383635 /nfs/dbraw/zinc/38/36/35/1053383635.db2.gz DAFMYFWLCZWIKV-UHFFFAOYSA-N 1 0 331.843 4.397 20 10 EICDRO CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794801873 1053385251 /nfs/dbraw/zinc/38/52/51/1053385251.db2.gz LFDVYSNLUXFWCP-SFHVURJKSA-N 1 0 343.467 4.391 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1O ZINC000794792888 1053386451 /nfs/dbraw/zinc/38/64/51/1053386451.db2.gz GZVPTXIQYUBHPL-UXHICEINSA-N 1 0 342.483 4.053 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C)cc1O ZINC000794793679 1053389895 /nfs/dbraw/zinc/38/98/95/1053389895.db2.gz AIOWSHGABBABCJ-INIZCTEOSA-N 1 0 329.831 4.243 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1O ZINC000794803702 1053396127 /nfs/dbraw/zinc/39/61/27/1053396127.db2.gz SAFKBADXSBPQBQ-BEFAXECRSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1O ZINC000794803705 1053396455 /nfs/dbraw/zinc/39/64/55/1053396455.db2.gz SAFKBADXSBPQBQ-KXBFYZLASA-N 1 0 329.440 4.217 20 10 EICDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000775662132 1053429180 /nfs/dbraw/zinc/42/91/80/1053429180.db2.gz UUCPUUVMUMLRQG-GOSISDBHSA-N 1 0 331.843 4.100 20 10 EICDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000794826348 1053429749 /nfs/dbraw/zinc/42/97/49/1053429749.db2.gz BNFDGYZFQFVVBS-KRWDZBQOSA-N 1 0 341.474 4.413 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817653 1053431645 /nfs/dbraw/zinc/43/16/45/1053431645.db2.gz UNVMKLBZSKFTIT-ZJOUEHCJSA-N 1 0 343.442 4.047 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(C)cc1O ZINC000794818684 1053436495 /nfs/dbraw/zinc/43/64/95/1053436495.db2.gz XYENWXGSYNFEAG-RBDMOPTHSA-N 1 0 341.495 4.371 20 10 EICDRO CC[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794829739 1053441916 /nfs/dbraw/zinc/44/19/16/1053441916.db2.gz WOLPSNATBWOYTN-TYPHKJRUSA-N 1 0 327.468 4.500 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000765250415 1053475972 /nfs/dbraw/zinc/47/59/72/1053475972.db2.gz LZYUACAXCXZFHJ-APWZRJJASA-N 1 0 328.504 4.105 20 10 EICDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(Cl)c3)CCCC1)OCO2 ZINC000765258731 1053479707 /nfs/dbraw/zinc/47/97/07/1053479707.db2.gz BQYPEYBALQQWOP-UHFFFAOYSA-N 1 0 345.826 4.333 20 10 EICDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298889 1053496187 /nfs/dbraw/zinc/49/61/87/1053496187.db2.gz XRCXXRFVNKQTQJ-VXKWHMMOSA-N 1 0 344.543 4.200 20 10 EICDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765298887 1053496977 /nfs/dbraw/zinc/49/69/77/1053496977.db2.gz XRCXXRFVNKQTQJ-FGZHOGPDSA-N 1 0 344.543 4.200 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1 ZINC000851732770 1053509253 /nfs/dbraw/zinc/50/92/53/1053509253.db2.gz XUNXTQRDMZDHOE-UHFFFAOYSA-N 1 0 334.467 4.106 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391433 1053528170 /nfs/dbraw/zinc/52/81/70/1053528170.db2.gz FLVCXQUXGPBNDM-LIRRHRJNSA-N 1 0 328.431 4.456 20 10 EICDRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccccc1O ZINC000794842671 1053542437 /nfs/dbraw/zinc/54/24/37/1053542437.db2.gz SCZKJUVFFQCXSV-ZDUSSCGKSA-N 1 0 339.357 4.227 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)C1CCOCC1 ZINC000765445189 1053548539 /nfs/dbraw/zinc/54/85/39/1053548539.db2.gz MBVWABRPGNJHTM-KRWDZBQOSA-N 1 0 330.516 4.360 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)c1O ZINC000865758474 1053585707 /nfs/dbraw/zinc/58/57/07/1053585707.db2.gz IGDGDLHHPNGBQB-INIZCTEOSA-N 1 0 345.439 4.049 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1C ZINC000120720964 1053589535 /nfs/dbraw/zinc/58/95/35/1053589535.db2.gz BYAPAFQBQOKJIR-QUCCMNQESA-N 1 0 325.452 4.261 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000120720666 1053589774 /nfs/dbraw/zinc/58/97/74/1053589774.db2.gz BYAPAFQBQOKJIR-ICSRJNTNSA-N 1 0 325.452 4.261 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688417 1053593942 /nfs/dbraw/zinc/59/39/42/1053593942.db2.gz QZTFTBZSXDOREH-RXVVDRJESA-N 1 0 338.495 4.186 20 10 EICDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000765510265 1053595009 /nfs/dbraw/zinc/59/50/09/1053595009.db2.gz SEGZASRUBUIGND-AWEZNQCLSA-N 1 0 325.431 4.266 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)C3CCC(F)CC3)cc2)CC1 ZINC000852651622 1053599577 /nfs/dbraw/zinc/59/95/77/1053599577.db2.gz PJTZZZOEFXAXOM-IVMQYODDSA-N 1 0 348.506 4.308 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)c1O ZINC000865829757 1053601124 /nfs/dbraw/zinc/60/11/24/1053601124.db2.gz FOPUZEYAEQKYNY-APWZRJJASA-N 1 0 347.842 4.064 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240807 1053658208 /nfs/dbraw/zinc/65/82/08/1053658208.db2.gz ILHQNPKIPXUVPS-JXFKEZNVSA-N 1 0 346.478 4.276 20 10 EICDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614401 1053714425 /nfs/dbraw/zinc/71/44/25/1053714425.db2.gz OFQVVEBDNHXIBR-ZRHASKPBSA-N 1 0 342.527 4.480 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000775737509 1053721425 /nfs/dbraw/zinc/72/14/25/1053721425.db2.gz NYGFWKZNAWCEFG-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)s1 ZINC000866455471 1053738229 /nfs/dbraw/zinc/73/82/29/1053738229.db2.gz LYVYMCOUQKLQED-BDAKNGLRSA-N 1 0 341.274 4.331 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C(F)(F)F)cc1O ZINC000866475343 1053744272 /nfs/dbraw/zinc/74/42/72/1053744272.db2.gz XBFJICYMMXZEAR-ZDUSSCGKSA-N 1 0 328.309 4.186 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000866532908 1053769525 /nfs/dbraw/zinc/76/95/25/1053769525.db2.gz CVTQRTCYISEFSA-TYNCELHUSA-N 1 0 329.362 4.196 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000866532907 1053770999 /nfs/dbraw/zinc/77/09/99/1053770999.db2.gz CVTQRTCYISEFSA-SLEUVZQESA-N 1 0 329.362 4.196 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000866541445 1053775443 /nfs/dbraw/zinc/77/54/43/1053775443.db2.gz MAODXFIRPGVVSM-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1O ZINC000854226854 1053782634 /nfs/dbraw/zinc/78/26/34/1053782634.db2.gz ROJMRPVLXNTDSK-QFYYESIMSA-N 1 0 347.256 4.075 20 10 EICDRO Cc1cccc(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1O ZINC000775749347 1053799480 /nfs/dbraw/zinc/79/94/80/1053799480.db2.gz HBYFQWOFAPWHDV-MRXNPFEDSA-N 1 0 340.467 4.033 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000765609283 1053802896 /nfs/dbraw/zinc/80/28/96/1053802896.db2.gz XWHXMGLPRPHYBC-FXAWDEMLSA-N 1 0 341.499 4.142 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612315 1053804307 /nfs/dbraw/zinc/80/43/07/1053804307.db2.gz GSCHFNFQVMYGHQ-IRXDYDNUSA-N 1 0 326.488 4.212 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632079 1053811269 /nfs/dbraw/zinc/81/12/69/1053811269.db2.gz HUKDEFSPWJIZIK-FXAWDEMLSA-N 1 0 338.499 4.449 20 10 EICDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765642562 1053828985 /nfs/dbraw/zinc/82/89/85/1053828985.db2.gz DKBFNOQRBCBRLG-KSSFIOAISA-N 1 0 338.442 4.425 20 10 EICDRO CC1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765644518 1053830919 /nfs/dbraw/zinc/83/09/19/1053830919.db2.gz LWPLDMFXFXKDNO-KRWDZBQOSA-N 1 0 338.442 4.425 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536860 1053837612 /nfs/dbraw/zinc/83/76/12/1053837612.db2.gz GPYDEVFDPKBDJH-GJZGRUSLSA-N 1 0 346.421 4.213 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776773291 1053866570 /nfs/dbraw/zinc/86/65/70/1053866570.db2.gz WOLIOERRYGRNAM-LJQANCHMSA-N 1 0 347.499 4.089 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CCc2ccco2)c1O ZINC000775775398 1053920820 /nfs/dbraw/zinc/92/08/20/1053920820.db2.gz YRMWAMUWWZBYJX-LBPRGKRZSA-N 1 0 338.245 4.167 20 10 EICDRO Cc1csc(C2([NH2+]Cc3ccc(N(C)C)c(F)c3)CCCC2)n1 ZINC000113342763 1053924884 /nfs/dbraw/zinc/92/48/84/1053924884.db2.gz XYKIYPOHMRFFMW-UHFFFAOYSA-N 1 0 333.476 4.216 20 10 EICDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122732024 1054028765 /nfs/dbraw/zinc/02/87/65/1054028765.db2.gz PQIVLRRRBMQZOO-QGZVFWFLSA-N 1 0 348.494 4.406 20 10 EICDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCC2 ZINC000122935544 1054060075 /nfs/dbraw/zinc/06/00/75/1054060075.db2.gz LFFBKGXLPCQJBB-MRXNPFEDSA-N 1 0 341.524 4.255 20 10 EICDRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775829556 1054099213 /nfs/dbraw/zinc/09/92/13/1054099213.db2.gz ZQXLTKOLIDPOAR-CQSZACIVSA-N 1 0 345.874 4.004 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1 ZINC000775835777 1054117954 /nfs/dbraw/zinc/11/79/54/1054117954.db2.gz JEOKCWGXMYKHAW-AWEZNQCLSA-N 1 0 339.414 4.398 20 10 EICDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775838354 1054118665 /nfs/dbraw/zinc/11/86/65/1054118665.db2.gz XNKXXYRQEXZECV-AWEZNQCLSA-N 1 0 345.874 4.085 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834528 1054120892 /nfs/dbraw/zinc/12/08/92/1054120892.db2.gz URCQOJXZBUGRSC-LBPRGKRZSA-N 1 0 333.819 4.165 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857082451 1054175209 /nfs/dbraw/zinc/17/52/09/1054175209.db2.gz VOGSFTVMRKALOM-ZJUUUORDSA-N 1 0 334.204 4.159 20 10 EICDRO Oc1cccc2c(NCc3cccc(Br)c3O)cc[nH+]c12 ZINC000795174939 1054212537 /nfs/dbraw/zinc/21/25/37/1054212537.db2.gz YVGKTFXRNDBUSV-UHFFFAOYSA-N 1 0 345.196 4.021 20 10 EICDRO CCC(CC)[C@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001199144938 1054349376 /nfs/dbraw/zinc/34/93/76/1054349376.db2.gz ZQLSKGYJFKZGAC-CZQLGGELSA-N 1 0 343.559 4.256 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000172474142 1054436409 /nfs/dbraw/zinc/43/64/09/1054436409.db2.gz OEIZQVBKFPFFEQ-HNNXBMFYSA-N 1 0 341.524 4.473 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(C(F)(F)F)c1 ZINC000858239977 1054445821 /nfs/dbraw/zinc/44/58/21/1054445821.db2.gz YARIAVDSDIDZSE-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000776012355 1054445924 /nfs/dbraw/zinc/44/59/24/1054445924.db2.gz YSIGQOQAOMKUAE-ZWKOTPCHSA-N 1 0 325.452 4.382 20 10 EICDRO c1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199751572 1054462485 /nfs/dbraw/zinc/46/24/85/1054462485.db2.gz QYAKLFLFRVRVJG-RBBKRZOGSA-N 1 0 337.463 4.269 20 10 EICDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825635286 1054470561 /nfs/dbraw/zinc/47/05/61/1054470561.db2.gz YTUFIVPXGGSQIF-LLVKDONJSA-N 1 0 340.183 4.221 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c1O ZINC000776032701 1054491050 /nfs/dbraw/zinc/49/10/50/1054491050.db2.gz ZUCLCXWMIGYHCJ-LJQANCHMSA-N 1 0 345.389 4.422 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000858448814 1054492552 /nfs/dbraw/zinc/49/25/52/1054492552.db2.gz GOQDMNXQDXLATN-GXTWGEPZSA-N 1 0 347.768 4.086 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cc(F)ccc1O ZINC000858591666 1054528780 /nfs/dbraw/zinc/52/87/80/1054528780.db2.gz XQRQFXKUGRQTFK-NSHDSACASA-N 1 0 327.321 4.487 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858604670 1054532969 /nfs/dbraw/zinc/53/29/69/1054532969.db2.gz OCGPDECHEVOZGW-QVKFZJNVSA-N 1 0 339.483 4.348 20 10 EICDRO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1O ZINC000020566010 1054719248 /nfs/dbraw/zinc/71/92/48/1054719248.db2.gz IUEQPUZBDGXHCD-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000776154049 1054756064 /nfs/dbraw/zinc/75/60/64/1054756064.db2.gz MLWYQESJKCUXIJ-UHFFFAOYSA-N 1 0 338.234 4.487 20 10 EICDRO CCOC(C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1)OCC ZINC000125278976 1054757345 /nfs/dbraw/zinc/75/73/45/1054757345.db2.gz XGMRXSSJQICKSD-KRWDZBQOSA-N 1 0 343.467 4.355 20 10 EICDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000776166732 1054795251 /nfs/dbraw/zinc/79/52/51/1054795251.db2.gz DNEKPPAJZXDJAT-XLIONFOSSA-N 1 0 330.516 4.125 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1C ZINC001201473654 1054827780 /nfs/dbraw/zinc/82/77/80/1054827780.db2.gz UYMQHWXDOCDUAV-SXLOBPIMSA-N 1 0 329.484 4.221 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c(Cl)c1 ZINC001201550126 1054839250 /nfs/dbraw/zinc/83/92/50/1054839250.db2.gz ZCCYLDDVRVKQLJ-KRWDZBQOSA-N 1 0 347.886 4.246 20 10 EICDRO CC(C)CC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001201631506 1054860950 /nfs/dbraw/zinc/86/09/50/1054860950.db2.gz UQYLAEQNJINUNP-UHFFFAOYSA-N 1 0 338.495 4.434 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)cc1 ZINC001201761234 1054900899 /nfs/dbraw/zinc/90/08/99/1054900899.db2.gz OPHVFOQVBIGPFN-DBVUQKKJSA-N 1 0 332.532 4.462 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1F ZINC001201735730 1054907279 /nfs/dbraw/zinc/90/72/79/1054907279.db2.gz WFEZSUMAUGZTNR-QGZVFWFLSA-N 1 0 332.394 4.034 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788161 1054921109 /nfs/dbraw/zinc/92/11/09/1054921109.db2.gz VWMPWTVBVDZNNE-SJCJKPOMSA-N 1 0 337.822 4.095 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1 ZINC001201954334 1054965235 /nfs/dbraw/zinc/96/52/35/1054965235.db2.gz MEPCWJLLKJOPDP-PGRDOPGGSA-N 1 0 338.495 4.370 20 10 EICDRO CCOc1c(Cl)cc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876949016 1054986737 /nfs/dbraw/zinc/98/67/37/1054986737.db2.gz NSXLBCYVBROKKN-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000877013855 1055000194 /nfs/dbraw/zinc/00/01/94/1055000194.db2.gz HWRXLBYUXLFBLI-OAHLLOKOSA-N 1 0 331.481 4.290 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)cc1C ZINC001202031419 1055012210 /nfs/dbraw/zinc/01/22/10/1055012210.db2.gz JEEUJIZDSAGTSJ-UTKZUKDTSA-N 1 0 326.484 4.093 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336581 1055045021 /nfs/dbraw/zinc/04/50/21/1055045021.db2.gz KNAGVWVSEADRNA-UYAOXDASSA-N 1 0 329.415 4.192 20 10 EICDRO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCCCC3)cc2)c1 ZINC000776251894 1055057152 /nfs/dbraw/zinc/05/71/52/1055057152.db2.gz AXCMBAKGXKSFDM-UHFFFAOYSA-N 1 0 347.466 4.178 20 10 EICDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776254973 1055059734 /nfs/dbraw/zinc/05/97/34/1055059734.db2.gz RKZJOUFDSUEZDP-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776254980 1055060295 /nfs/dbraw/zinc/06/02/95/1055060295.db2.gz RKZJOUFDSUEZDP-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC000877589260 1055086828 /nfs/dbraw/zinc/08/68/28/1055086828.db2.gz KQDNQYGZKJWWEA-LJQANCHMSA-N 1 0 345.389 4.024 20 10 EICDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000776255728 1055087128 /nfs/dbraw/zinc/08/71/28/1055087128.db2.gz HKQPFCVYJWIGSK-YJYMSZOUSA-N 1 0 349.858 4.228 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000825987108 1055099295 /nfs/dbraw/zinc/09/92/95/1055099295.db2.gz SRPLGLNTUPPXLW-APPDUMDISA-N 1 0 337.872 4.208 20 10 EICDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877757080 1055113553 /nfs/dbraw/zinc/11/35/53/1055113553.db2.gz FKLMHGCDHVXTQY-GJZGRUSLSA-N 1 0 326.440 4.023 20 10 EICDRO Cc1c(C[NH2+][C@H](C)c2ccccc2O)sc2nc(C)nc(C)c12 ZINC000877756280 1055114505 /nfs/dbraw/zinc/11/45/05/1055114505.db2.gz FAMDUBKXSLKIHL-LLVKDONJSA-N 1 0 327.453 4.173 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000877756286 1055115349 /nfs/dbraw/zinc/11/53/49/1055115349.db2.gz FKJHXJWDQOQBMK-HZPDHXFCSA-N 1 0 326.440 4.077 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755609 1055115360 /nfs/dbraw/zinc/11/53/60/1055115360.db2.gz HXDGGQOUAOSQCE-IEBWSBKVSA-N 1 0 336.479 4.240 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877758389 1055116944 /nfs/dbraw/zinc/11/69/44/1055116944.db2.gz XLQYOWFZQOVCRA-YRISNDGFSA-N 1 0 336.479 4.411 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)c1OCC(F)(F)F)c1ccccc1O ZINC000877758129 1055117370 /nfs/dbraw/zinc/11/73/70/1055117370.db2.gz JYQCZVFCULOIOS-NSHDSACASA-N 1 0 343.320 4.323 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1O ZINC000877758388 1055117775 /nfs/dbraw/zinc/11/77/75/1055117775.db2.gz XLQYOWFZQOVCRA-MDKPJZGXSA-N 1 0 336.479 4.411 20 10 EICDRO COc1cc(C[NH2+]CCc2cc(C)ccc2F)c(O)c(C(C)(C)C)c1 ZINC001202426168 1055167416 /nfs/dbraw/zinc/16/74/16/1055167416.db2.gz GNJCPHRNCLCWFG-UHFFFAOYSA-N 1 0 345.458 4.478 20 10 EICDRO Oc1ccccc1C[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001203556572 1055202398 /nfs/dbraw/zinc/20/23/98/1055202398.db2.gz UMAOEUNJCTWKTK-CQSZACIVSA-N 1 0 332.241 4.144 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2O ZINC000765805988 1055407809 /nfs/dbraw/zinc/40/78/09/1055407809.db2.gz AZLHWHIXMKVLPS-PRIMNGNOSA-N 1 0 349.833 4.230 20 10 EICDRO COc1ccc([C@@H]2C[C@H]([NH2+]Cc3c(C)cc(C)cc3O)CCO2)cc1 ZINC001168615904 1055451278 /nfs/dbraw/zinc/45/12/78/1055451278.db2.gz PSNOUIILMZWUGP-UTKZUKDTSA-N 1 0 341.451 4.028 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1C ZINC000765810768 1055459320 /nfs/dbraw/zinc/45/93/20/1055459320.db2.gz SLAFZQSNDHPGAF-AUUYWEPGSA-N 1 0 333.859 4.221 20 10 EICDRO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc2ccccc2c1O ZINC000186485807 1056563852 /nfs/dbraw/zinc/56/38/52/1056563852.db2.gz PNHMEKIWFOLTQY-OAHLLOKOSA-N 1 0 345.446 4.325 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2cccn2)c1 ZINC000921805728 1056608066 /nfs/dbraw/zinc/60/80/66/1056608066.db2.gz GOOJEBKMINSWSK-MRXNPFEDSA-N 1 0 333.435 4.048 20 10 EICDRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)cc1 ZINC000742380172 1058604424 /nfs/dbraw/zinc/60/44/24/1058604424.db2.gz LVJBEDRDUUTOKZ-HNNXBMFYSA-N 1 0 330.859 4.113 20 10 EICDRO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000743375464 1058982485 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4.112 20 10 EICDRO C[C@H]([NH2+]CCSc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC001169461977 1060829287 /nfs/dbraw/zinc/82/92/87/1060829287.db2.gz MUVDIWHNTBVXKV-ZDUSSCGKSA-N 1 0 336.451 4.474 20 10 EICDRO Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3O)o2)cc1C ZINC000120488690 1032330700 /nfs/dbraw/zinc/33/07/00/1032330700.db2.gz GBCMPSPIJKVFNX-OAHLLOKOSA-N 1 0 337.423 4.252 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1O ZINC000529664181 1032518736 /nfs/dbraw/zinc/51/87/36/1032518736.db2.gz DWVJZUNLZOLYSO-OAHLLOKOSA-N 1 0 338.234 4.485 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1cc(C)ccc1C ZINC000529676736 1032527395 /nfs/dbraw/zinc/52/73/95/1032527395.db2.gz VWHMRRCHVLXWHQ-QGZVFWFLSA-N 1 0 329.440 4.267 20 10 EICDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759540 1032552014 /nfs/dbraw/zinc/55/20/14/1032552014.db2.gz ZMRPQLXZSMYAMU-MWLCHTKSSA-N 1 0 325.758 4.054 20 10 EICDRO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(N(C)C)cc1 ZINC000274777240 1019446047 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/nfs/dbraw/zinc/80/35/08/1022803508.db2.gz FNWYHEWQUQQOLR-RTBURBONSA-N 1 0 328.431 4.456 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(CCC(C)C)n2)c1 ZINC000182447321 1022811317 /nfs/dbraw/zinc/81/13/17/1022811317.db2.gz GPUXSPBRPZZKOS-CYBMUJFWSA-N 1 0 334.485 4.297 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000163189058 1022816313 /nfs/dbraw/zinc/81/63/13/1022816313.db2.gz WZQMOBOPAKSZFM-OAQYLSRUSA-N 1 0 334.467 4.179 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)c(O)c1 ZINC000363859305 1022861596 /nfs/dbraw/zinc/86/15/96/1022861596.db2.gz FKKHRLIQFXSOSJ-DOXZYTNZSA-N 1 0 330.497 4.106 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000185062366 1023001854 /nfs/dbraw/zinc/00/18/54/1023001854.db2.gz KSRFZMOOOXAGFC-FQEVSTJZSA-N 1 0 341.524 4.266 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nc2ccccc2[nH]1 ZINC000185140321 1023011361 /nfs/dbraw/zinc/01/13/61/1023011361.db2.gz PYFKFAYNGFAUMO-SGTLLEGYSA-N 1 0 327.403 4.456 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1nccn1C1CC1)C1CCCCC1 ZINC000891435990 1023410592 /nfs/dbraw/zinc/41/05/92/1023410592.db2.gz JXYIWZMQJUZZSS-UHFFFAOYSA-N 1 0 325.456 4.259 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000377761420 1023744022 /nfs/dbraw/zinc/74/40/22/1023744022.db2.gz LNYSXPQGQXGHBH-IBGZPJMESA-N 1 0 343.854 4.229 20 10 EICDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000756612302 1023780883 /nfs/dbraw/zinc/78/08/83/1023780883.db2.gz UZDOSEWDOJEOOR-ZMLRMANQSA-N 1 0 330.291 4.089 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000248493974 1024083959 /nfs/dbraw/zinc/08/39/59/1024083959.db2.gz KGPHZTMYYJQCJB-TWOQFEAHSA-N 1 0 344.524 4.496 20 10 EICDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000181837657 1024912010 /nfs/dbraw/zinc/91/20/10/1024912010.db2.gz TUCABYINWQWLIG-INIZCTEOSA-N 1 0 327.447 4.370 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ccc(Br)cc32)cc1 ZINC000314624994 1025322950 /nfs/dbraw/zinc/32/29/50/1025322950.db2.gz ZZZKHIGXAPORRK-SFHVURJKSA-N 1 0 345.284 4.292 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)c1OC ZINC000892045541 1025490470 /nfs/dbraw/zinc/49/04/70/1025490470.db2.gz GJYQGKBVINYSKJ-MRXNPFEDSA-N 1 0 349.377 4.025 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cccc(C(=O)OC)c1Cl ZINC001167522337 1025907175 /nfs/dbraw/zinc/90/71/75/1025907175.db2.gz YQXLZGSQAKXZFH-UHFFFAOYSA-N 1 0 347.842 4.244 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1O ZINC000375663291 1025978651 /nfs/dbraw/zinc/97/86/51/1025978651.db2.gz JKDPKUKXLDFVSS-QYZOEREBSA-N 1 0 339.435 4.143 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157822255 1026070892 /nfs/dbraw/zinc/07/08/92/1026070892.db2.gz XHMDPXQQUUONEG-PBEJRMEISA-N 1 0 328.500 4.285 20 10 EICDRO CCCC[N@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1O ZINC000894678421 1026313758 /nfs/dbraw/zinc/31/37/58/1026313758.db2.gz ASZOTPAHBVCHHW-UHFFFAOYSA-N 1 0 325.412 4.039 20 10 EICDRO Cc1cc(O)c(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1C ZINC000728905058 1026410950 /nfs/dbraw/zinc/41/09/50/1026410950.db2.gz WSNKFUMGPDYMDW-LJQANCHMSA-N 1 0 331.843 4.236 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Br)c1 ZINC000048819627 1026644519 /nfs/dbraw/zinc/64/45/19/1026644519.db2.gz OHJBQVFCLKRFGS-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000216025267 1026968358 /nfs/dbraw/zinc/96/83/58/1026968358.db2.gz JGROTNLWFWAUDJ-UHFFFAOYSA-N 1 0 339.357 4.360 20 10 EICDRO Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc[nH+]1 ZINC000302529027 1027329277 /nfs/dbraw/zinc/32/92/77/1027329277.db2.gz CEEITSSQKKHAQP-OAHLLOKOSA-N 1 0 333.382 4.072 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(OC(F)(F)C(F)F)cc1 ZINC001167624851 1027442899 /nfs/dbraw/zinc/44/28/99/1027442899.db2.gz NQCZQHBWPQOJDW-UHFFFAOYSA-N 1 0 348.384 4.408 20 10 EICDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c2ccc(C)nc12 ZINC001167624809 1027454768 /nfs/dbraw/zinc/45/47/68/1027454768.db2.gz GLJCVBRXPAPBEK-UHFFFAOYSA-N 1 0 327.472 4.037 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnc2ccsc2c1 ZINC000122467820 1027888155 /nfs/dbraw/zinc/88/81/55/1027888155.db2.gz MFXLURSEEFRGSB-LBPRGKRZSA-N 1 0 329.444 4.352 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000475195104 1029415550 /nfs/dbraw/zinc/41/55/50/1029415550.db2.gz MUEBNYXQCSCYMU-UHFFFAOYSA-N 1 0 344.462 4.271 20 10 EICDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000840859099 1029628167 /nfs/dbraw/zinc/62/81/67/1029628167.db2.gz GLNCIXWWGAQREG-MMPTUQATSA-N 1 0 342.277 4.009 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000914 1029656098 /nfs/dbraw/zinc/65/60/98/1029656098.db2.gz NBLIKNZOXXFDCY-GJZGRUSLSA-N 1 0 328.456 4.182 20 10 EICDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1F ZINC000185134917 1030117728 /nfs/dbraw/zinc/11/77/28/1030117728.db2.gz RDYMDAFTIOQZAY-AWEZNQCLSA-N 1 0 339.414 4.185 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185152503 1030122204 /nfs/dbraw/zinc/12/22/04/1030122204.db2.gz LEBYOCSQHNDDOS-VFNWGFHPSA-N 1 0 334.419 4.236 20 10 EICDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185676128 1030215453 /nfs/dbraw/zinc/21/54/53/1030215453.db2.gz SLXUHVBPFLQPEW-ZIAGYGMSSA-N 1 0 339.414 4.437 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000191854553 1030660821 /nfs/dbraw/zinc/66/08/21/1030660821.db2.gz BCQIZWYNEDSNTN-WTANOLMUSA-N 1 0 331.843 4.474 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000527924172 1030918046 /nfs/dbraw/zinc/91/80/46/1030918046.db2.gz HJSRLAAQNMJIJA-SWLSCSKDSA-N 1 0 331.378 4.268 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)OC)c1 ZINC000527932767 1030975307 /nfs/dbraw/zinc/97/53/07/1030975307.db2.gz YUDGCGNRUHNCQR-SGTLLEGYSA-N 1 0 335.831 4.093 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000527936709 1030979080 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Cc1ccc(O)c(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284111112 1035180611 /nfs/dbraw/zinc/18/06/11/1035180611.db2.gz SOPCEHZDYCQNDG-KRWDZBQOSA-N 1 0 347.256 4.099 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2ccccc21 ZINC000015571697 1035337635 /nfs/dbraw/zinc/33/76/35/1035337635.db2.gz FBBJQICJAOELIY-UHFFFAOYSA-N 1 0 346.474 4.308 20 10 EICDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000156399654 1035933499 /nfs/dbraw/zinc/93/34/99/1035933499.db2.gz DHPZTENVYXGXBU-LJQANCHMSA-N 1 0 340.515 4.231 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1O ZINC000761198176 1036012545 /nfs/dbraw/zinc/01/25/45/1036012545.db2.gz ONEAWTUAWFMKHO-UHFFFAOYSA-N 1 0 344.842 4.176 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1O ZINC000761197656 1036013716 /nfs/dbraw/zinc/01/37/16/1036013716.db2.gz AWYPQBALBSHCCH-UHFFFAOYSA-N 1 0 344.842 4.176 20 10 EICDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000164412973 1036138454 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EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(O)c1 ZINC000273385088 1037444122 /nfs/dbraw/zinc/44/41/22/1037444122.db2.gz JIXPJWAGKXSEHM-MRXNPFEDSA-N 1 0 347.462 4.226 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000157356300 1037479863 /nfs/dbraw/zinc/47/98/63/1037479863.db2.gz MYYJESKBOFRDPK-UHFFFAOYSA-N 1 0 326.621 4.098 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000273485670 1037481003 /nfs/dbraw/zinc/48/10/03/1037481003.db2.gz MHAWRXVOBKACGO-RTBURBONSA-N 1 0 329.415 4.192 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc(F)cc(F)c3)CC2)cc1 ZINC000157413910 1037495937 /nfs/dbraw/zinc/49/59/37/1037495937.db2.gz RLTSJQBUOBOJQD-CQSZACIVSA-N 1 0 346.421 4.293 20 10 EICDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273549126 1037504877 /nfs/dbraw/zinc/50/48/77/1037504877.db2.gz FPISRHIISAPGJW-RYUDHWBXSA-N 1 0 327.346 4.163 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c(O)c1C ZINC000273594198 1037517162 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COC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000479434935 1040341323 /nfs/dbraw/zinc/34/13/23/1040341323.db2.gz FIBKWJAIMLLEGZ-SFHVURJKSA-N 1 0 344.405 4.242 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)c(F)c1 ZINC000479441431 1040349164 /nfs/dbraw/zinc/34/91/64/1040349164.db2.gz VWOWFJAPMRUTIT-AWEZNQCLSA-N 1 0 326.415 4.485 20 10 EICDRO COc1ncc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1Cl ZINC000551513553 1040364697 /nfs/dbraw/zinc/36/46/97/1040364697.db2.gz QSACQKBAKVXEMQ-ZDUSSCGKSA-N 1 0 343.858 4.395 20 10 EICDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Br)cc1O ZINC000903334546 1041015174 /nfs/dbraw/zinc/01/51/74/1041015174.db2.gz BMTKULGIQTUMQK-DIFFPNOSSA-N 1 0 347.256 4.352 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000151940523 1042551297 /nfs/dbraw/zinc/55/12/97/1042551297.db2.gz JLNOPKPWHTWCFT-HOTGVXAUSA-N 1 0 330.497 4.305 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000152694675 1042949740 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CC(C)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cnn(C)c1 ZINC000922893366 1043829740 /nfs/dbraw/zinc/82/97/40/1043829740.db2.gz GLMCHXGYCKRSAQ-NRFANRHFSA-N 1 0 335.451 4.280 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000766074702 1043880330 /nfs/dbraw/zinc/88/03/30/1043880330.db2.gz ZNBBDLYFPGZEAB-CQSZACIVSA-N 1 0 335.542 4.432 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)c2c1 ZINC000766118822 1044220760 /nfs/dbraw/zinc/22/07/60/1044220760.db2.gz OMFCCILLWDJSCX-GFCCVEGCSA-N 1 0 339.357 4.328 20 10 EICDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000766146194 1044353937 /nfs/dbraw/zinc/35/39/37/1044353937.db2.gz VRWLQDHJTDFYHN-MRXNPFEDSA-N 1 0 332.488 4.059 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000734509605 1044592606 /nfs/dbraw/zinc/59/26/06/1044592606.db2.gz MCHAXOZCUOLNRV-UHFFFAOYSA-N 1 0 338.495 4.454 20 10 EICDRO COc1ccc(C2([NH2+]Cc3ccc(N(C)C)c(F)c3)CCCC2)cc1 ZINC000734843284 1044697905 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Cc1cnc(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)s1 ZINC000762157221 1044987811 /nfs/dbraw/zinc/98/78/11/1044987811.db2.gz ITNFSDYAZVVWNO-UHFFFAOYSA-N 1 0 339.464 4.085 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CCSC3(CCC3)C2)ccc1OC ZINC000922844238 1044989912 /nfs/dbraw/zinc/98/99/12/1044989912.db2.gz CBEHQOQYRBBONF-QGZVFWFLSA-N 1 0 335.513 4.140 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1C(C)C ZINC000738096528 1045031453 /nfs/dbraw/zinc/03/14/53/1045031453.db2.gz MAMHZHFHAFQWCB-IBGZPJMESA-N 1 0 330.516 4.274 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000915229709 1045202744 /nfs/dbraw/zinc/20/27/44/1045202744.db2.gz MVOSWYSGRODWPJ-IBGZPJMESA-N 1 0 348.494 4.088 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000236957002 1045372202 /nfs/dbraw/zinc/37/22/02/1045372202.db2.gz XVXQMEOQUYJOSO-LBPRGKRZSA-N 1 0 337.366 4.243 20 10 EICDRO COc1cccc(O)c1C[NH2+]CCCCc1ccc(Cl)s1 ZINC000790602404 1045544186 /nfs/dbraw/zinc/54/41/86/1045544186.db2.gz VGDDWRKNNKIJRK-UHFFFAOYSA-N 1 0 325.861 4.228 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000741753273 1045552515 /nfs/dbraw/zinc/55/25/15/1045552515.db2.gz RHENMOZSSZVZKA-QFIPXVFZSA-N 1 0 338.495 4.088 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000790946480 1045630823 /nfs/dbraw/zinc/63/08/23/1045630823.db2.gz BXEPNJAACUHOHL-UHFFFAOYSA-N 1 0 349.711 4.373 20 10 EICDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc2ccccc2c1O ZINC000897521874 1045651293 /nfs/dbraw/zinc/65/12/93/1045651293.db2.gz DSCXAJQQTXISQA-QGZVFWFLSA-N 1 0 341.373 4.119 20 10 EICDRO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000768131837 1045722145 /nfs/dbraw/zinc/72/21/45/1045722145.db2.gz ADYBKIUZJYOQBB-UHFFFAOYSA-N 1 0 334.467 4.165 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000768138866 1045727438 /nfs/dbraw/zinc/72/74/38/1045727438.db2.gz VODYXNQBLCLLCC-LJQANCHMSA-N 1 0 327.447 4.404 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cccc2cc[nH]c21)C[C@H]1CCCO1 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1045832931 /nfs/dbraw/zinc/83/29/31/1045832931.db2.gz XBOLFHGZIAAPLV-HRAATJIYSA-N 1 0 342.458 4.200 20 10 EICDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000792196324 1045876834 /nfs/dbraw/zinc/87/68/34/1045876834.db2.gz IGQSIMWXEXCHCD-INIZCTEOSA-N 1 0 343.492 4.299 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885274 /nfs/dbraw/zinc/88/52/74/1045885274.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 1 0 336.907 4.132 20 10 EICDRO CN(c1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769165931 1045889683 /nfs/dbraw/zinc/88/96/83/1045889683.db2.gz WUYWZZSDBDJMSY-UHFFFAOYSA-N 1 0 330.859 4.146 20 10 EICDRO COc1cccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000769212746 1045895241 /nfs/dbraw/zinc/89/52/41/1045895241.db2.gz RJZSRGOSDUUKMV-NQIIRXRSSA-N 1 0 341.451 4.001 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1O ZINC000769229057 1045897609 /nfs/dbraw/zinc/89/76/09/1045897609.db2.gz UOQDDZZTQQGVQZ-GFCCVEGCSA-N 1 0 349.352 4.002 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c1O ZINC000769383179 1045941083 /nfs/dbraw/zinc/94/10/83/1045941083.db2.gz DRCDFKYDUPHPCQ-UHFFFAOYSA-N 1 0 347.499 4.351 20 10 EICDRO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384058 1045942495 /nfs/dbraw/zinc/94/24/95/1045942495.db2.gz KUCKCVAMKADDCL-UHFFFAOYSA-N 1 0 347.890 4.286 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c(O)c1 ZINC000769398504 1045949463 /nfs/dbraw/zinc/94/94/63/1045949463.db2.gz RUDDAEXXFCPFMY-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967310 /nfs/dbraw/zinc/96/73/10/1045967310.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 1 0 331.287 4.005 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1O ZINC000769465679 1045983733 /nfs/dbraw/zinc/98/37/33/1045983733.db2.gz IMZJFVDKFCIUTD-RHSMWYFYSA-N 1 0 329.415 4.308 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000769471819 1045986241 /nfs/dbraw/zinc/98/62/41/1045986241.db2.gz DFFKEGIAHRUZLO-JXFKEZNVSA-N 1 0 341.451 4.061 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000769504281 1045999970 /nfs/dbraw/zinc/99/99/70/1045999970.db2.gz SEXIISNWWPGDOL-UHFFFAOYSA-N 1 0 342.527 4.316 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1O ZINC000769512728 1046003934 /nfs/dbraw/zinc/00/39/34/1046003934.db2.gz PKYIFVYPYVEONB-INIZCTEOSA-N 1 0 343.492 4.405 20 10 EICDRO COc1cccc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1O ZINC000769563100 1046022959 /nfs/dbraw/zinc/02/29/59/1046022959.db2.gz QCHBJWFZFJNEOJ-UHFFFAOYSA-N 1 0 335.403 4.219 20 10 EICDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823177 1046074230 /nfs/dbraw/zinc/07/42/30/1046074230.db2.gz QATPDWGHFDAFCV-CQSZACIVSA-N 1 0 344.421 4.020 20 10 EICDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC(C)C ZINC000769935152 1046116680 /nfs/dbraw/zinc/11/66/80/1046116680.db2.gz RIAQGZABKPNNGB-NRFANRHFSA-N 1 0 342.483 4.017 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c(O)c1C ZINC000769987296 1046121668 /nfs/dbraw/zinc/12/16/68/1046121668.db2.gz JEFBHISUBFMUKW-ZWOKBUDYSA-N 1 0 326.484 4.351 20 10 EICDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793086577 1046136824 /nfs/dbraw/zinc/13/68/24/1046136824.db2.gz UFFBZZOBJVCMRR-AWEZNQCLSA-N 1 0 344.421 4.020 20 10 EICDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000747100955 1046144997 /nfs/dbraw/zinc/14/49/97/1046144997.db2.gz ZERRVIPCADKBDN-NRFANRHFSA-N 1 0 338.495 4.024 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000770304427 1046176148 /nfs/dbraw/zinc/17/61/48/1046176148.db2.gz DZIJBCHPMVPCDS-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000793233849 1046179354 /nfs/dbraw/zinc/17/93/54/1046179354.db2.gz VLJFBUAWWZWTHB-IBGZPJMESA-N 1 0 347.886 4.482 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000770327485 1046181447 /nfs/dbraw/zinc/18/14/47/1046181447.db2.gz QYTJWMRCWKLUKO-UXHICEINSA-N 1 0 342.483 4.214 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1C ZINC000770324511 1046181602 /nfs/dbraw/zinc/18/16/02/1046181602.db2.gz GYJUEJWTWSVDRU-CTNGQTDRSA-N 1 0 343.442 4.236 20 10 EICDRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1O ZINC000770350963 1046190401 /nfs/dbraw/zinc/19/04/01/1046190401.db2.gz RMPXGLCMIMJURN-KRWDZBQOSA-N 1 0 333.378 4.406 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC000793267536 1046193809 /nfs/dbraw/zinc/19/38/09/1046193809.db2.gz BTIWQJJSPKICJZ-YJBOKZPZSA-N 1 0 329.415 4.356 20 10 EICDRO OCCC[N@H+](Cc1ccccc1O)C(c1ccccc1)c1ccccc1 ZINC000770509509 1046210457 /nfs/dbraw/zinc/21/04/57/1046210457.db2.gz BRFOLDFUQGVAOP-UHFFFAOYSA-N 1 0 347.458 4.366 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(Cl)s2)c(O)c1 ZINC000793386744 1046228685 /nfs/dbraw/zinc/22/86/85/1046228685.db2.gz YVHZZYGXALFGQN-LLVKDONJSA-N 1 0 325.861 4.227 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c(O)c1 ZINC000793388582 1046233018 /nfs/dbraw/zinc/23/30/18/1046233018.db2.gz PXRONTXXMXFRRI-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)c(O)c1 ZINC000793389045 1046233577 /nfs/dbraw/zinc/23/35/77/1046233577.db2.gz UFAIBOZGRLKJGA-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)c1ccccc1 ZINC000793607714 1046307443 /nfs/dbraw/zinc/30/74/43/1046307443.db2.gz CAPVUYYJQQVUGS-UHFFFAOYSA-N 1 0 342.458 4.029 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000793624025 1046317401 /nfs/dbraw/zinc/31/74/01/1046317401.db2.gz KGRALMKHOZYZLH-UHFFFAOYSA-N 1 0 337.463 4.452 20 10 EICDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000916838670 1046383559 /nfs/dbraw/zinc/38/35/59/1046383559.db2.gz PJMIDYOKEYUXLP-RXVVDRJESA-N 1 0 330.516 4.362 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000771387620 1046393584 /nfs/dbraw/zinc/39/35/84/1046393584.db2.gz LRJSPAJGWLXEJF-IKGGRYGDSA-N 1 0 334.479 4.282 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccc(-n3ccnc3)cc2)C2CC2)cc1 ZINC000771790767 1046491180 /nfs/dbraw/zinc/49/11/80/1046491180.db2.gz GNLDRNPDMORKIZ-UHFFFAOYSA-N 1 0 346.478 4.103 20 10 EICDRO COCc1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000771925059 1046519436 /nfs/dbraw/zinc/51/94/36/1046519436.db2.gz VSJNMFNPCIQCOY-UHFFFAOYSA-N 1 0 337.419 4.334 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Br)cs1 ZINC000786822469 1046875446 /nfs/dbraw/zinc/87/54/46/1046875446.db2.gz ZAPFYTUKHQKGNJ-JTQLQIEISA-N 1 0 338.270 4.296 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1csc(Cl)c1 ZINC000786900899 1046878627 /nfs/dbraw/zinc/87/86/27/1046878627.db2.gz XJQDKRRTECDNQQ-ZDUSSCGKSA-N 1 0 336.888 4.089 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1Br ZINC000786943708 1046889530 /nfs/dbraw/zinc/88/95/30/1046889530.db2.gz AFBJYKGZWDMJPK-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1cc(Cl)ccc1O ZINC000787023555 1046891422 /nfs/dbraw/zinc/89/14/22/1046891422.db2.gz CTDQFQJJTUIGRZ-FVMDXXJSSA-N 1 0 344.213 4.222 20 10 EICDRO C[N@H+](CCCc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000917456069 1046896223 /nfs/dbraw/zinc/89/62/23/1046896223.db2.gz WVTNPAREXMMRKH-UHFFFAOYSA-N 1 0 327.468 4.460 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1sccc1Cl)C[C@@H]1CCCO1 ZINC000787049000 1046900336 /nfs/dbraw/zinc/90/03/36/1046900336.db2.gz IVIWEEYEPDJKHN-AWEZNQCLSA-N 1 0 337.872 4.288 20 10 EICDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917477415 1046900580 /nfs/dbraw/zinc/90/05/80/1046900580.db2.gz MXMOAPWIPUWECV-UHFFFAOYSA-N 1 0 340.206 4.060 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)OCO2 ZINC000917482717 1046906583 /nfs/dbraw/zinc/90/65/83/1046906583.db2.gz LCDLHILRDCCHTD-OAHLLOKOSA-N 1 0 331.799 4.111 20 10 EICDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787327641 1046996389 /nfs/dbraw/zinc/99/63/89/1046996389.db2.gz JXZRJLZKVIJMSR-OAHLLOKOSA-N 1 0 344.430 4.079 20 10 EICDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709675 1047062118 /nfs/dbraw/zinc/06/21/18/1047062118.db2.gz AXFHFHYJSDQZJS-QZTJIDSGSA-N 1 0 339.435 4.279 20 10 EICDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133002 1047125057 /nfs/dbraw/zinc/12/50/57/1047125057.db2.gz FDWOAKMTYPMYTK-LRDDRELGSA-N 1 0 345.314 4.472 20 10 EICDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000788261888 1047146013 /nfs/dbraw/zinc/14/60/13/1047146013.db2.gz LQNHTZIPFZAVQV-LBPRGKRZSA-N 1 0 344.293 4.055 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1O ZINC000788258310 1047147285 /nfs/dbraw/zinc/14/72/85/1047147285.db2.gz HFEXIMJUKHXFDN-CVEARBPZSA-N 1 0 335.879 4.260 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172497 1047157754 /nfs/dbraw/zinc/15/77/54/1047157754.db2.gz NENUJVPLMXZOBG-KKSFZXQISA-N 1 0 343.490 4.235 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCSC2)c1O ZINC000806178096 1047186987 /nfs/dbraw/zinc/18/69/87/1047186987.db2.gz OSJYIXMMBHAQJQ-NWDGAFQWSA-N 1 0 344.318 4.257 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000806180180 1047190125 /nfs/dbraw/zinc/19/01/25/1047190125.db2.gz LNFGNQDSBVIXQI-YPMHNXCESA-N 1 0 340.250 4.126 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806181656 1047191081 /nfs/dbraw/zinc/19/10/81/1047191081.db2.gz ZVALMITYZGDKIQ-YLJYHZDGSA-N 1 0 346.902 4.223 20 10 EICDRO Cc1cc(O)c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1C ZINC000788532146 1047228591 /nfs/dbraw/zinc/22/85/91/1047228591.db2.gz LRZNAMPXBIIUJL-SFHVURJKSA-N 1 0 326.440 4.006 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)c(O)c1 ZINC000788575438 1047236888 /nfs/dbraw/zinc/23/68/88/1047236888.db2.gz WPMMDGUVTLYYTF-CVEARBPZSA-N 1 0 344.524 4.168 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)c(O)c1 ZINC000788800847 1047305572 /nfs/dbraw/zinc/30/55/72/1047305572.db2.gz WCYBEHWBGROZTH-SNVBAGLBSA-N 1 0 327.321 4.416 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c(O)c1 ZINC000788776775 1047312688 /nfs/dbraw/zinc/31/26/88/1047312688.db2.gz NCLZEBVHCKKLQQ-SVMVAKDDSA-N 1 0 341.495 4.289 20 10 EICDRO C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788779998 1047315072 /nfs/dbraw/zinc/31/50/72/1047315072.db2.gz AEVWFLMPSIZKMV-CYBMUJFWSA-N 1 0 344.421 4.184 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000788972160 1047337714 /nfs/dbraw/zinc/33/77/14/1047337714.db2.gz WDBKMQXTSXZLNV-WMLDXEAASA-N 1 0 333.516 4.238 20 10 EICDRO COc1c2ccccc2oc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000789583629 1047442642 /nfs/dbraw/zinc/44/26/42/1047442642.db2.gz CXHOXYXQXDLAJW-UHFFFAOYSA-N 1 0 331.799 4.399 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000154730917 1047454352 /nfs/dbraw/zinc/45/43/52/1047454352.db2.gz KUAYNYJRKJUEBX-UHFFFAOYSA-N 1 0 333.391 4.064 20 10 EICDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527588 1047526871 /nfs/dbraw/zinc/52/68/71/1047526871.db2.gz ZXOJJQDLSSURQL-OAHLLOKOSA-N 1 0 347.405 4.134 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000154812283 1047649917 /nfs/dbraw/zinc/64/99/17/1047649917.db2.gz MUESTCXEYHOFON-IAGOWNOFSA-N 1 0 334.467 4.350 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000814170027 1047871957 /nfs/dbraw/zinc/87/19/57/1047871957.db2.gz QGGFVFHQKNIBCW-SJORKVTESA-N 1 0 326.406 4.149 20 10 EICDRO COc1cc(O)c(C[N@H+](C(C)C)[C@H](C)c2ccccc2)cc1OC ZINC000814170247 1047873159 /nfs/dbraw/zinc/87/31/59/1047873159.db2.gz STHIRLJNCGICHS-OAHLLOKOSA-N 1 0 329.440 4.381 20 10 EICDRO CCOCc1cc(C[NH2+]C2CCC(CSC)CC2)ccc1OC ZINC000824650663 1047894206 /nfs/dbraw/zinc/89/42/06/1047894206.db2.gz ORESLNCLMUTJSQ-UHFFFAOYSA-N 1 0 337.529 4.243 20 10 EICDRO COc1cccc(C[NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)c1O ZINC000808419279 1047898493 /nfs/dbraw/zinc/89/84/93/1047898493.db2.gz PICFAKXOKRXIOV-OAHLLOKOSA-N 1 0 329.440 4.081 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696073 1047904445 /nfs/dbraw/zinc/90/44/45/1047904445.db2.gz HJFIINGNNCTGIW-DFQSSKMNSA-N 1 0 325.452 4.061 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000824696027 1047905042 /nfs/dbraw/zinc/90/50/42/1047905042.db2.gz GOWPUMPRLCZRQS-SFHVURJKSA-N 1 0 335.806 4.434 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000808453980 1047919049 /nfs/dbraw/zinc/91/90/49/1047919049.db2.gz DAGIQRYEBCROFB-FQEVSTJZSA-N 1 0 344.886 4.418 20 10 EICDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)c(O)c1 ZINC001171065757 1047932600 /nfs/dbraw/zinc/93/26/00/1047932600.db2.gz AFASZWYDILGENC-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1O ZINC000824971736 1048011915 /nfs/dbraw/zinc/01/19/15/1048011915.db2.gz XQWROJBAKRQJGS-ZDUSSCGKSA-N 1 0 338.662 4.118 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2OC(C)C)c1O ZINC000808676639 1048045552 /nfs/dbraw/zinc/04/55/52/1048045552.db2.gz HWGLWJQFQBGHAU-CYBMUJFWSA-N 1 0 334.847 4.387 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000808674976 1048046418 /nfs/dbraw/zinc/04/64/18/1048046418.db2.gz SMTYXOLYOKVEAM-AWEZNQCLSA-N 1 0 345.874 4.200 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1O ZINC000808676579 1048046695 /nfs/dbraw/zinc/04/66/95/1048046695.db2.gz GGQZQIYEDWFWJW-CQSZACIVSA-N 1 0 341.842 4.391 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000808675735 1048047415 /nfs/dbraw/zinc/04/74/15/1048047415.db2.gz QQJXYTQOZGLVAT-AWEZNQCLSA-N 1 0 345.874 4.200 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCSCC(F)(F)F)c1O ZINC000808709093 1048055050 /nfs/dbraw/zinc/05/50/50/1048055050.db2.gz BSNQRHSCAHWMMJ-SECBINFHSA-N 1 0 327.799 4.300 20 10 EICDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808709839 1048057356 /nfs/dbraw/zinc/05/73/56/1048057356.db2.gz ZYXIREFGMJARNB-GFCCVEGCSA-N 1 0 335.879 4.063 20 10 EICDRO CCc1nc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)cs1 ZINC000825291197 1048061981 /nfs/dbraw/zinc/06/19/81/1048061981.db2.gz GNUUSPOYECAKOW-SECBINFHSA-N 1 0 341.274 4.024 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)c1O ZINC000808713064 1048062616 /nfs/dbraw/zinc/06/26/16/1048062616.db2.gz FCKSPCMJSOPNJS-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000808694750 1048077117 /nfs/dbraw/zinc/07/71/17/1048077117.db2.gz GVYRBDGNJAGMGH-NWDGAFQWSA-N 1 0 347.846 4.256 20 10 EICDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)nc12 ZINC000808699942 1048079358 /nfs/dbraw/zinc/07/93/58/1048079358.db2.gz FMCUHVRNYDVTFC-AWEZNQCLSA-N 1 0 343.858 4.203 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000825526389 1048110154 /nfs/dbraw/zinc/11/01/54/1048110154.db2.gz RASZUASHRDCATB-VQIMIIECSA-N 1 0 331.843 4.364 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1O ZINC000155110579 1048161509 /nfs/dbraw/zinc/16/15/09/1048161509.db2.gz DTQAPROBIRYQJE-SFHVURJKSA-N 1 0 326.440 4.350 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1N(C)C ZINC000815055304 1048305395 /nfs/dbraw/zinc/30/53/95/1048305395.db2.gz ZNMCFVRLUAIJFK-OAQYLSRUSA-N 1 0 338.495 4.100 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000815118360 1048335651 /nfs/dbraw/zinc/33/56/51/1048335651.db2.gz NYYQLJYBOXBJFI-LJQANCHMSA-N 1 0 332.875 4.009 20 10 EICDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000815120132 1048335984 /nfs/dbraw/zinc/33/59/84/1048335984.db2.gz BZDKWTUBUZPLQU-UHFFFAOYSA-N 1 0 327.428 4.076 20 10 EICDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)ccc1N(C)C ZINC000815124154 1048337163 /nfs/dbraw/zinc/33/71/63/1048337163.db2.gz ONBWGRZRGSVJCF-NRFANRHFSA-N 1 0 338.495 4.055 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000815143971 1048366148 /nfs/dbraw/zinc/36/61/48/1048366148.db2.gz QYJLHXRHLVRNKW-UHFFFAOYSA-N 1 0 349.833 4.066 20 10 EICDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)Cc1ccccn1 ZINC000809640427 1048451013 /nfs/dbraw/zinc/45/10/13/1048451013.db2.gz WUXMOITXPXQZFP-UHFFFAOYSA-N 1 0 343.474 4.276 20 10 EICDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)c(O)c1 ZINC001171147110 1048464296 /nfs/dbraw/zinc/46/42/96/1048464296.db2.gz ZQGLOPJEWGKHAR-ZDUSSCGKSA-N 1 0 338.234 4.052 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000809729346 1048478098 /nfs/dbraw/zinc/47/80/98/1048478098.db2.gz SMAAUBPNNUYEAT-LJQANCHMSA-N 1 0 327.447 4.404 20 10 EICDRO CSC1(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000809731605 1048481925 /nfs/dbraw/zinc/48/19/25/1048481925.db2.gz LFBHNCJCDUJCKA-UHFFFAOYSA-N 1 0 330.497 4.243 20 10 EICDRO CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCC=CO2)cc1 ZINC000809731927 1048483896 /nfs/dbraw/zinc/48/38/96/1048483896.db2.gz XJTAMTCCZKXQPK-LJQANCHMSA-N 1 0 326.440 4.041 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1F ZINC000809719475 1048495668 /nfs/dbraw/zinc/49/56/68/1048495668.db2.gz GNXXWSMVHHCTSH-SECBINFHSA-N 1 0 342.183 4.284 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)c1O ZINC000809719669 1048497125 /nfs/dbraw/zinc/49/71/25/1048497125.db2.gz LQLLGYBCFBGKLR-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724594 1048498803 /nfs/dbraw/zinc/49/88/03/1048498803.db2.gz RCGSMAGYWWCPDI-DYESRHJHSA-N 1 0 336.479 4.118 20 10 EICDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809768598 1048503267 /nfs/dbraw/zinc/50/32/67/1048503267.db2.gz PZJNLMRNIPWBDB-FQEVSTJZSA-N 1 0 338.499 4.354 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(SC(F)F)cc2)c1O ZINC000809739240 1048509345 /nfs/dbraw/zinc/50/93/45/1048509345.db2.gz BXKKPJFDTBXCGQ-UHFFFAOYSA-N 1 0 325.380 4.005 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815560586 1048509688 /nfs/dbraw/zinc/50/96/88/1048509688.db2.gz KNXZVYOEXPTBFR-OAHLLOKOSA-N 1 0 326.440 4.208 20 10 EICDRO CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1cccc(OC)c1O ZINC000809747902 1048517939 /nfs/dbraw/zinc/51/79/39/1048517939.db2.gz HXMHSKDGRGYXRZ-UHFFFAOYSA-N 1 0 348.446 4.485 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000809757931 1048521868 /nfs/dbraw/zinc/52/18/68/1048521868.db2.gz WLBXKCQPXSIRQO-SFHVURJKSA-N 1 0 343.471 4.248 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCN1C ZINC000815583954 1048523753 /nfs/dbraw/zinc/52/37/53/1048523753.db2.gz RTCLNYGZVXWRFH-LMNJBCLMSA-N 1 0 338.495 4.138 20 10 EICDRO CO[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C(C)C ZINC000815585362 1048524028 /nfs/dbraw/zinc/52/40/28/1048524028.db2.gz FOXAODOHZSPUII-PZJWPPBQSA-N 1 0 327.468 4.327 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(O)c1 ZINC000815587990 1048524816 /nfs/dbraw/zinc/52/48/16/1048524816.db2.gz ZUCAIOVWNHVGHR-GJZGRUSLSA-N 1 0 346.421 4.217 20 10 EICDRO C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCCO1 ZINC000815587735 1048525709 /nfs/dbraw/zinc/52/57/09/1048525709.db2.gz RTNYUSLNUVNKDY-TZIWHRDSSA-N 1 0 325.452 4.225 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000815593598 1048526788 /nfs/dbraw/zinc/52/67/88/1048526788.db2.gz RHARJJCUJGICKD-AWEZNQCLSA-N 1 0 330.497 4.238 20 10 EICDRO Cc1cc(C[C@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815596899 1048529105 /nfs/dbraw/zinc/52/91/05/1048529105.db2.gz HFKFPRRWAVUPTG-KKSFZXQISA-N 1 0 349.478 4.318 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000809778912 1048529333 /nfs/dbraw/zinc/52/93/33/1048529333.db2.gz XQDPLPQGQAWWAN-KRWDZBQOSA-N 1 0 343.492 4.204 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(O)c1 ZINC000815597870 1048529532 /nfs/dbraw/zinc/52/95/32/1048529532.db2.gz IAEMDVLUJFQGIA-UZLBHIALSA-N 1 0 325.452 4.173 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(O)c1 ZINC000815596027 1048531128 /nfs/dbraw/zinc/53/11/28/1048531128.db2.gz ILJVJXPQYMMOHH-LBPRGKRZSA-N 1 0 334.803 4.421 20 10 EICDRO CCOCC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809789359 1048533603 /nfs/dbraw/zinc/53/36/03/1048533603.db2.gz CVTDQZCUJDMYQV-UHFFFAOYSA-N 1 0 343.467 4.124 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788511 1048534675 /nfs/dbraw/zinc/53/46/75/1048534675.db2.gz SLMDEUYEMYZRIU-BDJLRTHQSA-N 1 0 348.240 4.075 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c(O)c1 ZINC000815572596 1048535720 /nfs/dbraw/zinc/53/57/20/1048535720.db2.gz IFCAWAGDMJRSSK-OAHLLOKOSA-N 1 0 326.440 4.044 20 10 EICDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809790980 1048536286 /nfs/dbraw/zinc/53/62/86/1048536286.db2.gz RGYMAPFCOGJFMV-NRFANRHFSA-N 1 0 325.452 4.044 20 10 EICDRO COCC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815629002 1048553374 /nfs/dbraw/zinc/55/33/74/1048553374.db2.gz PYMYBCMUCCZSFG-LJQANCHMSA-N 1 0 327.468 4.328 20 10 EICDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815630149 1048554175 /nfs/dbraw/zinc/55/41/75/1048554175.db2.gz XSOOAEIAVNBGMT-OAHLLOKOSA-N 1 0 343.446 4.070 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)N(C)C)cc1 ZINC000815660009 1048561940 /nfs/dbraw/zinc/56/19/40/1048561940.db2.gz POKVSMZYEDWDIL-HNAYVOBHSA-N 1 0 344.524 4.376 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N(C)C)cc1 ZINC000815660187 1048562552 /nfs/dbraw/zinc/56/25/52/1048562552.db2.gz UBDWRWWSTMKXOJ-KXBFYZLASA-N 1 0 344.524 4.376 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O ZINC000815643281 1048567600 /nfs/dbraw/zinc/56/76/00/1048567600.db2.gz YKJZTUMQLIGSPN-QMTHXVAHSA-N 1 0 340.345 4.314 20 10 EICDRO CCOC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCCC1 ZINC000815644982 1048571094 /nfs/dbraw/zinc/57/10/94/1048571094.db2.gz RORPWSWEAVFZLV-GFCCVEGCSA-N 1 0 342.277 4.155 20 10 EICDRO CO[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815651408 1048576101 /nfs/dbraw/zinc/57/61/01/1048576101.db2.gz SDQFFYMEGTVWKI-CTNGQTDRSA-N 1 0 325.452 4.081 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)cc1 ZINC000810141900 1048646744 /nfs/dbraw/zinc/64/67/44/1048646744.db2.gz OVRYVJAXEAPGFZ-AEFFLSMTSA-N 1 0 328.500 4.246 20 10 EICDRO C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000810153145 1048659235 /nfs/dbraw/zinc/65/92/35/1048659235.db2.gz PCSVNIAZCDUDAI-LBPRGKRZSA-N 1 0 338.373 4.328 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223068 1048690164 /nfs/dbraw/zinc/69/01/64/1048690164.db2.gz CCGONEAZSRTUSL-AWEZNQCLSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810221629 1048690316 /nfs/dbraw/zinc/69/03/16/1048690316.db2.gz ILPRLLHKLYMCAA-KFNAQCHYSA-N 1 0 342.405 4.077 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(C(F)(F)F)cc1O ZINC000810223069 1048690840 /nfs/dbraw/zinc/69/08/40/1048690840.db2.gz CCGONEAZSRTUSL-CQSZACIVSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223977 1048693037 /nfs/dbraw/zinc/69/30/37/1048693037.db2.gz PRPHONARGDQHHP-UXIGCNINSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000810229709 1048698102 /nfs/dbraw/zinc/69/81/02/1048698102.db2.gz ICOFSNJQYOWUPX-HZUKXOBISA-N 1 0 331.378 4.267 20 10 EICDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000810238061 1048719132 /nfs/dbraw/zinc/71/91/32/1048719132.db2.gz XMWRVMTWDHQPRQ-HOTGVXAUSA-N 1 0 349.519 4.097 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237380 1048719300 /nfs/dbraw/zinc/71/93/00/1048719300.db2.gz GUWCMJIVGUCZPD-UKRRQHHQSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810236610 1048720396 /nfs/dbraw/zinc/72/03/96/1048720396.db2.gz JBKKEZQQBDYJEY-KBPBESRZSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(CC)OCCc2ccccc21)c1ccccc1O ZINC000810243557 1048725830 /nfs/dbraw/zinc/72/58/30/1048725830.db2.gz QDWPQAHOCOQVJO-FPOVZHCZSA-N 1 0 325.452 4.311 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1C(F)(F)F ZINC001144560576 1048728679 /nfs/dbraw/zinc/72/86/79/1048728679.db2.gz BUGWCYMQAUQUAK-UHFFFAOYSA-N 1 0 337.389 4.189 20 10 EICDRO CCCOc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)ccc1OC ZINC000845972295 1048772996 /nfs/dbraw/zinc/77/29/96/1048772996.db2.gz MGTIEFRUWTZAQC-CQSZACIVSA-N 1 0 345.439 4.049 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3c3ccccc3C)CC2)cc1 ZINC000846025905 1048790677 /nfs/dbraw/zinc/79/06/77/1048790677.db2.gz PSHDSUIXBYMYDJ-FCHUYYIVSA-N 1 0 336.479 4.118 20 10 EICDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cc(F)ccc2O1 ZINC000846052054 1048807387 /nfs/dbraw/zinc/80/73/87/1048807387.db2.gz JYBFBBCIASOJPH-KRWDZBQOSA-N 1 0 327.399 4.153 20 10 EICDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000846084198 1048810406 /nfs/dbraw/zinc/81/04/06/1048810406.db2.gz VOZNTPBBWXHNIX-QZTJIDSGSA-N 1 0 339.435 4.052 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000846117447 1048815103 /nfs/dbraw/zinc/81/51/03/1048815103.db2.gz PZGJMQGTMMXTBZ-CQSZACIVSA-N 1 0 334.332 4.003 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118561 1048815574 /nfs/dbraw/zinc/81/55/74/1048815574.db2.gz XMGJCDLEVSJBMP-LJQANCHMSA-N 1 0 345.389 4.202 20 10 EICDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521117 1048820395 /nfs/dbraw/zinc/82/03/95/1048820395.db2.gz HPECPAMAGAUALW-MRXNPFEDSA-N 1 0 341.451 4.101 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1O ZINC000846149138 1048823438 /nfs/dbraw/zinc/82/34/38/1048823438.db2.gz WIEUQVVCXAFZPZ-SJKOYZFVSA-N 1 0 335.831 4.093 20 10 EICDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846149897 1048823549 /nfs/dbraw/zinc/82/35/49/1048823549.db2.gz SWBWVGIDNBMWNU-GUYCJALGSA-N 1 0 327.424 4.138 20 10 EICDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc2ccccc2c1O ZINC000816515748 1048824541 /nfs/dbraw/zinc/82/45/41/1048824541.db2.gz JQPITNVROFQJLA-UHFFFAOYSA-N 1 0 325.408 4.095 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153231 1048825152 /nfs/dbraw/zinc/82/51/52/1048825152.db2.gz HZQXPSYSJXVBLL-WBMJQRKESA-N 1 0 345.414 4.493 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C2(CCOCc3ccccc3)CC2)c1O ZINC000846159830 1048826146 /nfs/dbraw/zinc/82/61/46/1048826146.db2.gz KDADZAZUGGXLEK-INIZCTEOSA-N 1 0 341.451 4.191 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000846161965 1048826296 /nfs/dbraw/zinc/82/62/96/1048826296.db2.gz DFHKIFGMBLDSSI-AXHNFQJDSA-N 1 0 345.414 4.111 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000846163872 1048827440 /nfs/dbraw/zinc/82/74/40/1048827440.db2.gz MIVOMHCGOZBWAP-STQMWFEESA-N 1 0 331.460 4.073 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000846165857 1048827542 /nfs/dbraw/zinc/82/75/42/1048827542.db2.gz OCYLIGLYYZKZKS-TWOQFEAHSA-N 1 0 342.483 4.051 20 10 EICDRO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846163546 1048827553 /nfs/dbraw/zinc/82/75/53/1048827553.db2.gz BJFBIALOEPEUID-GFCCVEGCSA-N 1 0 327.380 4.006 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169163 1048827978 /nfs/dbraw/zinc/82/79/78/1048827978.db2.gz PIOYZSGXJYCUPS-ZANVPECISA-N 1 0 337.341 4.156 20 10 EICDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548468 1048828271 /nfs/dbraw/zinc/82/82/71/1048828271.db2.gz ITLQYXGMRDCQHX-UWJYYQICSA-N 1 0 346.474 4.471 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c1O ZINC000846170476 1048828565 /nfs/dbraw/zinc/82/85/65/1048828565.db2.gz LJNHQFMSWJWLRC-KBPBESRZSA-N 1 0 345.439 4.138 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)c1O ZINC000846136963 1048829823 /nfs/dbraw/zinc/82/98/23/1048829823.db2.gz OPVKYALJZCCVOX-CVEARBPZSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141202 1048830544 /nfs/dbraw/zinc/83/05/44/1048830544.db2.gz FYVSGTXJNUZMRT-ABAIWWIYSA-N 1 0 333.815 4.229 20 10 EICDRO CCCN(Cc1conc1Cc1ccccc1)c1ccc(C[NH3+])cc1 ZINC000816592846 1048832289 /nfs/dbraw/zinc/83/22/89/1048832289.db2.gz WIVFLKQVEMQFMV-UHFFFAOYSA-N 1 0 335.451 4.141 20 10 EICDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207358 1048832674 /nfs/dbraw/zinc/83/26/74/1048832674.db2.gz NBJZKPGKZISCHM-UWJYYQICSA-N 1 0 348.494 4.121 20 10 EICDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209423 1048834000 /nfs/dbraw/zinc/83/40/00/1048834000.db2.gz CWLUVCVZRCIOOQ-MRXNPFEDSA-N 1 0 334.479 4.019 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207201 1048834249 /nfs/dbraw/zinc/83/42/49/1048834249.db2.gz LJNMPWRRAXDXCL-QFBILLFUSA-N 1 0 335.451 4.069 20 10 EICDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc21 ZINC000816559018 1048835671 /nfs/dbraw/zinc/83/56/71/1048835671.db2.gz UXLZEHNBCGXQHC-HXUWFJFHSA-N 1 0 346.430 4.133 20 10 EICDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182978 1048836155 /nfs/dbraw/zinc/83/61/55/1048836155.db2.gz MNUIMUGUGCCUFI-RXSFTSLZSA-N 1 0 343.442 4.183 20 10 EICDRO Oc1c(C[NH+]2CCC(Cc3cccnc3)CC2)ccc2ccccc21 ZINC000816565701 1048837720 /nfs/dbraw/zinc/83/77/20/1048837720.db2.gz YXYXIRRKWXSQSN-UHFFFAOYSA-N 1 0 332.447 4.395 20 10 EICDRO Oc1c(C[NH2+]CCc2nc3ccccc3s2)ccc2ccccc21 ZINC000816610610 1048843858 /nfs/dbraw/zinc/84/38/58/1048843858.db2.gz RCZVIWRNKMDHLM-UHFFFAOYSA-N 1 0 334.444 4.487 20 10 EICDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000816662035 1048850174 /nfs/dbraw/zinc/85/01/74/1048850174.db2.gz GDEPAFCEUVFSKF-JOCHJYFZSA-N 1 0 339.479 4.290 20 10 EICDRO COc1cc(O)c(C[N@H+](C(C)C)[C@@H](C)c2ccsc2)cc1OC ZINC000817415939 1048966889 /nfs/dbraw/zinc/96/68/89/1048966889.db2.gz AVABPJATAZBVRT-ZDUSSCGKSA-N 1 0 335.469 4.443 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCC1(O)CCC1 ZINC000817587421 1049016849 /nfs/dbraw/zinc/01/68/49/1049016849.db2.gz WMRCJPZOLXMYHY-HXUWFJFHSA-N 1 0 339.479 4.351 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnccc1N ZINC000817897354 1049054057 /nfs/dbraw/zinc/05/40/57/1049054057.db2.gz MAUCRGFXKUMLJW-INIZCTEOSA-N 1 0 338.499 4.114 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949879 1049063444 /nfs/dbraw/zinc/06/34/44/1049063444.db2.gz SVLOXAUCTOAFMF-LLVKDONJSA-N 1 0 339.266 4.051 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966636 1049071278 /nfs/dbraw/zinc/07/12/78/1049071278.db2.gz SDTFNNUNRPGVCS-CJNGLKHVSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2O ZINC000817977461 1049077615 /nfs/dbraw/zinc/07/76/15/1049077615.db2.gz KRLDAJKMKOYBGW-SJKOYZFVSA-N 1 0 326.415 4.228 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)cc1 ZINC000818220026 1049113027 /nfs/dbraw/zinc/11/30/27/1049113027.db2.gz HSDICWTZWSVITB-RZQQEMMASA-N 1 0 340.467 4.028 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)C2)cc1 ZINC000818220027 1049114257 /nfs/dbraw/zinc/11/42/57/1049114257.db2.gz HSDICWTZWSVITB-YRNRMSPPSA-N 1 0 340.467 4.028 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](Cc2ccncc2)c2cccs2)cc1 ZINC000818327770 1049127443 /nfs/dbraw/zinc/12/74/43/1049127443.db2.gz ICEUJIKPRCADFG-LJQANCHMSA-N 1 0 337.492 4.283 20 10 EICDRO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001170660166 1049361865 /nfs/dbraw/zinc/36/18/65/1049361865.db2.gz UFGJLZDUHXJGKF-GOSISDBHSA-N 1 0 342.433 4.212 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000812736914 1049557016 /nfs/dbraw/zinc/55/70/16/1049557016.db2.gz PYOXHWWSKPLXRN-KGLIPLIRSA-N 1 0 348.849 4.362 20 10 EICDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067202 1049560851 /nfs/dbraw/zinc/56/08/51/1049560851.db2.gz GAAQOGASIUTJDV-MRXNPFEDSA-N 1 0 334.479 4.019 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000812773890 1049571833 /nfs/dbraw/zinc/57/18/33/1049571833.db2.gz XYKIVUNCCJBKTO-CZIWCDLHSA-N 1 0 346.268 4.499 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(N2CCCCCC2)cc1 ZINC000773094025 1049577638 /nfs/dbraw/zinc/57/76/38/1049577638.db2.gz FSCDYRGGOJRPAT-MRXNPFEDSA-N 1 0 327.447 4.452 20 10 EICDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773149875 1049614940 /nfs/dbraw/zinc/61/49/40/1049614940.db2.gz NAAZNSCJXIWLTD-CKJXQJPGSA-N 1 0 342.483 4.188 20 10 EICDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237569581 1049619116 /nfs/dbraw/zinc/61/91/16/1049619116.db2.gz XBNBEQITVMOXPD-OALUTQOASA-N 1 0 338.495 4.368 20 10 EICDRO CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000037150438 1049663667 /nfs/dbraw/zinc/66/36/67/1049663667.db2.gz WWNLCSNESFHONG-UHFFFAOYSA-N 1 0 331.287 4.053 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)cc1OC ZINC000179660381 1049713139 /nfs/dbraw/zinc/71/31/39/1049713139.db2.gz CBUNDKMGMGIFHX-KRWDZBQOSA-N 1 0 327.424 4.055 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000179665367 1049715400 /nfs/dbraw/zinc/71/54/00/1049715400.db2.gz NDXWAJAPRZFGRB-CYBMUJFWSA-N 1 0 341.407 4.349 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC(F)(F)F)c2)c1 ZINC000813330636 1049752964 /nfs/dbraw/zinc/75/29/64/1049752964.db2.gz BMDXMYIOPXTOHN-LLVKDONJSA-N 1 0 341.329 4.150 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)C2)cc1 ZINC000822494243 1049763297 /nfs/dbraw/zinc/76/32/97/1049763297.db2.gz KLRPATSBZOAGEL-JTDSTZFVSA-N 1 0 348.556 4.031 20 10 EICDRO CCOCc1cc(C[NH2+]CC2(c3ccccc3)CCC2)ccc1OC ZINC000747855048 1049779458 /nfs/dbraw/zinc/77/94/58/1049779458.db2.gz YBLRNGDPQLQLIZ-UHFFFAOYSA-N 1 0 339.479 4.443 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC001171729065 1049784781 /nfs/dbraw/zinc/78/47/81/1049784781.db2.gz GBWFFVNYVIXGPX-UHFFFAOYSA-N 1 0 334.463 4.417 20 10 EICDRO O[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000813783602 1049815554 /nfs/dbraw/zinc/81/55/54/1049815554.db2.gz XVCXQSUBIGWETO-PKTZIBPZSA-N 1 0 345.442 4.186 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2O ZINC000813883500 1049831546 /nfs/dbraw/zinc/83/15/46/1049831546.db2.gz OEEGXYSDPAMCIK-IOASZLSFSA-N 1 0 344.405 4.087 20 10 EICDRO CC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@@H]1CCOC1 ZINC000823404868 1049845499 /nfs/dbraw/zinc/84/54/99/1049845499.db2.gz XEIKBOWKXMDYFV-SFHVURJKSA-N 1 0 344.524 4.243 20 10 EICDRO CCOc1ccc(C[C@@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC001206158834 1049854183 /nfs/dbraw/zinc/85/41/83/1049854183.db2.gz ARNVKZRVHLFXAI-MRXNPFEDSA-N 1 0 343.467 4.076 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000823584374 1049859528 /nfs/dbraw/zinc/85/95/28/1049859528.db2.gz ICHAIVMNVXGZLN-UHFFFAOYSA-N 1 0 337.492 4.112 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CSc2ccccc2C1 ZINC001172201866 1049863715 /nfs/dbraw/zinc/86/37/15/1049863715.db2.gz KKRWNGBVBVUJNA-HXUWFJFHSA-N 1 0 338.520 4.436 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000823645330 1049865333 /nfs/dbraw/zinc/86/53/33/1049865333.db2.gz MDXHVCMJKIPTKD-UHFFFAOYSA-N 1 0 337.492 4.112 20 10 EICDRO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338085 1049887565 /nfs/dbraw/zinc/88/75/65/1049887565.db2.gz ACYNOFJHYNKIIU-HZPDHXFCSA-N 1 0 344.499 4.139 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000823931625 1049889014 /nfs/dbraw/zinc/88/90/14/1049889014.db2.gz ODADTPWWRDQZDW-PKOBYXMFSA-N 1 0 344.524 4.025 20 10 EICDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824002279 1049890028 /nfs/dbraw/zinc/89/00/28/1049890028.db2.gz FTLIOKIGJKDNTO-WMZOPIPTSA-N 1 0 344.524 4.289 20 10 EICDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172557620 1049931974 /nfs/dbraw/zinc/93/19/74/1049931974.db2.gz QZMXJJMMRDBWCM-TZIWHRDSSA-N 1 0 336.479 4.154 20 10 EICDRO Cc1ccc(O)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000181533047 1050176727 /nfs/dbraw/zinc/17/67/27/1050176727.db2.gz ZGGAKTQXVISULZ-UHFFFAOYSA-N 1 0 329.415 4.021 20 10 EICDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001177267664 1050182567 /nfs/dbraw/zinc/18/25/67/1050182567.db2.gz KVJVNUMTZUSNTF-UKRRQHHQSA-N 1 0 337.305 4.185 20 10 EICDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001177267667 1050182908 /nfs/dbraw/zinc/18/29/08/1050182908.db2.gz KVJVNUMTZUSNTF-ZFWWWQNUSA-N 1 0 337.305 4.185 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000774963663 1050202910 /nfs/dbraw/zinc/20/29/10/1050202910.db2.gz FEKMWPSWRKOLIS-UHFFFAOYSA-N 1 0 333.273 4.113 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC001177570126 1050256362 /nfs/dbraw/zinc/25/63/62/1050256362.db2.gz ARDSCMBJOOAWBL-UHFFFAOYSA-N 1 0 339.458 4.486 20 10 EICDRO Brc1cc(C[NH2+]CC2CCC2)ccc1N1CCCCC1 ZINC001177647190 1050278966 /nfs/dbraw/zinc/27/89/66/1050278966.db2.gz YDXQXXOJKYWCTK-UHFFFAOYSA-N 1 0 337.305 4.329 20 10 EICDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001177729129 1050280477 /nfs/dbraw/zinc/28/04/77/1050280477.db2.gz HWWKABFUOXEZCB-QWHCGFSZSA-N 1 0 326.278 4.459 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079047 1050294448 /nfs/dbraw/zinc/29/44/48/1050294448.db2.gz VDPFXCFODKBTHE-NVXWUHKLSA-N 1 0 348.487 4.002 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079057 1050294837 /nfs/dbraw/zinc/29/48/37/1050294837.db2.gz VDPFXCFODKBTHE-WBVHZDCISA-N 1 0 348.487 4.002 20 10 EICDRO COc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)cc1Cn1cccn1 ZINC001177860547 1050317323 /nfs/dbraw/zinc/31/73/23/1050317323.db2.gz XUQKQROECSGEAF-IEBWSBKVSA-N 1 0 341.499 4.246 20 10 EICDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccccc1Cl ZINC001177948976 1050346422 /nfs/dbraw/zinc/34/64/22/1050346422.db2.gz MTZAWJMFYVQYLH-INIZCTEOSA-N 1 0 331.843 4.222 20 10 EICDRO CCCC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC001178152837 1050390204 /nfs/dbraw/zinc/39/02/04/1050390204.db2.gz ULCCXYCYCZGPMK-UHFFFAOYSA-N 1 0 331.460 4.255 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC001178156831 1050391705 /nfs/dbraw/zinc/39/17/05/1050391705.db2.gz HPZUIDRYCKUQCM-IEBWSBKVSA-N 1 0 329.532 4.028 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCOCc2ccc(Cl)cc2)c(Cl)c1 ZINC001178191892 1050400235 /nfs/dbraw/zinc/40/02/35/1050400235.db2.gz IKCMLUWSUZDRLR-UHFFFAOYSA-N 1 0 340.250 4.314 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC001178369514 1050447627 /nfs/dbraw/zinc/44/76/27/1050447627.db2.gz LFAIFMPNHZIUMY-IERDGZPVSA-N 1 0 344.474 4.274 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cc1 ZINC001178375063 1050449772 /nfs/dbraw/zinc/44/97/72/1050449772.db2.gz XFBQFVNMZOGFEJ-MAUKXSAKSA-N 1 0 332.513 4.196 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001178366078 1050453561 /nfs/dbraw/zinc/45/35/61/1050453561.db2.gz YYMDYUQALHADNM-KRWDZBQOSA-N 1 0 349.381 4.180 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCOc3ccc(OC)cc32)cc1C ZINC001178445049 1050460633 /nfs/dbraw/zinc/46/06/33/1050460633.db2.gz PCCLSSULWTYXIW-LJQANCHMSA-N 1 0 341.451 4.406 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C1(Cc2ccccc2)CC1 ZINC001178524985 1050491067 /nfs/dbraw/zinc/49/10/67/1050491067.db2.gz SVFXMHXBBCBNKG-UHFFFAOYSA-N 1 0 332.241 4.020 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756261 1050504587 /nfs/dbraw/zinc/50/45/87/1050504587.db2.gz VFEYFBXBPMHGHT-UPCLLVRISA-N 1 0 344.524 4.073 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000773757119 1050518212 /nfs/dbraw/zinc/51/82/12/1050518212.db2.gz SESRHDLLKDHTTK-UHFFFAOYSA-N 1 0 330.516 4.456 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000773770942 1050555651 /nfs/dbraw/zinc/55/56/51/1050555651.db2.gz FUGIDGVHLQTVHI-UHFFFAOYSA-N 1 0 348.494 4.399 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1O ZINC000775129964 1050577480 /nfs/dbraw/zinc/57/74/80/1050577480.db2.gz JDKPDRBTZXCBFC-INIZCTEOSA-N 1 0 334.419 4.217 20 10 EICDRO CCCN(Cc1cccc(Br)c1O)c1ccc(C[NH3+])cc1 ZINC000775140152 1050605353 /nfs/dbraw/zinc/60/53/53/1050605353.db2.gz JEHNCGCIPMJRDQ-UHFFFAOYSA-N 1 0 349.272 4.030 20 10 EICDRO CCCN(Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(C[NH3+])cc1 ZINC000775141194 1050607295 /nfs/dbraw/zinc/60/72/95/1050607295.db2.gz YIHAVMSKQLCQJT-UHFFFAOYSA-N 1 0 340.467 4.207 20 10 EICDRO CCCN(Cc1cn(-c2ccccc2)nc1C)c1ccc(C[NH3+])cc1 ZINC000775141095 1050607945 /nfs/dbraw/zinc/60/79/45/1050607945.db2.gz VZWNTHGRDVKBBR-UHFFFAOYSA-N 1 0 334.467 4.056 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000773810545 1050662324 /nfs/dbraw/zinc/66/23/24/1050662324.db2.gz JAEUFPVOOBXPDJ-MRXNPFEDSA-N 1 0 342.483 4.319 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(CCC(C)C)n2)c1 ZINC000182447298 1050665834 /nfs/dbraw/zinc/66/58/34/1050665834.db2.gz GPUXSPBRPZZKOS-ZDUSSCGKSA-N 1 0 334.485 4.297 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001179559381 1050724164 /nfs/dbraw/zinc/72/41/64/1050724164.db2.gz GWPVQJKXAJHXQN-IRXDYDNUSA-N 1 0 344.421 4.122 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)c1 ZINC001179695702 1050752726 /nfs/dbraw/zinc/75/27/26/1050752726.db2.gz LQMFWXFIJLTAKO-LQDVMPOASA-N 1 0 344.446 4.288 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001179717431 1050762888 /nfs/dbraw/zinc/76/28/88/1050762888.db2.gz SOBCKWVYKHXUFB-OAHLLOKOSA-N 1 0 328.431 4.154 20 10 EICDRO CC(C)c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC001179755323 1050772459 /nfs/dbraw/zinc/77/24/59/1050772459.db2.gz JMMHRCINUZECLF-JOCHJYFZSA-N 1 0 339.527 4.269 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000773826154 1050773564 /nfs/dbraw/zinc/77/35/64/1050773564.db2.gz ZZXPUIJENHXTSL-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO CCN(C)c1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773826102 1050773647 /nfs/dbraw/zinc/77/36/47/1050773647.db2.gz ZFWMBJHCODOJBJ-UHFFFAOYSA-N 1 0 341.886 4.480 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962791 1050848941 /nfs/dbraw/zinc/84/89/41/1050848941.db2.gz SJSRDQWUIDMKPD-XJKSGUPXSA-N 1 0 345.439 4.284 20 10 EICDRO CCc1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(OC)c2)c1O ZINC001179966790 1050850578 /nfs/dbraw/zinc/85/05/78/1050850578.db2.gz SWTWHLSZVNJBEE-IBGZPJMESA-N 1 0 325.452 4.170 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1F ZINC001180072281 1050872017 /nfs/dbraw/zinc/87/20/17/1050872017.db2.gz POLIZCOXFUGWNH-UHFFFAOYSA-N 1 0 330.447 4.311 20 10 EICDRO CC(C)CC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC001180115988 1050891283 /nfs/dbraw/zinc/89/12/83/1050891283.db2.gz FHYLLVJHNAOHON-UHFFFAOYSA-N 1 0 326.278 4.413 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC001180267600 1050940730 /nfs/dbraw/zinc/94/07/30/1050940730.db2.gz YQCGLFXFSRSUDV-AWEZNQCLSA-N 1 0 338.373 4.354 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001180318141 1050950859 /nfs/dbraw/zinc/95/08/59/1050950859.db2.gz XIYCVTLKLYVQRB-HCZHMGAMSA-N 1 0 336.479 4.167 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cn2ccnc2s1)C1CCCC1 ZINC001180288593 1050956423 /nfs/dbraw/zinc/95/64/23/1050956423.db2.gz ITCHPTVWZIJPTJ-UHFFFAOYSA-N 1 0 327.453 4.046 20 10 EICDRO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(Cl)cc1O ZINC001180392764 1050976016 /nfs/dbraw/zinc/97/60/16/1050976016.db2.gz HQWSFPMYELPIAQ-UHFFFAOYSA-N 1 0 330.609 4.033 20 10 EICDRO Oc1ccccc1C[N@H+](CCc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC001180430049 1050985699 /nfs/dbraw/zinc/98/56/99/1050985699.db2.gz KXMRVRNCNOYNSA-LJQANCHMSA-N 1 0 345.870 4.269 20 10 EICDRO N#Cc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)c1 ZINC000183134492 1050995108 /nfs/dbraw/zinc/99/51/08/1050995108.db2.gz GXILRDXIWJXRMW-UHFFFAOYSA-N 1 0 344.414 4.133 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258344 1051002628 /nfs/dbraw/zinc/00/26/28/1051002628.db2.gz XXLMLWJJEJNZHT-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000183200590 1051014055 /nfs/dbraw/zinc/01/40/55/1051014055.db2.gz LBGIUIPMFSMADF-MRXNPFEDSA-N 1 0 334.467 4.098 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cc(F)ccc1O ZINC000183244321 1051040885 /nfs/dbraw/zinc/04/08/85/1051040885.db2.gz YCQSZMRSHKQUTA-UHFFFAOYSA-N 1 0 327.355 4.032 20 10 EICDRO CCCc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775307555 1051056096 /nfs/dbraw/zinc/05/60/96/1051056096.db2.gz MYKXOOGVGJKALF-GOSISDBHSA-N 1 0 338.495 4.327 20 10 EICDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001180706990 1051068827 /nfs/dbraw/zinc/06/88/27/1051068827.db2.gz CPPIQCGACDQCNL-VNHYZAJKSA-N 1 0 346.446 4.018 20 10 EICDRO CC[NH+](CC)CCCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC001180819254 1051089497 /nfs/dbraw/zinc/08/94/97/1051089497.db2.gz GQYOUFCFHHIGLA-UHFFFAOYSA-N 1 0 340.458 4.004 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(N(C)C)cc1 ZINC000071307870 1051123910 /nfs/dbraw/zinc/12/39/10/1051123910.db2.gz DRDRFEVFBNQGPA-NSHDSACASA-N 1 0 339.302 4.427 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc(N(C)C)cc1 ZINC000775361720 1051128427 /nfs/dbraw/zinc/12/84/27/1051128427.db2.gz FKJSWUMCUFSONJ-MRXNPFEDSA-N 1 0 332.451 4.060 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365755 1051134395 /nfs/dbraw/zinc/13/43/95/1051134395.db2.gz WTTXGCBNKMDQAH-LBPRGKRZSA-N 1 0 338.373 4.344 20 10 EICDRO Cc1cc(N(C)C)ccc1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001181253853 1051191444 /nfs/dbraw/zinc/19/14/44/1051191444.db2.gz FKNDWMGTUQQNJD-UHFFFAOYSA-N 1 0 331.891 4.388 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2OC)c1 ZINC001181674873 1051275458 /nfs/dbraw/zinc/27/54/58/1051275458.db2.gz PRIPIAMOLQAAQS-KXBFYZLASA-N 1 0 341.451 4.383 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1O ZINC000775415981 1051289802 /nfs/dbraw/zinc/28/98/02/1051289802.db2.gz SJYPLJVCHFRAJZ-RDJZCZTQSA-N 1 0 339.357 4.185 20 10 EICDRO CCN(C)c1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060228 1051336698 /nfs/dbraw/zinc/33/66/98/1051336698.db2.gz ZBQZAPKZYHENMG-CTNGQTDRSA-N 1 0 343.559 4.229 20 10 EICDRO CCC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001191174014 1051374825 /nfs/dbraw/zinc/37/48/25/1051374825.db2.gz MSZDVHZEXIPMAW-XUVXKRRUSA-N 1 0 330.516 4.168 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1nccn1-c1ccccc1 ZINC001182184710 1051414472 /nfs/dbraw/zinc/41/44/72/1051414472.db2.gz RSUKDALUZQEPBM-CYBMUJFWSA-N 1 0 327.815 4.082 20 10 EICDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC12CCCC2 ZINC001182335073 1051518739 /nfs/dbraw/zinc/51/87/39/1051518739.db2.gz SHROEWWJQICZTM-NRFANRHFSA-N 1 0 342.527 4.048 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1O ZINC000775482841 1051553197 /nfs/dbraw/zinc/55/31/97/1051553197.db2.gz CXMIDWIJSSMZQR-HNNXBMFYSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1cc(Cl)ccc1O ZINC000775484627 1051555450 /nfs/dbraw/zinc/55/54/50/1051555450.db2.gz HJWKRSWKTSKYNB-MRXNPFEDSA-N 1 0 343.858 4.445 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775491189 1051576926 /nfs/dbraw/zinc/57/69/26/1051576926.db2.gz ZLPRHSXPHWUKND-MRXNPFEDSA-N 1 0 334.847 4.470 20 10 EICDRO C[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccccc1O ZINC001175418944 1051582365 /nfs/dbraw/zinc/58/23/65/1051582365.db2.gz QHESVHHAEKPRSS-AFJQURTJSA-N 1 0 325.452 4.132 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc2ccc(Cl)cc2n1C ZINC000774406322 1051582984 /nfs/dbraw/zinc/58/29/84/1051582984.db2.gz RRBCNCNHUSHGBB-LBPRGKRZSA-N 1 0 341.842 4.012 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000774430524 1051590003 /nfs/dbraw/zinc/59/00/03/1051590003.db2.gz CKNCRDLMSCYHTG-PXAZEXFGSA-N 1 0 326.415 4.143 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2O ZINC000774430574 1051591096 /nfs/dbraw/zinc/59/10/96/1051591096.db2.gz CKNCRDLMSCYHTG-YVEFUNNKSA-N 1 0 326.415 4.143 20 10 EICDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478211 1051608900 /nfs/dbraw/zinc/60/89/00/1051608900.db2.gz BQSPUAWRFZRWIU-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000775497151 1051610379 /nfs/dbraw/zinc/61/03/79/1051610379.db2.gz NLCSWRGVDQBKDS-GOSISDBHSA-N 1 0 341.842 4.472 20 10 EICDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484080 1051610527 /nfs/dbraw/zinc/61/05/27/1051610527.db2.gz OBPCFLGWYJBMSM-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483741 1051611834 /nfs/dbraw/zinc/61/18/34/1051611834.db2.gz LXGHNHVAAQCGMP-KBPBESRZSA-N 1 0 345.874 4.084 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1cc(Cl)ccc1O ZINC000775499728 1051624960 /nfs/dbraw/zinc/62/49/60/1051624960.db2.gz UXQGVYHOPUMEDX-MRXNPFEDSA-N 1 0 329.831 4.243 20 10 EICDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001182555355 1051628382 /nfs/dbraw/zinc/62/83/82/1051628382.db2.gz PEHIULPEJDCRDQ-CQSZACIVSA-N 1 0 344.817 4.313 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510018 1051640170 /nfs/dbraw/zinc/64/01/70/1051640170.db2.gz UIXDBBOLOAMTMQ-GDBMZVCRSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000775502343 1051645232 /nfs/dbraw/zinc/64/52/32/1051645232.db2.gz VHELPYBKJJEFEK-HNNXBMFYSA-N 1 0 330.497 4.401 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000775507045 1051646896 /nfs/dbraw/zinc/64/68/96/1051646896.db2.gz GOMCJRQJNLFHGC-RDJZCZTQSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775509077 1051649204 /nfs/dbraw/zinc/64/92/04/1051649204.db2.gz NAUHJTGONDAILH-DIFFPNOSSA-N 1 0 335.879 4.068 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(Br)ccc1O ZINC000775513465 1051651559 /nfs/dbraw/zinc/65/15/59/1051651559.db2.gz ZLRPZDOXBFZSHP-WBMJQRKESA-N 1 0 349.272 4.394 20 10 EICDRO CCCc1cccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC001182725522 1051688392 /nfs/dbraw/zinc/68/83/92/1051688392.db2.gz KNELQABFLFEPLO-UHFFFAOYSA-N 1 0 326.484 4.216 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)nc1 ZINC001182726186 1051688463 /nfs/dbraw/zinc/68/84/63/1051688463.db2.gz PDDNSUBJTNZCPD-UHFFFAOYSA-N 1 0 346.858 4.137 20 10 EICDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC001182734171 1051691939 /nfs/dbraw/zinc/69/19/39/1051691939.db2.gz PFDBOIZBJYXGHL-CYBMUJFWSA-N 1 0 346.268 4.317 20 10 EICDRO Oc1ccccc1C[N@H+](CCCc1ccccc1)C[C@H]1CCCO1 ZINC000071809387 1051698213 /nfs/dbraw/zinc/69/82/13/1051698213.db2.gz DTPZJTBYRFDKKF-HXUWFJFHSA-N 1 0 325.452 4.006 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775525230 1051707356 /nfs/dbraw/zinc/70/73/56/1051707356.db2.gz FFNINYHTAIAKKS-GOEBONIOSA-N 1 0 341.785 4.098 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000775526869 1051715545 /nfs/dbraw/zinc/71/55/45/1051715545.db2.gz MQASVCCMXXJDGJ-KSFYIVLOSA-N 1 0 337.872 4.024 20 10 EICDRO CCC(CC)(C[NH2+]Cc1ccc(N2CCCCC2)c(C)c1)C(=O)OC ZINC001192428571 1051718427 /nfs/dbraw/zinc/71/84/27/1051718427.db2.gz WOHVEVKZVBGSHR-UHFFFAOYSA-N 1 0 346.515 4.054 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cc(Cl)ccc1O ZINC000775532197 1051747568 /nfs/dbraw/zinc/74/75/68/1051747568.db2.gz SYUZQSXDDPKGND-CZUORRHYSA-N 1 0 325.880 4.275 20 10 EICDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(O)c1 ZINC001183137152 1051798344 /nfs/dbraw/zinc/79/83/44/1051798344.db2.gz PABFFKIBQKWOJE-LJQANCHMSA-N 1 0 338.451 4.016 20 10 EICDRO CC[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccccc1O ZINC000775545789 1051809349 /nfs/dbraw/zinc/80/93/49/1051809349.db2.gz GNJNRCHGWJADRL-MRXNPFEDSA-N 1 0 349.272 4.308 20 10 EICDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCCc2cccnc21 ZINC000774612451 1051826483 /nfs/dbraw/zinc/82/64/83/1051826483.db2.gz PFUYDWFHFNJGOW-SFHVURJKSA-N 1 0 340.467 4.394 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC001183355946 1051828901 /nfs/dbraw/zinc/82/89/01/1051828901.db2.gz ZGDPWBAIYBBYJK-BZUAXINKSA-N 1 0 348.487 4.078 20 10 EICDRO Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)c(O)cc1Br ZINC001250120697 1051879091 /nfs/dbraw/zinc/87/90/91/1051879091.db2.gz NDUKPYLQSZUPIB-UHFFFAOYSA-N 1 0 334.204 4.084 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001193714978 1051981411 /nfs/dbraw/zinc/98/14/11/1051981411.db2.gz SZFNNPOYKLONHA-UHFFFAOYSA-N 1 0 344.449 4.486 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(F)ccc1N(C)C ZINC001184418464 1052010209 /nfs/dbraw/zinc/01/02/09/1052010209.db2.gz PJILLGRGRUJRNL-OAHLLOKOSA-N 1 0 329.463 4.117 20 10 EICDRO COc1cccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)c1O ZINC001203595494 1052078768 /nfs/dbraw/zinc/07/87/68/1052078768.db2.gz FBVPIAUTSHBLAG-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(Br)ccc1F)CC2 ZINC000295906251 1052080999 /nfs/dbraw/zinc/08/09/99/1052080999.db2.gz IWRGSGYRDJMPEL-CQSZACIVSA-N 1 0 336.204 4.071 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1O ZINC001194536029 1052165885 /nfs/dbraw/zinc/16/58/85/1052165885.db2.gz XSFYGBWRXCBPGP-INIZCTEOSA-N 1 0 327.399 4.114 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1O ZINC000184857324 1052265782 /nfs/dbraw/zinc/26/57/82/1052265782.db2.gz YASVDIZVIBMWPD-RHSMWYFYSA-N 1 0 332.419 4.002 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000185003200 1052356632 /nfs/dbraw/zinc/35/66/32/1052356632.db2.gz ZYNUBUWBWDYRLX-GOSISDBHSA-N 1 0 338.495 4.058 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000185006421 1052359325 /nfs/dbraw/zinc/35/93/25/1052359325.db2.gz DNNXMBSRWNCIOU-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000185004496 1052359447 /nfs/dbraw/zinc/35/94/47/1052359447.db2.gz QGFHIBXRKZBYGV-ZBEGNZNMSA-N 1 0 333.428 4.428 20 10 EICDRO CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185062207 1052388616 /nfs/dbraw/zinc/38/86/16/1052388616.db2.gz UWQPVRJQOYELKX-OAHLLOKOSA-N 1 0 330.447 4.224 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000185073560 1052393708 /nfs/dbraw/zinc/39/37/08/1052393708.db2.gz FURNILQEYLQGRK-INIZCTEOSA-N 1 0 342.458 4.155 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1ccc2c(c1)OCCO2 ZINC000185107044 1052434494 /nfs/dbraw/zinc/43/44/94/1052434494.db2.gz WYLZOJCXFGKDCZ-PBHICJAKSA-N 1 0 327.424 4.274 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc2ccccc2c1O ZINC000185121691 1052443561 /nfs/dbraw/zinc/44/35/61/1052443561.db2.gz QQQNXUNTTLRSJR-ZDUSSCGKSA-N 1 0 325.383 4.028 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc2c(cc1O)CCCC2 ZINC000185125452 1052447428 /nfs/dbraw/zinc/44/74/28/1052447428.db2.gz TVCOOSZUXIGDTG-MRXNPFEDSA-N 1 0 347.462 4.308 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000185311871 1052576543 /nfs/dbraw/zinc/57/65/43/1052576543.db2.gz VUXFJRBGTFMUMT-INIZCTEOSA-N 1 0 340.467 4.029 20 10 EICDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000185318641 1052580151 /nfs/dbraw/zinc/58/01/51/1052580151.db2.gz DMYCJRMQUXZFJW-GFCCVEGCSA-N 1 0 334.460 4.150 20 10 EICDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185840109 1052779344 /nfs/dbraw/zinc/77/93/44/1052779344.db2.gz VZPTWMDMWZCOQX-BIENJYKASA-N 1 0 345.508 4.495 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000186003055 1052841141 /nfs/dbraw/zinc/84/11/41/1052841141.db2.gz NLXBKUHMJQPWHA-SJKOYZFVSA-N 1 0 339.357 4.104 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000186034908 1052856777 /nfs/dbraw/zinc/85/67/77/1052856777.db2.gz AMLICBRBGIUYIO-FOIQADDNSA-N 1 0 325.452 4.309 20 10 EICDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000764144676 1053033828 /nfs/dbraw/zinc/03/38/28/1053033828.db2.gz YVIYNFXTIDYLNN-LJQANCHMSA-N 1 0 338.495 4.333 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1O ZINC000325250797 1053036195 /nfs/dbraw/zinc/03/61/95/1053036195.db2.gz VDOUIIOBFPJZEF-BEFAXECRSA-N 1 0 328.431 4.019 20 10 EICDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000850129377 1053076360 /nfs/dbraw/zinc/07/63/60/1053076360.db2.gz RYCCARQRIMLIDZ-UHFFFAOYSA-N 1 0 344.524 4.421 20 10 EICDRO COc1cc(C[NH2+]C2CCC(F)(F)CC2)c(O)c(C(C)(C)C)c1 ZINC000850229126 1053093170 /nfs/dbraw/zinc/09/31/70/1053093170.db2.gz UIMGGFHKXKIGFU-UHFFFAOYSA-N 1 0 327.415 4.366 20 10 EICDRO COc1cc(C[NH2+]C(C)(C)c2ccc(C)nc2)c(O)c(C(C)(C)C)c1 ZINC000850246117 1053096546 /nfs/dbraw/zinc/09/65/46/1053096546.db2.gz FJZAOANSQJPESW-UHFFFAOYSA-N 1 0 342.483 4.427 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)cc1 ZINC001194764541 1053098820 /nfs/dbraw/zinc/09/88/20/1053098820.db2.gz MHHJYOQGHOKNKW-MOPGFXCFSA-N 1 0 340.511 4.129 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4ccc(C)cc4[nH]3)C2)cc1 ZINC000850330851 1053115616 /nfs/dbraw/zinc/11/56/16/1053115616.db2.gz SQMIVOOSOVWCPG-KRWDZBQOSA-N 1 0 349.478 4.101 20 10 EICDRO COc1cc(C[NH2+]CC(C)(C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850327950 1053117106 /nfs/dbraw/zinc/11/71/06/1053117106.db2.gz NXLZTPFSNGODJI-UHFFFAOYSA-N 1 0 342.483 4.161 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)C3CCC(F)CC3)CC2)cc1 ZINC000850396000 1053165451 /nfs/dbraw/zinc/16/54/51/1053165451.db2.gz NJEQQRYWXQKDEY-KLAILNCOSA-N 1 0 334.479 4.170 20 10 EICDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406803 1053172781 /nfs/dbraw/zinc/17/27/81/1053172781.db2.gz UOQZMWVKVLUVIK-MJGOQNOKSA-N 1 0 330.516 4.096 20 10 EICDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)CC1 ZINC000850405485 1053173202 /nfs/dbraw/zinc/17/32/02/1053173202.db2.gz QCTFYCKMUWORMI-UHFFFAOYSA-N 1 0 346.474 4.091 20 10 EICDRO CCCC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405880 1053174028 /nfs/dbraw/zinc/17/40/28/1053174028.db2.gz JDQINNPOSRRVCO-UHFFFAOYSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850422976 1053194884 /nfs/dbraw/zinc/19/48/84/1053194884.db2.gz JSEDMYCMFMFRRT-KRWDZBQOSA-N 1 0 336.479 4.463 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000764568112 1053195049 /nfs/dbraw/zinc/19/50/49/1053195049.db2.gz AHNGQIOZXJIFHO-IRXDYDNUSA-N 1 0 342.458 4.117 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)cc1 ZINC000764577062 1053204214 /nfs/dbraw/zinc/20/42/14/1053204214.db2.gz ZRRUOQDOCDHJPL-MAUKXSAKSA-N 1 0 331.529 4.158 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000775630422 1053217839 /nfs/dbraw/zinc/21/78/39/1053217839.db2.gz LCHLZRVSWWBFEH-OAHLLOKOSA-N 1 0 335.245 4.128 20 10 EICDRO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764652987 1053246287 /nfs/dbraw/zinc/24/62/87/1053246287.db2.gz FFXZITLNHCGAJW-SFHVURJKSA-N 1 0 329.532 4.202 20 10 EICDRO COC1CC(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000850480641 1053253257 /nfs/dbraw/zinc/25/32/57/1053253257.db2.gz AYSRBTUVPAIZOU-GZNCHQMQSA-N 1 0 339.479 4.471 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000850488659 1053255457 /nfs/dbraw/zinc/25/54/57/1053255457.db2.gz OJWPQTRGLGKGAS-DNVCBOLYSA-N 1 0 340.492 4.101 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](CC(C)C)c3ccccn3)C2)cc1 ZINC000850488820 1053256823 /nfs/dbraw/zinc/25/68/23/1053256823.db2.gz OXMZNABADQLTRF-UWJYYQICSA-N 1 0 339.483 4.046 20 10 EICDRO COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1cccc(OC)c1 ZINC000850514100 1053273261 /nfs/dbraw/zinc/27/32/61/1053273261.db2.gz LJWVANSQHQVQII-VUCTXSBTSA-N 1 0 345.414 4.066 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850515461 1053273308 /nfs/dbraw/zinc/27/33/08/1053273308.db2.gz YALAEJVEUVMHLX-SJCJKPOMSA-N 1 0 335.831 4.093 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764763048 1053299598 /nfs/dbraw/zinc/29/95/98/1053299598.db2.gz QOVHGKOVSNOQQQ-RBUKOAKNSA-N 1 0 331.529 4.158 20 10 EICDRO Cc1cc(Br)c(C[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000850538265 1053302139 /nfs/dbraw/zinc/30/21/39/1053302139.db2.gz XKMWIWCAGQGJAR-LBPRGKRZSA-N 1 0 338.270 4.302 20 10 EICDRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850537654 1053302187 /nfs/dbraw/zinc/30/21/87/1053302187.db2.gz WQOOUUKHUIHEOY-TVQRCGJNSA-N 1 0 334.204 4.241 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1O ZINC000850542797 1053304505 /nfs/dbraw/zinc/30/45/05/1053304505.db2.gz CCVAFDCQFWMEDC-QFYYESIMSA-N 1 0 348.240 4.198 20 10 EICDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553946 1053310634 /nfs/dbraw/zinc/31/06/34/1053310634.db2.gz FIYRGNQUKLCFQC-ZLGUVYLKSA-N 1 0 326.484 4.161 20 10 EICDRO CC(C)[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850555152 1053310709 /nfs/dbraw/zinc/31/07/09/1053310709.db2.gz MKXDSMCGDLAVCV-JKDHXBHNSA-N 1 0 343.442 4.427 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c(O)c1 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ZSTUYWMRJVCHKG-RTBURBONSA-N 1 0 337.511 4.320 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000764884388 1053355883 /nfs/dbraw/zinc/35/58/83/1053355883.db2.gz ZSTUYWMRJVCHKG-RBUKOAKNSA-N 1 0 337.511 4.320 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c(OC)c1 ZINC000775647689 1053367218 /nfs/dbraw/zinc/36/72/18/1053367218.db2.gz ZCXQAKFWBQFXNY-GOSISDBHSA-N 1 0 327.424 4.055 20 10 EICDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962449 1053397913 /nfs/dbraw/zinc/39/79/13/1053397913.db2.gz JDBQEDOYXQXOOU-NBHGPNQESA-N 1 0 345.506 4.093 20 10 EICDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000764962450 1053398239 /nfs/dbraw/zinc/39/82/39/1053398239.db2.gz JDBQEDOYXQXOOU-SCWSEQNSSA-N 1 0 345.506 4.093 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1O ZINC000794811410 1053415905 /nfs/dbraw/zinc/41/59/05/1053415905.db2.gz QZASKXFBCOGZEV-OALUTQOASA-N 1 0 341.451 4.436 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1O ZINC000794811412 1053415952 /nfs/dbraw/zinc/41/59/52/1053415952.db2.gz QZASKXFBCOGZEV-RTBURBONSA-N 1 0 341.451 4.436 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1O ZINC000794811151 1053416387 /nfs/dbraw/zinc/41/63/87/1053416387.db2.gz VKGMARKCFLVTSE-QGZVFWFLSA-N 1 0 348.487 4.141 20 10 EICDRO CC[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(C)cc1O ZINC000794813047 1053419637 /nfs/dbraw/zinc/41/96/37/1053419637.db2.gz BADVTKCMJPSQGV-AWEZNQCLSA-N 1 0 327.321 4.498 20 10 EICDRO CC[C@@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C)cc1O ZINC000794813534 1053420094 /nfs/dbraw/zinc/42/00/94/1053420094.db2.gz AGKLSZFCNPESMZ-QGZVFWFLSA-N 1 0 338.451 4.474 20 10 EICDRO Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O ZINC000775663294 1053431682 /nfs/dbraw/zinc/43/16/82/1053431682.db2.gz LPBJRJHXUNAONJ-TXEJJXNPSA-N 1 0 341.295 4.263 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)C ZINC000765078298 1053438252 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COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)cc1OC ZINC000775714441 1053657071 /nfs/dbraw/zinc/65/70/71/1053657071.db2.gz OVLVYCGYWZIGQE-MRXNPFEDSA-N 1 0 345.439 4.428 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242352 1053657975 /nfs/dbraw/zinc/65/79/75/1053657975.db2.gz PMUKZNYNYWAPIT-CRAIPNDOSA-N 1 0 333.435 4.224 20 10 EICDRO C[C@H]([NH2+]Cc1noc2ccc(F)cc21)c1cc2c(cc1O)CCCC2 ZINC000866510628 1053759180 /nfs/dbraw/zinc/75/91/80/1053759180.db2.gz GFYOKNQKTJQWFD-LBPRGKRZSA-N 1 0 340.398 4.402 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512353 1053761760 /nfs/dbraw/zinc/76/17/60/1053761760.db2.gz YLYMBRHQIMOPKB-NOZJJQNGSA-N 1 0 330.334 4.150 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1O ZINC000854225891 1053782441 /nfs/dbraw/zinc/78/24/41/1053782441.db2.gz MKOFOEDEWOCLJM-HWPZZCPQSA-N 1 0 347.256 4.075 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](Cc2cccnc2)C2CCCC2)c1O ZINC000866611212 1053804104 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EICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000121831825 1053850805 /nfs/dbraw/zinc/85/08/05/1053850805.db2.gz HIBBKXNGULUDJA-IRXDYDNUSA-N 1 0 334.467 4.350 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2ncsc2c1 ZINC000776806788 1053908196 /nfs/dbraw/zinc/90/81/96/1053908196.db2.gz BZWRVTMEAWERNB-LBPRGKRZSA-N 1 0 329.444 4.352 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000122464574 1053973081 /nfs/dbraw/zinc/97/30/81/1053973081.db2.gz OCNHSUKZPPZVTE-ZDUSSCGKSA-N 1 0 348.487 4.473 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCCO2 ZINC000122666533 1054015413 /nfs/dbraw/zinc/01/54/13/1054015413.db2.gz FTNIWNRPLICYHT-HXUWFJFHSA-N 1 0 340.467 4.073 20 10 EICDRO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cc1[O-] ZINC000186164959 1054057596 /nfs/dbraw/zinc/05/75/96/1054057596.db2.gz YQJJVXOVJCRGHM-ZLPCBKJTSA-N 1 0 334.479 4.225 20 10 EICDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000775830640 1054093765 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COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nc1 ZINC000775970535 1054417727 /nfs/dbraw/zinc/41/77/27/1054417727.db2.gz ALBLPAYLNXIZFO-UHFFFAOYSA-N 1 0 326.440 4.131 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccncc3Cl)cc2)CC1 ZINC000858131736 1054420981 /nfs/dbraw/zinc/42/09/81/1054420981.db2.gz GOHGAWUHZZYGIQ-UHFFFAOYSA-N 1 0 329.875 4.261 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)c2cccc(OC)c2)ccc1OC ZINC001199581548 1054428422 /nfs/dbraw/zinc/42/84/22/1054428422.db2.gz GVNJHWCGFMTBCB-HNNXBMFYSA-N 1 0 329.440 4.091 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000858162353 1054428703 /nfs/dbraw/zinc/42/87/03/1054428703.db2.gz XZABRGMQYCTAJF-JTQLQIEISA-N 1 0 334.204 4.070 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)c2ccccc2O1 ZINC000858170327 1054431690 /nfs/dbraw/zinc/43/16/90/1054431690.db2.gz DXHGIFYUJNLQSQ-IAQYHMDHSA-N 1 0 348.240 4.157 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1F ZINC000858192231 1054436188 /nfs/dbraw/zinc/43/61/88/1054436188.db2.gz HPBKYWDDRMALCL-UHFFFAOYSA-N 1 0 330.369 4.088 20 10 EICDRO COCCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCCC1 ZINC000776014823 1054449183 /nfs/dbraw/zinc/44/91/83/1054449183.db2.gz QYHXIWABZRKVSV-UHFFFAOYSA-N 1 0 341.879 4.131 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)c1O ZINC000858291530 1054455345 /nfs/dbraw/zinc/45/53/45/1054455345.db2.gz BOQUIUMXVWPIQH-UHFFFAOYSA-N 1 0 346.377 4.431 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)cc1 ZINC000858291565 1054455586 /nfs/dbraw/zinc/45/55/86/1054455586.db2.gz CVUMPBDENDCKGE-UHFFFAOYSA-N 1 0 329.394 4.392 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)cc1F ZINC001199732839 1054455843 /nfs/dbraw/zinc/45/58/43/1054455843.db2.gz SLSFMAFQMUAYOV-QGZVFWFLSA-N 1 0 349.538 4.272 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC001199732701 1054456592 /nfs/dbraw/zinc/45/65/92/1054456592.db2.gz RFHKECBHWVWAPB-ZDUSSCGKSA-N 1 0 344.405 4.322 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1O ZINC000124230334 1054459339 /nfs/dbraw/zinc/45/93/39/1054459339.db2.gz WYDUBWHVEQXYJA-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc4nccnc4c3)cc2)CC1 ZINC000873048096 1054479242 /nfs/dbraw/zinc/47/92/42/1054479242.db2.gz OYFMKBBKUPFNMO-UHFFFAOYSA-N 1 0 346.478 4.156 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccccc3C)CC2)cc1Cn1cccn1 ZINC000873133420 1054490434 /nfs/dbraw/zinc/49/04/34/1054490434.db2.gz HWGATBFSFQWQLX-UHFFFAOYSA-N 1 0 347.462 4.027 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282175624 1054490753 /nfs/dbraw/zinc/49/07/53/1054490753.db2.gz ZAMTZGVCIDUECA-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO Cc1sc(C[NH2+]Cc2cc(C)ccc2O)cc1Br ZINC000873143255 1054492508 /nfs/dbraw/zinc/49/25/08/1054492508.db2.gz ZCAHBLIDHIXYAS-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000873186479 1054508144 /nfs/dbraw/zinc/50/81/44/1054508144.db2.gz OQLHMLXCPWPQIU-NSHDSACASA-N 1 0 340.345 4.056 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553190 1054714960 /nfs/dbraw/zinc/71/49/60/1054714960.db2.gz LIIBCHMQMJVUNW-GFCCVEGCSA-N 1 0 331.287 4.053 20 10 EICDRO C[NH+](C)Cc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001201403373 1054776451 /nfs/dbraw/zinc/77/64/51/1054776451.db2.gz OUEKIXQQYUPSNK-UHFFFAOYSA-N 1 0 331.419 4.118 20 10 EICDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000776166731 1054794966 /nfs/dbraw/zinc/79/49/66/1054794966.db2.gz DNEKPPAJZXDJAT-PXNSSMCTSA-N 1 0 330.516 4.125 20 10 EICDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)c1 ZINC000776174207 1054803242 /nfs/dbraw/zinc/80/32/42/1054803242.db2.gz CWHWUGCZHNTDEE-UHFFFAOYSA-N 1 0 343.467 4.461 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000186199591 1054880167 /nfs/dbraw/zinc/88/01/67/1054880167.db2.gz SBOBUTLNRNSOON-CYFNAFFESA-N 1 0 346.421 4.075 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000186199842 1054890690 /nfs/dbraw/zinc/89/06/90/1054890690.db2.gz MKRIUGKSKPPENU-CYFNAFFESA-N 1 0 346.421 4.075 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788164 1054919378 /nfs/dbraw/zinc/91/93/78/1054919378.db2.gz VWMPWTVBVDZNNE-YVEFUNNKSA-N 1 0 337.822 4.095 20 10 EICDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201786885 1054920048 /nfs/dbraw/zinc/92/00/48/1054920048.db2.gz OTCLKACGTXDYQS-IIBYNOLFSA-N 1 0 342.458 4.028 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(Cl)c1 ZINC001201890198 1054936077 /nfs/dbraw/zinc/93/60/77/1054936077.db2.gz VNNBPRGYEXOCSN-KRWDZBQOSA-N 1 0 340.250 4.005 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCC2CCC(OC)CC2)cc1F ZINC001201920353 1054950369 /nfs/dbraw/zinc/95/03/69/1054950369.db2.gz PUKJVRBCAAZSPV-UHFFFAOYSA-N 1 0 336.495 4.357 20 10 EICDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001201953982 1054965402 /nfs/dbraw/zinc/96/54/02/1054965402.db2.gz CMFGJIMLEIDOQF-HNAYVOBHSA-N 1 0 330.497 4.042 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2O)ccc1OC(C)C ZINC000876917513 1054984074 /nfs/dbraw/zinc/98/40/74/1054984074.db2.gz UVAQRZFDNWJCKI-HNNXBMFYSA-N 1 0 329.440 4.347 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(C(F)(F)F)c1 ZINC000876996196 1054997046 /nfs/dbraw/zinc/99/70/46/1054997046.db2.gz PBQPQJNDMWTSSO-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202133948 1055046989 /nfs/dbraw/zinc/04/69/89/1055046989.db2.gz CAJSYKAOYRRUIS-NVXWUHKLSA-N 1 0 331.460 4.111 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)cc1Cn1cccn1 ZINC001202202748 1055083198 /nfs/dbraw/zinc/08/31/98/1055083198.db2.gz GLETYOYGCWCBAZ-LNLFQRSKSA-N 1 0 341.499 4.102 20 10 EICDRO CC(C)[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC001202212568 1055089038 /nfs/dbraw/zinc/08/90/38/1055089038.db2.gz GUEIXRCLMHVNKF-LAUSPLOCSA-N 1 0 338.495 4.114 20 10 EICDRO OCc1cccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)c1 ZINC000776264530 1055102422 /nfs/dbraw/zinc/10/24/22/1055102422.db2.gz JLJBYSVOLHSXSF-JOCHJYFZSA-N 1 0 347.458 4.348 20 10 EICDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2O)sc2nc(C)nc(C)c12 ZINC000877757071 1055114816 /nfs/dbraw/zinc/11/48/16/1055114816.db2.gz FAMDUBKXSLKIHL-NSHDSACASA-N 1 0 327.453 4.173 20 10 EICDRO C[C@@H]([NH2+]Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1O ZINC000877755912 1055115262 /nfs/dbraw/zinc/11/52/62/1055115262.db2.gz SGDDWXONITWJOF-LLVKDONJSA-N 1 0 349.456 4.047 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000119318008 1055154692 /nfs/dbraw/zinc/15/46/92/1055154692.db2.gz BLPTUUZTTWIROY-NVXWUHKLSA-N 1 0 334.479 4.424 20 10 EICDRO Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC001202417935 1055163404 /nfs/dbraw/zinc/16/34/04/1055163404.db2.gz PLKWLPCRZNIHDQ-OAHLLOKOSA-N 1 0 333.353 4.206 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1Cl ZINC000826036791 1055250138 /nfs/dbraw/zinc/25/01/38/1055250138.db2.gz OVQPNGPZMSEBLM-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001202475653 1055292133 /nfs/dbraw/zinc/29/21/33/1055292133.db2.gz ZBMJUQXNXKGDMR-UHFFFAOYSA-N 1 0 333.357 4.190 20 10 EICDRO Cc1cc(C#N)ccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000186291012 1055324267 /nfs/dbraw/zinc/32/42/67/1055324267.db2.gz VZDODFYBLDKOQX-UHFFFAOYSA-N 1 0 332.403 4.368 20 10 EICDRO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CCOCC2)cc1 ZINC000921747312 1056405929 /nfs/dbraw/zinc/40/59/29/1056405929.db2.gz MXWWPRRKGWRKDD-QFIPXVFZSA-N 1 0 337.463 4.269 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2cccn2)c1 ZINC000921805727 1056607615 /nfs/dbraw/zinc/60/76/15/1056607615.db2.gz GOOJEBKMINSWSK-INIZCTEOSA-N 1 0 333.435 4.048 20 10 EICDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000742377700 1058602034 /nfs/dbraw/zinc/60/20/34/1058602034.db2.gz PWIUTBBHKZNLHX-HNNXBMFYSA-N 1 0 349.478 4.130 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)CCC2 ZINC000743382174 1058964672 /nfs/dbraw/zinc/96/46/72/1058964672.db2.gz DLJMTZTUYITVBH-MRXNPFEDSA-N 1 0 339.504 4.495 20 10 EICDRO CCC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000743870162 1059191654 /nfs/dbraw/zinc/19/16/54/1059191654.db2.gz JSLMCPFIHGGZLL-UHFFFAOYSA-N 1 0 339.414 4.129 20 10 EICDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1c(O)ccc2ccncc21 ZINC000746034288 1059979536 /nfs/dbraw/zinc/97/95/36/1059979536.db2.gz NBNLACJFZUYRNO-UHFFFAOYSA-N 1 0 336.435 4.361 20 10 EICDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401598 1060330743 /nfs/dbraw/zinc/33/07/43/1060330743.db2.gz SVEVOCAFTOYRQM-XMSQKQJNSA-N 1 0 338.495 4.370 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000766470509 1060373129 /nfs/dbraw/zinc/37/31/29/1060373129.db2.gz HZMYMGWBDVRATH-JOCHJYFZSA-N 1 0 333.431 4.191 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766538169 1060514709 /nfs/dbraw/zinc/51/47/09/1060514709.db2.gz RHYPYEIOAUMUPK-CMKODMSKSA-N 1 0 341.543 4.343 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(-c2cncn2C)c1 ZINC001169693717 1060901800 /nfs/dbraw/zinc/90/18/00/1060901800.db2.gz YXGUEHLGWBEDDE-IBGZPJMESA-N 1 0 332.451 4.327 20 10 EICDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1N(C)C ZINC001169872569 1061016588 /nfs/dbraw/zinc/01/65/88/1061016588.db2.gz MBIMTQDSAJLLFA-DGEVVOEJSA-N 1 0 344.543 4.213 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)c1O ZINC000729682265 1032130985 /nfs/dbraw/zinc/13/09/85/1032130985.db2.gz ZMEUIDOYOQSVNL-UHFFFAOYSA-N 1 0 338.451 4.487 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCC(F)(F)CC1 ZINC000690882851 1032235533 /nfs/dbraw/zinc/23/55/33/1032235533.db2.gz ZZPFFBCKPWKBJP-JTQLQIEISA-N 1 0 348.231 4.458 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000529568550 1032460570 /nfs/dbraw/zinc/46/05/70/1032460570.db2.gz BNDZREMBTXIUJI-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2O)ccc1OCC(C)C ZINC000237255368 1032853141 /nfs/dbraw/zinc/85/31/41/1032853141.db2.gz DRMOXTOGBQINKL-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1O ZINC000154926023 1020114938 /nfs/dbraw/zinc/11/49/38/1020114938.db2.gz WVXFZNYVHJGDKT-HXUWFJFHSA-N 1 0 335.451 4.436 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2c1CCOC2 ZINC001167108455 1020186519 /nfs/dbraw/zinc/18/65/19/1020186519.db2.gz PMWWESOKSMZLOZ-UHFFFAOYSA-N 1 0 338.495 4.236 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1C ZINC000275322073 1020418188 /nfs/dbraw/zinc/41/81/88/1020418188.db2.gz LFDRVDLQBDYIQP-ZDUSSCGKSA-N 1 0 343.858 4.400 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1O ZINC000155273790 1020428757 /nfs/dbraw/zinc/42/87/57/1020428757.db2.gz HALLMNRPWZSPIW-LJQANCHMSA-N 1 0 338.451 4.150 20 10 EICDRO C[C@@H](c1ccccc1)[N@H+](CCCn1ccnc1)Cc1ccccc1O ZINC000179647626 1022363647 /nfs/dbraw/zinc/36/36/47/1022363647.db2.gz TZLMQSASIPRUAV-SFHVURJKSA-N 1 0 335.451 4.242 20 10 EICDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000180416014 1022485356 /nfs/dbraw/zinc/48/53/56/1022485356.db2.gz BYWXSWJRTLAMPE-NRFANRHFSA-N 1 0 348.494 4.394 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000180422830 1022654001 /nfs/dbraw/zinc/65/40/01/1022654001.db2.gz XHKAATGPEYYCII-SNVBAGLBSA-N 1 0 348.786 4.007 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000378397915 1022800385 /nfs/dbraw/zinc/80/03/85/1022800385.db2.gz DVNSHNRTFSZSEK-JOCHJYFZSA-N 1 0 348.494 4.394 20 10 EICDRO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855915 1022859460 /nfs/dbraw/zinc/85/94/60/1022859460.db2.gz OALJQSUMQMEYRY-ORAYPTAESA-N 1 0 341.842 4.219 20 10 EICDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858617 1022863897 /nfs/dbraw/zinc/86/38/97/1022863897.db2.gz DYSVHYBBFAVVLU-YJBOKZPZSA-N 1 0 339.483 4.004 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1O ZINC001167707645 1022993884 /nfs/dbraw/zinc/99/38/84/1022993884.db2.gz AVLODEJCLGSDIL-HXUWFJFHSA-N 1 0 339.410 4.386 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000185126620 1023009444 /nfs/dbraw/zinc/00/94/44/1023009444.db2.gz CHSCMHQSRIRWKU-GOSISDBHSA-N 1 0 339.479 4.408 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)CCO2 ZINC000186694857 1023156701 /nfs/dbraw/zinc/15/67/01/1023156701.db2.gz INHUOLCGRHDUHJ-PXAZEXFGSA-N 1 0 331.387 4.104 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698960 1023156893 /nfs/dbraw/zinc/15/68/93/1023156893.db2.gz FFTOARCTLBNDRO-QRWLVFNGSA-N 1 0 340.467 4.326 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1F ZINC000892737681 1023356238 /nfs/dbraw/zinc/35/62/38/1023356238.db2.gz IIQNNKVCYNFYOX-UHFFFAOYSA-N 1 0 326.337 4.258 20 10 EICDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](CC)c1ccccc1O ZINC000156309132 1023458327 /nfs/dbraw/zinc/45/83/27/1023458327.db2.gz QOWISUUABBQXDR-IBGZPJMESA-N 1 0 343.467 4.357 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1nccn1-c1ccccc1 ZINC000377355395 1023483761 /nfs/dbraw/zinc/48/37/61/1023483761.db2.gz VMYSECLBSSHGRM-CYBMUJFWSA-N 1 0 327.815 4.082 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992633 1023497531 /nfs/dbraw/zinc/49/75/31/1023497531.db2.gz IAMQMNPBVICZFM-KKSFZXQISA-N 1 0 342.458 4.094 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3s2)c(O)c1OC ZINC000892928029 1023508428 /nfs/dbraw/zinc/50/84/28/1023508428.db2.gz FCXRERRBIFMMAQ-LBPRGKRZSA-N 1 0 343.448 4.475 20 10 EICDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O ZINC000326396233 1023844122 /nfs/dbraw/zinc/84/41/22/1023844122.db2.gz MGJYTBLUBKLDKF-AWEZNQCLSA-N 1 0 336.391 4.347 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000891656492 1023853748 /nfs/dbraw/zinc/85/37/48/1023853748.db2.gz ABUYOUFMYAMUST-AWEZNQCLSA-N 1 0 345.439 4.001 20 10 EICDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000236718751 1024035515 /nfs/dbraw/zinc/03/55/15/1024035515.db2.gz RORCGJVXUURHNK-OAQYLSRUSA-N 1 0 338.495 4.400 20 10 EICDRO Oc1cccc(Cl)c1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000125263282 1024214559 /nfs/dbraw/zinc/21/45/59/1024214559.db2.gz CQOARSGLRMFIFW-UHFFFAOYSA-N 1 0 348.899 4.207 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCCNc2ccccn2)cc1 ZINC000162846183 1024951477 /nfs/dbraw/zinc/95/14/77/1024951477.db2.gz QRQCJMVNNZEYBF-KRWDZBQOSA-N 1 0 326.488 4.081 20 10 EICDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000796703706 1025017572 /nfs/dbraw/zinc/01/75/72/1025017572.db2.gz UJDBDSJRZPKIQN-IAGOWNOFSA-N 1 0 345.414 4.495 20 10 EICDRO c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC000800222353 1025319509 /nfs/dbraw/zinc/31/95/09/1025319509.db2.gz PPNPXQHDNGLABM-PZJWPPBQSA-N 1 0 335.495 4.498 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000122160622 1025360429 /nfs/dbraw/zinc/36/04/29/1025360429.db2.gz DJARAWNXMQCBBA-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000122272791 1025386743 /nfs/dbraw/zinc/38/67/43/1025386743.db2.gz WSCVFVRCELEYIX-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157822095 1026072652 /nfs/dbraw/zinc/07/26/52/1026072652.db2.gz XHMDPXQQUUONEG-LRQRDZAKSA-N 1 0 328.500 4.285 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550211134 1026343401 /nfs/dbraw/zinc/34/34/01/1026343401.db2.gz PEMSDICKIBRBPJ-UHFFFAOYSA-N 1 0 345.446 4.355 20 10 EICDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1O ZINC000279490427 1026456128 /nfs/dbraw/zinc/45/61/28/1026456128.db2.gz LQEOMWCOCUMHJG-SNVBAGLBSA-N 1 0 340.301 4.170 20 10 EICDRO Oc1ccccc1C[N@H+](CCN1CCc2ccccc21)Cc1ccco1 ZINC001167984676 1026701662 /nfs/dbraw/zinc/70/16/62/1026701662.db2.gz VRXLULDLGXHXDP-UHFFFAOYSA-N 1 0 348.446 4.050 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000279831191 1026719838 /nfs/dbraw/zinc/71/98/38/1026719838.db2.gz QIUAXRYMEKWETM-UHFFFAOYSA-N 1 0 335.451 4.196 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000112536873 1026726877 /nfs/dbraw/zinc/72/68/77/1026726877.db2.gz PUQHHWBCLJXGDE-GJZGRUSLSA-N 1 0 346.421 4.213 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000112536875 1026727840 /nfs/dbraw/zinc/72/78/40/1026727840.db2.gz PUQHHWBCLJXGDE-LSDHHAIUSA-N 1 0 346.421 4.213 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2sccc2Br)c1 ZINC000147959186 1027537283 /nfs/dbraw/zinc/53/72/83/1027537283.db2.gz YYNDFKZAXFJWCF-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840935304 1027790559 /nfs/dbraw/zinc/79/05/59/1027790559.db2.gz KWODPSHEOZYZBX-UHFFFAOYSA-N 1 0 348.494 4.153 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)c(Cl)c1 ZINC000840951445 1027811996 /nfs/dbraw/zinc/81/19/96/1027811996.db2.gz XAOXTFOUIJXQIZ-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281207407 1028441973 /nfs/dbraw/zinc/44/19/73/1028441973.db2.gz SJTJQEFCMJGASB-FZMZJTMJSA-N 1 0 335.245 4.352 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290060 1028508010 /nfs/dbraw/zinc/50/80/10/1028508010.db2.gz YAIVSKRAVCCCOE-NEPJUHHUSA-N 1 0 335.245 4.270 20 10 EICDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1Br ZINC000840766564 1029166280 /nfs/dbraw/zinc/16/62/80/1029166280.db2.gz LJDJCUJBNMGMMF-OAHLLOKOSA-N 1 0 332.241 4.240 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000161890103 1029210451 /nfs/dbraw/zinc/21/04/51/1029210451.db2.gz AATOXYPFAXKBCC-IBGZPJMESA-N 1 0 340.467 4.155 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000192720646 1029369484 /nfs/dbraw/zinc/36/94/84/1029369484.db2.gz IHBQXJQSHQEMIV-NEPJUHHUSA-N 1 0 337.366 4.414 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000475193195 1029406182 /nfs/dbraw/zinc/40/61/82/1029406182.db2.gz SQVNUCFISBGNCN-UHFFFAOYSA-N 1 0 340.854 4.365 20 10 EICDRO CCn1nc(C[NH2+]Cc2c(C)c3ccccc3n2C)c2ccccc21 ZINC000475196167 1029417149 /nfs/dbraw/zinc/41/71/49/1029417149.db2.gz JIPAQJRPMQDXNS-UHFFFAOYSA-N 1 0 332.451 4.146 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000475202504 1029431705 /nfs/dbraw/zinc/43/17/05/1029431705.db2.gz JXUVVFGFGCVCTH-UHFFFAOYSA-N 1 0 331.419 4.030 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000475206800 1029439466 /nfs/dbraw/zinc/43/94/66/1029439466.db2.gz OKRAMYWTTWIBIM-UHFFFAOYSA-N 1 0 348.425 4.101 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213522 1030225008 /nfs/dbraw/zinc/22/50/08/1030225008.db2.gz ADDYXVCPOLDJOZ-STQMWFEESA-N 1 0 329.271 4.024 20 10 EICDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000268933932 1030456669 /nfs/dbraw/zinc/45/66/69/1030456669.db2.gz ZQZFDOVKZQYPMK-UHFFFAOYSA-N 1 0 340.467 4.168 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)OC)c1 ZINC000527930433 1030970542 /nfs/dbraw/zinc/97/05/42/1030970542.db2.gz UXGRTOQRYUQWGH-HNAYVOBHSA-N 1 0 329.440 4.056 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)OC)c1 ZINC000527930426 1030972252 /nfs/dbraw/zinc/97/22/52/1030972252.db2.gz UXGRTOQRYUQWGH-BEFAXECRSA-N 1 0 329.440 4.056 20 10 EICDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1O ZINC000528042781 1031057118 /nfs/dbraw/zinc/05/71/18/1031057118.db2.gz ISGQOMOWAKRSIO-YLJYHZDGSA-N 1 0 326.440 4.296 20 10 EICDRO C[C@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1O ZINC000359990987 1031905031 /nfs/dbraw/zinc/90/50/31/1031905031.db2.gz CWVCIAHFYCDGLY-ZDUSSCGKSA-N 1 0 327.815 4.082 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1F ZINC000236963093 1033718237 /nfs/dbraw/zinc/71/82/37/1033718237.db2.gz YVKOQMPIGNIGFQ-UHFFFAOYSA-N 1 0 325.431 4.443 20 10 EICDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]Cc2ccccc2O)c1 ZINC000687630411 1033810874 /nfs/dbraw/zinc/81/08/74/1033810874.db2.gz BFBUTQZDEJSNCP-UHFFFAOYSA-N 1 0 346.402 4.168 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000894206011 1034718981 /nfs/dbraw/zinc/71/89/81/1034718981.db2.gz BNPMPMFPDADXEF-SFHVURJKSA-N 1 0 339.439 4.072 20 10 EICDRO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151213987 1035590263 /nfs/dbraw/zinc/59/02/63/1035590263.db2.gz IOHCKGJXOCWBJE-QGZVFWFLSA-N 1 0 339.483 4.321 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)nc3ccccc23)c1 ZINC000129843303 1035627556 /nfs/dbraw/zinc/62/75/56/1035627556.db2.gz ATXRIDNLUHEROJ-GFCCVEGCSA-N 1 0 342.826 4.453 20 10 EICDRO CC[C@@H]([NH2+]CC1(SC)CCC1)c1cc(Br)ccc1O ZINC000228016123 1036037943 /nfs/dbraw/zinc/03/79/43/1036037943.db2.gz RRVWDGSPDRUCDR-CYBMUJFWSA-N 1 0 344.318 4.481 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@]2(C)CCCc3ccccc32)c1O ZINC000761207592 1036039558 /nfs/dbraw/zinc/03/95/58/1036039558.db2.gz QICKXIIEQAKCGI-LJQANCHMSA-N 1 0 331.843 4.396 20 10 EICDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207054 1036052095 /nfs/dbraw/zinc/05/20/95/1036052095.db2.gz XIUFBHNRKACHFN-KGLIPLIRSA-N 1 0 329.893 4.160 20 10 EICDRO CCC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1O ZINC000170779328 1036829233 /nfs/dbraw/zinc/82/92/33/1036829233.db2.gz INLNWPHLURQZEJ-UHFFFAOYSA-N 1 0 340.467 4.366 20 10 EICDRO Cc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc1N1CCCCC1 ZINC001168393650 1036866861 /nfs/dbraw/zinc/86/68/61/1036866861.db2.gz TWYABFNOESHCJB-NRFANRHFSA-N 1 0 342.527 4.234 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cc1OC ZINC000271876957 1037046908 /nfs/dbraw/zinc/04/69/08/1037046908.db2.gz ZOZLGSFJKPGAOP-HXUWFJFHSA-N 1 0 345.414 4.098 20 10 EICDRO COc1cccc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110392 1037065432 /nfs/dbraw/zinc/06/54/32/1037065432.db2.gz VIYPCEKOKIVBRU-JOCHJYFZSA-N 1 0 349.430 4.128 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273305952 1037405239 /nfs/dbraw/zinc/40/52/39/1037405239.db2.gz CRQISWXYZDGFRV-HOTGVXAUSA-N 1 0 336.439 4.002 20 10 EICDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc(OC)c1OC ZINC000273437494 1037464875 /nfs/dbraw/zinc/46/48/75/1037464875.db2.gz XKXVQBMBHRHOJR-ZIAGYGMSSA-N 1 0 345.439 4.138 20 10 EICDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CCO1 ZINC000273447923 1037466629 /nfs/dbraw/zinc/46/66/29/1037466629.db2.gz FOMVTVQHQJFZLU-NORZTCDRSA-N 1 0 342.277 4.009 20 10 EICDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273445976 1037467119 /nfs/dbraw/zinc/46/71/19/1037467119.db2.gz ZTZOEVPMQYNVSK-INIZCTEOSA-N 1 0 346.515 4.087 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000273457729 1037471233 /nfs/dbraw/zinc/47/12/33/1037471233.db2.gz GZZXIAXFSIMJHB-QUCCMNQESA-N 1 0 329.415 4.153 20 10 EICDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)ccc2O)s1 ZINC000273466091 1037474497 /nfs/dbraw/zinc/47/44/97/1037474497.db2.gz DTFKJHZAQMPCCX-QMMMGPOBSA-N 1 0 341.274 4.079 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)c(O)c1C ZINC000273491561 1037479661 /nfs/dbraw/zinc/47/96/61/1037479661.db2.gz WWOYBWFISMSSNA-INIZCTEOSA-N 1 0 335.451 4.260 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1C ZINC000273490618 1037480261 /nfs/dbraw/zinc/48/02/61/1037480261.db2.gz OFMVWGAZCPXPQY-HZPDHXFCSA-N 1 0 335.513 4.104 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000273488050 1037480311 /nfs/dbraw/zinc/48/03/11/1037480311.db2.gz MTKGJUYFKFBMGO-YLJYHZDGSA-N 1 0 346.421 4.041 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c(O)c1C ZINC000273560401 1037506605 /nfs/dbraw/zinc/50/66/05/1037506605.db2.gz HXZVTRZMXJNPIZ-GOSISDBHSA-N 1 0 349.478 4.299 20 10 EICDRO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000273591023 1037517308 /nfs/dbraw/zinc/51/73/08/1037517308.db2.gz PDFBAFDNBVAMGB-QWHCGFSZSA-N 1 0 346.496 4.286 20 10 EICDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc2ccccc2c1O ZINC000760895649 1037608025 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Cc1ccc(C(=O)C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000054570849 1039380501 /nfs/dbraw/zinc/38/05/01/1039380501.db2.gz CPTOZSABZODZAB-UHFFFAOYSA-N 1 0 337.463 4.412 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000551175216 1040022579 /nfs/dbraw/zinc/02/25/79/1040022579.db2.gz IMICQACOYZXJSM-KNQAVFIVSA-N 1 0 347.506 4.412 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cncs2)c1O ZINC000903312208 1041012687 /nfs/dbraw/zinc/01/26/87/1041012687.db2.gz UHSOBJRMRYGPEO-VHSXEESVSA-N 1 0 341.274 4.331 20 10 EICDRO Cc1cc(Br)c(O)c(CNc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC000904470364 1041496614 /nfs/dbraw/zinc/49/66/14/1041496614.db2.gz ISTFDIXPCNPJSF-UHFFFAOYSA-N 1 0 349.272 4.269 20 10 EICDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)n1 ZINC000122532143 1042449517 /nfs/dbraw/zinc/44/95/17/1042449517.db2.gz NYYQFDNKXGVRLV-HNNXBMFYSA-N 1 0 343.471 4.069 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000760042734 1042937870 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0 341.451 4.061 20 10 EICDRO Cc1cccc(NC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000769469728 1045986701 /nfs/dbraw/zinc/98/67/01/1045986701.db2.gz DJLFOEPBFVZYEU-UHFFFAOYSA-N 1 0 330.859 4.431 20 10 EICDRO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000769499929 1045999007 /nfs/dbraw/zinc/99/90/07/1045999007.db2.gz XTYKGXTYRPOKEI-ZFWWWQNUSA-N 1 0 342.302 4.015 20 10 EICDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N(C)C)cc1)CCC2 ZINC000769515442 1046007799 /nfs/dbraw/zinc/00/77/99/1046007799.db2.gz SRIMYAUGNFZUFF-QGZVFWFLSA-N 1 0 329.513 4.281 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000769710011 1046051233 /nfs/dbraw/zinc/05/12/33/1046051233.db2.gz MCGTYSJRVAULMR-GHTZIAJQSA-N 1 0 338.495 4.370 20 10 EICDRO COc1cc(C)cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1O ZINC000769781397 1046070820 /nfs/dbraw/zinc/07/08/20/1046070820.db2.gz HCKYBPLXMCOUTR-UHFFFAOYSA-N 1 0 347.405 4.367 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2F)c(C(F)(F)F)c1 ZINC000792890537 1046096394 /nfs/dbraw/zinc/09/63/94/1046096394.db2.gz SIYMWOKSYWRTEK-UHFFFAOYSA-N 1 0 326.337 4.200 20 10 EICDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792931310 1046110469 /nfs/dbraw/zinc/11/04/69/1046110469.db2.gz UOOVNOCGQLPJKN-SFTDATJTSA-N 1 0 344.543 4.200 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c(O)c1C ZINC000769987289 1046122336 /nfs/dbraw/zinc/12/23/36/1046122336.db2.gz JEFBHISUBFMUKW-ABSDTBQOSA-N 1 0 326.484 4.351 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1 ZINC000763398662 1046129709 /nfs/dbraw/zinc/12/97/09/1046129709.db2.gz ORZMJJXCNJVGGG-FIKGOQFSSA-N 1 0 326.484 4.306 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000763396104 1046132421 /nfs/dbraw/zinc/13/24/21/1046132421.db2.gz CWOVYWZHXJTBCQ-CZAAIQMYSA-N 1 0 326.484 4.306 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1F ZINC000770312844 1046178371 /nfs/dbraw/zinc/17/83/71/1046178371.db2.gz QCZGCKPATHZBPW-IBGZPJMESA-N 1 0 344.478 4.051 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770327129 1046181063 /nfs/dbraw/zinc/18/10/63/1046181063.db2.gz LKYYKZPLRPAOFD-KXBFYZLASA-N 1 0 349.833 4.273 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992626 1046195337 /nfs/dbraw/zinc/19/53/37/1046195337.db2.gz IAMQMNPBVICZFM-HRAATJIYSA-N 1 0 342.458 4.094 20 10 EICDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793341378 1046202182 /nfs/dbraw/zinc/20/21/82/1046202182.db2.gz SSXVHLMKDORYRZ-QGZVFWFLSA-N 1 0 344.421 4.162 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)c(O)c1 ZINC000793386073 1046229581 /nfs/dbraw/zinc/22/95/81/1046229581.db2.gz IPTPXQBLROTJLZ-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)c(O)c1 ZINC000793389024 1046231714 /nfs/dbraw/zinc/23/17/14/1046231714.db2.gz SUHMHWLFLMHRJP-UHFFFAOYSA-N 1 0 325.380 4.005 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1 ZINC000793528555 1046261124 /nfs/dbraw/zinc/26/11/24/1046261124.db2.gz LCFJINIYTXSQPF-QAPCUYQASA-N 1 0 339.426 4.175 20 10 EICDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000771924874 1046517766 /nfs/dbraw/zinc/51/77/66/1046517766.db2.gz RIGVBTKPOLNHRL-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785573437 1046723365 /nfs/dbraw/zinc/72/33/65/1046723365.db2.gz PXGVPNKWBYUBSE-FIKGOQFSSA-N 1 0 326.484 4.351 20 10 EICDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785979413 1046793154 /nfs/dbraw/zinc/79/31/54/1046793154.db2.gz OJCSYGVDJPQKMB-UEXGIBASSA-N 1 0 328.500 4.166 20 10 EICDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000786156270 1046813095 /nfs/dbraw/zinc/81/30/95/1046813095.db2.gz BDVDENSQKRJOMQ-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO COc1ccccc1OCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000917487395 1046919591 /nfs/dbraw/zinc/91/95/91/1046919591.db2.gz ZUBUQAUJEYWMAE-UHFFFAOYSA-N 1 0 337.419 4.065 20 10 EICDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133004 1047126322 /nfs/dbraw/zinc/12/63/22/1047126322.db2.gz FDWOAKMTYPMYTK-WBMJQRKESA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138218 1047134713 /nfs/dbraw/zinc/13/47/13/1047134713.db2.gz SJXRALMLUXMVMC-HNNXBMFYSA-N 1 0 331.287 4.082 20 10 EICDRO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138220 1047134935 /nfs/dbraw/zinc/13/49/35/1047134935.db2.gz SJXRALMLUXMVMC-OAHLLOKOSA-N 1 0 331.287 4.082 20 10 EICDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)c1ccnn1C ZINC000788260251 1047146509 /nfs/dbraw/zinc/14/65/09/1047146509.db2.gz XIWPAOXQRRNOSS-KXBFYZLASA-N 1 0 337.467 4.369 20 10 EICDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000806173717 1047159219 /nfs/dbraw/zinc/15/92/19/1047159219.db2.gz ZVHMXKFDRPFSDB-SJKOYZFVSA-N 1 0 336.838 4.138 20 10 EICDRO COc1cc(C)cc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1O ZINC000788373079 1047176794 /nfs/dbraw/zinc/17/67/94/1047176794.db2.gz OLPURNOLZALDJK-UHFFFAOYSA-N 1 0 329.415 4.170 20 10 EICDRO OCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC2(CCC2)C1 ZINC000788528958 1047228075 /nfs/dbraw/zinc/22/80/75/1047228075.db2.gz KWBJRCBFSMCXPZ-UHFFFAOYSA-N 1 0 337.463 4.092 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000788568251 1047234481 /nfs/dbraw/zinc/23/44/81/1047234481.db2.gz CIXSTPOBQKOFCQ-INIZCTEOSA-N 1 0 339.483 4.407 20 10 EICDRO CC1=CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000788586353 1047239360 /nfs/dbraw/zinc/23/93/60/1047239360.db2.gz BYEPGYQYDJBSPE-HNNXBMFYSA-N 1 0 336.426 4.345 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn3ccccc3n2)cc1F ZINC000788594672 1047241751 /nfs/dbraw/zinc/24/17/51/1047241751.db2.gz XITBKKIPHABPPM-OAHLLOKOSA-N 1 0 340.446 4.170 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1F ZINC000788591434 1047242208 /nfs/dbraw/zinc/24/22/08/1047242208.db2.gz HXDJCSHTKZCSJD-LJQANCHMSA-N 1 0 328.431 4.033 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c(O)c1 ZINC000788603081 1047245484 /nfs/dbraw/zinc/24/54/84/1047245484.db2.gz DSOCHMUSUHUXGB-WMLDXEAASA-N 1 0 348.437 4.241 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000788619103 1047251006 /nfs/dbraw/zinc/25/10/06/1047251006.db2.gz DHZWXPZCVBVAGT-RBUKOAKNSA-N 1 0 337.511 4.320 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c(O)c1 ZINC000788670129 1047268962 /nfs/dbraw/zinc/26/89/62/1047268962.db2.gz RUWZOAZVFDJNDQ-INIZCTEOSA-N 1 0 341.451 4.064 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)Cc1ccccc1 ZINC000746762052 1047290633 /nfs/dbraw/zinc/29/06/33/1047290633.db2.gz UJNMUDNTJLJSBZ-GAJHUEQPSA-N 1 0 347.458 4.141 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)oc1ccccc12 ZINC000789513252 1047435496 /nfs/dbraw/zinc/43/54/96/1047435496.db2.gz KMSZMSBIVNRUOS-XLIONFOSSA-N 1 0 337.419 4.435 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)oc1ccccc12 ZINC000789569419 1047441495 /nfs/dbraw/zinc/44/14/95/1047441495.db2.gz ZQZZNRAMKUGXEW-NRFANRHFSA-N 1 0 337.419 4.294 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c1 ZINC000897997489 1047521393 /nfs/dbraw/zinc/52/13/93/1047521393.db2.gz DVAURUUKDKYLAQ-LJQANCHMSA-N 1 0 328.456 4.371 20 10 EICDRO CCn1ccc(C[N@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000790450136 1047590960 /nfs/dbraw/zinc/59/09/60/1047590960.db2.gz FHWMOQDNKJXUJP-UHFFFAOYSA-N 1 0 330.472 4.152 20 10 EICDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824370676 1047862632 /nfs/dbraw/zinc/86/26/32/1047862632.db2.gz NPAJPNNRESMJTP-SJLPKXTDSA-N 1 0 344.524 4.147 20 10 EICDRO OC1CCC2(CC1)CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000824521392 1047879567 /nfs/dbraw/zinc/87/95/67/1047879567.db2.gz JCPLEAWSNIHAER-UHFFFAOYSA-N 1 0 342.527 4.194 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000824543181 1047888177 /nfs/dbraw/zinc/88/81/77/1047888177.db2.gz FVLRTPBQDSHOKU-OAHLLOKOSA-N 1 0 338.442 4.079 20 10 EICDRO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696076 1047905541 /nfs/dbraw/zinc/90/55/41/1047905541.db2.gz HJFIINGNNCTGIW-SXLOBPIMSA-N 1 0 325.452 4.061 20 10 EICDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1C ZINC000824820428 1047954870 /nfs/dbraw/zinc/95/48/70/1047954870.db2.gz FSIJACZBIXBFSZ-JXFKEZNVSA-N 1 0 344.524 4.241 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045540 1048023721 /nfs/dbraw/zinc/02/37/21/1048023721.db2.gz GGBWUPHSWHXQOM-YMTOWFKASA-N 1 0 337.341 4.156 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000808677095 1048048062 /nfs/dbraw/zinc/04/80/62/1048048062.db2.gz PDINJBMPNIIBPU-CYBMUJFWSA-N 1 0 334.847 4.387 20 10 EICDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808676976 1048048331 /nfs/dbraw/zinc/04/83/31/1048048331.db2.gz UVILHGLIDIGQRR-CQSZACIVSA-N 1 0 349.858 4.230 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1O ZINC000808677096 1048048667 /nfs/dbraw/zinc/04/86/67/1048048667.db2.gz PDINJBMPNIIBPU-ZDUSSCGKSA-N 1 0 334.847 4.387 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000808707376 1048053033 /nfs/dbraw/zinc/05/30/33/1048053033.db2.gz NJILKYAJSZFFQW-MEBBXXQBSA-N 1 0 341.785 4.016 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000808706114 1048053167 /nfs/dbraw/zinc/05/31/67/1048053167.db2.gz DCYXEJMHEKYZHA-ZDUSSCGKSA-N 1 0 347.842 4.366 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccn1 ZINC000825233354 1048054468 /nfs/dbraw/zinc/05/44/68/1048054468.db2.gz BSUKGECLBKJNJQ-CQSZACIVSA-N 1 0 335.245 4.181 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1O ZINC000825290021 1048062647 /nfs/dbraw/zinc/06/26/47/1048062647.db2.gz MPRWTDQQOIKIFN-IYARVYRRSA-N 1 0 341.451 4.178 20 10 EICDRO CCOc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1OC ZINC000825283378 1048063364 /nfs/dbraw/zinc/06/33/64/1048063364.db2.gz KZQPOGREALONST-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1O ZINC000808715962 1048065167 /nfs/dbraw/zinc/06/51/67/1048065167.db2.gz PBNYAOZEANQHDD-BBRMVZONSA-N 1 0 335.879 4.178 20 10 EICDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808719528 1048067123 /nfs/dbraw/zinc/06/71/23/1048067123.db2.gz VERPWFDRTVPUCG-IQUTYRLHSA-N 1 0 333.859 4.435 20 10 EICDRO OCC1([C@H]([NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CCC1 ZINC000825311407 1048072637 /nfs/dbraw/zinc/07/26/37/1048072637.db2.gz JVXNELYPFYOFFT-MRXNPFEDSA-N 1 0 337.872 4.101 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312434 1048074159 /nfs/dbraw/zinc/07/41/59/1048074159.db2.gz SSZSMESTYACZPQ-GOSISDBHSA-N 1 0 331.481 4.059 20 10 EICDRO Cc1sccc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000815115761 1048330898 /nfs/dbraw/zinc/33/08/98/1048330898.db2.gz MOEDXYXUFHACBE-KBPBESRZSA-N 1 0 348.487 4.099 20 10 EICDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000919948456 1048331268 /nfs/dbraw/zinc/33/12/68/1048331268.db2.gz KJTCNLSFTMCAHQ-UHFFFAOYSA-N 1 0 331.431 4.209 20 10 EICDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1O)CCC2 ZINC000919950061 1048334169 /nfs/dbraw/zinc/33/41/69/1048334169.db2.gz FIPMIQDZTZUACA-UHFFFAOYSA-N 1 0 340.423 4.200 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000815150151 1048348385 /nfs/dbraw/zinc/34/83/85/1048348385.db2.gz PXRCKOGFKCGRQD-HNNXBMFYSA-N 1 0 339.414 4.185 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655853 1048456606 /nfs/dbraw/zinc/45/66/06/1048456606.db2.gz RPSUQZLIRKVNAY-OAQYLSRUSA-N 1 0 340.511 4.382 20 10 EICDRO Cc1cccc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1O ZINC000809689474 1048477315 /nfs/dbraw/zinc/47/73/15/1048477315.db2.gz OYGIPLQSTAKGFL-UHFFFAOYSA-N 1 0 339.357 4.274 20 10 EICDRO CC(C)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809712815 1048490466 /nfs/dbraw/zinc/49/04/66/1048490466.db2.gz VAMRJCAKNIVNKL-UHFFFAOYSA-N 1 0 341.274 4.024 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc2occc2c1 ZINC000809712757 1048491804 /nfs/dbraw/zinc/49/18/04/1048491804.db2.gz DNPAZEMVURMBQJ-UHFFFAOYSA-N 1 0 332.197 4.191 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000815553554 1048505907 /nfs/dbraw/zinc/50/59/07/1048505907.db2.gz CRPAAOBFVWPDLZ-GMAHTHKFSA-N 1 0 347.458 4.389 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)c1O ZINC000809739543 1048511242 /nfs/dbraw/zinc/51/12/42/1048511242.db2.gz NMGGIYQIEYCNIO-LBPRGKRZSA-N 1 0 339.357 4.140 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1O ZINC000809739972 1048512619 /nfs/dbraw/zinc/51/26/19/1048512619.db2.gz JCIXPBUATNLLPJ-UHFFFAOYSA-N 1 0 335.403 4.063 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000815575995 1048516142 /nfs/dbraw/zinc/51/61/42/1048516142.db2.gz GQTILMZFZIOKII-BJLQDIEVSA-N 1 0 338.495 4.495 20 10 EICDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000809757682 1048522773 /nfs/dbraw/zinc/52/27/73/1048522773.db2.gz QXGDSGWSZAHPBL-SFHVURJKSA-N 1 0 327.472 4.466 20 10 EICDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809766453 1048523394 /nfs/dbraw/zinc/52/33/94/1048523394.db2.gz XVWIGUOKNGYTKU-INIZCTEOSA-N 1 0 349.272 4.441 20 10 EICDRO Cc1cc(Br)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000809763128 1048523977 /nfs/dbraw/zinc/52/39/77/1048523977.db2.gz KCOSYGDYULCCBW-UHFFFAOYSA-N 1 0 347.256 4.023 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(F)cn1 ZINC000815589175 1048525139 /nfs/dbraw/zinc/52/51/39/1048525139.db2.gz KLYOLXFESHENMC-HXUWFJFHSA-N 1 0 336.410 4.390 20 10 EICDRO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cc(F)ccc1O ZINC000809783394 1048529197 /nfs/dbraw/zinc/52/91/97/1048529197.db2.gz BCEFUSNEKBKIMS-UHFFFAOYSA-N 1 0 332.419 4.031 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccc(F)n1 ZINC000815598376 1048529343 /nfs/dbraw/zinc/52/93/43/1048529343.db2.gz TZRDOKHVEWMECC-IBGZPJMESA-N 1 0 336.410 4.390 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)c(O)c1 ZINC000809784292 1048532702 /nfs/dbraw/zinc/53/27/02/1048532702.db2.gz SRQQYDFOCDQITO-LJQANCHMSA-N 1 0 329.440 4.383 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000809789847 1048533509 /nfs/dbraw/zinc/53/35/09/1048533509.db2.gz JTAOVGIOEFHEGP-OKILXGFUSA-N 1 0 331.378 4.344 20 10 EICDRO CC(C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815572236 1048534267 /nfs/dbraw/zinc/53/42/67/1048534267.db2.gz XVVJVFJRVUGURV-QUCCMNQESA-N 1 0 327.468 4.063 20 10 EICDRO CCOC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815618046 1048544931 /nfs/dbraw/zinc/54/49/31/1048544931.db2.gz CGMXVNLCNRNVSM-LJQANCHMSA-N 1 0 327.468 4.471 20 10 EICDRO CO[C@](C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815627768 1048553231 /nfs/dbraw/zinc/55/32/31/1048553231.db2.gz JAKRGGDTVKXFIH-IFMALSPDSA-N 1 0 339.479 4.471 20 10 EICDRO COc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815629505 1048554247 /nfs/dbraw/zinc/55/42/47/1048554247.db2.gz FIIIFZYIDHNQEN-QGZVFWFLSA-N 1 0 339.483 4.321 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnccc1OC)c1ccc(C(F)(F)F)cc1O ZINC000815629845 1048554602 /nfs/dbraw/zinc/55/46/02/1048554602.db2.gz ONURWDQGQBEEOH-CQSZACIVSA-N 1 0 340.345 4.056 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C)cc1O ZINC000815637188 1048565787 /nfs/dbraw/zinc/56/57/87/1048565787.db2.gz PZBDTBOTACWZQY-HNNXBMFYSA-N 1 0 338.373 4.398 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815643077 1048567814 /nfs/dbraw/zinc/56/78/14/1048567814.db2.gz SMMUZKQZNGDKJI-CHWSQXEVSA-N 1 0 343.377 4.268 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c(O)c1 ZINC000815647221 1048569593 /nfs/dbraw/zinc/56/95/93/1048569593.db2.gz CHRPIXDSMUURBJ-GJZGRUSLSA-N 1 0 339.414 4.437 20 10 EICDRO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(N(C)C)cc1 ZINC000815645732 1048570905 /nfs/dbraw/zinc/57/09/05/1048570905.db2.gz NZCUTMZZGJEJKM-CYBMUJFWSA-N 1 0 337.389 4.060 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000920257377 1048607209 /nfs/dbraw/zinc/60/72/09/1048607209.db2.gz RIYFORUBADIXSR-UHFFFAOYSA-N 1 0 337.511 4.375 20 10 EICDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000920306070 1048638698 /nfs/dbraw/zinc/63/86/98/1048638698.db2.gz ROCZKYHIVQMONK-LBPRGKRZSA-N 1 0 345.826 4.500 20 10 EICDRO O=C(OCc1ccccc1)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000810168966 1048652131 /nfs/dbraw/zinc/65/21/31/1048652131.db2.gz PLSLKQHDVLTKRN-UHFFFAOYSA-N 1 0 347.414 4.039 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc(Cl)c1 ZINC000810220037 1048688367 /nfs/dbraw/zinc/68/83/67/1048688367.db2.gz ZSZVLUVQUSRELO-LJQANCHMSA-N 1 0 332.875 4.192 20 10 EICDRO CC[C@H]([NH2+]CCc1csc(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810209650 1048704795 /nfs/dbraw/zinc/70/47/95/1048704795.db2.gz HMWMXHYQCPZHCZ-AWEZNQCLSA-N 1 0 344.402 4.459 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810259679 1048710559 /nfs/dbraw/zinc/71/05/59/1048710559.db2.gz PEZPAVXYYHDSEC-CABCVRRESA-N 1 0 331.378 4.003 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc2ccccc2c1O ZINC000810245635 1048727417 /nfs/dbraw/zinc/72/74/17/1048727417.db2.gz FGLSGGLQTDEJTM-POCHDABASA-N 1 0 347.458 4.362 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000810247413 1048728283 /nfs/dbraw/zinc/72/82/83/1048728283.db2.gz WCIOWCYNRGUXRU-ADLFWFRXSA-N 1 0 345.870 4.171 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000810253561 1048729790 /nfs/dbraw/zinc/72/97/90/1048729790.db2.gz WWTJXNQCUZWMOA-QUCCMNQESA-N 1 0 344.524 4.343 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cscc2Br)c1 ZINC000845971183 1048771852 /nfs/dbraw/zinc/77/18/52/1048771852.db2.gz HWZVIGJTYTYUAA-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC000845972152 1048772025 /nfs/dbraw/zinc/77/20/25/1048772025.db2.gz PFGYKBCYYMPDKQ-UQPPLGOBSA-N 1 0 341.451 4.483 20 10 EICDRO Cc1ccccc1C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000845994329 1048791984 /nfs/dbraw/zinc/79/19/84/1048791984.db2.gz AUIVAVGSZWFYIS-UHFFFAOYSA-N 1 0 336.479 4.001 20 10 EICDRO CC[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058316 1048796084 /nfs/dbraw/zinc/79/60/84/1048796084.db2.gz PWBSZVYPWFVMMY-RBUKOAKNSA-N 1 0 335.451 4.150 20 10 EICDRO CCC[N@H+](Cc1conc1Cc1ccccc1)Cc1ccccc1O ZINC000816499165 1048820080 /nfs/dbraw/zinc/82/00/80/1048820080.db2.gz HLTUPMQEFLFLET-UHFFFAOYSA-N 1 0 336.435 4.383 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)c1O ZINC000846135046 1048820220 /nfs/dbraw/zinc/82/02/20/1048820220.db2.gz AHTJLOPZQYIXPR-SUMWQHHRSA-N 1 0 348.874 4.008 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000846149136 1048823415 /nfs/dbraw/zinc/82/34/15/1048823415.db2.gz WIEUQVVCXAFZPZ-PXAZEXFGSA-N 1 0 335.831 4.093 20 10 EICDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846149483 1048823900 /nfs/dbraw/zinc/82/39/00/1048823900.db2.gz NSTDFXUJDRKTLO-AWEZNQCLSA-N 1 0 329.440 4.038 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)c1O ZINC000846147408 1048823910 /nfs/dbraw/zinc/82/39/10/1048823910.db2.gz UVCDBLDEJYOWST-KBXCAEBGSA-N 1 0 343.467 4.083 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000846163870 1048826687 /nfs/dbraw/zinc/82/66/87/1048826687.db2.gz MIVOMHCGOZBWAP-OLZOCXBDSA-N 1 0 331.460 4.073 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164948 1048826809 /nfs/dbraw/zinc/82/68/09/1048826809.db2.gz JJGTUBATYHZVRD-LRDDRELGSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)c1O ZINC000846165065 1048827220 /nfs/dbraw/zinc/82/72/20/1048827220.db2.gz MNUGDFRWXFRVOZ-XEKQOVJPSA-N 1 0 349.858 4.481 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000846168416 1048827821 /nfs/dbraw/zinc/82/78/21/1048827821.db2.gz CBOSUDYUCHBAJP-XJKSGUPXSA-N 1 0 345.439 4.220 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167700 1048828016 /nfs/dbraw/zinc/82/80/16/1048828016.db2.gz MTJVYAWCTQXZRB-AEFFLSMTSA-N 1 0 343.467 4.089 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167704 1048828057 /nfs/dbraw/zinc/82/80/57/1048828057.db2.gz MTJVYAWCTQXZRB-FUHWJXTLSA-N 1 0 343.467 4.089 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)c1O ZINC000846139365 1048830940 /nfs/dbraw/zinc/83/09/40/1048830940.db2.gz SCQJBJKUTBNMHU-AWEZNQCLSA-N 1 0 345.439 4.047 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2COC(C)C)c1O ZINC000846142287 1048831929 /nfs/dbraw/zinc/83/19/29/1048831929.db2.gz DLOJYZDTUNFUSB-HNNXBMFYSA-N 1 0 329.440 4.177 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204373 1048832504 /nfs/dbraw/zinc/83/25/04/1048832504.db2.gz ZSOGLYXLTOEMQE-LRDDRELGSA-N 1 0 345.414 4.493 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207925 1048832769 /nfs/dbraw/zinc/83/27/69/1048832769.db2.gz VGLMVADQEVWSOR-VQIMIIECSA-N 1 0 335.451 4.069 20 10 EICDRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000846207356 1048832842 /nfs/dbraw/zinc/83/28/42/1048832842.db2.gz NBJZKPGKZISCHM-LAUBAEHRSA-N 1 0 348.494 4.121 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000846146622 1048833074 /nfs/dbraw/zinc/83/30/74/1048833074.db2.gz SSQIYWLFWWIZKQ-WJPUGNRLSA-N 1 0 341.451 4.219 20 10 EICDRO Oc1c(C[NH2+]C[C@H](O)c2ccccc2Cl)ccc2ccccc21 ZINC000816552748 1048834648 /nfs/dbraw/zinc/83/46/48/1048834648.db2.gz VATLUTRRHGGMTG-SFHVURJKSA-N 1 0 327.811 4.022 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000846208751 1048834695 /nfs/dbraw/zinc/83/46/95/1048834695.db2.gz KQEWSPFCVGJUIP-MRXNPFEDSA-N 1 0 342.458 4.076 20 10 EICDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000846185490 1048837041 /nfs/dbraw/zinc/83/70/41/1048837041.db2.gz AGVDQIDHAMLXIE-QKKBWIMNSA-N 1 0 329.484 4.127 20 10 EICDRO Oc1c(C[NH2+]CCc2cccc(C(F)(F)F)n2)ccc2ccccc21 ZINC000816627234 1048840809 /nfs/dbraw/zinc/84/08/09/1048840809.db2.gz INNAJTFSQNTIAO-UHFFFAOYSA-N 1 0 346.352 4.292 20 10 EICDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc2ccccc2c1O ZINC000816611031 1048843228 /nfs/dbraw/zinc/84/32/28/1048843228.db2.gz GJRFURGVTAWFJW-UHFFFAOYSA-N 1 0 340.492 4.171 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(C)C)ccc2OC)c1 ZINC000846845465 1048921339 /nfs/dbraw/zinc/92/13/39/1048921339.db2.gz WPRGWLHKCQBADZ-AWEZNQCLSA-N 1 0 329.440 4.384 20 10 EICDRO Cc1c(Cl)c(CN(Cc2ccccc2O)C2CCCC2)nn1C ZINC000817406231 1048959980 /nfs/dbraw/zinc/95/99/80/1048959980.db2.gz KMMKCGRMEHUFCP-UHFFFAOYSA-N 1 0 333.863 4.032 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000817415561 1048966984 /nfs/dbraw/zinc/96/69/84/1048966984.db2.gz UZPSTMWUMVKLNO-IEBWSBKVSA-N 1 0 344.524 4.432 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCO1 ZINC000817585782 1049015732 /nfs/dbraw/zinc/01/57/32/1049015732.db2.gz IAAKJRJCTANFHC-KWCYVHTRSA-N 1 0 342.277 4.071 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949881 1049065197 /nfs/dbraw/zinc/06/51/97/1049065197.db2.gz SVLOXAUCTOAFMF-NSHDSACASA-N 1 0 339.266 4.051 20 10 EICDRO C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955400 1049066323 /nfs/dbraw/zinc/06/63/23/1049066323.db2.gz XPGUEBPHUVNLTB-UZLBHIALSA-N 1 0 341.474 4.167 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1O ZINC000817958839 1049067865 /nfs/dbraw/zinc/06/78/65/1049067865.db2.gz ZLXGTVLREQOTJA-MRXNPFEDSA-N 1 0 349.272 4.020 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1O ZINC000817975854 1049075690 /nfs/dbraw/zinc/07/56/90/1049075690.db2.gz YRQUFUREPFISED-BTYIYWSLSA-N 1 0 332.447 4.083 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817987231 1049080645 /nfs/dbraw/zinc/08/06/45/1049080645.db2.gz RCLFYTMYJBQVNF-MSIPSHCFSA-N 1 0 343.298 4.128 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818117399 1049090838 /nfs/dbraw/zinc/09/08/38/1049090838.db2.gz XSSWHHLCWKCNAE-JKSUJKDBSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)CC2 ZINC001171296940 1049094426 /nfs/dbraw/zinc/09/44/26/1049094426.db2.gz CWGJYDYRXCZLRY-HNNXBMFYSA-N 1 0 344.886 4.062 20 10 EICDRO Cc1cc(O)c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1C ZINC000818288191 1049124748 /nfs/dbraw/zinc/12/47/48/1049124748.db2.gz ZIVATGLBFGTUDX-KRWDZBQOSA-N 1 0 331.481 4.252 20 10 EICDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCC(C)CC4)cc3)C[C@H]2C1 ZINC000818330566 1049130480 /nfs/dbraw/zinc/13/04/80/1049130480.db2.gz ABEUOQZJNMAFQS-DLRWMDTOSA-N 1 0 342.527 4.216 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(CSC)CC3)C2)cc1 ZINC000818341727 1049134094 /nfs/dbraw/zinc/13/40/94/1049134094.db2.gz FCZDNPTUVUYBPK-LXPRWKDFSA-N 1 0 348.556 4.033 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccsc1 ZINC000818342845 1049135351 /nfs/dbraw/zinc/13/53/51/1049135351.db2.gz VWIKYBMHEYJMIS-HNAYVOBHSA-N 1 0 330.497 4.324 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000772999554 1049511126 /nfs/dbraw/zinc/51/11/26/1049511126.db2.gz MOWKOFUPWPBHHW-GOSISDBHSA-N 1 0 327.428 4.210 20 10 EICDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc2ccccc2c1O ZINC000812738256 1049557662 /nfs/dbraw/zinc/55/76/62/1049557662.db2.gz ZXEYQGCHDOAOLA-AWEZNQCLSA-N 1 0 335.451 4.009 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812737421 1049558171 /nfs/dbraw/zinc/55/81/71/1049558171.db2.gz VQPJWECBGFSTHW-DLBZAZTESA-N 1 0 341.474 4.069 20 10 EICDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000773077339 1049567219 /nfs/dbraw/zinc/56/72/19/1049567219.db2.gz CXUDLRRJLHTMOC-HKUYNNGSSA-N 1 0 328.500 4.429 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1 ZINC000773100308 1049581763 /nfs/dbraw/zinc/58/17/63/1049581763.db2.gz UCYHCWYKPYNINC-LAUBAEHRSA-N 1 0 338.495 4.307 20 10 EICDRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773118420 1049591287 /nfs/dbraw/zinc/59/12/87/1049591287.db2.gz ZJWDZVAGBLUHHC-INIZCTEOSA-N 1 0 342.483 4.053 20 10 EICDRO Cc1cc(NCc2cc3ccccc3cc2O)cc(OC(F)F)n1 ZINC001171406679 1049633746 /nfs/dbraw/zinc/63/37/46/1049633746.db2.gz CFAFCLQAVACMOP-UHFFFAOYSA-N 1 0 330.334 4.462 20 10 EICDRO C[NH+](C)Cc1c[nH]c2nccc(NCc3cc4ccccc4cc3O)c12 ZINC001171407060 1049635234 /nfs/dbraw/zinc/63/52/34/1049635234.db2.gz KAMFTAMCGLEKLN-UHFFFAOYSA-N 1 0 346.434 4.095 20 10 EICDRO Oc1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000179585514 1049680128 /nfs/dbraw/zinc/68/01/28/1049680128.db2.gz MYSXWHWBFAHBPF-WMZOPIPTSA-N 1 0 331.481 4.322 20 10 EICDRO Fc1cc2c(cc1F)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001171447870 1049700942 /nfs/dbraw/zinc/70/09/42/1049700942.db2.gz HMYFAFZKZAGJEV-GOSISDBHSA-N 1 0 342.433 4.212 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1C ZINC000237761757 1049749054 /nfs/dbraw/zinc/74/90/54/1049749054.db2.gz SZVHBEPNZRPBIX-UHFFFAOYSA-N 1 0 341.451 4.254 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635969 1049777832 /nfs/dbraw/zinc/77/78/32/1049777832.db2.gz AXZDAQNHLHYPTP-UHFFFAOYSA-N 1 0 343.559 4.370 20 10 EICDRO COc1ccc(O)c(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000180045377 1049830634 /nfs/dbraw/zinc/83/06/34/1049830634.db2.gz PZHBZRYSLUMOJN-UHFFFAOYSA-N 1 0 334.419 4.171 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(O)c1C ZINC000813884302 1049831444 /nfs/dbraw/zinc/83/14/44/1049831444.db2.gz HIDIEDNDDCGOPK-KSMMKXTCSA-N 1 0 331.481 4.424 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cc(Cl)ccc1O ZINC000813884338 1049831679 /nfs/dbraw/zinc/83/16/79/1049831679.db2.gz IGVOXSKPWBHJRF-DINDLPBHSA-N 1 0 337.872 4.460 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000813885926 1049832699 /nfs/dbraw/zinc/83/26/99/1049832699.db2.gz ZADUIAUOYBFWCV-DRZCJDIDSA-N 1 0 335.806 4.056 20 10 EICDRO Cc1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875134 1049870671 /nfs/dbraw/zinc/87/06/71/1049870671.db2.gz KHXRFVYOOLIMEK-UONOGXRCSA-N 1 0 345.512 4.008 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000180649651 1049922035 /nfs/dbraw/zinc/92/20/35/1049922035.db2.gz YGTYMCWBAGUXAK-IBGZPJMESA-N 1 0 337.419 4.029 20 10 EICDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001177209673 1050162814 /nfs/dbraw/zinc/16/28/14/1050162814.db2.gz QGZSXEBBIOXNBK-PKOBYXMFSA-N 1 0 348.506 4.357 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(O)c1 ZINC001203629202 1050181178 /nfs/dbraw/zinc/18/11/78/1050181178.db2.gz SVCSMSXFQQHUAK-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172862348 1050198468 /nfs/dbraw/zinc/19/84/68/1050198468.db2.gz QMQCUWMKLLMGBB-GFCCVEGCSA-N 1 0 349.833 4.270 20 10 EICDRO Clc1cccc(OCC[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC001177411767 1050207167 /nfs/dbraw/zinc/20/71/67/1050207167.db2.gz RGPDYCWZCSCTSH-UHFFFAOYSA-N 1 0 344.886 4.499 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774983023 1050254783 /nfs/dbraw/zinc/25/47/83/1050254783.db2.gz NAGKIVWXVHARFD-UHFFFAOYSA-N 1 0 349.253 4.054 20 10 EICDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001177624785 1050269073 /nfs/dbraw/zinc/26/90/73/1050269073.db2.gz SYAGBYKYVHLAIQ-AWEZNQCLSA-N 1 0 334.257 4.266 20 10 EICDRO CCO[C@@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CCCC1 ZINC001177972259 1050333824 /nfs/dbraw/zinc/33/38/24/1050333824.db2.gz FZPWGSTUVPMMQY-NJRZHNRPSA-N 1 0 330.516 4.341 20 10 EICDRO COc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1C ZINC001173197228 1050343682 /nfs/dbraw/zinc/34/36/82/1050343682.db2.gz ASRANHQUSUFGQU-UHFFFAOYSA-N 1 0 325.452 4.483 20 10 EICDRO [NH3+][C@H]1CCc2c1cccc2NCc1cc(Cl)c2cccnc2c1O ZINC001168526254 1050413771 /nfs/dbraw/zinc/41/37/71/1050413771.db2.gz UREJTWCVHRYRQW-INIZCTEOSA-N 1 0 339.826 4.152 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1C ZINC001178231286 1050419850 /nfs/dbraw/zinc/41/98/50/1050419850.db2.gz AGUUQWAACAYYNZ-QGZVFWFLSA-N 1 0 349.478 4.219 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC001178369515 1050446582 /nfs/dbraw/zinc/44/65/82/1050446582.db2.gz LFAIFMPNHZIUMY-IIBYNOLFSA-N 1 0 344.474 4.274 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC001178369661 1050446668 /nfs/dbraw/zinc/44/66/68/1050446668.db2.gz MWRLOQHFAVUXJD-SJORKVTESA-N 1 0 346.437 4.104 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000773755650 1050513576 /nfs/dbraw/zinc/51/35/76/1050513576.db2.gz UYGVUJGOFWMUTB-OAQYLSRUSA-N 1 0 338.495 4.181 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001178723984 1050531829 /nfs/dbraw/zinc/53/18/29/1050531829.db2.gz RCPLWKPUZOLDMR-MXVIHJGJSA-N 1 0 336.479 4.331 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC001178824067 1050563907 /nfs/dbraw/zinc/56/39/07/1050563907.db2.gz RMUPXXQKVDEKNH-ZDUSSCGKSA-N 1 0 337.305 4.328 20 10 EICDRO CCN(C)c1ccc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000773799911 1050627217 /nfs/dbraw/zinc/62/72/17/1050627217.db2.gz RGJHHYUVMCLRRS-UHFFFAOYSA-N 1 0 334.467 4.165 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](CC)Cc2ccc(F)cc2)ccc1OC ZINC001179129198 1050636564 /nfs/dbraw/zinc/63/65/64/1050636564.db2.gz NNOWGLJKFMHYDB-FQEVSTJZSA-N 1 0 345.458 4.482 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)cc1 ZINC001179222343 1050651953 /nfs/dbraw/zinc/65/19/53/1050651953.db2.gz HCQZWAOVPGSFJY-OAQYLSRUSA-N 1 0 342.483 4.019 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000773811483 1050667105 /nfs/dbraw/zinc/66/71/05/1050667105.db2.gz NTSSPXGIUVEIGT-HNNXBMFYSA-N 1 0 327.428 4.210 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCC(C)C)c1 ZINC000182464317 1050688077 /nfs/dbraw/zinc/68/80/77/1050688077.db2.gz SAXCYDZCSSLYJM-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c(Cl)c1 ZINC001179652751 1050737392 /nfs/dbraw/zinc/73/73/92/1050737392.db2.gz ZDUPHLJAUXODRO-LJQANCHMSA-N 1 0 331.843 4.150 20 10 EICDRO CCOc1ccc(CC[NH2+]Cc2ccc(N(CC)CC)cc2)cc1 ZINC001179722165 1050762159 /nfs/dbraw/zinc/76/21/59/1050762159.db2.gz GNMGLEGFKHJRRC-UHFFFAOYSA-N 1 0 326.484 4.264 20 10 EICDRO CCOc1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC001179722499 1050762445 /nfs/dbraw/zinc/76/24/45/1050762445.db2.gz LQTUUTQXSAJPHI-UHFFFAOYSA-N 1 0 338.495 4.408 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCCOc2cccc(F)c2)cc1F ZINC001179751334 1050772441 /nfs/dbraw/zinc/77/24/41/1050772441.db2.gz NAJPXJMBOSEUBE-UHFFFAOYSA-N 1 0 348.437 4.370 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1O ZINC001179878249 1050815399 /nfs/dbraw/zinc/81/53/99/1050815399.db2.gz NQAMFEXPNHZZAE-APWZRJJASA-N 1 0 325.452 4.335 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c(O)c1 ZINC001180133348 1050884330 /nfs/dbraw/zinc/88/43/30/1050884330.db2.gz UVEZCLPALLBRMM-OAQYLSRUSA-N 1 0 325.452 4.263 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC001180174954 1050895841 /nfs/dbraw/zinc/89/58/41/1050895841.db2.gz PQHVDBIKRPUPSA-IXWARAEBSA-N 1 0 340.467 4.040 20 10 EICDRO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CC=CCC1 ZINC001180310322 1050947780 /nfs/dbraw/zinc/94/77/80/1050947780.db2.gz DDOZCUPLNLFLGO-LLVKDONJSA-N 1 0 328.225 4.082 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348887 1050961964 /nfs/dbraw/zinc/96/19/64/1050961964.db2.gz FJGHHOBGFROLPT-CRAIPNDOSA-N 1 0 344.886 4.046 20 10 EICDRO Cc1ccc([C@H](C)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001180429505 1050985868 /nfs/dbraw/zinc/98/58/68/1050985868.db2.gz BOGQKDNCHNBDFC-WIYYLYMNSA-N 1 0 339.479 4.485 20 10 EICDRO COc1ccccc1C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001180558790 1051033548 /nfs/dbraw/zinc/03/35/48/1051033548.db2.gz UPPXOAMOCXSRGW-VOTSOKGWSA-N 1 0 336.479 4.439 20 10 EICDRO COc1ccc(F)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001180558072 1051033732 /nfs/dbraw/zinc/03/37/32/1051033732.db2.gz JDJXXTZQJHSLJV-UHFFFAOYSA-N 1 0 328.431 4.065 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c1O ZINC001180593034 1051047887 /nfs/dbraw/zinc/04/78/87/1051047887.db2.gz JAOJTLSNXRPRQZ-OAQYLSRUSA-N 1 0 325.452 4.306 20 10 EICDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000780726152 1051053994 /nfs/dbraw/zinc/05/39/94/1051053994.db2.gz XEXDTOCHWRNNIR-HNNXBMFYSA-N 1 0 329.463 4.480 20 10 EICDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001180706987 1051068289 /nfs/dbraw/zinc/06/82/89/1051068289.db2.gz CPPIQCGACDQCNL-GZBFAFLISA-N 1 0 346.446 4.018 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1Cl ZINC001180859575 1051096258 /nfs/dbraw/zinc/09/62/58/1051096258.db2.gz YWSJUORBFDWNLR-UHFFFAOYSA-N 1 0 325.880 4.427 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000775366435 1051138055 /nfs/dbraw/zinc/13/80/55/1051138055.db2.gz SYUXUBVWEMKWOA-SFHVURJKSA-N 1 0 330.859 4.410 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000775366434 1051138506 /nfs/dbraw/zinc/13/85/06/1051138506.db2.gz SYUXUBVWEMKWOA-GOSISDBHSA-N 1 0 330.859 4.410 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccc(Cl)cc2)c1 ZINC000775372142 1051142083 /nfs/dbraw/zinc/14/20/83/1051142083.db2.gz YWGYVABHCFGIOX-CYBMUJFWSA-N 1 0 335.831 4.174 20 10 EICDRO CC(C)Oc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001190436254 1051185352 /nfs/dbraw/zinc/18/53/52/1051185352.db2.gz CBNDNNIFFWVHTJ-UHFFFAOYSA-N 1 0 341.499 4.345 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c(O)c1 ZINC001181390508 1051223397 /nfs/dbraw/zinc/22/33/97/1051223397.db2.gz CFLQVPINDWVNPI-UHFFFAOYSA-N 1 0 338.382 4.317 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)c1O ZINC001181485023 1051244951 /nfs/dbraw/zinc/24/49/51/1051244951.db2.gz HHPKZENRXZZCGL-HNNXBMFYSA-N 1 0 334.419 4.314 20 10 EICDRO CCN1CC[C@@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773431212 1051258527 /nfs/dbraw/zinc/25/85/27/1051258527.db2.gz MHKKZFPQDHOPAM-IEBWSBKVSA-N 1 0 348.849 4.110 20 10 EICDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC001181763253 1051299924 /nfs/dbraw/zinc/29/99/24/1051299924.db2.gz GPBMSFTUZPAMIG-KRWDZBQOSA-N 1 0 340.250 4.005 20 10 EICDRO COC1CCN(c2ccc(C[NH+]3CCC(C(C)C)CC3)cc2)CC1 ZINC001191013011 1051325437 /nfs/dbraw/zinc/32/54/37/1051325437.db2.gz FGYRGBYLQNSUNY-UHFFFAOYSA-N 1 0 330.516 4.170 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC001191078068 1051345623 /nfs/dbraw/zinc/34/56/23/1051345623.db2.gz PTCLBLLLOSTNMI-ZWCUEREDSA-N 1 0 342.527 4.455 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Cl)ccc1O ZINC000775483071 1051550818 /nfs/dbraw/zinc/55/08/18/1051550818.db2.gz JMWJJWKEIVYDOK-LSDHHAIUSA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1O ZINC000271754369 1051552912 /nfs/dbraw/zinc/55/29/12/1051552912.db2.gz YKDUEQMVXSVHPB-LBPRGKRZSA-N 1 0 326.259 4.457 20 10 EICDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774356853 1051575258 /nfs/dbraw/zinc/57/52/58/1051575258.db2.gz XPRUIJAZHBMZAG-LLVKDONJSA-N 1 0 331.287 4.082 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)c1ccccc1O ZINC001175419120 1051581578 /nfs/dbraw/zinc/58/15/78/1051581578.db2.gz RZJWHNLIDMJOJE-CABCVRRESA-N 1 0 334.419 4.223 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc2c(cc1O)CCCC2 ZINC000774446873 1051594417 /nfs/dbraw/zinc/59/44/17/1051594417.db2.gz UWYDZURXQWFDCU-OAHLLOKOSA-N 1 0 336.479 4.396 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1O ZINC000775496243 1051599955 /nfs/dbraw/zinc/59/99/55/1051599955.db2.gz IGCFTXMFQUDJPP-DFQSSKMNSA-N 1 0 329.415 4.492 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cc(Cl)ccc1O ZINC000775493317 1051603715 /nfs/dbraw/zinc/60/37/15/1051603715.db2.gz XJYXJQDVFWBFKS-GOSISDBHSA-N 1 0 349.858 4.312 20 10 EICDRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478218 1051608480 /nfs/dbraw/zinc/60/84/80/1051608480.db2.gz BQSPUAWRFZRWIU-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Cl)ccc1O ZINC000775500056 1051622818 /nfs/dbraw/zinc/62/28/18/1051622818.db2.gz NINKAEWRXWHXMP-KRWDZBQOSA-N 1 0 346.858 4.470 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1O ZINC000775507942 1051647350 /nfs/dbraw/zinc/64/73/50/1051647350.db2.gz PTIOUWBTUBZLDK-APWZRJJASA-N 1 0 328.431 4.241 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775509663 1051652812 /nfs/dbraw/zinc/65/28/12/1051652812.db2.gz OEOMWOAZSOTJRT-QAPCUYQASA-N 1 0 333.859 4.253 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775509662 1051654037 /nfs/dbraw/zinc/65/40/37/1051654037.db2.gz OEOMWOAZSOTJRT-MAUKXSAKSA-N 1 0 333.859 4.253 20 10 EICDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001182683942 1051671900 /nfs/dbraw/zinc/67/19/00/1051671900.db2.gz IORQYNIRLIMMGR-XJKSGUPXSA-N 1 0 339.863 4.037 20 10 EICDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC001182683940 1051672096 /nfs/dbraw/zinc/67/20/96/1051672096.db2.gz IORQYNIRLIMMGR-CZUORRHYSA-N 1 0 339.863 4.037 20 10 EICDRO CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775519119 1051683040 /nfs/dbraw/zinc/68/30/40/1051683040.db2.gz IOICFZJSXJLADM-GOSISDBHSA-N 1 0 349.858 4.312 20 10 EICDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O ZINC000775524707 1051710413 /nfs/dbraw/zinc/71/04/13/1051710413.db2.gz GSDNYTLSXLQVOT-INIZCTEOSA-N 1 0 334.803 4.237 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccccc1O ZINC000775526328 1051712768 /nfs/dbraw/zinc/71/27/68/1051712768.db2.gz QSBMUJODRTXUDX-ADLFWFRXSA-N 1 0 329.440 4.218 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000775526904 1051716043 /nfs/dbraw/zinc/71/60/43/1051716043.db2.gz NLZJLBLULFKNCQ-WBVHZDCISA-N 1 0 340.250 4.473 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCc3cccc(C)c3)C2)cc1 ZINC001182854027 1051724052 /nfs/dbraw/zinc/72/40/52/1051724052.db2.gz FFKHUNBOFQNKNV-AZUAARDMSA-N 1 0 338.495 4.193 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000775532425 1051750436 /nfs/dbraw/zinc/75/04/36/1051750436.db2.gz ULCAQVMAGQQVJO-WPGHFRTFSA-N 1 0 342.277 4.011 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1O ZINC000763643838 1051750595 /nfs/dbraw/zinc/75/05/95/1051750595.db2.gz WWCXMZORCRDXEM-UHFFFAOYSA-N 1 0 341.879 4.128 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(C(C)C)ccc2O)C2CC2)cn1 ZINC001183189486 1051804271 /nfs/dbraw/zinc/80/42/71/1051804271.db2.gz UPUMQTXVFAQMRJ-HXUWFJFHSA-N 1 0 326.440 4.160 20 10 EICDRO CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1O ZINC000775555850 1051839674 /nfs/dbraw/zinc/83/96/74/1051839674.db2.gz RFWUAGZZXGJYCJ-OAHLLOKOSA-N 1 0 329.831 4.173 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000775565793 1051858956 /nfs/dbraw/zinc/85/89/56/1051858956.db2.gz OORLAAKFXFZVIZ-UHFFFAOYSA-N 1 0 336.479 4.029 20 10 EICDRO CSCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001184188600 1051960866 /nfs/dbraw/zinc/96/08/66/1051960866.db2.gz NDAOCRJJRIYFNE-UHFFFAOYSA-N 1 0 331.481 4.202 20 10 EICDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC001184265624 1051981399 /nfs/dbraw/zinc/98/13/99/1051981399.db2.gz UCLIDKRZJGETFW-KSSFIOAISA-N 1 0 336.907 4.178 20 10 EICDRO CCCC[N@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC001193837912 1051997306 /nfs/dbraw/zinc/99/73/06/1051997306.db2.gz AWWAMTPHTFWSNG-UHFFFAOYSA-N 1 0 329.440 4.082 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC001176532865 1052114767 /nfs/dbraw/zinc/11/47/67/1052114767.db2.gz NPBBFYMPWUTBNM-JBYIUTFZSA-N 1 0 338.495 4.493 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)ccc1O ZINC000184836106 1052246400 /nfs/dbraw/zinc/24/64/00/1052246400.db2.gz QGPIJMWJNWWJGA-CJNGLKHVSA-N 1 0 334.460 4.081 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1OC ZINC000184840325 1052246839 /nfs/dbraw/zinc/24/68/39/1052246839.db2.gz RKFZXOWBSICYKO-AWEZNQCLSA-N 1 0 341.451 4.139 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1[O-] ZINC000184905450 1052301893 /nfs/dbraw/zinc/30/18/93/1052301893.db2.gz QRHSVCMHDSGVPP-INIZCTEOSA-N 1 0 342.458 4.368 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000184944660 1052330593 /nfs/dbraw/zinc/33/05/93/1052330593.db2.gz UECYBRDNEVVYBT-BFUOFWGJSA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)c(O)c1 ZINC000185006542 1052359248 /nfs/dbraw/zinc/35/92/48/1052359248.db2.gz IKFRYMWBINCNNP-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000185027567 1052366625 /nfs/dbraw/zinc/36/66/25/1052366625.db2.gz GZULXDALFJCCNA-OAHLLOKOSA-N 1 0 348.446 4.146 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cc(F)ccc1O ZINC000185047809 1052378094 /nfs/dbraw/zinc/37/80/94/1052378094.db2.gz FQLVEHWSVJEVOE-OAHLLOKOSA-N 1 0 343.446 4.013 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000185169682 1052508365 /nfs/dbraw/zinc/50/83/65/1052508365.db2.gz VWOMAUCHRFBXSA-OAHLLOKOSA-N 1 0 326.465 4.156 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc2c(cc1O)CCCC2 ZINC000185229072 1052544791 /nfs/dbraw/zinc/54/47/91/1052544791.db2.gz HOTCKMUHNAKNLD-MRXNPFEDSA-N 1 0 347.462 4.308 20 10 EICDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185837160 1052778240 /nfs/dbraw/zinc/77/82/40/1052778240.db2.gz DZUDRXPQVUXSMT-BIENJYKASA-N 1 0 329.440 4.027 20 10 EICDRO COc1cc(CNc2cccc(C[NH+](C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850053506 1053064463 /nfs/dbraw/zinc/06/44/63/1053064463.db2.gz JWRRGYOQWWMQLP-UHFFFAOYSA-N 1 0 342.483 4.372 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000850195530 1053084701 /nfs/dbraw/zinc/08/47/01/1053084701.db2.gz DLASEFCVSISESN-ZDUSSCGKSA-N 1 0 327.415 4.366 20 10 EICDRO COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850246528 1053098145 /nfs/dbraw/zinc/09/81/45/1053098145.db2.gz RXUMTTHKCYUSTK-LBPRGKRZSA-N 1 0 348.512 4.357 20 10 EICDRO COc1cc(C[NH2+]Cc2noc3ccccc23)c(O)c(C(C)(C)C)c1 ZINC000850339172 1053119627 /nfs/dbraw/zinc/11/96/27/1053119627.db2.gz LNORQLBDEKZBPJ-UHFFFAOYSA-N 1 0 340.423 4.129 20 10 EICDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862764 1053129282 /nfs/dbraw/zinc/12/92/82/1053129282.db2.gz DYUZZHVSFNAZIM-NHCUHLMSSA-N 1 0 342.527 4.375 20 10 EICDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406802 1053175783 /nfs/dbraw/zinc/17/57/83/1053175783.db2.gz UOQZMWVKVLUVIK-IEBWSBKVSA-N 1 0 330.516 4.096 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)cc1 ZINC000764577057 1053204862 /nfs/dbraw/zinc/20/48/62/1053204862.db2.gz ZRRUOQDOCDHJPL-CRAIPNDOSA-N 1 0 331.529 4.158 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)cc1 ZINC000764577067 1053205356 /nfs/dbraw/zinc/20/53/56/1053205356.db2.gz ZRRUOQDOCDHJPL-QAPCUYQASA-N 1 0 331.529 4.158 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850430953 1053205956 /nfs/dbraw/zinc/20/59/56/1053205956.db2.gz ROOYJNVXQZXHRB-CQSZACIVSA-N 1 0 328.431 4.068 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3nccc4ccccc43)C2)cc1 ZINC000850488545 1053256973 /nfs/dbraw/zinc/25/69/73/1053256973.db2.gz TXQANXQJKUHIDN-AEFFLSMTSA-N 1 0 347.462 4.173 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1O ZINC000850499941 1053259458 /nfs/dbraw/zinc/25/94/58/1053259458.db2.gz AROJGUHFXOXYJQ-QGZVFWFLSA-N 1 0 345.874 4.282 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cc(Cl)ccc1O ZINC000850499940 1053262008 /nfs/dbraw/zinc/26/20/08/1053262008.db2.gz AROJGUHFXOXYJQ-KRWDZBQOSA-N 1 0 345.874 4.282 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)c1cccc(OC)c1 ZINC000850513008 1053268601 /nfs/dbraw/zinc/26/86/01/1053268601.db2.gz CFBLQAVSAGRIRJ-SCLBCKFNSA-N 1 0 349.858 4.401 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)c1cccc(OC)c1 ZINC000850512960 1053269681 /nfs/dbraw/zinc/26/96/81/1053269681.db2.gz CFBLQAVSAGRIRJ-ACJLOTCBSA-N 1 0 349.858 4.401 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000764718113 1053278997 /nfs/dbraw/zinc/27/89/97/1053278997.db2.gz UJICUZNOJKRTSZ-MRXNPFEDSA-N 1 0 336.483 4.029 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000850539761 1053300425 /nfs/dbraw/zinc/30/04/25/1053300425.db2.gz GBNXMLFSKBYHOU-JOQOYGCGSA-N 1 0 347.890 4.150 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc2ccccc2c1O ZINC000850540550 1053302468 /nfs/dbraw/zinc/30/24/68/1053302468.db2.gz MOCQQKNIKABDHC-UQASEVPWSA-N 1 0 349.478 4.341 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1O ZINC000850543275 1053304944 /nfs/dbraw/zinc/30/49/44/1053304944.db2.gz HDPBPQQXAWWXGK-QLJPJBMISA-N 1 0 348.240 4.198 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1O ZINC000850545140 1053305208 /nfs/dbraw/zinc/30/52/08/1053305208.db2.gz FDKCNNSFIQBWKM-XKQJLSEDSA-N 1 0 333.472 4.178 20 10 EICDRO COc1ccc(C[N@H+](Cc2cc(OC)ccc2O)[C@@H](C)C2CC2)cc1 ZINC000775644356 1053311748 /nfs/dbraw/zinc/31/17/48/1053311748.db2.gz IWNNZOATIFCOQE-HNNXBMFYSA-N 1 0 341.451 4.210 20 10 EICDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567490 1053321969 /nfs/dbraw/zinc/32/19/69/1053321969.db2.gz DDXRBYVUYBWNCO-RXVVDRJESA-N 1 0 330.516 4.096 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850570281 1053325879 /nfs/dbraw/zinc/32/58/79/1053325879.db2.gz SZZFJKYZMOICIC-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584524 1053334684 /nfs/dbraw/zinc/33/46/84/1053334684.db2.gz QWHBIDRJBZAIST-SPEDKVCISA-N 1 0 338.495 4.450 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1O ZINC000794795022 1053379848 /nfs/dbraw/zinc/37/98/48/1053379848.db2.gz OAWGBVCHZKOGAS-RTBURBONSA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1O ZINC000794794798 1053380300 /nfs/dbraw/zinc/38/03/00/1053380300.db2.gz GFPGWZGWBRPVTB-RTBURBONSA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1O ZINC000794801655 1053383533 /nfs/dbraw/zinc/38/35/33/1053383533.db2.gz ARKMPTRRGNEVNM-MRXNPFEDSA-N 1 0 332.831 4.033 20 10 EICDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000764978233 1053394860 /nfs/dbraw/zinc/39/48/60/1053394860.db2.gz UJJDQHMDJYDUJH-IERDGZPVSA-N 1 0 339.435 4.170 20 10 EICDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000764978232 1053395993 /nfs/dbraw/zinc/39/59/93/1053395993.db2.gz UJJDQHMDJYDUJH-HRAATJIYSA-N 1 0 339.435 4.170 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C)cc1O ZINC000794807895 1053417424 /nfs/dbraw/zinc/41/74/24/1053417424.db2.gz MVRBPZLJHXTZCW-HXUWFJFHSA-N 1 0 326.484 4.393 20 10 EICDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1O ZINC000794813181 1053419918 /nfs/dbraw/zinc/41/99/18/1053419918.db2.gz NYVRCSBHRWCMKM-INIZCTEOSA-N 1 0 325.408 4.159 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000765038289 1053420804 /nfs/dbraw/zinc/42/08/04/1053420804.db2.gz RJOIQXZOOMSCID-GJZGRUSLSA-N 1 0 337.467 4.049 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1O ZINC000794816986 1053429524 /nfs/dbraw/zinc/42/95/24/1053429524.db2.gz SGXCOFMXQBDNIF-OALUTQOASA-N 1 0 344.499 4.065 20 10 EICDRO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775664120 1053436430 /nfs/dbraw/zinc/43/64/30/1053436430.db2.gz SHGCOOUVAAHHHO-LJQANCHMSA-N 1 0 335.451 4.315 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000794822821 1053438210 /nfs/dbraw/zinc/43/82/10/1053438210.db2.gz CNRRDABQXYXPKL-IEBWSBKVSA-N 1 0 327.468 4.389 20 10 EICDRO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(N2CCCCCC2)cc1 ZINC000794827104 1053440128 /nfs/dbraw/zinc/44/01/28/1053440128.db2.gz FXDUJPRVRHVXAR-INIZCTEOSA-N 1 0 327.447 4.452 20 10 EICDRO CCC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000794832469 1053443842 /nfs/dbraw/zinc/44/38/42/1053443842.db2.gz SLEHMTOJLASYHO-CZAAIQMYSA-N 1 0 326.484 4.306 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000109871475 1053451196 /nfs/dbraw/zinc/45/11/96/1053451196.db2.gz COXRXBOZSRPBAP-INIZCTEOSA-N 1 0 332.241 4.322 20 10 EICDRO Cc1cccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000775667487 1053458337 /nfs/dbraw/zinc/45/83/37/1053458337.db2.gz JETCMEMDOFYQQK-TZIWHRDSSA-N 1 0 325.452 4.300 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2OC(C)C)cc1 ZINC001195789971 1053487230 /nfs/dbraw/zinc/48/72/30/1053487230.db2.gz ORFSGBIRIQOZSD-UHFFFAOYSA-N 1 0 342.483 4.051 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1F ZINC000765285638 1053492858 /nfs/dbraw/zinc/49/28/58/1053492858.db2.gz MAECZIJDUZVAOE-QGZVFWFLSA-N 1 0 346.421 4.423 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000765300558 1053496339 /nfs/dbraw/zinc/49/63/39/1053496339.db2.gz ODNSHELVGRPICI-LSDHHAIUSA-N 1 0 348.487 4.444 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000765300556 1053496804 /nfs/dbraw/zinc/49/68/04/1053496804.db2.gz ODNSHELVGRPICI-HUUCEWRRSA-N 1 0 348.487 4.444 20 10 EICDRO COc1cc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC000851880403 1053528098 /nfs/dbraw/zinc/52/80/98/1053528098.db2.gz XXMBDTNYXQJHGB-HNNXBMFYSA-N 1 0 338.407 4.152 20 10 EICDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765384023 1053529393 /nfs/dbraw/zinc/52/93/93/1053529393.db2.gz BPYGLQDSWXGLOC-GOSISDBHSA-N 1 0 345.874 4.085 20 10 EICDRO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000765395347 1053529566 /nfs/dbraw/zinc/52/95/66/1053529566.db2.gz HICWQGMMZGVLSV-SFHVURJKSA-N 1 0 348.494 4.377 20 10 EICDRO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000765400925 1053534275 /nfs/dbraw/zinc/53/42/75/1053534275.db2.gz AXZMDXFGBHJLBC-IBGZPJMESA-N 1 0 349.522 4.343 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000765422818 1053540106 /nfs/dbraw/zinc/54/01/06/1053540106.db2.gz CPYQEEULAMLDKI-LSDHHAIUSA-N 1 0 344.421 4.295 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1O ZINC000797586333 1053541194 /nfs/dbraw/zinc/54/11/94/1053541194.db2.gz YXFVJRYADBVRRN-NXEZZACHSA-N 1 0 334.204 4.241 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000765443131 1053552997 /nfs/dbraw/zinc/55/29/97/1053552997.db2.gz ZVCFECRKMKLCSD-UTKZUKDTSA-N 1 0 325.500 4.015 20 10 EICDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765443020 1053553632 /nfs/dbraw/zinc/55/36/32/1053553632.db2.gz UTJXEXZBPVAWRJ-MSOLQXFVSA-N 1 0 338.499 4.139 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCO2 ZINC000765476593 1053562156 /nfs/dbraw/zinc/56/21/56/1053562156.db2.gz YEIDMNFIMWLWRL-SFHVURJKSA-N 1 0 328.431 4.068 20 10 EICDRO c1ccc(CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccn2)cc1 ZINC000865664566 1053568611 /nfs/dbraw/zinc/56/86/11/1053568611.db2.gz KQJKZBLXWTXVND-JOCHJYFZSA-N 1 0 344.458 4.480 20 10 EICDRO COc1ccccc1C1([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902076 1053627773 /nfs/dbraw/zinc/62/77/73/1053627773.db2.gz LVWLHBMUAWQVIB-DOMZBBRYSA-N 1 0 327.399 4.367 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000853094076 1053642885 /nfs/dbraw/zinc/64/28/85/1053642885.db2.gz XJICREHHSFLCJS-UHFFFAOYSA-N 1 0 348.494 4.219 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cnccc2C(F)(F)F)c(Cl)c1 ZINC000853095045 1053645082 /nfs/dbraw/zinc/64/50/82/1053645082.db2.gz GHYGGIWTIFVYHC-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)cc1OC ZINC000775714438 1053657463 /nfs/dbraw/zinc/65/74/63/1053657463.db2.gz OVLVYCGYWZIGQE-INIZCTEOSA-N 1 0 345.439 4.428 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000853243172 1053660235 /nfs/dbraw/zinc/66/02/35/1053660235.db2.gz YMPINNHYTLUHCR-CYBMUJFWSA-N 1 0 337.389 4.407 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000866508517 1053757184 /nfs/dbraw/zinc/75/71/84/1053757184.db2.gz NRNOQFZDVPUCIB-XJKSGUPXSA-N 1 0 345.439 4.220 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc2ccccc2c1O ZINC000866530231 1053770385 /nfs/dbraw/zinc/77/03/85/1053770385.db2.gz ZGOJBYYTMCVXOD-DOTOQJQBSA-N 1 0 325.452 4.403 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1O ZINC000854225893 1053784431 /nfs/dbraw/zinc/78/44/31/1053784431.db2.gz MKOFOEDEWOCLJM-MGPLVRAMSA-N 1 0 347.256 4.075 20 10 EICDRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000765607341 1053798312 /nfs/dbraw/zinc/79/83/12/1053798312.db2.gz ATNYIBZCEFZEQU-QGZVFWFLSA-N 1 0 349.352 4.297 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1SC ZINC000765607895 1053803364 /nfs/dbraw/zinc/80/33/64/1053803364.db2.gz FIXXQXODYSAUMY-CYBMUJFWSA-N 1 0 329.465 4.203 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](Cc2cccnc2)C2CCCC2)c1O ZINC000866611208 1053803833 /nfs/dbraw/zinc/80/38/33/1053803833.db2.gz ZRNGKRSRZZSQGD-BEFAXECRSA-N 1 0 340.467 4.248 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1sccc1Br ZINC000765609966 1053803979 /nfs/dbraw/zinc/80/39/79/1053803979.db2.gz SDXXXFLOTIXYJB-SNVBAGLBSA-N 1 0 338.270 4.296 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633364 1053812641 /nfs/dbraw/zinc/81/26/41/1053812641.db2.gz UFQUTADXFICDCB-QAPCUYQASA-N 1 0 342.462 4.198 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000113317887 1053916834 /nfs/dbraw/zinc/91/68/34/1053916834.db2.gz USYWMRPGNLEWSM-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccsc3)CC2)c1O ZINC000776886024 1054070437 /nfs/dbraw/zinc/07/04/37/1054070437.db2.gz AQRCIHWCYNIHAG-UHFFFAOYSA-N 1 0 333.428 4.175 20 10 EICDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775832300 1054104179 /nfs/dbraw/zinc/10/41/79/1054104179.db2.gz YGHBXVFTEBHJGB-JTQLQIEISA-N 1 0 343.418 4.387 20 10 EICDRO COc1ccc(F)c(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000856804731 1054112679 /nfs/dbraw/zinc/11/26/79/1054112679.db2.gz QGGVNJRBWCNCPR-UHFFFAOYSA-N 1 0 347.430 4.136 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1O ZINC000123731380 1054246098 /nfs/dbraw/zinc/24/60/98/1054246098.db2.gz LVRRIWKXBUNUDD-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO CC(C)[C@H](CNCc1ccc2c(c1)CCCO2)[NH+]1CCCCCC1 ZINC001199160652 1054354884 /nfs/dbraw/zinc/35/48/84/1054354884.db2.gz DKZZROBZAZWGBD-FQEVSTJZSA-N 1 0 330.516 4.002 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000186182708 1054377401 /nfs/dbraw/zinc/37/74/01/1054377401.db2.gz RHXVGCBTUPCRIZ-WBVHZDCISA-N 1 0 348.487 4.080 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000186182745 1054378804 /nfs/dbraw/zinc/37/88/04/1054378804.db2.gz RHXVGCBTUPCRIZ-RDJZCZTQSA-N 1 0 348.487 4.080 20 10 EICDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000872113736 1054394763 /nfs/dbraw/zinc/39/47/63/1054394763.db2.gz RXWBVUZPYGDGRF-PKOBYXMFSA-N 1 0 344.499 4.061 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000858138588 1054423494 /nfs/dbraw/zinc/42/34/94/1054423494.db2.gz FRHPHQSAMHKFKL-UHFFFAOYSA-N 1 0 328.403 4.431 20 10 EICDRO CC[N@H+](Cc1c[nH]c2c1cccc2F)Cc1ccc(N(C)C)cc1 ZINC001137059369 1054442435 /nfs/dbraw/zinc/44/24/35/1054442435.db2.gz YMYGLLPXVQWQBQ-UHFFFAOYSA-N 1 0 325.431 4.395 20 10 EICDRO C[C@@H](c1ccccc1)[N@H+](CCOCC1CC1)Cc1ccccc1O ZINC000776008525 1054443087 /nfs/dbraw/zinc/44/30/87/1054443087.db2.gz HIOQKKXUNSUGJN-KRWDZBQOSA-N 1 0 325.452 4.382 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2C)C2CC2)c1O ZINC000776020892 1054459962 /nfs/dbraw/zinc/45/99/62/1054459962.db2.gz BFJKOWVNCJRSOP-IBGZPJMESA-N 1 0 327.399 4.283 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cccc(NC(C)=O)c2)cc1C ZINC000873011973 1054476592 /nfs/dbraw/zinc/47/65/92/1054476592.db2.gz MFEDMHZOCWZKBX-UHFFFAOYSA-N 1 0 326.440 4.032 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000124375134 1054482617 /nfs/dbraw/zinc/48/26/17/1054482617.db2.gz RZBVAORWPFZOEI-AVYPCKFXSA-N 1 0 330.447 4.055 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC001199916498 1054494321 /nfs/dbraw/zinc/49/43/21/1054494321.db2.gz DFRSVODNJSWQNA-ARJAWSKDSA-N 1 0 337.442 4.219 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000873187945 1054506161 /nfs/dbraw/zinc/50/61/61/1054506161.db2.gz DFJRGUDALOMZEI-QGZVFWFLSA-N 1 0 326.488 4.262 20 10 EICDRO Cc1cc(CN[C@@H](C)c2cc3n(n2)CCC3)c(C)n1-c1cccc(C)c1 ZINC000858541516 1054512629 /nfs/dbraw/zinc/51/26/29/1054512629.db2.gz AXGKTQCWOGAECK-KRWDZBQOSA-N 1 0 348.494 4.396 20 10 EICDRO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCC2)cc1 ZINC000105430862 1054519786 /nfs/dbraw/zinc/51/97/86/1054519786.db2.gz JBGKMWZXYDOJNL-JOCHJYFZSA-N 1 0 336.479 4.154 20 10 EICDRO C[C@@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000858574439 1054521738 /nfs/dbraw/zinc/52/17/38/1054521738.db2.gz KRVWZXIGDAFGFJ-BZNIZROVSA-N 1 0 340.250 4.473 20 10 EICDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825691762 1054588970 /nfs/dbraw/zinc/58/89/70/1054588970.db2.gz BBLNXACWFQMGIR-SECBINFHSA-N 1 0 340.183 4.365 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 ZINC000124888825 1054634729 /nfs/dbraw/zinc/63/47/29/1054634729.db2.gz XTBNUNBKSSYYEI-IERDGZPVSA-N 1 0 342.458 4.200 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000825715953 1054638530 /nfs/dbraw/zinc/63/85/30/1054638530.db2.gz KULLQLCVLDUXBV-SFHVURJKSA-N 1 0 333.859 4.203 20 10 EICDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000776166730 1054793918 /nfs/dbraw/zinc/79/39/18/1054793918.db2.gz DNEKPPAJZXDJAT-FXAWDEMLSA-N 1 0 330.516 4.125 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000776174802 1054802633 /nfs/dbraw/zinc/80/26/33/1054802633.db2.gz GRXZUXJQNNUYEC-HNNXBMFYSA-N 1 0 346.641 4.176 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000776174005 1054803893 /nfs/dbraw/zinc/80/38/93/1054803893.db2.gz WFQMQXZGZYJJKP-NRFANRHFSA-N 1 0 349.430 4.311 20 10 EICDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1OC ZINC001201618785 1054866548 /nfs/dbraw/zinc/86/65/48/1054866548.db2.gz VPZYARLLHLCQIL-PMACEKPBSA-N 1 0 330.516 4.360 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1C ZINC001201786222 1054918610 /nfs/dbraw/zinc/91/86/10/1054918610.db2.gz GRROKRQLRQGGJQ-RDJZCZTQSA-N 1 0 333.497 4.447 20 10 EICDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001201786884 1054920601 /nfs/dbraw/zinc/92/06/01/1054920601.db2.gz OTCLKACGTXDYQS-IERDGZPVSA-N 1 0 342.458 4.028 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)c(Cl)c1 ZINC001201788149 1054920770 /nfs/dbraw/zinc/92/07/70/1054920770.db2.gz VWMPWTVBVDZNNE-PXAZEXFGSA-N 1 0 337.822 4.095 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001201832626 1054927154 /nfs/dbraw/zinc/92/71/54/1054927154.db2.gz CREOCPLZONRFMV-QAPCUYQASA-N 1 0 349.515 4.382 20 10 EICDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876583027 1054932711 /nfs/dbraw/zinc/93/27/11/1054932711.db2.gz FDMNCYSRXZMVQP-UHFFFAOYSA-N 1 0 344.524 4.120 20 10 EICDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OCC ZINC000876882356 1054978566 /nfs/dbraw/zinc/97/85/66/1054978566.db2.gz GUBVTZNBEFEEDC-OAHLLOKOSA-N 1 0 329.440 4.349 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(O)c1 ZINC000876969710 1054991520 /nfs/dbraw/zinc/99/15/20/1054991520.db2.gz XXTQHZZFBFABGE-CYBMUJFWSA-N 1 0 339.357 4.493 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000825939642 1055029729 /nfs/dbraw/zinc/02/97/29/1055029729.db2.gz FAXOCIBWDQCWQM-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1O ZINC000776253010 1055057829 /nfs/dbraw/zinc/05/78/29/1055057829.db2.gz IATIRIGORPDQOX-INIZCTEOSA-N 1 0 347.256 4.099 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cc1C ZINC000776256642 1055093149 /nfs/dbraw/zinc/09/31/49/1055093149.db2.gz DSRDTMPXOOPOEU-UHFFFAOYSA-N 1 0 341.451 4.254 20 10 EICDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001202251791 1055096035 /nfs/dbraw/zinc/09/60/35/1055096035.db2.gz SUROJCPLUSOGHW-CVEARBPZSA-N 1 0 331.460 4.111 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)CC2CCCCC2)cc1Cn1cccn1 ZINC001202258583 1055101489 /nfs/dbraw/zinc/10/14/89/1055101489.db2.gz GARLHTNKFNRPHL-KRWDZBQOSA-N 1 0 341.499 4.389 20 10 EICDRO Cc1ncc([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)s1 ZINC000877684955 1055107755 /nfs/dbraw/zinc/10/77/55/1055107755.db2.gz FTGUJZYEZBXVAX-VIFPVBQESA-N 1 0 341.274 4.079 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]CCCc2cccc(Cl)c2)cc1F ZINC001202233111 1055109588 /nfs/dbraw/zinc/10/95/88/1055109588.db2.gz GANXDZIBCPWOOM-UHFFFAOYSA-N 1 0 338.829 4.407 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OCC(C)C ZINC000877756529 1055113903 /nfs/dbraw/zinc/11/39/03/1055113903.db2.gz PNVWBYWUBPVWLS-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758077 1055116678 /nfs/dbraw/zinc/11/66/78/1055116678.db2.gz HXDGGQOUAOSQCE-PKOBYXMFSA-N 1 0 336.479 4.240 20 10 EICDRO CCc1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c1O ZINC000877806039 1055121993 /nfs/dbraw/zinc/12/19/93/1055121993.db2.gz CRPXYENBHYUXBY-UHFFFAOYSA-N 1 0 344.764 4.312 20 10 EICDRO CC1(C)CN(Cc2ccc(Br)cc2O)[C@@H]1c1ccncc1 ZINC000825998897 1055123655 /nfs/dbraw/zinc/12/36/55/1055123655.db2.gz XWAJPAVKKXRRCZ-MRXNPFEDSA-N 1 0 347.256 4.133 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000127214428 1055353084 /nfs/dbraw/zinc/35/30/84/1055353084.db2.gz FLNHFSKHCZKEME-MRXNPFEDSA-N 1 0 327.447 4.370 20 10 EICDRO Cc1ccc([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c(O)c1 ZINC000186343034 1055371167 /nfs/dbraw/zinc/37/11/67/1055371167.db2.gz UJGBNFCHOKPBTH-INIZCTEOSA-N 1 0 342.508 4.423 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000127308058 1055384050 /nfs/dbraw/zinc/38/40/50/1055384050.db2.gz DGRMCPFGWYUIDX-RDTXWAMCSA-N 1 0 326.440 4.283 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875243 1056040172 /nfs/dbraw/zinc/04/01/72/1056040172.db2.gz YRDKJZGUSKONEY-NQIIRXRSSA-N 1 0 341.543 4.202 20 10 EICDRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1OC ZINC000921744391 1056392600 /nfs/dbraw/zinc/39/26/00/1056392600.db2.gz UXLALDBCJGLQAK-CYBMUJFWSA-N 1 0 345.414 4.019 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2ccnc2)c1 ZINC000921800340 1056585076 /nfs/dbraw/zinc/58/50/76/1056585076.db2.gz WRYHFCRXTIZKBO-MRXNPFEDSA-N 1 0 333.435 4.048 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cc(F)ccc1O ZINC000186501723 1056744331 /nfs/dbraw/zinc/74/43/31/1056744331.db2.gz GMDBLEGNLGNEHM-HNNXBMFYSA-N 1 0 328.431 4.372 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000741256486 1058185550 /nfs/dbraw/zinc/18/55/50/1058185550.db2.gz NQRZMRGQGMGJQU-XUVXKRRUSA-N 1 0 330.516 4.216 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000741753111 1058360071 /nfs/dbraw/zinc/36/00/71/1058360071.db2.gz NMEKSVDBTAWFMN-UHFFFAOYSA-N 1 0 336.479 4.238 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC4(CCCCC4)C3)c2c1 ZINC000742166393 1058526305 /nfs/dbraw/zinc/52/63/05/1058526305.db2.gz UZQKQYFUKWMBHE-UHFFFAOYSA-N 1 0 341.451 4.089 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3CCC(C(C)C)CC3)CC2)cc1 ZINC000742369885 1058570133 /nfs/dbraw/zinc/57/01/33/1058570133.db2.gz ZMAWKSRSIBMQNQ-UHFFFAOYSA-N 1 0 330.516 4.468 20 10 EICDRO Clc1ccccc1N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000742373643 1058598500 /nfs/dbraw/zinc/59/85/00/1058598500.db2.gz QTRYPTOYXRYJTJ-KRWDZBQOSA-N 1 0 342.870 4.034 20 10 EICDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000742377715 1058603274 /nfs/dbraw/zinc/60/32/74/1058603274.db2.gz QMSGZUKVAUDWLC-GOSISDBHSA-N 1 0 336.838 4.022 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1ccccc1F ZINC000742381116 1058604342 /nfs/dbraw/zinc/60/43/42/1058604342.db2.gz PCAUWBOGHPXWDM-QGZVFWFLSA-N 1 0 342.458 4.373 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@H]3c3ccccc3)c2c1 ZINC000743401509 1058980302 /nfs/dbraw/zinc/98/03/02/1058980302.db2.gz BHWSUXZCGAMVAK-NRFANRHFSA-N 1 0 349.430 4.128 20 10 EICDRO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000743839571 1059140933 /nfs/dbraw/zinc/14/09/33/1059140933.db2.gz LXQCKKYCKMSGPY-QFIPXVFZSA-N 1 0 338.495 4.151 20 10 EICDRO CCC[N@H+](CCOc1ccc(SC)cc1)Cc1ccccc1O ZINC000743870698 1059188015 /nfs/dbraw/zinc/18/80/15/1059188015.db2.gz ZXUDKQCNZOOUIP-UHFFFAOYSA-N 1 0 331.481 4.405 20 10 EICDRO Cc1cc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445038 1059512555 /nfs/dbraw/zinc/51/25/55/1059512555.db2.gz SISKXPILLOWNAO-IUODEOHRSA-N 1 0 345.405 4.150 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000744449399 1059530831 /nfs/dbraw/zinc/53/08/31/1059530831.db2.gz VSZDVVQEVCOVIM-PIGZYNQJSA-N 1 0 340.250 4.219 20 10 EICDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000766331509 1059831451 /nfs/dbraw/zinc/83/14/51/1059831451.db2.gz RXZFQGJGAKMALA-GOEBONIOSA-N 1 0 341.451 4.180 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048886 1059985808 /nfs/dbraw/zinc/98/58/08/1059985808.db2.gz LHMLHUJNZIYTOF-IXDOHACOSA-N 1 0 342.458 4.290 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1 ZINC000766353605 1060302212 /nfs/dbraw/zinc/30/22/12/1060302212.db2.gz GKKQAVYJIFCESE-INIZCTEOSA-N 1 0 337.467 4.486 20 10 EICDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766368488 1060315920 /nfs/dbraw/zinc/31/59/20/1060315920.db2.gz IAHPAMRUHDFABH-KRWDZBQOSA-N 1 0 348.506 4.409 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766608758 1060661361 /nfs/dbraw/zinc/66/13/61/1060661361.db2.gz PVWFNTNDQVBCOU-CQSZACIVSA-N 1 0 331.410 4.201 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000691427711 1060942806 /nfs/dbraw/zinc/94/28/06/1060942806.db2.gz FURBGMCSAZZGHO-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CC[C@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1O ZINC000020139201 1054599098 /nfs/dbraw/zinc/59/90/98/1054599098.db2.gz NOSGFJJTRZURIH-ZDUSSCGKSA-N 1 0 326.259 4.457 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)cc1OC ZINC000529670684 1032522838 /nfs/dbraw/zinc/52/28/38/1032522838.db2.gz WJGUYSULGOSLNZ-HXUWFJFHSA-N 1 0 329.440 4.205 20 10 EICDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000799730290 1019209067 /nfs/dbraw/zinc/20/90/67/1019209067.db2.gz ZBZTZPMRBDPABN-UGFHNGPFSA-N 1 0 342.277 4.071 20 10 EICDRO c1cc2c(cccc2C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000236704528 1032826511 /nfs/dbraw/zinc/82/65/11/1032826511.db2.gz BIUCLPSCUBIQJD-UHFFFAOYSA-N 1 0 337.492 4.011 20 10 EICDRO CC1(C)Cc2cccc(C[NH2+]CCCSc3nccs3)c2O1 ZINC000236764540 1032830785 /nfs/dbraw/zinc/83/07/85/1032830785.db2.gz VGVWOIKDAFLPLF-UHFFFAOYSA-N 1 0 334.510 4.129 20 10 EICDRO Cc1noc(C)c1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000274925006 1019864258 /nfs/dbraw/zinc/86/42/58/1019864258.db2.gz JWIMHHSBVJOIBN-HXUWFJFHSA-N 1 0 336.435 4.461 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1O ZINC000155039668 1020200090 /nfs/dbraw/zinc/20/00/90/1020200090.db2.gz HREFDLPGZMKKEC-LJQANCHMSA-N 1 0 340.467 4.115 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000275154292 1020217933 /nfs/dbraw/zinc/21/79/33/1020217933.db2.gz XZZUKUBZLJQRLQ-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc1N(C)C ZINC001167122919 1020262119 /nfs/dbraw/zinc/26/21/19/1020262119.db2.gz MRJVNOIYCGNXBI-FQEVSTJZSA-N 1 0 326.459 4.407 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000155334512 1020500112 /nfs/dbraw/zinc/50/01/12/1020500112.db2.gz CJUBYAATFYJYQA-HNAYVOBHSA-N 1 0 338.451 4.321 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Br)cs2)c1 ZINC000071307732 1021075777 /nfs/dbraw/zinc/07/57/77/1021075777.db2.gz FCTNMHCUUAEBBU-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000310647551 1021385174 /nfs/dbraw/zinc/38/51/74/1021385174.db2.gz NWXWZZGPMYMXER-YWZLYKJASA-N 1 0 348.487 4.080 20 10 EICDRO C[C@@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000310647524 1021386672 /nfs/dbraw/zinc/38/66/72/1021386672.db2.gz NWXWZZGPMYMXER-FOIQADDNSA-N 1 0 348.487 4.080 20 10 EICDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(OC)c(C)cc1O)CCC2 ZINC000160425480 1021766198 /nfs/dbraw/zinc/76/61/98/1021766198.db2.gz RUZKBXCTFYOJCX-OAHLLOKOSA-N 1 0 346.496 4.238 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1nnc2n1CCCCC2)c1ccc(C)cc1O ZINC000279940466 1033008230 /nfs/dbraw/zinc/00/82/30/1033008230.db2.gz BFDWXUQYCIMNLW-SJORKVTESA-N 1 0 342.487 4.211 20 10 EICDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000178140933 1022024943 /nfs/dbraw/zinc/02/49/43/1022024943.db2.gz BGUMLMXRZLXVKT-INIZCTEOSA-N 1 0 340.515 4.348 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)c1 ZINC000180053351 1022423769 /nfs/dbraw/zinc/42/37/69/1022423769.db2.gz LZZPLWXDFWJAMY-UHFFFAOYSA-N 1 0 348.446 4.307 20 10 EICDRO Cc1cccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1O ZINC000181533073 1022668842 /nfs/dbraw/zinc/66/88/42/1022668842.db2.gz MRYVBKDZTCPADA-UHFFFAOYSA-N 1 0 329.415 4.021 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)cc1 ZINC000378407165 1022805765 /nfs/dbraw/zinc/80/57/65/1022805765.db2.gz WWAZQOAOQHYRRK-NNGSBXSVSA-N 1 0 342.487 4.211 20 10 EICDRO Cc1oc(-c2ccccc2)nc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000363858344 1022863997 /nfs/dbraw/zinc/86/39/97/1022863997.db2.gz DNZVSEPXKMYMGD-CYBMUJFWSA-N 1 0 340.398 4.388 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000706834350 1022886584 /nfs/dbraw/zinc/88/65/84/1022886584.db2.gz ZGVHTFUSGXNHJG-CYBMUJFWSA-N 1 0 338.270 4.383 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000185003223 1022989621 /nfs/dbraw/zinc/98/96/21/1022989621.db2.gz ZYNUBUWBWDYRLX-SFHVURJKSA-N 1 0 338.495 4.058 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000185157227 1023014262 /nfs/dbraw/zinc/01/42/62/1023014262.db2.gz YTONRFSRJHZMPU-HZPDHXFCSA-N 1 0 338.451 4.239 20 10 EICDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc2ccccc2c1O ZINC000185325606 1023032384 /nfs/dbraw/zinc/03/23/84/1023032384.db2.gz PAOHGWWOGZZBIT-INIZCTEOSA-N 1 0 335.451 4.483 20 10 EICDRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000181492172 1023222699 /nfs/dbraw/zinc/22/26/99/1023222699.db2.gz HCWSIBSQPZYACU-QGZVFWFLSA-N 1 0 341.474 4.494 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)c(O)c1OC ZINC000892757773 1023373936 /nfs/dbraw/zinc/37/39/36/1023373936.db2.gz LNCFMLQPPBKSLC-IBGZPJMESA-N 1 0 347.430 4.426 20 10 EICDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000707142126 1023492333 /nfs/dbraw/zinc/49/23/33/1023492333.db2.gz FZFLUCPSELXHRF-INIZCTEOSA-N 1 0 332.241 4.492 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@H+](C[C@H]1CCOC1)C1CC1)CCCC3 ZINC000123812133 1023666344 /nfs/dbraw/zinc/66/63/44/1023666344.db2.gz RLTLESXNOFRSDG-CQSZACIVSA-N 1 0 341.451 4.018 20 10 EICDRO C[N@H+](Cc1c(O)ccc2ccccc21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692480 1023691783 /nfs/dbraw/zinc/69/17/83/1023691783.db2.gz ITKSTEJZTJFGMO-UHFFFAOYSA-N 1 0 347.462 4.041 20 10 EICDRO Fc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698233 1023705392 /nfs/dbraw/zinc/70/53/92/1023705392.db2.gz SVEBZLKVMDMVOV-SFHVURJKSA-N 1 0 346.471 4.061 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1C(C)C ZINC000162712109 1023742443 /nfs/dbraw/zinc/74/24/43/1023742443.db2.gz ZNTSNKBYAKHDOE-GOSISDBHSA-N 1 0 327.472 4.067 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000364476377 1023813545 /nfs/dbraw/zinc/81/35/45/1023813545.db2.gz JKFFQXANFUMBQC-LJQANCHMSA-N 1 0 339.435 4.144 20 10 EICDRO CCC[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccccc1O ZINC000891853924 1024363457 /nfs/dbraw/zinc/36/34/57/1024363457.db2.gz UGEXLPGMOSIHTL-UHFFFAOYSA-N 1 0 344.402 4.366 20 10 EICDRO CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)Cc1ccccc1O ZINC001143519844 1024718578 /nfs/dbraw/zinc/71/85/78/1024718578.db2.gz VBWZSXWVCXWKKQ-UHFFFAOYSA-N 1 0 339.357 4.442 20 10 EICDRO CC[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(N(C)C)cc1 ZINC000162875542 1024960993 /nfs/dbraw/zinc/96/09/93/1024960993.db2.gz LLWZXEZTDSVRAM-IBGZPJMESA-N 1 0 326.488 4.081 20 10 EICDRO Cc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000277128331 1025079346 /nfs/dbraw/zinc/07/93/46/1025079346.db2.gz YKNVYSPCEUUYQT-UHFFFAOYSA-N 1 0 329.415 4.021 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc2ccccc2c1O ZINC000326689183 1025203086 /nfs/dbraw/zinc/20/30/86/1025203086.db2.gz QHFIFJOAZHGBBV-GOEBONIOSA-N 1 0 335.403 4.036 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000156834053 1025667104 /nfs/dbraw/zinc/66/71/04/1025667104.db2.gz HCJBCHLSPRMISP-RBUKOAKNSA-N 1 0 327.468 4.235 20 10 EICDRO C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310188942 1025847725 /nfs/dbraw/zinc/84/77/25/1025847725.db2.gz PPDUJNQGZPUWLB-FQEVSTJZSA-N 1 0 344.886 4.047 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1O ZINC000375663287 1025980993 /nfs/dbraw/zinc/98/09/93/1025980993.db2.gz JKDPKUKXLDFVSS-GBESFXJTSA-N 1 0 339.435 4.143 20 10 EICDRO COc1cc(C)cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1O ZINC000894579019 1026232774 /nfs/dbraw/zinc/23/27/74/1026232774.db2.gz BBIHUJQWEFVBIL-UHFFFAOYSA-N 1 0 343.389 4.454 20 10 EICDRO COCCCC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894603154 1026242987 /nfs/dbraw/zinc/24/29/87/1026242987.db2.gz UAHKEBSMTRGDKW-IBGZPJMESA-N 1 0 343.467 4.357 20 10 EICDRO Oc1ccccc1CN(Cc1cccc(F)c1Cl)C[C@H]1CCCO1 ZINC001167982936 1026419787 /nfs/dbraw/zinc/41/97/87/1026419787.db2.gz HMMDTUURTUUZDJ-MRXNPFEDSA-N 1 0 349.833 4.366 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000158843643 1026685673 /nfs/dbraw/zinc/68/56/73/1026685673.db2.gz XRHSOFVVJKLMEZ-IIBYNOLFSA-N 1 0 349.482 4.135 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000108091739 1026791056 /nfs/dbraw/zinc/79/10/56/1026791056.db2.gz OAQYWBWFWZJZKT-UHFFFAOYSA-N 1 0 336.888 4.122 20 10 EICDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000310651671 1027395942 /nfs/dbraw/zinc/39/59/42/1027395942.db2.gz VLJWTRISPUJYPV-KGLIPLIRSA-N 1 0 344.455 4.109 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382461037 1027668011 /nfs/dbraw/zinc/66/80/11/1027668011.db2.gz WAWXMNRBQUQROZ-XHSDSOJGSA-N 1 0 348.487 4.045 20 10 EICDRO CC1(C)CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC(C)(C)[NH2+]1 ZINC000020552180 1028073841 /nfs/dbraw/zinc/07/38/41/1028073841.db2.gz QZMIOJAXACRRBY-UHFFFAOYSA-N 1 0 331.287 4.098 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281207421 1028441723 /nfs/dbraw/zinc/44/17/23/1028441723.db2.gz SJTJQEFCMJGASB-SMDDNHRTSA-N 1 0 335.245 4.352 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1)c1ccccc1O ZINC000367319098 1029352856 /nfs/dbraw/zinc/35/28/56/1029352856.db2.gz TZHVBSPCJYBVAJ-LRDDRELGSA-N 1 0 341.386 4.383 20 10 EICDRO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)nc1 ZINC000185539359 1030201779 /nfs/dbraw/zinc/20/17/79/1030201779.db2.gz NDWCAPPNXATMTI-AWEZNQCLSA-N 1 0 345.874 4.069 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cc(F)ccc1O ZINC000185742757 1030222448 /nfs/dbraw/zinc/22/24/48/1030222448.db2.gz JFXRJWFKLFBXJZ-UONOGXRCSA-N 1 0 325.387 4.129 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)c1 ZINC000186150287 1030252602 /nfs/dbraw/zinc/25/26/02/1030252602.db2.gz MFFNRFQQLSXYGX-HNNXBMFYSA-N 1 0 334.419 4.314 20 10 EICDRO CN(C)C[C@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000527805851 1030865788 /nfs/dbraw/zinc/86/57/88/1030865788.db2.gz BKAFTEAWDBKTTK-INIZCTEOSA-N 1 0 339.266 4.092 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000527924169 1030919141 /nfs/dbraw/zinc/91/91/41/1030919141.db2.gz HJSRLAAQNMJIJA-IUODEOHRSA-N 1 0 331.378 4.268 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)OC)c1 ZINC000527930437 1030971435 /nfs/dbraw/zinc/97/14/35/1030971435.db2.gz UXGRTOQRYUQWGH-KXBFYZLASA-N 1 0 329.440 4.056 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c(O)c1OC ZINC000892448627 1031096355 /nfs/dbraw/zinc/09/63/55/1031096355.db2.gz CNEPJUCDBDOSSN-AWEZNQCLSA-N 1 0 341.451 4.139 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000179585933 1031223126 /nfs/dbraw/zinc/22/31/26/1031223126.db2.gz CQIOHZDULKNOIJ-FQEVSTJZSA-N 1 0 339.460 4.190 20 10 EICDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC001168243460 1031427416 /nfs/dbraw/zinc/42/74/16/1031427416.db2.gz DZVUYNSMNUHCGL-JENIJYKNSA-N 1 0 325.452 4.380 20 10 EICDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000780386170 1031627105 /nfs/dbraw/zinc/62/71/05/1031627105.db2.gz VHEFLGHLOKGCAI-JOYOIKCWSA-N 1 0 349.780 4.411 20 10 EICDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695173 1033624858 /nfs/dbraw/zinc/62/48/58/1033624858.db2.gz IVUHZNCHBNXYAX-ZWKOTPCHSA-N 1 0 340.515 4.169 20 10 EICDRO CCc1ccc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C(C)C)cc1 ZINC000236971165 1033843848 /nfs/dbraw/zinc/84/38/48/1033843848.db2.gz BDSQNCVLUWDGCF-FQEVSTJZSA-N 1 0 327.424 4.170 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1O ZINC000894181699 1034638817 /nfs/dbraw/zinc/63/88/17/1034638817.db2.gz ZPAHJKSUKORMQI-HNNXBMFYSA-N 1 0 329.440 4.347 20 10 EICDRO COc1cc(C[NH2+]Cc2ccccc2O)ccc1OCc1ccccc1 ZINC000237122701 1034965420 /nfs/dbraw/zinc/96/54/20/1034965420.db2.gz DIJRXUWJFNSJAZ-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC000761203388 1036040771 /nfs/dbraw/zinc/04/07/71/1036040771.db2.gz RCVUPGNHSZSREB-CYBMUJFWSA-N 1 0 347.842 4.052 20 10 EICDRO CCO[C@@H](C)c1nc(CN(C)Cc2cc(C)cc(C)c2O)cs1 ZINC000164413646 1036137124 /nfs/dbraw/zinc/13/71/24/1036137124.db2.gz VQSWMBCKXYPKRH-AWEZNQCLSA-N 1 0 334.485 4.195 20 10 EICDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000761216161 1036155749 /nfs/dbraw/zinc/15/57/49/1036155749.db2.gz MQZCHLFUSAREHF-BMLIUANNSA-N 1 0 341.785 4.190 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000156865162 1036462833 /nfs/dbraw/zinc/46/28/33/1036462833.db2.gz DJYYDVVDGIIAGG-OXQOHEQNSA-N 1 0 344.524 4.297 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1C ZINC000273370145 1037440611 /nfs/dbraw/zinc/44/06/11/1037440611.db2.gz CIIDJMBHJIVNPC-HNNXBMFYSA-N 1 0 327.424 4.021 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000273387065 1037445966 /nfs/dbraw/zinc/44/59/66/1037445966.db2.gz JTQRFYIBPHUZDT-OAHLLOKOSA-N 1 0 329.440 4.349 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273382158 1037448319 /nfs/dbraw/zinc/44/83/19/1037448319.db2.gz IMVLLRNWCZVJDB-HUUCEWRRSA-N 1 0 329.440 4.438 20 10 EICDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163600062 1037453015 /nfs/dbraw/zinc/45/30/15/1037453015.db2.gz XDPAHBJCEJFMPF-INIZCTEOSA-N 1 0 342.508 4.099 20 10 EICDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc(OC)c1OC ZINC000273437488 1037463029 /nfs/dbraw/zinc/46/30/29/1037463029.db2.gz XKXVQBMBHRHOJR-KGLIPLIRSA-N 1 0 345.439 4.138 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000273468783 1037473155 /nfs/dbraw/zinc/47/31/55/1037473155.db2.gz ROQQTGKKWAJHNM-GZRFBZBPSA-N 1 0 329.415 4.411 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1C ZINC000273529571 1037494708 /nfs/dbraw/zinc/49/47/08/1037494708.db2.gz VYEDHTXHFHXHKG-USGALAMMSA-N 1 0 331.481 4.158 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000273534493 1037497897 /nfs/dbraw/zinc/49/78/97/1037497897.db2.gz XATIANDAJYYQMP-AWEZNQCLSA-N 1 0 339.464 4.112 20 10 EICDRO Cc1ncsc1C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000172495806 1038152067 /nfs/dbraw/zinc/15/20/67/1038152067.db2.gz IQPDYYBOUJBXBA-UHFFFAOYSA-N 1 0 342.464 4.414 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374857 1038923064 /nfs/dbraw/zinc/92/30/64/1038923064.db2.gz AUCYHHNCHUSEHY-OAHLLOKOSA-N 1 0 344.430 4.079 20 10 EICDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000281542358 1039861494 /nfs/dbraw/zinc/86/14/94/1039861494.db2.gz ZJHJACZXTXCYDA-UHFFFAOYSA-N 1 0 340.515 4.299 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1O ZINC000159990600 1040302334 /nfs/dbraw/zinc/30/23/34/1040302334.db2.gz SQBVGTBXKBYEAI-GXTWGEPZSA-N 1 0 342.277 4.153 20 10 EICDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237517764 1040427940 /nfs/dbraw/zinc/42/79/40/1040427940.db2.gz UKMAFCCZDIENAH-RTBURBONSA-N 1 0 338.495 4.195 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OCCCOC)cc1)c1ccc(C)cc1O ZINC000287545722 1041463034 /nfs/dbraw/zinc/46/30/34/1041463034.db2.gz POEKQULLQJMURQ-FQEVSTJZSA-N 1 0 343.467 4.357 20 10 EICDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904582829 1041532350 /nfs/dbraw/zinc/53/23/50/1041532350.db2.gz RAJIZTNYAGPJHB-UHFFFAOYSA-N 1 0 341.455 4.030 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)c(C)c1OC ZINC000288559235 1041620430 /nfs/dbraw/zinc/62/04/30/1041620430.db2.gz YLNXGALODUTDFI-HNNXBMFYSA-N 1 0 329.440 4.185 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000894344600 1041938173 /nfs/dbraw/zinc/93/81/73/1041938173.db2.gz VFEMBJBQOYGUEG-KRWDZBQOSA-N 1 0 339.435 4.245 20 10 EICDRO CCc1cc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000152084523 1042633545 /nfs/dbraw/zinc/63/35/45/1042633545.db2.gz WYEXUZZDOFBUIH-UHFFFAOYSA-N 1 0 341.499 4.286 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1F ZINC000152194021 1042711397 /nfs/dbraw/zinc/71/13/97/1042711397.db2.gz TUWNCEYEZJWMAC-GOSISDBHSA-N 1 0 328.431 4.155 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000766030027 1043065433 /nfs/dbraw/zinc/06/54/33/1043065433.db2.gz SNFRPMGPFJEJQH-HNNXBMFYSA-N 1 0 329.463 4.117 20 10 EICDRO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000715725034 1043160315 /nfs/dbraw/zinc/16/03/15/1043160315.db2.gz MMKDEXAADANHQH-UHFFFAOYSA-N 1 0 328.225 4.060 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCc2cccnc2)cc1 ZINC000030545861 1043205348 /nfs/dbraw/zinc/20/53/48/1043205348.db2.gz PMSHBJFMPACDFS-UHFFFAOYSA-N 1 0 347.462 4.016 20 10 EICDRO FC(F)(F)c1cccc(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000727471867 1043220237 /nfs/dbraw/zinc/22/02/37/1043220237.db2.gz OYKPIBZZFSOANU-UHFFFAOYSA-N 1 0 347.380 4.462 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163633135 1043253669 /nfs/dbraw/zinc/25/36/69/1043253669.db2.gz DLKQMBUTYMMONS-KRWDZBQOSA-N 1 0 326.509 4.399 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCC[C@@H]1C ZINC000727643653 1043255903 /nfs/dbraw/zinc/25/59/03/1043255903.db2.gz BCZZHMPJYMETDS-OALUTQOASA-N 1 0 329.532 4.029 20 10 EICDRO CCCN(CCC)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000727644355 1043256033 /nfs/dbraw/zinc/25/60/33/1043256033.db2.gz BNCAKIOERRKCTC-LEWJYISDSA-N 1 0 329.532 4.029 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](CC)Cc2ccccc2)ccc1OC ZINC000727838517 1043311823 /nfs/dbraw/zinc/31/18/23/1043311823.db2.gz AFXUDSVYEJYVNI-HXUWFJFHSA-N 1 0 327.468 4.343 20 10 EICDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727839078 1043313699 /nfs/dbraw/zinc/31/36/99/1043313699.db2.gz WMUJZKWHBSIABG-PZJWPPBQSA-N 1 0 330.516 4.218 20 10 EICDRO COc1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000728063265 1043347084 /nfs/dbraw/zinc/34/70/84/1043347084.db2.gz DDENEAQKZSPSFX-UHFFFAOYSA-N 1 0 337.341 4.199 20 10 EICDRO CCOc1c(Cl)cccc1C[NH2+]CCCSc1nccs1 ZINC000785472391 1043598183 /nfs/dbraw/zinc/59/81/83/1043598183.db2.gz GKBWHNFHECHRGC-UHFFFAOYSA-N 1 0 342.917 4.467 20 10 EICDRO COc1cccc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1O ZINC000730818331 1043630768 /nfs/dbraw/zinc/63/07/68/1043630768.db2.gz NMEBVRKCFBHFCC-FQEVSTJZSA-N 1 0 349.430 4.311 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)c1 ZINC000731361174 1043739910 /nfs/dbraw/zinc/73/99/10/1043739910.db2.gz YHJMYFLEAQZHPH-UHFFFAOYSA-N 1 0 330.447 4.360 20 10 EICDRO CCOCc1cc(C[NH2+]C2(c3ccc(OC)cc3)CC2)ccc1OC ZINC000731678901 1043816661 /nfs/dbraw/zinc/81/66/61/1043816661.db2.gz RMZLNDMVNVWGPY-UHFFFAOYSA-N 1 0 341.451 4.019 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-n2cccn2)cc1 ZINC000766074208 1043878863 /nfs/dbraw/zinc/87/88/63/1043878863.db2.gz UQRDOGODTJBQHO-AWEZNQCLSA-N 1 0 344.509 4.162 20 10 EICDRO COC(=O)c1occc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000733199438 1044126821 /nfs/dbraw/zinc/12/68/21/1044126821.db2.gz XZDRIMUXIQVFRE-UHFFFAOYSA-N 1 0 343.423 4.107 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766190293 1044154716 /nfs/dbraw/zinc/15/47/16/1044154716.db2.gz DTMYDWSEIFMOEB-QFHJOOASSA-N 1 0 346.490 4.282 20 10 EICDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733327415 1044195448 /nfs/dbraw/zinc/19/54/48/1044195448.db2.gz WEKABLSRVSMNSG-UHFFFAOYSA-N 1 0 325.431 4.014 20 10 EICDRO Cc1ccc2nc(C[N@H+](Cc3ccccc3O)C3CCCC3)cn2c1 ZINC000733613949 1044268026 /nfs/dbraw/zinc/26/80/26/1044268026.db2.gz RWWCQXAWACJHCW-UHFFFAOYSA-N 1 0 335.451 4.293 20 10 EICDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)on1 ZINC000766135569 1044320185 /nfs/dbraw/zinc/32/01/85/1044320185.db2.gz LSMJWXSZAKIWLC-INIZCTEOSA-N 1 0 327.472 4.468 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000466360722 1044320651 /nfs/dbraw/zinc/32/06/51/1044320651.db2.gz IWMBJURLVPRCTK-RCCFBDPRSA-N 1 0 326.484 4.172 20 10 EICDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000766142179 1044345517 /nfs/dbraw/zinc/34/55/17/1044345517.db2.gz MHISHOPOZJDZKA-SFHVURJKSA-N 1 0 338.499 4.225 20 10 EICDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000766144114 1044351987 /nfs/dbraw/zinc/35/19/87/1044351987.db2.gz VGSMOBMJFBLUHY-PXNSSMCTSA-N 1 0 342.483 4.353 20 10 EICDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000766146191 1044359524 /nfs/dbraw/zinc/35/95/24/1044359524.db2.gz VRWLQDHJTDFYHN-INIZCTEOSA-N 1 0 332.488 4.059 20 10 EICDRO Cc1ccsc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000914581886 1044536748 /nfs/dbraw/zinc/53/67/48/1044536748.db2.gz DPHORCFHKWLSHO-UHFFFAOYSA-N 1 0 345.468 4.245 20 10 EICDRO OC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cccc(F)c1 ZINC000734847609 1044700900 /nfs/dbraw/zinc/70/09/00/1044700900.db2.gz QGGSLWNVCRRQEP-FQEVSTJZSA-N 1 0 337.394 4.022 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)s1 ZINC000706843496 1044789990 /nfs/dbraw/zinc/78/99/90/1044789990.db2.gz UJNHJZSWQPFYJZ-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c(O)c1OC ZINC000895636400 1044835658 /nfs/dbraw/zinc/83/56/58/1044835658.db2.gz UFRJASMEEPAGEH-INIZCTEOSA-N 1 0 347.842 4.230 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736589207 1044957894 /nfs/dbraw/zinc/95/78/94/1044957894.db2.gz DONJKCPSQSJTTA-INIZCTEOSA-N 1 0 336.410 4.144 20 10 EICDRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000187101526 1044964582 /nfs/dbraw/zinc/96/45/82/1044964582.db2.gz PNSUSMTXMJCURL-UHFFFAOYSA-N 1 0 347.462 4.113 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)oc1ccccc12 ZINC000738110110 1045041123 /nfs/dbraw/zinc/04/11/23/1045041123.db2.gz LDZBHBOWGJUGEZ-UHFFFAOYSA-N 1 0 347.418 4.325 20 10 EICDRO OCC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000740898986 1045240727 /nfs/dbraw/zinc/24/07/27/1045240727.db2.gz KFHSWWIVLGKDNQ-NRFANRHFSA-N 1 0 347.458 4.315 20 10 EICDRO CCN(CC)c1ccc(CN(C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000915361350 1045293996 /nfs/dbraw/zinc/29/39/96/1045293996.db2.gz TUCSXYXUJMWOOS-UHFFFAOYSA-N 1 0 329.488 4.450 20 10 EICDRO c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000762795830 1045353566 /nfs/dbraw/zinc/35/35/66/1045353566.db2.gz ZCOIKRJPJMVOMD-QFIPXVFZSA-N 1 0 336.479 4.250 20 10 EICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237359167 1045382102 /nfs/dbraw/zinc/38/21/02/1045382102.db2.gz QUMVSUQEVMMGNO-CABCVRRESA-N 1 0 325.456 4.123 20 10 EICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237523968 1045387759 /nfs/dbraw/zinc/38/77/59/1045387759.db2.gz QUMVSUQEVMMGNO-GJZGRUSLSA-N 1 0 325.456 4.123 20 10 EICDRO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCCO2 ZINC000193692910 1045442815 /nfs/dbraw/zinc/44/28/15/1045442815.db2.gz YNGYHHBOFLZARJ-HXUWFJFHSA-N 1 0 340.442 4.429 20 10 EICDRO Cc1cc(CC[NH2+]Cc2cnc(C)s2)c(C)n1-c1ccccc1 ZINC000915676269 1045446162 /nfs/dbraw/zinc/44/61/62/1045446162.db2.gz LKCBMPSLMQZZAS-UHFFFAOYSA-N 1 0 325.481 4.191 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1O ZINC000790695007 1045560193 /nfs/dbraw/zinc/56/01/93/1045560193.db2.gz CIHQSUYZQJITDI-RDJZCZTQSA-N 1 0 347.890 4.421 20 10 EICDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(C)(C)O ZINC000790700965 1045560802 /nfs/dbraw/zinc/56/08/02/1045560802.db2.gz IAFXHTDWDJYIDZ-BEFAXECRSA-N 1 0 336.495 4.262 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000767683728 1045607084 /nfs/dbraw/zinc/60/70/84/1045607084.db2.gz ZXFPVFSVSAZAEG-UHFFFAOYSA-N 1 0 346.927 4.491 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000790947086 1045631237 /nfs/dbraw/zinc/63/12/37/1045631237.db2.gz IBPYRGURJMSLJG-UHFFFAOYSA-N 1 0 349.711 4.373 20 10 EICDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1 ZINC000742388116 1045661601 /nfs/dbraw/zinc/66/16/01/1045661601.db2.gz LBQPXFYUYZEHAH-GOSISDBHSA-N 1 0 336.838 4.022 20 10 EICDRO Oc1ccc(Cl)c(F)c1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000790980874 1045665883 /nfs/dbraw/zinc/66/58/83/1045665883.db2.gz GLAQBZGUMSFXQF-UHFFFAOYSA-N 1 0 348.849 4.435 20 10 EICDRO Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)n2c1 ZINC000768131210 1045723826 /nfs/dbraw/zinc/72/38/26/1045723826.db2.gz WOOIQHSJZCWOSI-UHFFFAOYSA-N 1 0 348.494 4.265 20 10 EICDRO CC[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768134896 1045724746 /nfs/dbraw/zinc/72/47/46/1045724746.db2.gz XGXAHJNICFASJR-UHFFFAOYSA-N 1 0 329.513 4.499 20 10 EICDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1c(O)cccc1Cl ZINC000768159998 1045729297 /nfs/dbraw/zinc/72/92/97/1045729297.db2.gz KCKNXGRLQXEMDT-UHFFFAOYSA-N 1 0 327.758 4.279 20 10 EICDRO Cc1ccc(F)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000768162550 1045731495 /nfs/dbraw/zinc/73/14/95/1045731495.db2.gz PKQUQNOYIVVPML-SFHVURJKSA-N 1 0 329.415 4.021 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000768224292 1045756254 /nfs/dbraw/zinc/75/62/54/1045756254.db2.gz VXWXESDGIWOYPQ-UHFFFAOYSA-N 1 0 341.842 4.302 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000768223671 1045757285 /nfs/dbraw/zinc/75/72/85/1045757285.db2.gz NUPSGGIVLKCLLD-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO COc1cc(Br)cc(C[N@H+](C2CC2)C2CCCC2)c1O ZINC000768251816 1045763191 /nfs/dbraw/zinc/76/31/91/1045763191.db2.gz AGEODUXXMRRZGT-UHFFFAOYSA-N 1 0 340.261 4.070 20 10 EICDRO CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768304475 1045783785 /nfs/dbraw/zinc/78/37/85/1045783785.db2.gz XGCZOULPUSMWPF-UHFFFAOYSA-N 1 0 345.314 4.253 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000768354104 1045795334 /nfs/dbraw/zinc/79/53/34/1045795334.db2.gz FHJZSQMALVZVNY-HXUWFJFHSA-N 1 0 327.447 4.404 20 10 EICDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(OC)c(OC)cc1O ZINC000768440186 1045807869 /nfs/dbraw/zinc/80/78/69/1045807869.db2.gz OSXAZBLZXAUOGE-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(C)cc1O ZINC000768443176 1045807884 /nfs/dbraw/zinc/80/78/84/1045807884.db2.gz QECPWYOHWSJNGT-UHFFFAOYSA-N 1 0 343.467 4.138 20 10 EICDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccccc1OC ZINC000768478222 1045808394 /nfs/dbraw/zinc/80/83/94/1045808394.db2.gz JAELGTBNHOUXGI-OAHLLOKOSA-N 1 0 329.440 4.383 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1OC ZINC000768465491 1045810666 /nfs/dbraw/zinc/81/06/66/1045810666.db2.gz IEKHESKTOJGDEX-CXAGYDPISA-N 1 0 345.414 4.132 20 10 EICDRO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c(O)cc1C ZINC000768464597 1045811425 /nfs/dbraw/zinc/81/14/25/1045811425.db2.gz CPZZOQCPBGHJBG-UHFFFAOYSA-N 1 0 332.469 4.033 20 10 EICDRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1O ZINC000768779810 1045841445 /nfs/dbraw/zinc/84/14/45/1045841445.db2.gz WYMMXWPZUZWKOK-INIZCTEOSA-N 1 0 336.435 4.262 20 10 EICDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000768892150 1045854198 /nfs/dbraw/zinc/85/41/98/1045854198.db2.gz ICYDJCNRYBBLLA-IBGZPJMESA-N 1 0 338.495 4.060 20 10 EICDRO Cn1c2ccccc2cc1[N@@H+]1C(=N)C=CC(/N=N/c2ccccc2)=C1N ZINC001212043123 1045855750 /nfs/dbraw/zinc/85/57/50/1045855750.db2.gz NVFPPRSSOBEFML-JNVQNEIGSA-N 1 0 342.406 4.446 20 10 EICDRO CC[N@H+](Cc1occc1C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000769142770 1045884442 /nfs/dbraw/zinc/88/44/42/1045884442.db2.gz ZNIRWHXMJCMTKW-UHFFFAOYSA-N 1 0 342.483 4.225 20 10 EICDRO CN(c1ccccc1)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769163569 1045887975 /nfs/dbraw/zinc/88/79/75/1045887975.db2.gz BEZAURBRQXPWQA-UHFFFAOYSA-N 1 0 330.859 4.146 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1C ZINC000769245779 1045900960 /nfs/dbraw/zinc/90/09/60/1045900960.db2.gz WVGSJZUBDPHKED-PZJWPPBQSA-N 1 0 325.452 4.097 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000769307307 1045913914 /nfs/dbraw/zinc/91/39/14/1045913914.db2.gz GRRMPFCUMFSACT-SFHVURJKSA-N 1 0 349.434 4.478 20 10 EICDRO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404794 1045951641 /nfs/dbraw/zinc/95/16/41/1045951641.db2.gz QAMQYYHLRDTEHI-QGZVFWFLSA-N 1 0 333.476 4.166 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000769403916 1045953078 /nfs/dbraw/zinc/95/30/78/1045953078.db2.gz JUZGIMCGWMAIDQ-INIZCTEOSA-N 1 0 332.469 4.065 20 10 EICDRO C[C@@H](CCC1CC1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000769413756 1045956813 /nfs/dbraw/zinc/95/68/13/1045956813.db2.gz KMBLDXSZSLMTRK-AWEZNQCLSA-N 1 0 338.442 4.425 20 10 EICDRO CCCN(CCC)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000769428953 1045962471 /nfs/dbraw/zinc/96/24/71/1045962471.db2.gz XITWMABIYFNFDY-UHFFFAOYSA-N 1 0 340.515 4.416 20 10 EICDRO Cc1cccc(NC2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000769470715 1045987142 /nfs/dbraw/zinc/98/71/42/1045987142.db2.gz OCTYYPNTPGGLRZ-UHFFFAOYSA-N 1 0 330.859 4.431 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(O)c1 ZINC000769515436 1046007163 /nfs/dbraw/zinc/00/71/63/1046007163.db2.gz SLOXUNUDWCNSRU-MRXNPFEDSA-N 1 0 346.496 4.319 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1O ZINC000769532681 1046010995 /nfs/dbraw/zinc/01/09/95/1046010995.db2.gz JZUCXMYQNGXZEL-HNNXBMFYSA-N 1 0 347.842 4.098 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792882266 1046089540 /nfs/dbraw/zinc/08/95/40/1046089540.db2.gz LEEVMXJTNMXRPP-UHFFFAOYSA-N 1 0 338.373 4.070 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000769929303 1046115024 /nfs/dbraw/zinc/11/50/24/1046115024.db2.gz YAHUENKEAHXPSL-WIYYLYMNSA-N 1 0 339.479 4.480 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769936807 1046116471 /nfs/dbraw/zinc/11/64/71/1046116471.db2.gz XNZFUJOWHXPWRV-LJQANCHMSA-N 1 0 332.513 4.198 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769985046 1046122133 /nfs/dbraw/zinc/12/21/33/1046122133.db2.gz GDQVIIRFAATOPR-KSSFIOAISA-N 1 0 348.487 4.262 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cncc(F)c1 ZINC000793067356 1046135610 /nfs/dbraw/zinc/13/56/10/1046135610.db2.gz PBCWHHNQRUSWBR-NSHDSACASA-N 1 0 341.352 4.156 20 10 EICDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1(C)C ZINC001170426818 1046158803 /nfs/dbraw/zinc/15/88/03/1046158803.db2.gz YGZRHNHFSMATGA-FQEVSTJZSA-N 1 0 330.516 4.232 20 10 EICDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000770303810 1046176064 /nfs/dbraw/zinc/17/60/64/1046176064.db2.gz JBCGNIUMLRKIKP-UHFFFAOYSA-N 1 0 331.891 4.301 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000691478681 1046184219 /nfs/dbraw/zinc/18/42/19/1046184219.db2.gz XEMCGABPPNHSDY-NSHDSACASA-N 1 0 334.204 4.070 20 10 EICDRO Cc1cc(O)c(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1C ZINC000770346983 1046190043 /nfs/dbraw/zinc/19/00/43/1046190043.db2.gz GABDUINFSNHRGV-UHFFFAOYSA-N 1 0 333.859 4.047 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)c(O)c1 ZINC000793249664 1046191855 /nfs/dbraw/zinc/19/18/55/1046191855.db2.gz HVLVEUQVOOBSKZ-JOCHJYFZSA-N 1 0 348.446 4.374 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1O ZINC000770664493 1046244805 /nfs/dbraw/zinc/24/48/05/1046244805.db2.gz RAZGUUXGLHEMNZ-UHFFFAOYSA-N 1 0 333.378 4.059 20 10 EICDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000793532257 1046296281 /nfs/dbraw/zinc/29/62/81/1046296281.db2.gz GSYOCJISAPQESK-IAOVAPTHSA-N 1 0 348.537 4.416 20 10 EICDRO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000771934825 1046530035 /nfs/dbraw/zinc/53/00/35/1046530035.db2.gz ANFZGQGIMJYARV-UHFFFAOYSA-N 1 0 334.467 4.083 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2O ZINC000785569179 1046721790 /nfs/dbraw/zinc/72/17/90/1046721790.db2.gz AZCLAXKKEWEORG-WKPIXPDZSA-N 1 0 331.362 4.332 20 10 EICDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000786165934 1046814061 /nfs/dbraw/zinc/81/40/61/1046814061.db2.gz XIBRKTAVBPNHMA-QFIPXVFZSA-N 1 0 347.458 4.061 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000786953942 1046884058 /nfs/dbraw/zinc/88/40/58/1046884058.db2.gz PGCYSIHNRJWQKK-DGCLKSJQSA-N 1 0 325.758 4.054 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)CCCC3 ZINC000917472974 1046898099 /nfs/dbraw/zinc/89/80/99/1046898099.db2.gz LNUHRHQDCYPHCH-LPHOPBHVSA-N 1 0 341.451 4.161 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1C ZINC000787040911 1046898674 /nfs/dbraw/zinc/89/86/74/1046898674.db2.gz ZLRJFLZTAOHMGQ-SJCJKPOMSA-N 1 0 337.822 4.186 20 10 EICDRO CCC[N@H+](Cc1cccc(C)c1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787326223 1046993842 /nfs/dbraw/zinc/99/38/42/1046993842.db2.gz AQHTYEGPFNZPEJ-QGZVFWFLSA-N 1 0 340.467 4.248 20 10 EICDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133001 1047124425 /nfs/dbraw/zinc/12/44/25/1047124425.db2.gz FDWOAKMTYPMYTK-BLLLJJGKSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172540 1047157026 /nfs/dbraw/zinc/15/70/26/1047157026.db2.gz NYKKYFQSNUEGFR-SFTDATJTSA-N 1 0 343.490 4.235 20 10 EICDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000806173719 1047159592 /nfs/dbraw/zinc/15/95/92/1047159592.db2.gz ZVHMXKFDRPFSDB-YVEFUNNKSA-N 1 0 336.838 4.138 20 10 EICDRO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC000806175970 1047162650 /nfs/dbraw/zinc/16/26/50/1047162650.db2.gz GVYLBVGGNAYUJQ-JXFKEZNVSA-N 1 0 342.483 4.133 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000806142333 1047169035 /nfs/dbraw/zinc/16/90/35/1047169035.db2.gz ODVDHKRBHPNXAA-BMGDILEWSA-N 1 0 336.426 4.035 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000806142343 1047169101 /nfs/dbraw/zinc/16/91/01/1047169101.db2.gz ODVDHKRBHPNXAA-WBAXXEDZSA-N 1 0 336.426 4.035 20 10 EICDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806181655 1047191459 /nfs/dbraw/zinc/19/14/59/1047191459.db2.gz ZVALMITYZGDKIQ-XLIONFOSSA-N 1 0 346.902 4.223 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)c(F)cc1[O-] ZINC000806178377 1047201771 /nfs/dbraw/zinc/20/17/71/1047201771.db2.gz FYSIEVFLZUATAL-ZJUUUORDSA-N 1 0 348.281 4.088 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000806178025 1047202140 /nfs/dbraw/zinc/20/21/40/1047202140.db2.gz BICDDNXDTCBFTF-YJBOKZPZSA-N 1 0 346.902 4.223 20 10 EICDRO Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC000788524230 1047214021 /nfs/dbraw/zinc/21/40/21/1047214021.db2.gz DFKLEAOMOXFARF-QGZVFWFLSA-N 1 0 327.859 4.112 20 10 EICDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc2ccccc2c1O ZINC000788603948 1047245918 /nfs/dbraw/zinc/24/59/18/1047245918.db2.gz GUOIBMJFUICOSD-HNNXBMFYSA-N 1 0 325.452 4.139 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788613470 1047247332 /nfs/dbraw/zinc/24/73/32/1047247332.db2.gz XFWMMSPZMOVDQE-JKSUJKDBSA-N 1 0 348.487 4.059 20 10 EICDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H](O)c1ccccc1 ZINC000788622552 1047253392 /nfs/dbraw/zinc/25/33/92/1047253392.db2.gz RIFOHCNESGQMBV-MJXNMMHHSA-N 1 0 333.859 4.454 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000788751272 1047283680 /nfs/dbraw/zinc/28/36/80/1047283680.db2.gz RERUEWBIRFHZCO-LIRRHRJNSA-N 1 0 333.859 4.221 20 10 EICDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000918197123 1047367571 /nfs/dbraw/zinc/36/75/71/1047367571.db2.gz HUSROJSFPNTGTK-FQEVSTJZSA-N 1 0 344.886 4.154 20 10 EICDRO Fc1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCCC2)c(F)c1 ZINC000760457719 1047375749 /nfs/dbraw/zinc/37/57/49/1047375749.db2.gz HXUZYECGVNIHID-UHFFFAOYSA-N 1 0 329.390 4.459 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000918203526 1047379289 /nfs/dbraw/zinc/37/92/89/1047379289.db2.gz OXQFZVOLVWTBHU-OAQYLSRUSA-N 1 0 344.474 4.275 20 10 EICDRO CC(C)(C)c1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000790474823 1047593314 /nfs/dbraw/zinc/59/33/14/1047593314.db2.gz YIGWZMHNPCVNLJ-UHFFFAOYSA-N 1 0 327.544 4.169 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000790487431 1047598160 /nfs/dbraw/zinc/59/81/60/1047598160.db2.gz MBKDAAPNQKMCTQ-RBUKOAKNSA-N 1 0 340.515 4.082 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000154827899 1047668035 /nfs/dbraw/zinc/66/80/35/1047668035.db2.gz PLHAUOIAHIIIDW-IAGOWNOFSA-N 1 0 330.497 4.332 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1C(C)C ZINC000808237651 1047853181 /nfs/dbraw/zinc/85/31/81/1047853181.db2.gz ANNDXQAREKUOQW-UHFFFAOYSA-N 1 0 339.435 4.197 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000814169812 1047871534 /nfs/dbraw/zinc/87/15/34/1047871534.db2.gz MWFHDGNPWBOZHK-LJQANCHMSA-N 1 0 338.495 4.495 20 10 EICDRO Oc1c(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc2ccccc21 ZINC000824521055 1047878762 /nfs/dbraw/zinc/87/87/62/1047878762.db2.gz FDBMBWZEYWBLBY-UHFFFAOYSA-N 1 0 325.452 4.063 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)ccn1 ZINC000824597705 1047891331 /nfs/dbraw/zinc/89/13/31/1047891331.db2.gz WVUFYIJAOKLNSI-UHFFFAOYSA-N 1 0 343.474 4.243 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3ccccc3C(C)(F)F)cc2)CC1 ZINC000824722301 1047913236 /nfs/dbraw/zinc/91/32/36/1047913236.db2.gz PRKIQZSSZNADNH-UHFFFAOYSA-N 1 0 345.437 4.162 20 10 EICDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC000808454875 1047921849 /nfs/dbraw/zinc/92/18/49/1047921849.db2.gz QHOAVQQBOXMDGT-OAHLLOKOSA-N 1 0 326.223 4.176 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1O ZINC000808686047 1048039376 /nfs/dbraw/zinc/03/93/76/1048039376.db2.gz FQJYFESZYARXSO-CYBMUJFWSA-N 1 0 346.858 4.389 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1Cl ZINC000825120869 1048039669 /nfs/dbraw/zinc/03/96/69/1048039669.db2.gz NOLKCTHEGDJVGJ-UHFFFAOYSA-N 1 0 345.874 4.029 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1O ZINC000808676578 1048045991 /nfs/dbraw/zinc/04/59/91/1048045991.db2.gz GGQZQIYEDWFWJW-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000808677735 1048048096 /nfs/dbraw/zinc/04/80/96/1048048096.db2.gz FVTDDMHXFHVOKY-LJQANCHMSA-N 1 0 342.458 4.458 20 10 EICDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703864 1048050857 /nfs/dbraw/zinc/05/08/57/1048050857.db2.gz YPGHTUCPEAWZAV-SCLBCKFNSA-N 1 0 349.858 4.137 20 10 EICDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808706290 1048053729 /nfs/dbraw/zinc/05/37/29/1048053729.db2.gz GQRGSZPJMQSXLV-FZMZJTMJSA-N 1 0 325.861 4.108 20 10 EICDRO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(C(F)(F)F)cc1O ZINC000825250090 1048057355 /nfs/dbraw/zinc/05/73/55/1048057355.db2.gz UQJBJANHVXLZCB-CYBMUJFWSA-N 1 0 340.345 4.056 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000808715400 1048064726 /nfs/dbraw/zinc/06/47/26/1048064726.db2.gz CTFRDQMDZHAWJJ-CJNGLKHVSA-N 1 0 347.890 4.340 20 10 EICDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1cccnc1 ZINC000825330668 1048069997 /nfs/dbraw/zinc/06/99/97/1048069997.db2.gz CABZEDUFIXJHPF-MRXNPFEDSA-N 1 0 349.272 4.079 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000808721005 1048071738 /nfs/dbraw/zinc/07/17/38/1048071738.db2.gz GFJJZBHGHOSIMJ-GXZWQRSESA-N 1 0 325.452 4.044 20 10 EICDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808700889 1048081002 /nfs/dbraw/zinc/08/10/02/1048081002.db2.gz MWJANXNSSDAPPZ-TXUQDUFDSA-N 1 0 343.920 4.084 20 10 EICDRO C[C@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccc(N(C)C)cc1 ZINC000808748706 1048082341 /nfs/dbraw/zinc/08/23/41/1048082341.db2.gz YOFAZADBRSXRTF-ZDUSSCGKSA-N 1 0 346.858 4.028 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1Cl ZINC000825396563 1048086970 /nfs/dbraw/zinc/08/69/70/1048086970.db2.gz VBIIPCVFAOTIRL-ABAIWWIYSA-N 1 0 325.861 4.017 20 10 EICDRO CCO[C@@H](C)c1nc(CN(C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054097 1048304776 /nfs/dbraw/zinc/30/47/76/1048304776.db2.gz GVIJHWYMPICMOX-HNNXBMFYSA-N 1 0 347.528 4.247 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815060997 1048314207 /nfs/dbraw/zinc/31/42/07/1048314207.db2.gz XNPYADFBPWPQPM-HKUYNNGSSA-N 1 0 344.524 4.211 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000815120066 1048335017 /nfs/dbraw/zinc/33/50/17/1048335017.db2.gz NOULGHFKSLXONI-SFHVURJKSA-N 1 0 332.513 4.054 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCCc2cnccc2C)cc1F ZINC000809619804 1048425817 /nfs/dbraw/zinc/42/58/17/1048425817.db2.gz YDDFKNONLUJLOI-UHFFFAOYSA-N 1 0 329.463 4.098 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1O ZINC000809699528 1048462448 /nfs/dbraw/zinc/46/24/48/1048462448.db2.gz SNRCOKXIWFNHHU-JOCHJYFZSA-N 1 0 347.458 4.436 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000809729345 1048477131 /nfs/dbraw/zinc/47/71/31/1048477131.db2.gz SMAAUBPNNUYEAT-IBGZPJMESA-N 1 0 327.447 4.404 20 10 EICDRO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704179 1048488247 /nfs/dbraw/zinc/48/82/47/1048488247.db2.gz WMSDRLNCROIGNQ-LAUBAEHRSA-N 1 0 336.479 4.118 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000809713177 1048491945 /nfs/dbraw/zinc/49/19/45/1048491945.db2.gz KXMYMNBVFZCPJF-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767781 1048502559 /nfs/dbraw/zinc/50/25/59/1048502559.db2.gz SYBMUMOXYSCENX-MRXNPFEDSA-N 1 0 341.842 4.060 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000815553552 1048504774 /nfs/dbraw/zinc/50/47/74/1048504774.db2.gz CRPAAOBFVWPDLZ-FYYLOGMGSA-N 1 0 347.458 4.389 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3c(C)cc(C)cc3O)c2c1 ZINC000815579251 1048518730 /nfs/dbraw/zinc/51/87/30/1048518730.db2.gz IQJVBPOJWTZBFC-OAHLLOKOSA-N 1 0 338.451 4.392 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000809757651 1048521132 /nfs/dbraw/zinc/52/11/32/1048521132.db2.gz QLGVLTQKEFPTBF-QGZVFWFLSA-N 1 0 343.471 4.248 20 10 EICDRO CO[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C(C)C ZINC000815585363 1048522424 /nfs/dbraw/zinc/52/24/24/1048522424.db2.gz FOXAODOHZSPUII-TZIWHRDSSA-N 1 0 327.468 4.327 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCN1C ZINC000815583955 1048522960 /nfs/dbraw/zinc/52/29/60/1048522960.db2.gz RTCLNYGZVXWRFH-QFUCXCTJSA-N 1 0 338.495 4.138 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1ccncc1 ZINC000815589593 1048527124 /nfs/dbraw/zinc/52/71/24/1048527124.db2.gz YAMQDVDNSCOUAP-OAQYLSRUSA-N 1 0 332.447 4.293 20 10 EICDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1C ZINC000809765856 1048528180 /nfs/dbraw/zinc/52/81/80/1048528180.db2.gz PNKLVFFNJSGNAB-UHFFFAOYSA-N 1 0 338.495 4.105 20 10 EICDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)[nH]n1 ZINC000815596897 1048529930 /nfs/dbraw/zinc/52/99/30/1048529930.db2.gz HFKFPRRWAVUPTG-IERDGZPVSA-N 1 0 349.478 4.318 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000815597868 1048530292 /nfs/dbraw/zinc/53/02/92/1048530292.db2.gz IAEMDVLUJFQGIA-OXJNMPFZSA-N 1 0 325.452 4.173 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)N(C)C)cc1 ZINC000815660008 1048560736 /nfs/dbraw/zinc/56/07/36/1048560736.db2.gz POKVSMZYEDWDIL-DNVCBOLYSA-N 1 0 344.524 4.376 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)c1ccccc1O ZINC000815660426 1048561151 /nfs/dbraw/zinc/56/11/51/1048561151.db2.gz ZARBVQJKIMXGNP-OALUTQOASA-N 1 0 344.524 4.458 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000815637443 1048564503 /nfs/dbraw/zinc/56/45/03/1048564503.db2.gz XEVZYJFSOZEEOQ-CYBMUJFWSA-N 1 0 338.373 4.316 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000920183008 1048565401 /nfs/dbraw/zinc/56/54/01/1048565401.db2.gz YUJMKKQIGREYHW-RBBKRZOGSA-N 1 0 338.495 4.106 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000815643116 1048567648 /nfs/dbraw/zinc/56/76/48/1048567648.db2.gz UJVQUJZFUDOHES-HZPDHXFCSA-N 1 0 325.456 4.189 20 10 EICDRO CC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccc(N(C)C)cc1 ZINC001144416656 1048651148 /nfs/dbraw/zinc/65/11/48/1048651148.db2.gz PVONMMZKDZKTBY-UHFFFAOYSA-N 1 0 342.874 4.304 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000810146188 1048656060 /nfs/dbraw/zinc/65/60/60/1048656060.db2.gz NGGGGINEGRKQPC-UHFFFAOYSA-N 1 0 338.373 4.075 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810217695 1048685941 /nfs/dbraw/zinc/68/59/41/1048685941.db2.gz ABGDDRFATZKIPW-UKRRQHHQSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1O ZINC000810216906 1048686741 /nfs/dbraw/zinc/68/67/41/1048686741.db2.gz RNNNRUMCRDFAAF-OAHLLOKOSA-N 1 0 342.361 4.299 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C(F)(F)F)cc1O ZINC000810217292 1048686778 /nfs/dbraw/zinc/68/67/78/1048686778.db2.gz ZYYXXMCQZBJNNT-MRXNPFEDSA-N 1 0 339.357 4.144 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1O ZINC000810219983 1048688017 /nfs/dbraw/zinc/68/80/17/1048688017.db2.gz NXHTWRMZOFBINT-HIFRSBDPSA-N 1 0 343.345 4.087 20 10 EICDRO CC[C@H]([NH2+]Cc1ncc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810220232 1048690330 /nfs/dbraw/zinc/69/03/30/1048690330.db2.gz SIFJANMDQFBLAG-LBPRGKRZSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)cc1O ZINC000810224724 1048692449 /nfs/dbraw/zinc/69/24/49/1048692449.db2.gz XGNBLRPUWQELOE-DLTWYDFYSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810226378 1048694214 /nfs/dbraw/zinc/69/42/14/1048694214.db2.gz FDHXEESWFNAKEQ-RISCZKNCSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@H]([NH2+]Cc1ncccc1F)c1ccc(C(F)(F)F)cc1O ZINC000810228621 1048695558 /nfs/dbraw/zinc/69/55/58/1048695558.db2.gz XPQYKRFOZAZVLA-ZDUSSCGKSA-N 1 0 328.309 4.186 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810229144 1048695578 /nfs/dbraw/zinc/69/55/78/1048695578.db2.gz SZWMJZJSVLAIQE-OFQRWUPVSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228867 1048696371 /nfs/dbraw/zinc/69/63/71/1048696371.db2.gz NAYQLKKWTYRYMX-HFAKWTLXSA-N 1 0 331.378 4.408 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810236798 1048718513 /nfs/dbraw/zinc/71/85/13/1048718513.db2.gz NKDSPLMMYBVATQ-ZIAGYGMSSA-N 1 0 343.345 4.168 20 10 EICDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000810242969 1048724881 /nfs/dbraw/zinc/72/48/81/1048724881.db2.gz JKZIZPNEZSPLKL-KKSFZXQISA-N 1 0 325.452 4.229 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000810247416 1048726398 /nfs/dbraw/zinc/72/63/98/1048726398.db2.gz WCIOWCYNRGUXRU-DCPHZVHLSA-N 1 0 345.870 4.171 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1C ZINC000810252604 1048729356 /nfs/dbraw/zinc/72/93/56/1048729356.db2.gz GYXFECZWKIUILN-KUHUBIRLSA-N 1 0 331.481 4.209 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000845971065 1048773754 /nfs/dbraw/zinc/77/37/54/1048773754.db2.gz GYIUCXIFENACQP-ZOBUZTSGSA-N 1 0 326.440 4.173 20 10 EICDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000845957081 1048778149 /nfs/dbraw/zinc/77/81/49/1048778149.db2.gz QFZJTEGVXIZVRB-KRWDZBQOSA-N 1 0 348.494 4.406 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058315 1048796682 /nfs/dbraw/zinc/79/66/82/1048796682.db2.gz PWBSZVYPWFVMMY-OALUTQOASA-N 1 0 335.451 4.150 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)COC)cc1 ZINC000920868497 1048805785 /nfs/dbraw/zinc/80/57/85/1048805785.db2.gz YHCMPTLANSRNRA-SFHVURJKSA-N 1 0 326.484 4.085 20 10 EICDRO CCCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000920868379 1048806443 /nfs/dbraw/zinc/80/64/43/1048806443.db2.gz UAKFNXWEFMKILB-GOSISDBHSA-N 1 0 338.495 4.327 20 10 EICDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000846084202 1048810451 /nfs/dbraw/zinc/81/04/51/1048810451.db2.gz VOZNTPBBWXHNIX-ZWKOTPCHSA-N 1 0 339.435 4.052 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2SCCc3ccccc32)c1O ZINC000846151659 1048823719 /nfs/dbraw/zinc/82/37/19/1048823719.db2.gz ZYLAEXNGHORHEY-FZKQIMNGSA-N 1 0 329.465 4.082 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2sccc2Br)c1O ZINC000846150021 1048823810 /nfs/dbraw/zinc/82/38/10/1048823810.db2.gz WJRSZUKYMSJHQM-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO Oc1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816534970 1048825380 /nfs/dbraw/zinc/82/53/80/1048825380.db2.gz AQYLAIJIFAYRMI-QGZVFWFLSA-N 1 0 332.447 4.162 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816534971 1048825928 /nfs/dbraw/zinc/82/59/28/1048825928.db2.gz ASFKFBNKEYAHEU-UHFFFAOYSA-N 1 0 335.451 4.076 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)c1O ZINC000846159669 1048826014 /nfs/dbraw/zinc/82/60/14/1048826014.db2.gz MAXAMQGUIFYZMY-LRDDRELGSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)cc2)c1O ZINC000846161814 1048826483 /nfs/dbraw/zinc/82/64/83/1048826483.db2.gz HFLJVKRSYDGNEW-AWEZNQCLSA-N 1 0 329.440 4.429 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1O ZINC000846163313 1048826660 /nfs/dbraw/zinc/82/66/60/1048826660.db2.gz HUJZYKOXWAEPDT-WFASDCNBSA-N 1 0 339.357 4.398 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)c1O ZINC000846162898 1048827408 /nfs/dbraw/zinc/82/74/08/1048827408.db2.gz NOTPEVHREUQTHL-BLLLJJGKSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1O ZINC000846168841 1048827846 /nfs/dbraw/zinc/82/78/46/1048827846.db2.gz MPLUGNXUJXGJRZ-XJKCOSOUSA-N 1 0 333.453 4.033 20 10 EICDRO COC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846168519 1048828731 /nfs/dbraw/zinc/82/87/31/1048828731.db2.gz JWPBVDIGIKRLRF-HIFRSBDPSA-N 1 0 349.858 4.135 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)c1O ZINC000846136966 1048829092 /nfs/dbraw/zinc/82/90/92/1048829092.db2.gz OPVKYALJZCCVOX-JKSUJKDBSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCCOc2ccc(C)cc2)c1O ZINC000846140824 1048830403 /nfs/dbraw/zinc/83/04/03/1048830403.db2.gz FZYMUSIOMDNIDC-INIZCTEOSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000846140712 1048830971 /nfs/dbraw/zinc/83/09/71/1048830971.db2.gz ZTWBNZLTKNCGMA-KBPBESRZSA-N 1 0 345.439 4.138 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206701 1048832564 /nfs/dbraw/zinc/83/25/64/1048832564.db2.gz GHSJPOMLHHLCQC-PMACEKPBSA-N 1 0 349.478 4.459 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145848 1048832726 /nfs/dbraw/zinc/83/27/26/1048832726.db2.gz QPFUJRAWQQNJMZ-SCLBCKFNSA-N 1 0 339.439 4.325 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000846208750 1048833847 /nfs/dbraw/zinc/83/38/47/1048833847.db2.gz KQEWSPFCVGJUIP-INIZCTEOSA-N 1 0 342.458 4.076 20 10 EICDRO Oc1c(C[NH2+]CCc2cc(F)c(F)c(F)c2)ccc2ccccc21 ZINC000816566580 1048836397 /nfs/dbraw/zinc/83/63/97/1048836397.db2.gz ZMJBZWNHPBMYMU-UHFFFAOYSA-N 1 0 331.337 4.295 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1OC ZINC000816632157 1048852185 /nfs/dbraw/zinc/85/21/85/1048852185.db2.gz WSENMVOTMJXNBN-AWEZNQCLSA-N 1 0 347.842 4.052 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000817415719 1048966393 /nfs/dbraw/zinc/96/63/93/1048966393.db2.gz XIKZKNBOJMHBSS-RBUKOAKNSA-N 1 0 341.451 4.018 20 10 EICDRO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817585285 1049017098 /nfs/dbraw/zinc/01/70/98/1049017098.db2.gz FDTMFIVSWMNMSQ-VOMCLLRMSA-N 1 0 331.287 4.222 20 10 EICDRO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC001171288925 1049064262 /nfs/dbraw/zinc/06/42/62/1049064262.db2.gz NYUCBTGKGPXJEM-CHWSQXEVSA-N 1 0 331.843 4.262 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1O ZINC000817958838 1049066180 /nfs/dbraw/zinc/06/61/80/1049066180.db2.gz ZLXGTVLREQOTJA-INIZCTEOSA-N 1 0 349.272 4.020 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000817968108 1049072769 /nfs/dbraw/zinc/07/27/69/1049072769.db2.gz PDCCCJVTRBPQAN-LQAWEQHXSA-N 1 0 326.415 4.329 20 10 EICDRO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1O ZINC000817975857 1049075226 /nfs/dbraw/zinc/07/52/26/1049075226.db2.gz YRQUFUREPFISED-YCRPNKLZSA-N 1 0 332.447 4.083 20 10 EICDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000817982187 1049077653 /nfs/dbraw/zinc/07/76/53/1049077653.db2.gz ZKOSYGZLSAJVLO-GFCCVEGCSA-N 1 0 349.272 4.205 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985395 1049080036 /nfs/dbraw/zinc/08/00/36/1049080036.db2.gz JTPANQCURQXNOG-GHMZBOCLSA-N 1 0 329.271 4.024 20 10 EICDRO C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984818 1049080325 /nfs/dbraw/zinc/08/03/25/1049080325.db2.gz ANNMXHGZXNTRDA-QWRGUYRKSA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)ccc3F)C2)cc1 ZINC000818116675 1049091047 /nfs/dbraw/zinc/09/10/47/1049091047.db2.gz OIKMUUGPZLUGTC-CABCVRRESA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1cccc(C)c1O)CC2 ZINC001171298885 1049097375 /nfs/dbraw/zinc/09/73/75/1049097375.db2.gz KEYMZHBQZGUMOX-CQSZACIVSA-N 1 0 331.843 4.010 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Cl)cs3)C2)cc1 ZINC000818221022 1049111485 /nfs/dbraw/zinc/11/14/85/1049111485.db2.gz KOPTUPHYRKAZPM-CYBMUJFWSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccsc3Cl)C2)cc1 ZINC000818222939 1049113194 /nfs/dbraw/zinc/11/31/94/1049113194.db2.gz YRLQQTIBUCVKMA-CYBMUJFWSA-N 1 0 336.888 4.026 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(SC)s3)C2)cc1 ZINC000818222300 1049116153 /nfs/dbraw/zinc/11/61/53/1049116153.db2.gz SFEOEWNYBAGMBY-CQSZACIVSA-N 1 0 348.537 4.095 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1O ZINC000811513450 1049126262 /nfs/dbraw/zinc/12/62/62/1049126262.db2.gz IILXPOUWFLPGPX-SJORKVTESA-N 1 0 347.842 4.064 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000818342350 1049135940 /nfs/dbraw/zinc/13/59/40/1049135940.db2.gz PMDZEDGGKNUTIG-NVXWUHKLSA-N 1 0 328.456 4.082 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C2)cc1 ZINC000818342774 1049136257 /nfs/dbraw/zinc/13/62/57/1049136257.db2.gz VMJVQDZDOARSJL-HUUCEWRRSA-N 1 0 344.421 4.232 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CCc3ccsc3)C2)cc1 ZINC000818343172 1049136448 /nfs/dbraw/zinc/13/64/48/1049136448.db2.gz YZBPIDYZCZTAGC-AEFFLSMTSA-N 1 0 344.524 4.194 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C)s3)C2)cc1 ZINC000818345928 1049140408 /nfs/dbraw/zinc/14/04/08/1049140408.db2.gz YFNBKKVXVOCTNU-HZPDHXFCSA-N 1 0 330.497 4.242 20 10 EICDRO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001171337536 1049373352 /nfs/dbraw/zinc/37/33/52/1049373352.db2.gz SFDSDIHOYVLWKM-SFHVURJKSA-N 1 0 342.433 4.212 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)C3CCCCC3)cc2)CC1 ZINC000828635263 1049467690 /nfs/dbraw/zinc/46/76/90/1049467690.db2.gz DTYCJGNPFHSEFY-KRWDZBQOSA-N 1 0 330.516 4.360 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C3CCCCC3)cc2)CC1 ZINC000828635264 1049467810 /nfs/dbraw/zinc/46/78/10/1049467810.db2.gz DTYCJGNPFHSEFY-QGZVFWFLSA-N 1 0 330.516 4.360 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171351079 1049505862 /nfs/dbraw/zinc/50/58/62/1049505862.db2.gz RCBDSPBKUOCRIH-GOSISDBHSA-N 1 0 339.385 4.471 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773012554 1049524035 /nfs/dbraw/zinc/52/40/35/1049524035.db2.gz MCIPQXFOJFTKHY-RBUKOAKNSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000773044471 1049551856 /nfs/dbraw/zinc/55/18/56/1049551856.db2.gz PUGDJFQWYWYEON-UTKZUKDTSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000812735369 1049554652 /nfs/dbraw/zinc/55/46/52/1049554652.db2.gz CISBSNUUCXOCIF-MAUKXSAKSA-N 1 0 328.431 4.099 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000812735610 1049555517 /nfs/dbraw/zinc/55/55/17/1049555517.db2.gz DMINRRXTFWDTKC-JKSUJKDBSA-N 1 0 328.431 4.017 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000812736915 1049557727 /nfs/dbraw/zinc/55/77/27/1049557727.db2.gz PYOXHWWSKPLXRN-UONOGXRCSA-N 1 0 348.849 4.362 20 10 EICDRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773066993 1049560395 /nfs/dbraw/zinc/56/03/95/1049560395.db2.gz GWHZBZUBTDGHLQ-QGZVFWFLSA-N 1 0 342.458 4.130 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000820846549 1049567664 /nfs/dbraw/zinc/56/76/64/1049567664.db2.gz HUCXLBYEORKINW-MRVPVSSYSA-N 1 0 348.727 4.449 20 10 EICDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000773083101 1049568560 /nfs/dbraw/zinc/56/85/60/1049568560.db2.gz SFWCNKMIHZYEAM-OAHLLOKOSA-N 1 0 329.513 4.335 20 10 EICDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000773083803 1049569965 /nfs/dbraw/zinc/56/99/65/1049569965.db2.gz VXGFQDJRNLGRTK-CQSZACIVSA-N 1 0 347.503 4.474 20 10 EICDRO Cc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000747816867 1049575791 /nfs/dbraw/zinc/57/57/91/1049575791.db2.gz KKSIAGPSSLIPTA-GOSISDBHSA-N 1 0 341.499 4.241 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1 ZINC000773100307 1049582911 /nfs/dbraw/zinc/58/29/11/1049582911.db2.gz UCYHCWYKPYNINC-DYESRHJHSA-N 1 0 338.495 4.307 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000773136533 1049597961 /nfs/dbraw/zinc/59/79/61/1049597961.db2.gz NXFNQGVWQOMCQX-HNONPPJISA-N 1 0 336.570 4.173 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCCSCC(C)C)CC2)cc1 ZINC000812840368 1049605228 /nfs/dbraw/zinc/60/52/28/1049605228.db2.gz UQOLGABXZSCQPL-UHFFFAOYSA-N 1 0 336.545 4.033 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(Cl)c(C)c3)CC2)cc1 ZINC000812842268 1049605256 /nfs/dbraw/zinc/60/52/56/1049605256.db2.gz SARCWCFHRBHBIT-UHFFFAOYSA-N 1 0 344.886 4.416 20 10 EICDRO COc1cc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000179440220 1049607018 /nfs/dbraw/zinc/60/70/18/1049607018.db2.gz KIHJFJJVBYPTBO-UHFFFAOYSA-N 1 0 345.414 4.108 20 10 EICDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773142643 1049608103 /nfs/dbraw/zinc/60/81/03/1049608103.db2.gz ZDDXHILBSSUXGK-SJORKVTESA-N 1 0 342.483 4.127 20 10 EICDRO Oc1ccccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179568808 1049677092 /nfs/dbraw/zinc/67/70/92/1049677092.db2.gz LCRBMZYOWFTGQW-UHFFFAOYSA-N 1 0 336.410 4.171 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000179649549 1049706565 /nfs/dbraw/zinc/70/65/65/1049706565.db2.gz DIAVKHGJVCTVMB-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(-c3cccs3)s2)c1 ZINC000813331437 1049753278 /nfs/dbraw/zinc/75/32/78/1049753278.db2.gz OXOSMGFAHLQIDL-NSHDSACASA-N 1 0 346.477 4.437 20 10 EICDRO CCCn1c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000813331809 1049753363 /nfs/dbraw/zinc/75/33/63/1049753363.db2.gz VNHRXYXBHVJJJB-AWEZNQCLSA-N 1 0 339.439 4.011 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170706315 1049768178 /nfs/dbraw/zinc/76/81/78/1049768178.db2.gz BAQWIFUEQLJFCQ-SFHVURJKSA-N 1 0 330.422 4.020 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H]2CCCc3ccccc32)ccc1OC ZINC000747853707 1049768774 /nfs/dbraw/zinc/76/87/74/1049768774.db2.gz CCAWIPGYQZZHRD-LJQANCHMSA-N 1 0 339.479 4.441 20 10 EICDRO Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000813856618 1049823893 /nfs/dbraw/zinc/82/38/93/1049823893.db2.gz KFJMTFLEUGGDBV-OXQOHEQNSA-N 1 0 341.426 4.018 20 10 EICDRO Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000813856614 1049824191 /nfs/dbraw/zinc/82/41/91/1049824191.db2.gz KFJMTFLEUGGDBV-JXFKEZNVSA-N 1 0 341.426 4.018 20 10 EICDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2cccc(O)c2C1 ZINC001171966083 1049826419 /nfs/dbraw/zinc/82/64/19/1049826419.db2.gz NVMUZMRHGLAFDV-CYBMUJFWSA-N 1 0 335.369 4.400 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CSc2ccccc2C1 ZINC001172201865 1049863822 /nfs/dbraw/zinc/86/38/22/1049863822.db2.gz KKRWNGBVBVUJNA-FQEVSTJZSA-N 1 0 338.520 4.436 20 10 EICDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823944021 1049888587 /nfs/dbraw/zinc/88/85/87/1049888587.db2.gz RNOLUTIXBPAHNK-FUHWJXTLSA-N 1 0 346.540 4.271 20 10 EICDRO COCC1=CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824195695 1049905501 /nfs/dbraw/zinc/90/55/01/1049905501.db2.gz JNLVYKCSCWDCTQ-UHFFFAOYSA-N 1 0 342.508 4.163 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000824215173 1049906158 /nfs/dbraw/zinc/90/61/58/1049906158.db2.gz MYYFQPZMECSIRU-PXNSSMCTSA-N 1 0 344.524 4.025 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(Br)cc2)c(Cl)c1 ZINC001177511544 1050233356 /nfs/dbraw/zinc/23/33/56/1050233356.db2.gz YDSDAHYMHUBQKU-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO COC1(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)CCCCC1 ZINC001177733377 1050288170 /nfs/dbraw/zinc/28/81/70/1050288170.db2.gz KNHLNNMZMDMXLS-UHFFFAOYSA-N 1 0 330.516 4.362 20 10 EICDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1O ZINC001173084447 1050296362 /nfs/dbraw/zinc/29/63/62/1050296362.db2.gz BPXZQPBCJNWUIJ-CYBMUJFWSA-N 1 0 339.357 4.354 20 10 EICDRO CC[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Oc1cccc(F)c1 ZINC001177943259 1050341398 /nfs/dbraw/zinc/34/13/98/1050341398.db2.gz PVFQYPAJZIPMIC-PXDRNWIDSA-N 1 0 342.458 4.352 20 10 EICDRO Cc1cc(C)c(C[NH2+]C2CCC(Oc3ccccc3)CC2)c(O)c1 ZINC001173197286 1050342218 /nfs/dbraw/zinc/34/22/18/1050342218.db2.gz BXHRWRHIOLMFMS-UHFFFAOYSA-N 1 0 325.452 4.489 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cc1Cn1cccn1 ZINC001177949924 1050346202 /nfs/dbraw/zinc/34/62/02/1050346202.db2.gz UFEOYVFAWQMLML-APWZRJJASA-N 1 0 341.499 4.244 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC2(CCOC)CCCC2)cc1F ZINC001177972630 1050357998 /nfs/dbraw/zinc/35/79/98/1050357998.db2.gz RRJHUTGDHGOJCD-UHFFFAOYSA-N 1 0 336.495 4.358 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC001178532770 1050493854 /nfs/dbraw/zinc/49/38/54/1050493854.db2.gz XHGGWAKMQQDHKX-AVRDEDQJSA-N 1 0 339.527 4.314 20 10 EICDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC001178773579 1050561376 /nfs/dbraw/zinc/56/13/76/1050561376.db2.gz AGFGAGURPHIXEZ-RTWAWAEBSA-N 1 0 332.532 4.056 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001178971136 1050601558 /nfs/dbraw/zinc/60/15/58/1050601558.db2.gz DECBXEYWZNRPIF-HNNXBMFYSA-N 1 0 343.540 4.117 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000775141193 1050607539 /nfs/dbraw/zinc/60/75/39/1050607539.db2.gz YIDHEPUHIMGFSP-MRXNPFEDSA-N 1 0 342.483 4.010 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000775141192 1050607905 /nfs/dbraw/zinc/60/79/05/1050607905.db2.gz YIDHEPUHIMGFSP-INIZCTEOSA-N 1 0 342.483 4.010 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CCc1ccc(OC)c(O)c1 ZINC000775140978 1050607997 /nfs/dbraw/zinc/60/79/97/1050607997.db2.gz RWCJJKSVQYSBJQ-MRXNPFEDSA-N 1 0 342.483 4.097 20 10 EICDRO COc1ccccc1CN(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237082815 1050661467 /nfs/dbraw/zinc/66/14/67/1050661467.db2.gz VDZOLECOMNILNE-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO Cc1cc(CC[NH2+]Cc2cnn3ccccc23)c(C)n1-c1ccccc1 ZINC001179294987 1050664848 /nfs/dbraw/zinc/66/48/48/1050664848.db2.gz IQTLORXHWVJGQB-UHFFFAOYSA-N 1 0 344.462 4.074 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001179559382 1050724598 /nfs/dbraw/zinc/72/45/98/1050724598.db2.gz GWPVQJKXAJHXQN-SJORKVTESA-N 1 0 344.421 4.122 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001179788746 1050777033 /nfs/dbraw/zinc/77/70/33/1050777033.db2.gz DOJUKMOJNSBEFK-HJPURHCSSA-N 1 0 348.490 4.361 20 10 EICDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001179845393 1050798153 /nfs/dbraw/zinc/79/81/53/1050798153.db2.gz SDMYUVTUYVQMFX-MRXNPFEDSA-N 1 0 344.474 4.211 20 10 EICDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001179979475 1050839669 /nfs/dbraw/zinc/83/96/69/1050839669.db2.gz GKFKAPIWHNXYCG-UHFFFAOYSA-N 1 0 331.843 4.393 20 10 EICDRO C[C@@H](C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O)c1nccs1 ZINC000182840355 1050847171 /nfs/dbraw/zinc/84/71/71/1050847171.db2.gz WWNQPLSHJPSJGO-LBPRGKRZSA-N 1 0 334.485 4.087 20 10 EICDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001179967106 1050850093 /nfs/dbraw/zinc/85/00/93/1050850093.db2.gz YDWYULXONHGCSL-INIZCTEOSA-N 1 0 349.833 4.400 20 10 EICDRO Nc1ccc(CCc2ccc(Nc3ccc4[nH+]ccn4c3)cc2)cc1 ZINC001174278333 1050877255 /nfs/dbraw/zinc/87/72/55/1050877255.db2.gz ACWQNGXOSBQXHF-UHFFFAOYSA-N 1 0 328.419 4.445 20 10 EICDRO COc1cc(C[N@H+](C)C2Cc3ccccc3C2)c(O)c(C(C)(C)C)c1 ZINC001180172821 1050892750 /nfs/dbraw/zinc/89/27/50/1050892750.db2.gz BIPYACDOFNKPFQ-UHFFFAOYSA-N 1 0 339.479 4.298 20 10 EICDRO CCc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154800 1050900780 /nfs/dbraw/zinc/90/07/80/1050900780.db2.gz XQAVJOXADSLTKY-OXJNMPFZSA-N 1 0 325.452 4.225 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001180289287 1050955065 /nfs/dbraw/zinc/95/50/65/1050955065.db2.gz YSEZUMSMUVTSEQ-RXVVDRJESA-N 1 0 338.495 4.186 20 10 EICDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000773857630 1050994593 /nfs/dbraw/zinc/99/45/93/1050994593.db2.gz KZBBCUGJRMENHV-UHFFFAOYSA-N 1 0 336.483 4.054 20 10 EICDRO CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001180818653 1051090916 /nfs/dbraw/zinc/09/09/16/1051090916.db2.gz CEPGYVYUILLMJK-UHFFFAOYSA-N 1 0 338.923 4.380 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000775365197 1051135237 /nfs/dbraw/zinc/13/52/37/1051135237.db2.gz PETNYYMCVNVBFC-HXUWFJFHSA-N 1 0 336.483 4.111 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)cc1C ZINC001181066048 1051139997 /nfs/dbraw/zinc/13/99/97/1051139997.db2.gz QMEPMTXLTVXFFO-UHFFFAOYSA-N 1 0 337.467 4.269 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1OCC ZINC000775369851 1051143372 /nfs/dbraw/zinc/14/33/72/1051143372.db2.gz ABQAIXKTSIEXPQ-CQSZACIVSA-N 1 0 345.439 4.049 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)c(O)c1OC ZINC001181090005 1051146775 /nfs/dbraw/zinc/14/67/75/1051146775.db2.gz XJAILLFVAWYLPW-OAHLLOKOSA-N 1 0 333.472 4.202 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc3ccccc32)c1 ZINC000775372654 1051153099 /nfs/dbraw/zinc/15/30/99/1051153099.db2.gz FMXSEHMJAGJAKS-OAHLLOKOSA-N 1 0 337.419 4.284 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(-c3ccc(C)o3)n2)c1 ZINC000775375047 1051161883 /nfs/dbraw/zinc/16/18/83/1051161883.db2.gz HZQBWWLEFOQNKE-LBPRGKRZSA-N 1 0 344.436 4.277 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1O ZINC001181214268 1051186753 /nfs/dbraw/zinc/18/67/53/1051186753.db2.gz UIPAFDAMGBTSMS-SFHVURJKSA-N 1 0 335.806 4.125 20 10 EICDRO C[NH+](C)Cc1cc(NCc2ccc(Cl)cc2O)ccc1Cl ZINC001181255724 1051200759 /nfs/dbraw/zinc/20/07/59/1051200759.db2.gz NXNJHLRZOBRPED-UHFFFAOYSA-N 1 0 325.239 4.373 20 10 EICDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001181400733 1051226850 /nfs/dbraw/zinc/22/68/50/1051226850.db2.gz WASVLDQCIMHMJN-FQEVSTJZSA-N 1 0 344.524 4.385 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CCOC)[C@H](C)c2ccccc2)cc1 ZINC001190635859 1051241433 /nfs/dbraw/zinc/24/14/33/1051241433.db2.gz SDIZSEPVMIAROC-GOSISDBHSA-N 1 0 326.484 4.352 20 10 EICDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000773430318 1051260844 /nfs/dbraw/zinc/26/08/44/1051260844.db2.gz XUULWSDYYDFNKJ-OAHLLOKOSA-N 1 0 329.463 4.480 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1ccc(OC)c(OC)c1 ZINC001181656554 1051272744 /nfs/dbraw/zinc/27/27/44/1051272744.db2.gz SJWPSNLUNGADPY-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c1 ZINC001181674866 1051276648 /nfs/dbraw/zinc/27/66/48/1051276648.db2.gz PRIPIAMOLQAAQS-BEFAXECRSA-N 1 0 341.451 4.383 20 10 EICDRO Cc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)ccc1N1CCCCC1 ZINC001191143299 1051378517 /nfs/dbraw/zinc/37/85/17/1051378517.db2.gz CQRKCEJJPOPNBI-JOCHJYFZSA-N 1 0 344.543 4.406 20 10 EICDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001182237950 1051445111 /nfs/dbraw/zinc/44/51/11/1051445111.db2.gz HIEFUYBGSDPFQC-LSDHHAIUSA-N 1 0 340.458 4.106 20 10 EICDRO CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774110615 1051458770 /nfs/dbraw/zinc/45/87/70/1051458770.db2.gz FBXCKMRKZPGCQB-NSHDSACASA-N 1 0 331.287 4.224 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CC)[C@@H](COC)Cc2ccccc2)cc1 ZINC001191454270 1051460306 /nfs/dbraw/zinc/46/03/06/1051460306.db2.gz MVGZVTYQMBCRNZ-JOCHJYFZSA-N 1 0 340.511 4.222 20 10 EICDRO C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000774133111 1051478015 /nfs/dbraw/zinc/47/80/15/1051478015.db2.gz WKIFMHNRVYTRSB-VXGBXAGGSA-N 1 0 331.287 4.082 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774188933 1051492919 /nfs/dbraw/zinc/49/29/19/1051492919.db2.gz KRUMNDCNQTVBNB-HXUWFJFHSA-N 1 0 339.439 4.136 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1O ZINC000775487024 1051560335 /nfs/dbraw/zinc/56/03/35/1051560335.db2.gz GCKRSAIIKKXFIS-SFHVURJKSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1cc(Cl)ccc1O ZINC000775491285 1051571298 /nfs/dbraw/zinc/57/12/98/1051571298.db2.gz HMUILYLALHVJDK-MRXNPFEDSA-N 1 0 349.858 4.346 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)c1O ZINC001182452864 1051579986 /nfs/dbraw/zinc/57/99/86/1051579986.db2.gz PSKAJZAMSSOWQN-NRFANRHFSA-N 1 0 343.442 4.446 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc2c(cc1O)CCCC2 ZINC000774446870 1051595105 /nfs/dbraw/zinc/59/51/05/1051595105.db2.gz UWYDZURXQWFDCU-HNNXBMFYSA-N 1 0 336.479 4.396 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1cc(Cl)ccc1O ZINC000775493893 1051601160 /nfs/dbraw/zinc/60/11/60/1051601160.db2.gz WHBPMGGXOOKECM-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO CCCCn1cc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774472251 1051605342 /nfs/dbraw/zinc/60/53/42/1051605342.db2.gz NDQUJPTYGSLZMD-FQEVSTJZSA-N 1 0 328.504 4.299 20 10 EICDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484017 1051610273 /nfs/dbraw/zinc/61/02/73/1051610273.db2.gz RRVGLIVHBSCESX-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO CN(CC[N@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC001192012035 1051611768 /nfs/dbraw/zinc/61/17/68/1051611768.db2.gz FZBNKDSTBRIJDC-UHFFFAOYSA-N 1 0 336.435 4.124 20 10 EICDRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774485407 1051613934 /nfs/dbraw/zinc/61/39/34/1051613934.db2.gz UXBYBGQHPMBMHL-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1cc(Cl)ccc1O ZINC000775497681 1051617313 /nfs/dbraw/zinc/61/73/13/1051617313.db2.gz BUOLYGDVHIGCPS-MRXNPFEDSA-N 1 0 329.831 4.243 20 10 EICDRO CCOc1cc(CCC[NH2+][C@H](CC)c2ccccc2O)ccc1OC ZINC000775508764 1051639359 /nfs/dbraw/zinc/63/93/59/1051639359.db2.gz GEVNADHZZLZOOQ-GOSISDBHSA-N 1 0 343.467 4.473 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1O ZINC000775508381 1051641114 /nfs/dbraw/zinc/64/11/14/1051641114.db2.gz UJMVRRIDXBCFEJ-JXFKEZNVSA-N 1 0 340.467 4.111 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1OC ZINC001175522377 1051648680 /nfs/dbraw/zinc/64/86/80/1051648680.db2.gz GGPQVOCCEBZPEV-GOSISDBHSA-N 1 0 342.483 4.319 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](=O)CC)C1)c1cc(Cl)ccc1O ZINC000775513480 1051650513 /nfs/dbraw/zinc/65/05/13/1051650513.db2.gz ZQEAVCGDRNCCBO-UWAQFDASSA-N 1 0 343.920 4.166 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(C(F)(F)F)c1 ZINC001182755510 1051685556 /nfs/dbraw/zinc/68/55/56/1051685556.db2.gz SGZGUEBUBMCPAA-UHFFFAOYSA-N 1 0 348.359 4.393 20 10 EICDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCc2ccccc21 ZINC001182734172 1051691474 /nfs/dbraw/zinc/69/14/74/1051691474.db2.gz PFDBOIZBJYXGHL-ZDUSSCGKSA-N 1 0 346.268 4.317 20 10 EICDRO CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1O ZINC000775522503 1051694730 /nfs/dbraw/zinc/69/47/30/1051694730.db2.gz RIURVKIXFAWGAE-RRQGHBQHSA-N 1 0 325.880 4.418 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000775525182 1051706860 /nfs/dbraw/zinc/70/68/60/1051706860.db2.gz YFWOLDRMPHIMAH-OFQRWUPVSA-N 1 0 342.277 4.153 20 10 EICDRO CC[C@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccccc1O ZINC000775526253 1051712153 /nfs/dbraw/zinc/71/21/53/1051712153.db2.gz POSUDLOPNSASNF-SFHVURJKSA-N 1 0 329.440 4.083 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1O ZINC000775527649 1051721441 /nfs/dbraw/zinc/72/14/41/1051721441.db2.gz RVAGYKFNIBIHJE-ZBFHGGJFSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775531595 1051747756 /nfs/dbraw/zinc/74/77/56/1051747756.db2.gz IHRBATRLFJZSMN-CQSZACIVSA-N 1 0 329.271 4.002 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(Cl)ccc1O ZINC000775540538 1051790975 /nfs/dbraw/zinc/79/09/75/1051790975.db2.gz LQPUUXCEINPNDP-OXXUSNJHSA-N 1 0 335.875 4.434 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639951 1051854091 /nfs/dbraw/zinc/85/40/91/1051854091.db2.gz NRHPHIJRZYYYRE-CQSZACIVSA-N 1 0 331.412 4.053 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775580489 1051885290 /nfs/dbraw/zinc/88/52/90/1051885290.db2.gz CHIOZNQTSOEEIH-GJZGRUSLSA-N 1 0 327.428 4.381 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CC2CCC1CC2 ZINC001184217568 1051969403 /nfs/dbraw/zinc/96/94/03/1051969403.db2.gz GUUAVOJRUGTKKJ-AQIVUGBVSA-N 1 0 343.559 4.160 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1O ZINC000184581103 1052086419 /nfs/dbraw/zinc/08/64/19/1052086419.db2.gz ADVMPOHVCGHZMC-OPAMFIHVSA-N 1 0 333.431 4.443 20 10 EICDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000780714307 1052164486 /nfs/dbraw/zinc/16/44/86/1052164486.db2.gz RHAHEWAMXMETCQ-INIZCTEOSA-N 1 0 341.524 4.048 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c1 ZINC000184910315 1052294557 /nfs/dbraw/zinc/29/45/57/1052294557.db2.gz GUMKARBUOTUETL-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cc1F ZINC000184927797 1052314488 /nfs/dbraw/zinc/31/44/88/1052314488.db2.gz IHVSQJIWIYJWOQ-CYBMUJFWSA-N 1 0 329.415 4.270 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185045698 1052378355 /nfs/dbraw/zinc/37/83/55/1052378355.db2.gz ICPKBCKVQLCWGS-CYBMUJFWSA-N 1 0 330.403 4.121 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000185062385 1052388809 /nfs/dbraw/zinc/38/88/09/1052388809.db2.gz KSRFZMOOOXAGFC-HXUWFJFHSA-N 1 0 341.524 4.266 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000185128670 1052449166 /nfs/dbraw/zinc/44/91/66/1052449166.db2.gz QBNLHJAQNSBLAC-HOTGVXAUSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000185128940 1052449251 /nfs/dbraw/zinc/44/92/51/1052449251.db2.gz RCRLSYUOCSHIIH-JKSUJKDBSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185156821 1052494128 /nfs/dbraw/zinc/49/41/28/1052494128.db2.gz YRNPNNKGMUQEPL-CVEARBPZSA-N 1 0 338.451 4.239 20 10 EICDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000185177383 1052511343 /nfs/dbraw/zinc/51/13/43/1052511343.db2.gz ZGTDMCKTIFWWDX-HNNXBMFYSA-N 1 0 348.446 4.146 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c(O)c1 ZINC000185318550 1052580862 /nfs/dbraw/zinc/58/08/62/1052580862.db2.gz XUIWMRNRCHZWJS-AWEZNQCLSA-N 1 0 330.497 4.319 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000185546520 1052635455 /nfs/dbraw/zinc/63/54/55/1052635455.db2.gz KGPHZTMYYJQCJB-FTRWYGJKSA-N 1 0 344.524 4.496 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(F)ccc1O ZINC000185546843 1052636380 /nfs/dbraw/zinc/63/63/80/1052636380.db2.gz ZGCHANKRUBEJDZ-NJSLBKSFSA-N 1 0 348.487 4.327 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(-n2cccn2)cc1 ZINC000185612216 1052657627 /nfs/dbraw/zinc/65/76/27/1052657627.db2.gz NHUNUIROTBCECC-KGLIPLIRSA-N 1 0 325.387 4.129 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC000185658728 1052666685 /nfs/dbraw/zinc/66/66/85/1052666685.db2.gz OMMRERIDZPWGKA-WSTZPKSXSA-N 1 0 338.495 4.404 20 10 EICDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185836766 1052778142 /nfs/dbraw/zinc/77/81/42/1052778142.db2.gz BFLLBZGGWRJWJM-GLJUWKHASA-N 1 0 325.408 4.301 20 10 EICDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000185999024 1052844064 /nfs/dbraw/zinc/84/40/64/1052844064.db2.gz FHNYJIWIGVHDLK-MAUKXSAKSA-N 1 0 327.424 4.046 20 10 EICDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2ccccc2c1O ZINC000186080195 1052864532 /nfs/dbraw/zinc/86/45/32/1052864532.db2.gz YDLOQKACEHCUNZ-HNNXBMFYSA-N 1 0 332.403 4.147 20 10 EICDRO COc1cncc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC000850096022 1053071626 /nfs/dbraw/zinc/07/16/26/1053071626.db2.gz OLMCFRMBPMHWSP-UHFFFAOYSA-N 1 0 339.483 4.149 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCc3c2cccc3O)c(O)c(C(C)(C)C)c1 ZINC000850121849 1053075543 /nfs/dbraw/zinc/07/55/43/1053075543.db2.gz ZFMWWTWOUPIJRW-SFHVURJKSA-N 1 0 341.451 4.181 20 10 EICDRO COc1cc(C[NH2+]C[C@@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850222199 1053092418 /nfs/dbraw/zinc/09/24/18/1053092418.db2.gz SMACYZCTQLGIPJ-GFCCVEGCSA-N 1 0 346.471 4.196 20 10 EICDRO C[C@H]([NH2+]CCC1=CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764435243 1053099622 /nfs/dbraw/zinc/09/96/22/1053099622.db2.gz YREBJXMDBXCVCX-INIZCTEOSA-N 1 0 332.463 4.203 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884076 1053145426 /nfs/dbraw/zinc/14/54/26/1053145426.db2.gz XFYBJOVWMXREGU-SFTDATJTSA-N 1 0 338.495 4.431 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391075 1053157884 /nfs/dbraw/zinc/15/78/84/1053157884.db2.gz CXIYAYUKVJXHMF-UHFFFAOYSA-N 1 0 346.215 4.212 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000850406431 1053174637 /nfs/dbraw/zinc/17/46/37/1053174637.db2.gz GSCHKMJFYXJHCA-HNNXBMFYSA-N 1 0 344.886 4.152 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000764528853 1053175553 /nfs/dbraw/zinc/17/55/53/1053175553.db2.gz VWKYBOZWQOJOCQ-FXAWDEMLSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C(C)(C)C(F)F ZINC000850426084 1053201513 /nfs/dbraw/zinc/20/15/13/1053201513.db2.gz ZXPSGPWMNJOWSN-ZDUSSCGKSA-N 1 0 328.472 4.009 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850482221 1053251083 /nfs/dbraw/zinc/25/10/83/1053251083.db2.gz MVXDOESSUVPULJ-STQMWFEESA-N 1 0 349.272 4.312 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850482218 1053253510 /nfs/dbraw/zinc/25/35/10/1053253510.db2.gz MVXDOESSUVPULJ-OLZOCXBDSA-N 1 0 349.272 4.312 20 10 EICDRO CC[C@@H]([NH2+]CCc1cnccc1C)c1cc(Br)ccc1O ZINC000850505877 1053262587 /nfs/dbraw/zinc/26/25/87/1053262587.db2.gz BXOMRMGPFFSGAM-MRXNPFEDSA-N 1 0 349.272 4.142 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513804 1053272438 /nfs/dbraw/zinc/27/24/38/1053272438.db2.gz JPVVBKNTSMBTCI-DNVCBOLYSA-N 1 0 329.440 4.056 20 10 EICDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850526193 1053286807 /nfs/dbraw/zinc/28/68/07/1053286807.db2.gz UADGQMQONCAYDX-DOTOQJQBSA-N 1 0 332.463 4.178 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000764750612 1053294098 /nfs/dbraw/zinc/29/40/98/1053294098.db2.gz VYHHPFGOYXLOOM-KUHUBIRLSA-N 1 0 332.875 4.180 20 10 EICDRO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N2CCCCC2)cc1 ZINC000850535011 1053298524 /nfs/dbraw/zinc/29/85/24/1053298524.db2.gz POLFXDCPHGRKRF-MRXNPFEDSA-N 1 0 338.499 4.139 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Br)ccc1O ZINC000850543273 1053303798 /nfs/dbraw/zinc/30/37/98/1053303798.db2.gz HDPBPQQXAWWXGK-MGPLVRAMSA-N 1 0 348.240 4.198 20 10 EICDRO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850552967 1053305899 /nfs/dbraw/zinc/30/58/99/1053305899.db2.gz QWDKSYNJTJXSBO-ABIUDSBCSA-N 1 0 331.378 4.003 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000850549660 1053306478 /nfs/dbraw/zinc/30/64/78/1053306478.db2.gz IRKIZMOLTUFVBX-GFCCVEGCSA-N 1 0 333.863 4.206 20 10 EICDRO CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850552971 1053308068 /nfs/dbraw/zinc/30/80/68/1053308068.db2.gz QWDKSYNJTJXSBO-HGMXIMQMSA-N 1 0 331.378 4.003 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c(O)c1C ZINC000850554428 1053308549 /nfs/dbraw/zinc/30/85/49/1053308549.db2.gz JKCZPSQJLJSFKV-FFZOFVMBSA-N 1 0 327.468 4.418 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000850553816 1053309308 /nfs/dbraw/zinc/30/93/08/1053309308.db2.gz DCGYVSNDWGHJCL-GRERDSQWSA-N 1 0 339.479 4.207 20 10 EICDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553940 1053309671 /nfs/dbraw/zinc/30/96/71/1053309671.db2.gz FIYRGNQUKLCFQC-NDXORKPFSA-N 1 0 326.484 4.161 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)s1 ZINC000850565838 1053320803 /nfs/dbraw/zinc/32/08/03/1053320803.db2.gz IECZMFAGQUGVSU-OAHLLOKOSA-N 1 0 344.524 4.177 20 10 EICDRO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC000764902604 1053365048 /nfs/dbraw/zinc/36/50/48/1053365048.db2.gz NZNGSIXNNVTAPS-LJQANCHMSA-N 1 0 326.871 4.197 20 10 EICDRO CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794801872 1053384242 /nfs/dbraw/zinc/38/42/42/1053384242.db2.gz LFDVYSNLUXFWCP-GOSISDBHSA-N 1 0 343.467 4.391 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1O ZINC000794793385 1053386374 /nfs/dbraw/zinc/38/63/74/1053386374.db2.gz BEEURHIOASLZQU-KDOFPFPSSA-N 1 0 338.451 4.387 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1O ZINC000794804987 1053391090 /nfs/dbraw/zinc/39/10/90/1053391090.db2.gz OPICOQQPUCOLFX-OALUTQOASA-N 1 0 342.483 4.480 20 10 EICDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775651502 1053396809 /nfs/dbraw/zinc/39/68/09/1053396809.db2.gz PFORRAVPMZNYKG-UHFFFAOYSA-N 1 0 332.787 4.118 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1O ZINC000794803657 1053399108 /nfs/dbraw/zinc/39/91/08/1053399108.db2.gz RFGIVNIRWWDCPX-FPOVZHCZSA-N 1 0 343.467 4.262 20 10 EICDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423024 1053412702 /nfs/dbraw/zinc/41/27/02/1053412702.db2.gz BTGBCVRMOVOBTP-CTNGQTDRSA-N 1 0 342.527 4.171 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000765049703 1053429775 /nfs/dbraw/zinc/42/97/75/1053429775.db2.gz RHOAMDUSMWBOJS-INIZCTEOSA-N 1 0 339.483 4.342 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000794826431 1053430261 /nfs/dbraw/zinc/43/02/61/1053430261.db2.gz SGARZEOETVTXBP-NQIIRXRSSA-N 1 0 340.511 4.441 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000765047799 1053430565 /nfs/dbraw/zinc/43/05/65/1053430565.db2.gz BRLGDWHQHFYDBJ-HXUWFJFHSA-N 1 0 339.483 4.342 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000765047797 1053430697 /nfs/dbraw/zinc/43/06/97/1053430697.db2.gz BRLGDWHQHFYDBJ-FQEVSTJZSA-N 1 0 339.483 4.342 20 10 EICDRO CCC[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000775667243 1053451565 /nfs/dbraw/zinc/45/15/65/1053451565.db2.gz GLRDGELFSHSGQR-UHFFFAOYSA-N 1 0 341.480 4.391 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000794836010 1053473380 /nfs/dbraw/zinc/47/33/80/1053473380.db2.gz RIGXNWOJTJYDJT-FXAWDEMLSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000765272294 1053485225 /nfs/dbraw/zinc/48/52/25/1053485225.db2.gz QQMWCAOIDYNOKP-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765299067 1053496889 /nfs/dbraw/zinc/49/68/89/1053496889.db2.gz ZMNWVIIJDJGULO-UWJYYQICSA-N 1 0 332.532 4.200 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cnc2ccccc2n1 ZINC000851717320 1053507292 /nfs/dbraw/zinc/50/72/92/1053507292.db2.gz WQBULJIHRUYFPD-UHFFFAOYSA-N 1 0 346.478 4.252 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862489 1053508398 /nfs/dbraw/zinc/50/83/98/1053508398.db2.gz MCNAKODYHJMAGU-VQTJNVASSA-N 1 0 330.516 4.375 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000775710458 1053642939 /nfs/dbraw/zinc/64/29/39/1053642939.db2.gz KVLHUHDQWZXUDL-AUUYWEPGSA-N 1 0 329.465 4.079 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242819 1053659492 /nfs/dbraw/zinc/65/94/92/1053659492.db2.gz SSJMCUUCDWIUHC-MSOLQXFVSA-N 1 0 333.435 4.306 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000853243112 1053660383 /nfs/dbraw/zinc/66/03/83/1053660383.db2.gz XTJZSZIDZZLLHW-UONOGXRCSA-N 1 0 327.424 4.138 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000775720572 1053694887 /nfs/dbraw/zinc/69/48/87/1053694887.db2.gz MHUJGFMPHFESHV-KRWDZBQOSA-N 1 0 345.870 4.393 20 10 EICDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000775726099 1053696073 /nfs/dbraw/zinc/69/60/73/1053696073.db2.gz WHEIXEBFNJMTPM-SFHVURJKSA-N 1 0 343.467 4.171 20 10 EICDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614398 1053712918 /nfs/dbraw/zinc/71/29/18/1053712918.db2.gz OFQVVEBDNHXIBR-GNAXCBTBSA-N 1 0 342.527 4.480 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866408754 1053717892 /nfs/dbraw/zinc/71/78/92/1053717892.db2.gz DEZKNBKDDUKTJP-IAGOWNOFSA-N 1 0 337.822 4.349 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000121085777 1053754835 /nfs/dbraw/zinc/75/48/35/1053754835.db2.gz PVHLWGMKTBSBDG-NVXWUHKLSA-N 1 0 339.357 4.185 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1O ZINC000866530234 1053769769 /nfs/dbraw/zinc/76/97/69/1053769769.db2.gz ZGOJBYYTMCVXOD-WBVHZDCISA-N 1 0 325.452 4.403 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000854217488 1053783089 /nfs/dbraw/zinc/78/30/89/1053783089.db2.gz MVEUSTZJXNJSRZ-HNNXBMFYSA-N 1 0 327.447 4.249 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000866569507 1053791561 /nfs/dbraw/zinc/79/15/61/1053791561.db2.gz WMLBCBNDEMYBTL-CYBMUJFWSA-N 1 0 348.288 4.151 20 10 EICDRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCCO2 ZINC000765607930 1053803072 /nfs/dbraw/zinc/80/30/72/1053803072.db2.gz FTNBNWVEAICKSG-QGZVFWFLSA-N 1 0 329.827 4.278 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCCC2)cc1 ZINC000765610497 1053806450 /nfs/dbraw/zinc/80/64/50/1053806450.db2.gz VMXITAMWQMWZKR-QGZVFWFLSA-N 1 0 336.479 4.463 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000765619402 1053816192 /nfs/dbraw/zinc/81/61/92/1053816192.db2.gz JINYCGQZTXTVPF-MRXNPFEDSA-N 1 0 342.458 4.415 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000121227243 1053824515 /nfs/dbraw/zinc/82/45/15/1053824515.db2.gz YKWPKYUTOKHTKK-UHFFFAOYSA-N 1 0 336.435 4.200 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001197104601 1053837944 /nfs/dbraw/zinc/83/79/44/1053837944.db2.gz ILQIPXGCUBUALG-ROUUACIJSA-N 1 0 346.515 4.042 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000121832119 1053850820 /nfs/dbraw/zinc/85/08/20/1053850820.db2.gz HIBBKXNGULUDJA-DLBZAZTESA-N 1 0 334.467 4.350 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000122759044 1054031708 /nfs/dbraw/zinc/03/17/08/1054031708.db2.gz PJMOQGSGIMFESH-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000122765127 1054035482 /nfs/dbraw/zinc/03/54/82/1054035482.db2.gz XXKYUURTSPBTPG-LJQANCHMSA-N 1 0 327.428 4.210 20 10 EICDRO CCCc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000856767273 1054104923 /nfs/dbraw/zinc/10/49/23/1054104923.db2.gz KXOYZIWBQINKBR-INIZCTEOSA-N 1 0 344.524 4.388 20 10 EICDRO CN(c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1)C1CCCCC1 ZINC000857851132 1054371664 /nfs/dbraw/zinc/37/16/64/1054371664.db2.gz IDFHPZMNUYUPJP-HXUWFJFHSA-N 1 0 338.499 4.346 20 10 EICDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000858100807 1054417278 /nfs/dbraw/zinc/41/72/78/1054417278.db2.gz NOUFQTSUBUHMEV-CMPLNLGQSA-N 1 0 336.229 4.161 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCOc3ccccc32)cc1F ZINC000858118859 1054420632 /nfs/dbraw/zinc/42/06/32/1054420632.db2.gz INKDBBUULVENKK-KRWDZBQOSA-N 1 0 332.394 4.034 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001203937471 1054426355 /nfs/dbraw/zinc/42/63/55/1054426355.db2.gz RJNKNQRZDDVOEH-IBGZPJMESA-N 1 0 330.472 4.258 20 10 EICDRO CCCCOc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000858237825 1054442803 /nfs/dbraw/zinc/44/28/03/1054442803.db2.gz QMHRLGKUQBOIKK-UHFFFAOYSA-N 1 0 329.440 4.178 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c1 ZINC000858240008 1054445486 /nfs/dbraw/zinc/44/54/86/1054445486.db2.gz YSWUGFLYJVMFDU-UHFFFAOYSA-N 1 0 333.453 4.007 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)COc1ccc(F)cc1F ZINC001199732700 1054456253 /nfs/dbraw/zinc/45/62/53/1054456253.db2.gz RFHKECBHWVWAPB-CYBMUJFWSA-N 1 0 344.405 4.322 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1C ZINC000873139024 1054492654 /nfs/dbraw/zinc/49/26/54/1054492654.db2.gz ZVPAUKDBHMLNBX-UHFFFAOYSA-N 1 0 327.472 4.075 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1O ZINC000858458909 1054495051 /nfs/dbraw/zinc/49/50/51/1054495051.db2.gz LOKUKQKNFBYQGC-ZGZIKQBOSA-N 1 0 329.827 4.043 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000873185007 1054505222 /nfs/dbraw/zinc/50/52/22/1054505222.db2.gz OQLHMLXCPWPQIU-LLVKDONJSA-N 1 0 340.345 4.056 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2c(C)[nH]c3ccc(F)cc32)c1O ZINC000858526349 1054508030 /nfs/dbraw/zinc/50/80/30/1054508030.db2.gz ZJNRCVBAMMTFGD-LBPRGKRZSA-N 1 0 342.414 4.223 20 10 EICDRO CCCC[C@H](CCC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001200910581 1054573606 /nfs/dbraw/zinc/57/36/06/1054573606.db2.gz GTRNIYPBDUYMMG-SFHVURJKSA-N 1 0 335.511 4.026 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccsc2Br)cc1C ZINC000282209859 1054619910 /nfs/dbraw/zinc/61/99/10/1054619910.db2.gz JAEJEDYPRWUPAN-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N2CCCCC2)cc1 ZINC000124812146 1054621754 /nfs/dbraw/zinc/62/17/54/1054621754.db2.gz MLDMBKMCEXTBNG-LLUDDFSJSA-N 1 0 328.500 4.285 20 10 EICDRO Cc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1O ZINC000200640278 1054632214 /nfs/dbraw/zinc/63/22/14/1054632214.db2.gz VSHYBKXLSLRBIP-IRLDBZIGSA-N 1 0 333.431 4.265 20 10 EICDRO CN(C)c1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1F ZINC001201178363 1054704975 /nfs/dbraw/zinc/70/49/75/1054704975.db2.gz BNODQFRZQMBTQF-UHFFFAOYSA-N 1 0 326.459 4.394 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cnccc2C)c(O)c(C(C)(C)C)c1 ZINC000825749255 1054723619 /nfs/dbraw/zinc/72/36/19/1054723619.db2.gz POUYCPZLOWXHIJ-UHFFFAOYSA-N 1 0 328.456 4.034 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)c1 ZINC000776151116 1054742925 /nfs/dbraw/zinc/74/29/25/1054742925.db2.gz GNBHVXUGCMDNCP-UHFFFAOYSA-N 1 0 340.448 4.123 20 10 EICDRO CC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000776158741 1054766763 /nfs/dbraw/zinc/76/67/63/1054766763.db2.gz VJJHJVPNDCQGPJ-NJDAHSKKSA-N 1 0 342.527 4.216 20 10 EICDRO CC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000776158745 1054767568 /nfs/dbraw/zinc/76/75/68/1054767568.db2.gz VJJHJVPNDCQGPJ-PWRODBHTSA-N 1 0 342.527 4.216 20 10 EICDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000776166735 1054795149 /nfs/dbraw/zinc/79/51/49/1054795149.db2.gz DQQQDCBHCNXMRZ-JXFKEZNVSA-N 1 0 348.506 4.264 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CCOCC2)c1O ZINC000776175427 1054803433 /nfs/dbraw/zinc/80/34/33/1054803433.db2.gz QTMVCTZAOQDFME-UHFFFAOYSA-N 1 0 331.843 4.150 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1C ZINC001201473653 1054828127 /nfs/dbraw/zinc/82/81/27/1054828127.db2.gz UYMQHWXDOCDUAV-RLLQIKCJSA-N 1 0 329.484 4.221 20 10 EICDRO Cc1cc(C)[nH+]c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC001201549703 1054839039 /nfs/dbraw/zinc/83/90/39/1054839039.db2.gz OUZBZBSIFXGDPR-UHFFFAOYSA-N 1 0 340.427 4.209 20 10 EICDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876571682 1054931598 /nfs/dbraw/zinc/93/15/98/1054931598.db2.gz CNQZAKZMDUXETD-SFHVURJKSA-N 1 0 338.495 4.149 20 10 EICDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001201953980 1054964193 /nfs/dbraw/zinc/96/41/93/1054964193.db2.gz CMFGJIMLEIDOQF-BEFAXECRSA-N 1 0 330.497 4.042 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877030976 1055002802 /nfs/dbraw/zinc/00/28/02/1055002802.db2.gz KRBXVUVKUYFBLO-UHFFFAOYSA-N 1 0 329.831 4.145 20 10 EICDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2ccc(C)cc2O)c(C)c1 ZINC000877114146 1055021947 /nfs/dbraw/zinc/02/19/47/1055021947.db2.gz MBGPYFBHDJMNPW-FQEVSTJZSA-N 1 0 335.451 4.045 20 10 EICDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202111142 1055053560 /nfs/dbraw/zinc/05/35/60/1055053560.db2.gz NVVVVOWZMUSBIS-HNNXBMFYSA-N 1 0 331.460 4.253 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000777257622 1055056596 /nfs/dbraw/zinc/05/65/96/1055056596.db2.gz BOBPSVSRUSSABS-OBZTUIKSSA-N 1 0 328.500 4.141 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000777257623 1055058372 /nfs/dbraw/zinc/05/83/72/1055058372.db2.gz BOBPSVSRUSSABS-QLIIJSOBSA-N 1 0 328.500 4.141 20 10 EICDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)c1ccccc1F ZINC000825986546 1055093568 /nfs/dbraw/zinc/09/35/68/1055093568.db2.gz GVBATZITESKVID-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1 ZINC000877621675 1055093671 /nfs/dbraw/zinc/09/36/71/1055093671.db2.gz ZYFRLYAWLZFNAP-UHFFFAOYSA-N 1 0 342.439 4.337 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000877621134 1055094176 /nfs/dbraw/zinc/09/41/76/1055094176.db2.gz PPDAKDWHDVPSSJ-UHFFFAOYSA-N 1 0 342.439 4.337 20 10 EICDRO Cc1cc(Br)c(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000877631230 1055097198 /nfs/dbraw/zinc/09/71/98/1055097198.db2.gz RJKPMEMMSJCDBH-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001202251793 1055097397 /nfs/dbraw/zinc/09/73/97/1055097397.db2.gz SUROJCPLUSOGHW-HZPDHXFCSA-N 1 0 331.460 4.111 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1O ZINC000877755590 1055114900 /nfs/dbraw/zinc/11/49/00/1055114900.db2.gz HKNLEPOIUMAYEZ-LLVKDONJSA-N 1 0 343.320 4.323 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)cc1 ZINC000119233256 1055139589 /nfs/dbraw/zinc/13/95/89/1055139589.db2.gz NGDOYUAOUZNWTC-GOSISDBHSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360401 1055166215 /nfs/dbraw/zinc/16/62/15/1055166215.db2.gz ZSXFNIKVSWUMKY-HOTGVXAUSA-N 1 0 328.456 4.145 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)oc3C)CC2)cc1 ZINC000119395119 1055183259 /nfs/dbraw/zinc/18/32/59/1055183259.db2.gz QYYWQMUIKPJTJF-OAHLLOKOSA-N 1 0 328.456 4.225 20 10 EICDRO Oc1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001203557084 1055225572 /nfs/dbraw/zinc/22/55/72/1055225572.db2.gz ZBIWBZNEGYUOOE-UHFFFAOYSA-N 1 0 337.250 4.021 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2oc(-c3ccccc3)nc2C)c1 ZINC000878360635 1055264054 /nfs/dbraw/zinc/26/40/54/1055264054.db2.gz QINIBQUWKBNVIM-ZDUSSCGKSA-N 1 0 338.407 4.215 20 10 EICDRO COCc1cccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850032171 1055327983 /nfs/dbraw/zinc/32/79/83/1055327983.db2.gz OLBYYHWNUXSIOI-UHFFFAOYSA-N 1 0 343.467 4.135 20 10 EICDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000765798864 1055334217 /nfs/dbraw/zinc/33/42/17/1055334217.db2.gz DPKBTCPSFHLXLF-AWEZNQCLSA-N 1 0 331.529 4.400 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000131552461 1055344478 /nfs/dbraw/zinc/34/44/78/1055344478.db2.gz UKVYFHQIAAUTKB-CQSZACIVSA-N 1 0 342.874 4.295 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2O ZINC000765805990 1055409009 /nfs/dbraw/zinc/40/90/09/1055409009.db2.gz AZLHWHIXMKVLPS-VWCVUJCZSA-N 1 0 349.833 4.230 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1O ZINC000765821090 1055667239 /nfs/dbraw/zinc/66/72/39/1055667239.db2.gz YSMIPOPTMNRYAE-PIGZYNQJSA-N 1 0 340.250 4.257 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CC1(C)C ZINC000785446391 1055695008 /nfs/dbraw/zinc/69/50/08/1055695008.db2.gz PSAGAWWNQNAOAU-CXAGYDPISA-N 1 0 338.442 4.281 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC1(C)C ZINC000785446393 1055697800 /nfs/dbraw/zinc/69/78/00/1055697800.db2.gz PSAGAWWNQNAOAU-DYVFJYSZSA-N 1 0 338.442 4.281 20 10 EICDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000765848434 1055872005 /nfs/dbraw/zinc/87/20/05/1055872005.db2.gz LUMPTTDOBGTREQ-JKSUJKDBSA-N 1 0 342.483 4.052 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000765882044 1056055851 /nfs/dbraw/zinc/05/58/51/1056055851.db2.gz QFAAQNLIHDQYRH-OPAMFIHVSA-N 1 0 334.463 4.290 20 10 EICDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000765907918 1056167904 /nfs/dbraw/zinc/16/79/04/1056167904.db2.gz JXYRVCDMJLSYAK-QGZVFWFLSA-N 1 0 341.474 4.413 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000741261296 1058185676 /nfs/dbraw/zinc/18/56/76/1058185676.db2.gz NVMYDBGZXIFCBA-IBGZPJMESA-N 1 0 330.472 4.038 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000741256487 1058186006 /nfs/dbraw/zinc/18/60/06/1058186006.db2.gz NQRZMRGQGMGJQU-ZCNNSNEGSA-N 1 0 330.516 4.216 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@H](C)CO1 ZINC000742167991 1058528117 /nfs/dbraw/zinc/52/81/17/1058528117.db2.gz JBGAQWJYQCMHNI-ZHRRBRCNSA-N 1 0 348.446 4.211 20 10 EICDRO COc1ccc([C@@H](C)CC[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000742373846 1058598262 /nfs/dbraw/zinc/59/82/62/1058598262.db2.gz KWHRLNLTPYLKHJ-HNNXBMFYSA-N 1 0 330.447 4.184 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(OC)nc3ccccc23)cc1 ZINC000742379758 1058605263 /nfs/dbraw/zinc/60/52/63/1058605263.db2.gz HHWICNYQNGFZTF-UHFFFAOYSA-N 1 0 349.478 4.379 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000743474282 1059022679 /nfs/dbraw/zinc/02/26/79/1059022679.db2.gz RZYPIHWIUNRWBD-HZPDHXFCSA-N 1 0 328.431 4.074 20 10 EICDRO CCC(CC)(CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000744447168 1059515781 /nfs/dbraw/zinc/51/57/81/1059515781.db2.gz JPDFDLOPBOCXMF-UHFFFAOYSA-N 1 0 327.468 4.338 20 10 EICDRO C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640266 1059704844 /nfs/dbraw/zinc/70/48/44/1059704844.db2.gz BNPDNRQLUQFZLV-HOTGVXAUSA-N 1 0 330.447 4.093 20 10 EICDRO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000746468386 1060369273 /nfs/dbraw/zinc/36/92/73/1060369273.db2.gz ABKBMGWTWCMUTN-IBGZPJMESA-N 1 0 341.451 4.034 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000766470513 1060372624 /nfs/dbraw/zinc/37/26/24/1060372624.db2.gz HZMYMGWBDVRATH-QFIPXVFZSA-N 1 0 333.431 4.191 20 10 EICDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766487033 1060392599 /nfs/dbraw/zinc/39/25/99/1060392599.db2.gz BRDBAROIBSLUJF-IRXDYDNUSA-N 1 0 341.474 4.493 20 10 EICDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000766499416 1060405906 /nfs/dbraw/zinc/40/59/06/1060405906.db2.gz MTBJXLSDAJGPAW-VQTJNVASSA-N 1 0 348.556 4.318 20 10 EICDRO CCCCOCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000040506382 1023370894 /nfs/dbraw/zinc/37/08/94/1023370894.db2.gz OGDRSJOEHJTZDU-AWEZNQCLSA-N 1 0 330.266 4.012 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000729682928 1032145903 /nfs/dbraw/zinc/14/59/03/1032145903.db2.gz JAAIYZUQKVSBNQ-UHFFFAOYSA-N 1 0 335.451 4.096 20 10 EICDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841759544 1032551292 /nfs/dbraw/zinc/55/12/92/1032551292.db2.gz ZOFVOXLRSAVAED-SJKOYZFVSA-N 1 0 336.838 4.138 20 10 EICDRO CCOc1ccc(O)c(CN[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000237091149 1032844641 /nfs/dbraw/zinc/84/46/41/1032844641.db2.gz JQHSVTYNMDGCFT-CYBMUJFWSA-N 1 0 345.443 4.072 20 10 EICDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237181969 1032849431 /nfs/dbraw/zinc/84/94/31/1032849431.db2.gz UOFIIUCZOJKYLK-MRXNPFEDSA-N 1 0 344.524 4.279 20 10 EICDRO C[C@H](NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncc[nH]1 ZINC000287698006 1019920381 /nfs/dbraw/zinc/92/03/81/1019920381.db2.gz WZUGARCHJVQWBT-KBPBESRZSA-N 1 0 332.879 4.150 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000275154295 1020218267 /nfs/dbraw/zinc/21/82/67/1020218267.db2.gz XZZUKUBZLJQRLQ-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1O ZINC000155190744 1020332646 /nfs/dbraw/zinc/33/26/46/1020332646.db2.gz YMOVMEIQOHPWIW-IBGZPJMESA-N 1 0 339.483 4.264 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1O ZINC000155369837 1020545647 /nfs/dbraw/zinc/54/56/47/1020545647.db2.gz BFGNMTFIFJIFEA-UTKZUKDTSA-N 1 0 339.435 4.355 20 10 EICDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397899635 1021697278 /nfs/dbraw/zinc/69/72/78/1021697278.db2.gz AWWGIHQAJDXZTQ-GJZGRUSLSA-N 1 0 348.487 4.143 20 10 EICDRO CC[C@H]([NH2+]Cc1ccsc1Br)c1ccccc1O ZINC000282508909 1022014403 /nfs/dbraw/zinc/01/44/03/1022014403.db2.gz SOXWFYAMRJZMIG-LBPRGKRZSA-N 1 0 326.259 4.457 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccsc1Br)c1ccccc1O ZINC000282508906 1022016424 /nfs/dbraw/zinc/01/64/24/1022016424.db2.gz SOXWFYAMRJZMIG-GFCCVEGCSA-N 1 0 326.259 4.457 20 10 EICDRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178136892 1022018115 /nfs/dbraw/zinc/01/81/15/1022018115.db2.gz BNNDFWKQAPTRIH-JZLODUJNSA-N 1 0 340.442 4.026 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-c2ccncc2)c1 ZINC000363847882 1022851049 /nfs/dbraw/zinc/85/10/49/1022851049.db2.gz FAOBEKKILOEYPA-HNNXBMFYSA-N 1 0 334.419 4.314 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1C ZINC000363870340 1022875463 /nfs/dbraw/zinc/87/54/63/1022875463.db2.gz WPUFOTUMMRHWQN-INIZCTEOSA-N 1 0 335.451 4.260 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000184901834 1022967474 /nfs/dbraw/zinc/96/74/74/1022967474.db2.gz NWLHHXNRMNBPNV-VLIAUNLRSA-N 1 0 329.440 4.457 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000185157242 1023013334 /nfs/dbraw/zinc/01/33/34/1023013334.db2.gz YTONRFSRJHZMPU-CVEARBPZSA-N 1 0 338.451 4.239 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000185160686 1023016720 /nfs/dbraw/zinc/01/67/20/1023016720.db2.gz GPLDDEVQKGTXAB-CABCVRRESA-N 1 0 340.423 4.069 20 10 EICDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc2ccccc2c1O ZINC000185443488 1023043104 /nfs/dbraw/zinc/04/31/04/1023043104.db2.gz WRCHZOWVGVFCCM-HNNXBMFYSA-N 1 0 334.419 4.225 20 10 EICDRO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc2ccccc2c1O ZINC000185520279 1023049245 /nfs/dbraw/zinc/04/92/45/1023049245.db2.gz UJXJLCPWULWVEA-MRXNPFEDSA-N 1 0 343.467 4.029 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)c(O)c1OC ZINC000892689215 1023156020 /nfs/dbraw/zinc/15/60/20/1023156020.db2.gz HRFGURDSJVNOEN-LJQANCHMSA-N 1 0 341.451 4.431 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(Br)cc1 ZINC000311789900 1023257118 /nfs/dbraw/zinc/25/71/18/1023257118.db2.gz ZZLVNLWLYCAQTL-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)c(C(F)(F)F)c1 ZINC001143484814 1023338108 /nfs/dbraw/zinc/33/81/08/1023338108.db2.gz SBHDQGSAZRHYOD-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO COc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)c(O)c1OC ZINC000892745359 1023361535 /nfs/dbraw/zinc/36/15/35/1023361535.db2.gz OOSHEDHLQJYEKC-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1nccn1-c1ccccc1 ZINC000377355396 1023483361 /nfs/dbraw/zinc/48/33/61/1023483361.db2.gz VMYSECLBSSHGRM-ZDUSSCGKSA-N 1 0 327.815 4.082 20 10 EICDRO Oc1cccc(Br)c1C[N@@H+]1CCCc2ccccc2C1 ZINC000707144170 1023490378 /nfs/dbraw/zinc/49/03/78/1023490378.db2.gz ZPBWAEIZGMHPTN-UHFFFAOYSA-N 1 0 332.241 4.103 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccccc1O ZINC000156329315 1023525872 /nfs/dbraw/zinc/52/58/72/1023525872.db2.gz FLRZKESLQNSVMX-HNNXBMFYSA-N 1 0 337.366 4.243 20 10 EICDRO Oc1ccc2ccccc2c1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377623039 1023640322 /nfs/dbraw/zinc/64/03/22/1023640322.db2.gz JLJXNBLVFKAGSA-UHFFFAOYSA-N 1 0 333.435 4.017 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000377717556 1023707320 /nfs/dbraw/zinc/70/73/20/1023707320.db2.gz HVUWOUJYAQAQGS-IBGZPJMESA-N 1 0 343.442 4.052 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)cc1C ZINC000194948025 1023795027 /nfs/dbraw/zinc/79/50/27/1023795027.db2.gz VUWIOMKLPHWJSV-UHFFFAOYSA-N 1 0 345.870 4.146 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(C(F)(F)F)c1 ZINC001143519224 1024666697 /nfs/dbraw/zinc/66/66/97/1024666697.db2.gz JEZSRWJOUJPKBI-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000236779234 1025009145 /nfs/dbraw/zinc/00/91/45/1025009145.db2.gz MTMRYDIHOONYKC-KRWDZBQOSA-N 1 0 345.483 4.403 20 10 EICDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070913 1025020485 /nfs/dbraw/zinc/02/04/85/1025020485.db2.gz DVNGDOSOFXLMCQ-IHRRRGAJSA-N 1 0 342.487 4.314 20 10 EICDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070903 1025021006 /nfs/dbraw/zinc/02/10/06/1025021006.db2.gz DVNGDOSOFXLMCQ-BFHYXJOUSA-N 1 0 342.487 4.314 20 10 EICDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070923 1025022121 /nfs/dbraw/zinc/02/21/21/1025022121.db2.gz DVNGDOSOFXLMCQ-MELADBBJSA-N 1 0 342.487 4.314 20 10 EICDRO c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC000800222351 1025320196 /nfs/dbraw/zinc/32/01/96/1025320196.db2.gz PPNPXQHDNGLABM-CTNGQTDRSA-N 1 0 335.495 4.498 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000122154029 1025356298 /nfs/dbraw/zinc/35/62/98/1025356298.db2.gz JWOUKWMEVWXUST-HNNXBMFYSA-N 1 0 335.856 4.381 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000066969834 1025608473 /nfs/dbraw/zinc/60/84/73/1025608473.db2.gz DQMXOMBELQZPPB-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663499 1026000692 /nfs/dbraw/zinc/00/06/92/1026000692.db2.gz JTGXJUNPYAHHRT-TZIWHRDSSA-N 1 0 335.451 4.264 20 10 EICDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553761 1026191142 /nfs/dbraw/zinc/19/11/42/1026191142.db2.gz KCXUGLTVKHVGMC-UONOGXRCSA-N 1 0 346.446 4.321 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1 ZINC000112711050 1026743801 /nfs/dbraw/zinc/74/38/01/1026743801.db2.gz HTVQSOFUHZWAIW-UHFFFAOYSA-N 1 0 332.469 4.115 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000159247496 1026791062 /nfs/dbraw/zinc/79/10/62/1026791062.db2.gz GIYSIMDOCZAANC-CABCVRRESA-N 1 0 347.409 4.003 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000159247233 1026794638 /nfs/dbraw/zinc/79/46/38/1026794638.db2.gz GIYSIMDOCZAANC-HUUCEWRRSA-N 1 0 347.409 4.003 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226180 1027346448 /nfs/dbraw/zinc/34/64/48/1027346448.db2.gz CWBKXRSEJIOKBI-LBPRGKRZSA-N 1 0 341.707 4.051 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001167624938 1027462648 /nfs/dbraw/zinc/46/26/48/1027462648.db2.gz IPRJESNYHJOILP-UHFFFAOYSA-N 1 0 349.482 4.110 20 10 EICDRO c1csc(SCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000925102192 1027699844 /nfs/dbraw/zinc/69/98/44/1027699844.db2.gz MBMNTZFCXPYJQF-GOEBONIOSA-N 1 0 333.526 4.021 20 10 EICDRO C[C@H]([NH2+]Cc1sccc1Br)c1cc(F)ccc1O ZINC000148055914 1027891898 /nfs/dbraw/zinc/89/18/98/1027891898.db2.gz UPWGHKPBCHGISM-QMMMGPOBSA-N 1 0 330.222 4.206 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000248165987 1028340488 /nfs/dbraw/zinc/34/04/88/1028340488.db2.gz SYKIQJXRVDQNPL-QTLCSOKXSA-N 1 0 346.490 4.280 20 10 EICDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc2ccccc2c1O ZINC000278428683 1029200983 /nfs/dbraw/zinc/20/09/83/1029200983.db2.gz JFWKZJAYQUODMB-NSHDSACASA-N 1 0 345.336 4.113 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000192737769 1029383305 /nfs/dbraw/zinc/38/33/05/1029383305.db2.gz YRHQMIDFOKQNHK-BDJLRTHQSA-N 1 0 333.428 4.428 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000475193000 1029398771 /nfs/dbraw/zinc/39/87/71/1029398771.db2.gz HZEUDGNEBPZPSJ-QXAKKESOSA-N 1 0 326.484 4.172 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1OC ZINC000840876702 1029708661 /nfs/dbraw/zinc/70/86/61/1029708661.db2.gz SVBAFXOXBFRMMW-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192375060 1030690506 /nfs/dbraw/zinc/69/05/06/1030690506.db2.gz UHONMNSOTNHLCY-AVRDEDQJSA-N 1 0 333.431 4.413 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)OC)c1 ZINC000527932770 1030976529 /nfs/dbraw/zinc/97/65/29/1030976529.db2.gz YUDGCGNRUHNCQR-XIKOKIGWSA-N 1 0 335.831 4.093 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C2CC2)cn1 ZINC000528042263 1031060446 /nfs/dbraw/zinc/06/04/46/1031060446.db2.gz CPUHMWGAWVTTCE-BBATYDOGSA-N 1 0 332.831 4.251 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000278787191 1031303784 /nfs/dbraw/zinc/30/37/84/1031303784.db2.gz MAAOHIORSOEHBW-VIFPVBQESA-N 1 0 327.758 4.183 20 10 EICDRO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC001168214847 1031304933 /nfs/dbraw/zinc/30/49/33/1031304933.db2.gz JCDPOURJYLDLOQ-UHFFFAOYSA-N 1 0 338.451 4.038 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000236967357 1033837764 /nfs/dbraw/zinc/83/77/64/1033837764.db2.gz MIZHHYTUHYGFTH-GHTZIAJQSA-N 1 0 338.495 4.228 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000248569677 1033867569 /nfs/dbraw/zinc/86/75/69/1033867569.db2.gz QEVFMYKJUMGJJV-SCTDSRPQSA-N 1 0 333.378 4.241 20 10 EICDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000237087210 1034778503 /nfs/dbraw/zinc/77/85/03/1034778503.db2.gz CTDLUACJWCMZFK-MRXNPFEDSA-N 1 0 344.524 4.342 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C)cc1O ZINC000280058469 1035139496 /nfs/dbraw/zinc/13/94/96/1035139496.db2.gz KEQXWWSWLCJCJJ-XZRIDHLOSA-N 1 0 331.481 4.240 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)cc1OC ZINC000280046296 1035145160 /nfs/dbraw/zinc/14/51/60/1035145160.db2.gz JIASKQBGENLATA-KRWDZBQOSA-N 1 0 329.440 4.349 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccc(C)cc1O ZINC000280237007 1035209809 /nfs/dbraw/zinc/20/98/09/1035209809.db2.gz VQKMCVQVAHJXLM-HQRMLTQVSA-N 1 0 327.468 4.296 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000761193466 1036003657 /nfs/dbraw/zinc/00/36/57/1036003657.db2.gz FHLZDFRRVYWWON-CYBMUJFWSA-N 1 0 335.806 4.183 20 10 EICDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000761196030 1036022442 /nfs/dbraw/zinc/02/24/42/1036022442.db2.gz SMPPGWBWPNPEEC-CQSZACIVSA-N 1 0 347.842 4.052 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3c2cccc3C)c1O ZINC000761207585 1036036271 /nfs/dbraw/zinc/03/62/71/1036036271.db2.gz QESOSEZTMHZMOC-UHFFFAOYSA-N 1 0 344.842 4.176 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1O ZINC000228672921 1036459176 /nfs/dbraw/zinc/45/91/76/1036459176.db2.gz SFPFRAADKNBCMR-UHFFFAOYSA-N 1 0 330.186 4.137 20 10 EICDRO C[C@@H](c1ccccc1)[N@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000272055729 1037090116 /nfs/dbraw/zinc/09/01/16/1037090116.db2.gz RFKIZQMXRAXACN-KRWDZBQOSA-N 1 0 341.451 4.109 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c1O ZINC000272094636 1037099334 /nfs/dbraw/zinc/09/93/34/1037099334.db2.gz NVYFLXRMJZXUAT-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO Oc1ccccc1C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCCO1 ZINC000157230622 1037249653 /nfs/dbraw/zinc/24/96/53/1037249653.db2.gz BJLUFXWEECBRJP-HNNXBMFYSA-N 1 0 331.378 4.106 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c(O)c1C ZINC000273380791 1037441269 /nfs/dbraw/zinc/44/12/69/1037441269.db2.gz IDAJFSSCNKJNIG-QGZVFWFLSA-N 1 0 335.451 4.105 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c(O)c1C ZINC000273415780 1037460735 /nfs/dbraw/zinc/46/07/35/1037460735.db2.gz QVMBDBQUGQBYJK-MRXNPFEDSA-N 1 0 340.467 4.454 20 10 EICDRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273455176 1037470333 /nfs/dbraw/zinc/47/03/33/1037470333.db2.gz GWQCUJUUUVQXAJ-QGZVFWFLSA-N 1 0 343.467 4.275 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000273516838 1037490795 /nfs/dbraw/zinc/49/07/95/1037490795.db2.gz SRWUVYRTBXTLMR-YEZLUTFDSA-N 1 0 337.872 4.195 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Br)ccc1O ZINC000273608670 1037522351 /nfs/dbraw/zinc/52/23/51/1037522351.db2.gz VBLZKOYUCVFWRB-BMIGLBTASA-N 1 0 348.240 4.198 20 10 EICDRO CN1CCCc2cc(C[NH2+]C3CCC(C(F)(F)F)CC3)ccc21 ZINC000237129466 1037819547 /nfs/dbraw/zinc/81/95/47/1037819547.db2.gz ZLGUQGGVLBAQHS-UHFFFAOYSA-N 1 0 326.406 4.280 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000423086088 1037945769 /nfs/dbraw/zinc/94/57/69/1037945769.db2.gz MJLXSNVIAQPNSA-AZUAARDMSA-N 1 0 333.479 4.070 20 10 EICDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163616393 1038093228 /nfs/dbraw/zinc/09/32/28/1038093228.db2.gz PARXJYISDBCTNV-KRWDZBQOSA-N 1 0 326.509 4.399 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1cc(F)ccc1O ZINC000230659483 1038224164 /nfs/dbraw/zinc/22/41/64/1038224164.db2.gz ABDCXUNCCFBEIE-VIFPVBQESA-N 1 0 344.249 4.249 20 10 EICDRO Cc1cccc(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1O ZINC000158105388 1038432816 /nfs/dbraw/zinc/43/28/16/1038432816.db2.gz IEUHTOFDTXWKEU-UHFFFAOYSA-N 1 0 334.257 4.488 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc(Br)ccc1O ZINC000757657288 1039872594 /nfs/dbraw/zinc/87/25/94/1039872594.db2.gz KZSFOVYLEBTZSD-CMPLNLGQSA-N 1 0 330.291 4.091 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1cc(Br)ccc1O ZINC000697702756 1040231182 /nfs/dbraw/zinc/23/11/82/1040231182.db2.gz WVFJORJHRCAHQR-BXKDBHETSA-N 1 0 336.220 4.487 20 10 EICDRO Cc1nc(CC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000163559474 1040537743 /nfs/dbraw/zinc/53/77/43/1040537743.db2.gz ZUNCKPNJWFCOQV-UHFFFAOYSA-N 1 0 329.513 4.116 20 10 EICDRO COc1cccc(-c2cc(C[NH2+][C@H](C)c3ccc(C)cc3O)on2)c1 ZINC000903291855 1041004454 /nfs/dbraw/zinc/00/44/54/1041004454.db2.gz LJWBYFWLGGINGI-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@]12CC[NH2+]C2 ZINC000904274523 1041413652 /nfs/dbraw/zinc/41/36/52/1041413652.db2.gz OYBSAOMJLJJOEU-HXUWFJFHSA-N 1 0 349.438 4.462 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000152225838 1042721983 /nfs/dbraw/zinc/72/19/83/1042721983.db2.gz MFAFUKVYXGWCEI-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000760042731 1042937993 /nfs/dbraw/zinc/93/79/93/1042937993.db2.gz XNMXHZKWKBGVHD-KHDYIWLOSA-N 1 0 349.833 4.002 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc2c(c1)OCCO2 ZINC000766029455 1043053121 /nfs/dbraw/zinc/05/31/21/1043053121.db2.gz KNZMXFAZHYXUHF-LJQANCHMSA-N 1 0 340.467 4.073 20 10 EICDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cnn1-c1ccccc1 ZINC000766030589 1043062489 /nfs/dbraw/zinc/06/24/89/1043062489.db2.gz UNHBWPCWEVWZLD-KRWDZBQOSA-N 1 0 348.494 4.406 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000185517251 1043089591 /nfs/dbraw/zinc/08/95/91/1043089591.db2.gz YJIXYQASRVTWEF-QQFBHYJXSA-N 1 0 348.487 4.187 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000185517544 1043089763 /nfs/dbraw/zinc/08/97/63/1043089763.db2.gz CPHZFHZGYDUMAV-FHERZECASA-N 1 0 348.487 4.187 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000765954996 1043092645 /nfs/dbraw/zinc/09/26/45/1043092645.db2.gz XWCVWOLQYCFFDA-OAHLLOKOSA-N 1 0 337.467 4.136 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C(C)(C)COC)cc1 ZINC000727471874 1043220139 /nfs/dbraw/zinc/22/01/39/1043220139.db2.gz PFZXFTQTRKBTQB-UHFFFAOYSA-N 1 0 326.484 4.228 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc4cccnc4c3)CC2)cc1 ZINC000727470298 1043228782 /nfs/dbraw/zinc/22/87/82/1043228782.db2.gz PGAJXROHEMRDSC-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO COc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1C ZINC000727837917 1043311422 /nfs/dbraw/zinc/31/14/22/1043311422.db2.gz YLMIBQBMCWCZPT-NRFANRHFSA-N 1 0 338.495 4.320 20 10 EICDRO CCC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccccc1O ZINC000727831102 1043312892 /nfs/dbraw/zinc/31/28/92/1043312892.db2.gz IKIPIAGHZHPHSK-UHFFFAOYSA-N 1 0 337.423 4.163 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1O ZINC000190903088 1043364370 /nfs/dbraw/zinc/36/43/70/1043364370.db2.gz AWEYFZHNBMLFRT-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO C[N@H+](CCC(=O)c1ccccc1)Cc1cccc(C(C)(C)C)c1O ZINC001143110545 1043408748 /nfs/dbraw/zinc/40/87/48/1043408748.db2.gz ISFZAOZAHBGQTJ-UHFFFAOYSA-N 1 0 325.452 4.395 20 10 EICDRO Fc1ccc(OCC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1F ZINC000730107695 1043444412 /nfs/dbraw/zinc/44/44/12/1043444412.db2.gz PBNLLVCWENKNET-UHFFFAOYSA-N 1 0 346.421 4.124 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000730807703 1043625864 /nfs/dbraw/zinc/62/58/64/1043625864.db2.gz WNNQTFBJUKHFPK-SFHVURJKSA-N 1 0 330.516 4.058 20 10 EICDRO COc1cccc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)c1O ZINC000730818332 1043629786 /nfs/dbraw/zinc/62/97/86/1043629786.db2.gz NMEBVRKCFBHFCC-HXUWFJFHSA-N 1 0 349.430 4.311 20 10 EICDRO CC1CCC(OC2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)CC1 ZINC000731026651 1043678893 /nfs/dbraw/zinc/67/88/93/1043678893.db2.gz LWYDTYWPGKVOPH-UHFFFAOYSA-N 1 0 343.511 4.441 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3nn(C)c4ccccc34)cc2)CC1 ZINC000731041552 1043681644 /nfs/dbraw/zinc/68/16/44/1043681644.db2.gz GKAWZJJDKFBYAU-UHFFFAOYSA-N 1 0 348.494 4.099 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCSc1nccs1)CCCO2 ZINC000766072836 1043877507 /nfs/dbraw/zinc/87/75/07/1043877507.db2.gz NMADNVNCIRVZHB-OAHLLOKOSA-N 1 0 334.510 4.437 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-n2cccn2)cc1 ZINC000766074210 1043879372 /nfs/dbraw/zinc/87/93/72/1043879372.db2.gz UQRDOGODTJBQHO-CQSZACIVSA-N 1 0 344.509 4.162 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000766073443 1043879949 /nfs/dbraw/zinc/87/99/49/1043879949.db2.gz OSMUPZXEVQFZLV-CQSZACIVSA-N 1 0 336.526 4.245 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000766072301 1043880448 /nfs/dbraw/zinc/88/04/48/1043880448.db2.gz FWQIABFIIBMEHR-MRXNPFEDSA-N 1 0 334.510 4.301 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000732918537 1044033036 /nfs/dbraw/zinc/03/30/36/1044033036.db2.gz JXZHBYQEHBLQOX-CVEARBPZSA-N 1 0 328.431 4.074 20 10 EICDRO c1ccc(COCCC2(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000702915709 1044037837 /nfs/dbraw/zinc/03/78/37/1044037837.db2.gz PFXNKPZWGGLQFQ-UHFFFAOYSA-N 1 0 337.463 4.098 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980090 1044061227 /nfs/dbraw/zinc/06/12/27/1044061227.db2.gz HBTQDDWIRRXKGB-IBGZPJMESA-N 1 0 329.390 4.496 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCSCc1ccccc1F ZINC000733322970 1044183578 /nfs/dbraw/zinc/18/35/78/1044183578.db2.gz HHCVCVOALMGPDH-UHFFFAOYSA-N 1 0 325.836 4.208 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1F ZINC000733325401 1044187865 /nfs/dbraw/zinc/18/78/65/1044187865.db2.gz GIMCFSXCSOMZBH-UHFFFAOYSA-N 1 0 330.447 4.359 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccccc1C(F)(F)F ZINC000733325479 1044191559 /nfs/dbraw/zinc/19/15/59/1044191559.db2.gz OHBLTWHHRXSHNF-UHFFFAOYSA-N 1 0 329.749 4.397 20 10 EICDRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140407 1044333679 /nfs/dbraw/zinc/33/36/79/1044333679.db2.gz WIBKTBBZBFWMPW-UTKZUKDTSA-N 1 0 334.467 4.041 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)c1 ZINC000734004943 1044454557 /nfs/dbraw/zinc/45/45/57/1044454557.db2.gz MEOUVKWSKGCDFG-UHFFFAOYSA-N 1 0 348.446 4.459 20 10 EICDRO COc1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)ccc1O ZINC000734160539 1044504906 /nfs/dbraw/zinc/50/49/06/1044504906.db2.gz WTVLQLMWIQGMHG-UHFFFAOYSA-N 1 0 349.430 4.106 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccccc2F)C(C)C)c(O)c1OC ZINC000895346912 1044628037 /nfs/dbraw/zinc/62/80/37/1044628037.db2.gz NTUWZSRYAZOUBK-QGZVFWFLSA-N 1 0 333.403 4.035 20 10 EICDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000092093288 1044727496 /nfs/dbraw/zinc/72/74/96/1044727496.db2.gz CNYOZZNJJNGCLB-UHFFFAOYSA-N 1 0 333.378 4.022 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)cc1 ZINC000922497345 1044775791 /nfs/dbraw/zinc/77/57/91/1044775791.db2.gz QHDQLVQWYDBCPG-UHFFFAOYSA-N 1 0 335.451 4.076 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2c(O)cccc2Br)c1 ZINC000706830289 1044782357 /nfs/dbraw/zinc/78/23/57/1044782357.db2.gz NIILGFFCKXKHGP-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000735485391 1044825201 /nfs/dbraw/zinc/82/52/01/1044825201.db2.gz PAIPKKCXTGANHU-NRFANRHFSA-N 1 0 336.479 4.284 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000735508940 1044830448 /nfs/dbraw/zinc/83/04/48/1044830448.db2.gz RHIKXRPCBSWJMF-CYBMUJFWSA-N 1 0 336.254 4.091 20 10 EICDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922584456 1044832743 /nfs/dbraw/zinc/83/27/43/1044832743.db2.gz KZNVJQPGZWGLTB-INIZCTEOSA-N 1 0 347.256 4.099 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+](C)C2CCC(F)(F)CC2)c1O ZINC000711086048 1044838368 /nfs/dbraw/zinc/83/83/68/1044838368.db2.gz JDUGSSDSMGUEDN-UHFFFAOYSA-N 1 0 348.231 4.473 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CCO2 ZINC000186695893 1045142069 /nfs/dbraw/zinc/14/20/69/1045142069.db2.gz FZTPEVDLLLIBKW-KBXCAEBGSA-N 1 0 327.424 4.274 20 10 EICDRO Cc1ccccc1CN1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000915208676 1045186705 /nfs/dbraw/zinc/18/67/05/1045186705.db2.gz QZWQZNQAHYKWDY-UHFFFAOYSA-N 1 0 338.495 4.025 20 10 EICDRO Fc1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)ccc1N1CCOCC1 ZINC000153546756 1045240605 /nfs/dbraw/zinc/24/06/05/1045240605.db2.gz XKPKZINURUAPRU-SFHVURJKSA-N 1 0 346.471 4.061 20 10 EICDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000153598543 1045316074 /nfs/dbraw/zinc/31/60/74/1045316074.db2.gz PCWSHUOYIQVYFU-GOSISDBHSA-N 1 0 338.495 4.152 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000236955834 1045372264 /nfs/dbraw/zinc/37/22/64/1045372264.db2.gz YBQVFGGQINHJPM-HNNXBMFYSA-N 1 0 329.440 4.429 20 10 EICDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237529175 1045388639 /nfs/dbraw/zinc/38/86/39/1045388639.db2.gz QUMVSUQEVMMGNO-LSDHHAIUSA-N 1 0 325.456 4.123 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(N(C)C)cc1 ZINC000790696621 1045561522 /nfs/dbraw/zinc/56/15/22/1045561522.db2.gz UTBMUXBQEZTAFX-SFHVURJKSA-N 1 0 327.428 4.210 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1C ZINC000790725509 1045571421 /nfs/dbraw/zinc/57/14/21/1045571421.db2.gz AVASLWTYRPOVAS-SPEDKVCISA-N 1 0 341.495 4.289 20 10 EICDRO COc1cccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)c1O ZINC000767740548 1045624682 /nfs/dbraw/zinc/62/46/82/1045624682.db2.gz WHQYOCTYVVJOTL-OAHLLOKOSA-N 1 0 339.357 4.493 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000790947254 1045631195 /nfs/dbraw/zinc/63/11/95/1045631195.db2.gz NGPOPNWJQABEJK-UHFFFAOYSA-N 1 0 333.712 4.493 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000790962831 1045641200 /nfs/dbraw/zinc/64/12/00/1045641200.db2.gz UQWNSGHEWVOQDT-UHFFFAOYSA-N 1 0 339.483 4.149 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)c2cscn2)c(C)n1-c1ccccc1 ZINC000768089863 1045707978 /nfs/dbraw/zinc/70/79/78/1045707978.db2.gz IRMJTBDCLIMECG-HNNXBMFYSA-N 1 0 325.481 4.444 20 10 EICDRO CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723918 /nfs/dbraw/zinc/72/39/18/1045723918.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 1 0 334.467 4.165 20 10 EICDRO CCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000768162609 1045729409 /nfs/dbraw/zinc/72/94/09/1045729409.db2.gz RXGJMFRNLQVCMB-INIZCTEOSA-N 1 0 331.481 4.197 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C)c(C)cc1O ZINC000768203506 1045738947 /nfs/dbraw/zinc/73/89/47/1045738947.db2.gz JLRLVSMJEBRNMD-UHFFFAOYSA-N 1 0 329.440 4.048 20 10 EICDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768207318 1045742395 /nfs/dbraw/zinc/74/23/95/1045742395.db2.gz CHLYDLWMIGZQHP-MNDPQUGUSA-N 1 0 336.479 4.059 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cc(Cl)ccc2OC)c1 ZINC000768205427 1045743501 /nfs/dbraw/zinc/74/35/01/1045743501.db2.gz FDYLGHUOVVEHGK-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO COc1cccc(O)c1C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000768250458 1045764023 /nfs/dbraw/zinc/76/40/23/1045764023.db2.gz RIIBNMINJIVNIM-UHFFFAOYSA-N 1 0 348.446 4.480 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1O ZINC000768256335 1045767343 /nfs/dbraw/zinc/76/73/43/1045767343.db2.gz CLKZQTJGTWZLSV-CXAGYDPISA-N 1 0 327.424 4.282 20 10 EICDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258142 1045769937 /nfs/dbraw/zinc/76/99/37/1045769937.db2.gz QQPLYMUIUSWUSV-BLLLJJGKSA-N 1 0 341.407 4.002 20 10 EICDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000768272506 1045777109 /nfs/dbraw/zinc/77/71/09/1045777109.db2.gz SHLXHYDXEWDVPP-YUMQZZPRSA-N 1 0 326.156 4.146 20 10 EICDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768330538 1045790912 /nfs/dbraw/zinc/79/09/12/1045790912.db2.gz VHJCDFLFSZTTHP-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO CC(C)[N@H+](Cc1nn(C)c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768350393 1045795747 /nfs/dbraw/zinc/79/57/47/1045795747.db2.gz FIOSTKJKMNOLNQ-UHFFFAOYSA-N 1 0 336.483 4.050 20 10 EICDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c(O)cc1C ZINC000768443193 1045807127 /nfs/dbraw/zinc/80/71/27/1045807127.db2.gz RCQVHJDSBZIEGP-UHFFFAOYSA-N 1 0 329.415 4.407 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000768443763 1045807782 /nfs/dbraw/zinc/80/77/82/1045807782.db2.gz UAJZRSFHTYLJFT-UHFFFAOYSA-N 1 0 347.842 4.227 20 10 EICDRO 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C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000248853727 1045885058 /nfs/dbraw/zinc/88/50/58/1045885058.db2.gz PBOKFOBNRXRXIP-RRMPHLOHSA-N 1 0 346.490 4.424 20 10 EICDRO CCC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1O ZINC000769201806 1045893097 /nfs/dbraw/zinc/89/30/97/1045893097.db2.gz ZWHOBBJRSVHBDJ-UHFFFAOYSA-N 1 0 329.831 4.106 20 10 EICDRO CCC[N@H+](Cc1cnc(N(CC)CC)s1)Cc1ccccc1O ZINC000769201580 1045893461 /nfs/dbraw/zinc/89/34/61/1045893461.db2.gz WYVMAXSXIOQOHY-UHFFFAOYSA-N 1 0 333.501 4.107 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000769315209 1045917992 /nfs/dbraw/zinc/91/79/92/1045917992.db2.gz HQVLAPGLAIPEFF-UHFFFAOYSA-N 1 0 346.515 4.087 20 10 EICDRO c1coc([C@H]2CCCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000769425959 1045958964 /nfs/dbraw/zinc/95/89/64/1045958964.db2.gz ADQMFRCZSQRTSK-HXUWFJFHSA-N 1 0 340.467 4.234 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1O ZINC000769465681 1045981614 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Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000322066905 1046260515 /nfs/dbraw/zinc/26/05/15/1046260515.db2.gz CPHZFHZGYDUMAV-BZUAXINKSA-N 1 0 348.487 4.187 20 10 EICDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000793520754 1046264392 /nfs/dbraw/zinc/26/43/92/1046264392.db2.gz IZUJOUWWVINGNS-QGZVFWFLSA-N 1 0 332.532 4.200 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1c1ccccc1 ZINC000746383159 1046335855 /nfs/dbraw/zinc/33/58/55/1046335855.db2.gz QTXWBSQDYHKFSZ-CRAIPNDOSA-N 1 0 339.435 4.137 20 10 EICDRO CCCc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000794275218 1046391227 /nfs/dbraw/zinc/39/12/27/1046391227.db2.gz NLJFSNXNWYAGLH-UHFFFAOYSA-N 1 0 329.488 4.412 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc2c[nH]nc2c1 ZINC000771935124 1046527916 /nfs/dbraw/zinc/52/79/16/1046527916.db2.gz IYYGWYADALAGOO-UHFFFAOYSA-N 1 0 334.467 4.185 20 10 EICDRO COc1ccsc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771935151 1046530113 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EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172495 1047157513 /nfs/dbraw/zinc/15/75/13/1047157513.db2.gz NENUJVPLMXZOBG-IERDGZPVSA-N 1 0 343.490 4.235 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172494 1047158169 /nfs/dbraw/zinc/15/81/69/1047158169.db2.gz NENUJVPLMXZOBG-HRAATJIYSA-N 1 0 343.490 4.235 20 10 EICDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000806173713 1047159564 /nfs/dbraw/zinc/15/95/64/1047159564.db2.gz ZVHMXKFDRPFSDB-PXAZEXFGSA-N 1 0 336.838 4.138 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000806173785 1047160299 /nfs/dbraw/zinc/16/02/99/1047160299.db2.gz DJEWTCMVMIPQSA-PXAZEXFGSA-N 1 0 339.357 4.104 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806140322 1047164705 /nfs/dbraw/zinc/16/47/05/1047164705.db2.gz WEAHRZSSEFVKMJ-MRXNPFEDSA-N 1 0 347.865 4.497 20 10 EICDRO CCCCOc1ncccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788566187 1047233032 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0 349.459 4.400 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)Cc1ccccc1 ZINC000746762056 1047290336 /nfs/dbraw/zinc/29/03/36/1047290336.db2.gz UJNMUDNTJLJSBZ-SBUREZEXSA-N 1 0 347.458 4.141 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c(O)c1 ZINC000788776772 1047312988 /nfs/dbraw/zinc/31/29/88/1047312988.db2.gz NCLZEBVHCKKLQQ-NJNPRVFISA-N 1 0 341.495 4.289 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)c(C)c1 ZINC000789583641 1047443276 /nfs/dbraw/zinc/44/32/76/1047443276.db2.gz DMOLMYPBDQCACT-UHFFFAOYSA-N 1 0 349.858 4.441 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789732415 1047466183 /nfs/dbraw/zinc/46/61/83/1047466183.db2.gz PPFFNJZABYYFEM-UHFFFAOYSA-N 1 0 337.423 4.320 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520074 1047495663 /nfs/dbraw/zinc/49/56/63/1047495663.db2.gz BGBMLFADBZXKPZ-MRXNPFEDSA-N 1 0 349.377 4.025 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000790487432 1047597961 /nfs/dbraw/zinc/59/79/61/1047597961.db2.gz MBKDAAPNQKMCTQ-RTBURBONSA-N 1 0 340.515 4.082 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000154827688 1047668044 /nfs/dbraw/zinc/66/80/44/1047668044.db2.gz PLHAUOIAHIIIDW-SJORKVTESA-N 1 0 330.497 4.332 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1O ZINC000154871395 1047724585 /nfs/dbraw/zinc/72/45/85/1047724585.db2.gz IWMVRKYCFWEKNB-ZWKOTPCHSA-N 1 0 328.456 4.253 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)c1 ZINC000814173473 1047867115 /nfs/dbraw/zinc/86/71/15/1047867115.db2.gz QOWYYPYBJDTGER-UHFFFAOYSA-N 1 0 337.394 4.497 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000814169014 1047872036 /nfs/dbraw/zinc/87/20/36/1047872036.db2.gz BEFIZBYIDBRSRU-CABCVRRESA-N 1 0 348.359 4.249 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000824522618 1047880821 /nfs/dbraw/zinc/88/08/21/1047880821.db2.gz YUXCXBZOKSGJTG-UHFFFAOYSA-N 1 0 337.341 4.378 20 10 EICDRO CC(C)(C)c1cc(C[NH2+][C@@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 ZINC000824526628 1047881458 /nfs/dbraw/zinc/88/14/58/1047881458.db2.gz NXSPCSDFCIGVRZ-QGZVFWFLSA-N 1 0 341.499 4.418 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000824543180 1047887387 /nfs/dbraw/zinc/88/73/87/1047887387.db2.gz FVLRTPBQDSHOKU-HNNXBMFYSA-N 1 0 338.442 4.079 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751462 1047939213 /nfs/dbraw/zinc/93/92/13/1047939213.db2.gz XNCCDNQMGJMNQQ-LJQANCHMSA-N 1 0 328.500 4.116 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnccc2OC)cc1 ZINC000814298054 1047962126 /nfs/dbraw/zinc/96/21/26/1047962126.db2.gz DEIIZKRALCUKKG-UHFFFAOYSA-N 1 0 327.472 4.006 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045537 1048023693 /nfs/dbraw/zinc/02/36/93/1048023693.db2.gz GGBWUPHSWHXQOM-LKFCYVNXSA-N 1 0 337.341 4.156 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1OC(C)C ZINC000825102163 1048024257 /nfs/dbraw/zinc/02/42/57/1048024257.db2.gz KCDKPHUTUCDKFQ-UHFFFAOYSA-N 1 0 349.858 4.440 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1O ZINC000808681948 1048035843 /nfs/dbraw/zinc/03/58/43/1048035843.db2.gz KOKDAMCRJZFEDG-CYBMUJFWSA-N 1 0 329.831 4.055 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1O ZINC000808694581 1048038684 /nfs/dbraw/zinc/03/86/84/1048038684.db2.gz DXWQSGYMFRSEGO-ZDUSSCGKSA-N 1 0 332.831 4.033 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000808692298 1048039525 /nfs/dbraw/zinc/03/95/25/1048039525.db2.gz QSXIAQYJTKDWAM-GFCCVEGCSA-N 1 0 334.803 4.156 20 10 EICDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825125057 1048040802 /nfs/dbraw/zinc/04/08/02/1048040802.db2.gz FEGGBCGUAFVRSV-YGRLFVJLSA-N 1 0 336.229 4.161 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000825144168 1048043559 /nfs/dbraw/zinc/04/35/59/1048043559.db2.gz MDKXRIUXMZKADL-GOSISDBHSA-N 1 0 344.524 4.291 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1O ZINC000808674523 1048045810 /nfs/dbraw/zinc/04/58/10/1048045810.db2.gz UMNRLRXQUPHBQC-MLGOLLRUSA-N 1 0 338.904 4.369 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000808672840 1048046379 /nfs/dbraw/zinc/04/63/79/1048046379.db2.gz SGUBORPCOWSAIY-IUODEOHRSA-N 1 0 338.904 4.369 20 10 EICDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703862 1048049913 /nfs/dbraw/zinc/04/99/13/1048049913.db2.gz YPGHTUCPEAWZAV-ACJLOTCBSA-N 1 0 349.858 4.137 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1O ZINC000808707377 1048053971 /nfs/dbraw/zinc/05/39/71/1048053971.db2.gz NJILKYAJSZFFQW-ZUZCIYMTSA-N 1 0 341.785 4.016 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1O ZINC000808708912 1048056747 /nfs/dbraw/zinc/05/67/47/1048056747.db2.gz RVZGJEBZXWWCMW-ACJLOTCBSA-N 1 0 330.859 4.191 20 10 EICDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808719527 1048065544 /nfs/dbraw/zinc/06/55/44/1048065544.db2.gz VERPWFDRTVPUCG-CKFHNAJUSA-N 1 0 333.859 4.435 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H](O)c1ccccc1 ZINC000808721008 1048071814 /nfs/dbraw/zinc/07/18/14/1048071814.db2.gz GFJJZBHGHOSIMJ-ZSDSOXJFSA-N 1 0 325.452 4.044 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000825326076 1048071765 /nfs/dbraw/zinc/07/17/65/1048071765.db2.gz MSUBEWHWWIEKHV-LBPRGKRZSA-N 1 0 334.803 4.421 20 10 EICDRO CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1cccnc1 ZINC000825330667 1048071869 /nfs/dbraw/zinc/07/18/69/1048071869.db2.gz CABZEDUFIXJHPF-INIZCTEOSA-N 1 0 349.272 4.079 20 10 EICDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000808725147 1048072515 /nfs/dbraw/zinc/07/25/15/1048072515.db2.gz NREMZFGOHNUSLG-GFCCVEGCSA-N 1 0 344.293 4.176 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1O ZINC000808701744 1048081328 /nfs/dbraw/zinc/08/13/28/1048081328.db2.gz GYPMURHLWKCOJN-AWEZNQCLSA-N 1 0 325.880 4.338 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808732307 1048095676 /nfs/dbraw/zinc/09/56/76/1048095676.db2.gz IMSBPWVEFBBJDI-KUHUBIRLSA-N 1 0 332.875 4.444 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478424 1048096360 /nfs/dbraw/zinc/09/63/60/1048096360.db2.gz AKBVWIIBQSAIPE-LSDHHAIUSA-N 1 0 336.907 4.097 20 10 EICDRO CC1([NH2+]Cc2ccc(Br)cc2O)CCC(F)(F)CC1 ZINC000825489844 1048099939 /nfs/dbraw/zinc/09/99/39/1048099939.db2.gz PXAVUBVWVOQSLA-UHFFFAOYSA-N 1 0 334.204 4.212 20 10 EICDRO Cc1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)ccc1N(C)C ZINC000815014141 1048297114 /nfs/dbraw/zinc/29/71/14/1048297114.db2.gz HELJHZYWSYDOBZ-JOCHJYFZSA-N 1 0 338.495 4.007 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)ccc1N(C)C ZINC000815083742 1048324640 /nfs/dbraw/zinc/32/46/40/1048324640.db2.gz ZKWSZFYBRLARIS-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2c(C)onc2CC)cc1 ZINC000815146292 1048369171 /nfs/dbraw/zinc/36/91/71/1048369171.db2.gz PURXUKSLYIPGGS-UHFFFAOYSA-N 1 0 329.488 4.462 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc(Cl)cs1 ZINC000809713168 1048491189 /nfs/dbraw/zinc/49/11/89/1048491189.db2.gz KMQMCXWKHJXELT-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815554076 1048505372 /nfs/dbraw/zinc/50/53/72/1048505372.db2.gz QYACCKPYTRQYQB-MRXNPFEDSA-N 1 0 337.467 4.408 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(O)c1 ZINC000815552955 1048506085 /nfs/dbraw/zinc/50/60/85/1048506085.db2.gz OCYZLQJAYKRFLM-SJORKVTESA-N 1 0 328.456 4.090 20 10 EICDRO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)c1[O-] ZINC000809739561 1048510756 /nfs/dbraw/zinc/51/07/56/1048510756.db2.gz OHIXHSGNYCKWRE-UHFFFAOYSA-N 1 0 332.875 4.129 20 10 EICDRO CCCCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000809739611 1048511064 /nfs/dbraw/zinc/51/10/64/1048511064.db2.gz PSJTZGUPGPDIDW-UHFFFAOYSA-N 1 0 329.440 4.260 20 10 EICDRO CC[N@H+](Cc1cc(C)cc(Br)c1)Cc1ccccc1O ZINC001144222640 1048514456 /nfs/dbraw/zinc/51/44/56/1048514456.db2.gz YMAQMJWKSSFQFM-UHFFFAOYSA-N 1 0 334.257 4.485 20 10 EICDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579267 1048517699 /nfs/dbraw/zinc/51/76/99/1048517699.db2.gz JBGDYCWVCNQISE-LDQXTDLNSA-N 1 0 327.468 4.063 20 10 EICDRO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815576663 1048518065 /nfs/dbraw/zinc/51/80/65/1048518065.db2.gz VYGOBATZHNZEHM-ZDUSSCGKSA-N 1 0 344.421 4.184 20 10 EICDRO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815583785 1048521893 /nfs/dbraw/zinc/52/18/93/1048521893.db2.gz OFVCMCSHZQQGCD-ZDUSSCGKSA-N 1 0 344.421 4.184 20 10 EICDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815584138 1048521967 /nfs/dbraw/zinc/52/19/67/1048521967.db2.gz WIVSUKPZZNYYIE-HZPDHXFCSA-N 1 0 329.440 4.136 20 10 EICDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815585114 1048522300 /nfs/dbraw/zinc/52/23/00/1048522300.db2.gz YNLIBOOFIYUZRV-JKSUJKDBSA-N 1 0 329.440 4.136 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000815582718 1048522797 /nfs/dbraw/zinc/52/27/97/1048522797.db2.gz NRLUDYLVEXMMKF-ZVDOUQERSA-N 1 0 339.479 4.207 20 10 EICDRO CCC(O)(CC)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815572315 1048534636 /nfs/dbraw/zinc/53/46/36/1048534636.db2.gz ZXNYKDGSPIZJBQ-IBGZPJMESA-N 1 0 327.468 4.207 20 10 EICDRO COc1ccc(COCCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815574545 1048536761 /nfs/dbraw/zinc/53/67/61/1048536761.db2.gz UHCBDIAVAVRWBR-KRWDZBQOSA-N 1 0 343.467 4.275 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC000815616494 1048542162 /nfs/dbraw/zinc/54/21/62/1048542162.db2.gz PVHIFNXIOOVUDI-CYBMUJFWSA-N 1 0 331.843 4.448 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCOC(F)F ZINC000815623715 1048548044 /nfs/dbraw/zinc/54/80/44/1048548044.db2.gz FMWLIHUIWFEXHA-QGZVFWFLSA-N 1 0 335.394 4.285 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1 ZINC000815627951 1048550639 /nfs/dbraw/zinc/55/06/39/1048550639.db2.gz OEMOVCKVBXBDAH-KUHUBIRLSA-N 1 0 331.481 4.209 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000815630836 1048552634 /nfs/dbraw/zinc/55/26/34/1048552634.db2.gz ZADUIAUOYBFWCV-JJMVLAAESA-N 1 0 335.806 4.056 20 10 EICDRO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815647166 1048570411 /nfs/dbraw/zinc/57/04/11/1048570411.db2.gz BBAHNLDESVXWGP-AWEZNQCLSA-N 1 0 344.421 4.328 20 10 EICDRO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920410626 1048668326 /nfs/dbraw/zinc/66/83/26/1048668326.db2.gz AUCZWQIJYBYBGJ-UHFFFAOYSA-N 1 0 347.462 4.022 20 10 EICDRO CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000810211680 1048680594 /nfs/dbraw/zinc/68/05/94/1048680594.db2.gz UYWUZZCLKZZTLY-HNNXBMFYSA-N 1 0 341.377 4.047 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1O ZINC000810221126 1048687924 /nfs/dbraw/zinc/68/79/24/1048687924.db2.gz APMAXSRQSXMPNB-BLLLJJGKSA-N 1 0 338.373 4.478 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810226377 1048694472 /nfs/dbraw/zinc/69/44/72/1048694472.db2.gz FDHXEESWFNAKEQ-FZMZJTMJSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810229142 1048696192 /nfs/dbraw/zinc/69/61/92/1048696192.db2.gz SZWMJZJSVLAIQE-DZKIICNBSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810227426 1048696540 /nfs/dbraw/zinc/69/65/40/1048696540.db2.gz WJHQEYGXGMNOQK-CQSZACIVSA-N 1 0 331.378 4.268 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810235480 1048700200 /nfs/dbraw/zinc/70/02/00/1048700200.db2.gz QNRHEWUHELONHB-ZOWXZIJZSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(C(F)(F)F)cc1O ZINC000810237284 1048722236 /nfs/dbraw/zinc/72/22/36/1048722236.db2.gz BEYGKVPTURJCHM-UGFHNGPFSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C(F)(F)F)cc1O ZINC000810240419 1048723549 /nfs/dbraw/zinc/72/35/49/1048723549.db2.gz AQNCJMDCARYROV-HNNXBMFYSA-N 1 0 349.356 4.300 20 10 EICDRO CC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)OCCc2ccccc21 ZINC000810242580 1048723572 /nfs/dbraw/zinc/72/35/72/1048723572.db2.gz DXUWTSQGWJEGCR-VLIAUNLRSA-N 1 0 329.415 4.060 20 10 EICDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000748050490 1048736640 /nfs/dbraw/zinc/73/66/40/1048736640.db2.gz DMOQBTJJIRZLAC-IBGZPJMESA-N 1 0 343.398 4.080 20 10 EICDRO COc1cc(O)c(C[NH2+]C2(c3ccccc3Cl)CCC2)cc1OC ZINC000845995200 1048795350 /nfs/dbraw/zinc/79/53/50/1048795350.db2.gz RMNPAJRPPHOVBI-UHFFFAOYSA-N 1 0 347.842 4.232 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846041758 1048804044 /nfs/dbraw/zinc/80/40/44/1048804044.db2.gz AQGPGDOZPMWNIT-QFIPXVFZSA-N 1 0 337.463 4.354 20 10 EICDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000846054651 1048807366 /nfs/dbraw/zinc/80/73/66/1048807366.db2.gz OLLLEEMHWLWTRG-UHFFFAOYSA-N 1 0 346.215 4.084 20 10 EICDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054517 1048808535 /nfs/dbraw/zinc/80/85/35/1048808535.db2.gz DCKSUWQEPZCFHG-GFCCVEGCSA-N 1 0 329.831 4.033 20 10 EICDRO Oc1c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc2ccccc21 ZINC000816520376 1048819753 /nfs/dbraw/zinc/81/97/53/1048819753.db2.gz NSDCZPNYXUPWNL-IEBWSBKVSA-N 1 0 337.419 4.227 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)ccc2ccccc21 ZINC000816502230 1048822139 /nfs/dbraw/zinc/82/21/39/1048822139.db2.gz SHQBRSAHWSRSPK-FQEVSTJZSA-N 1 0 337.394 4.258 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2SCCc3ccccc32)c1O ZINC000846151658 1048823329 /nfs/dbraw/zinc/82/33/29/1048823329.db2.gz ZYLAEXNGHORHEY-ACJLOTCBSA-N 1 0 329.465 4.082 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1c(F)ccc(O)c1F)C1CCCC1 ZINC000816508718 1048823579 /nfs/dbraw/zinc/82/35/79/1048823579.db2.gz SGLCJHIHKOWXOA-UHFFFAOYSA-N 1 0 333.378 4.321 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1O ZINC000846149329 1048823890 /nfs/dbraw/zinc/82/38/90/1048823890.db2.gz YALOVIHLGKSBNS-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153227 1048824296 /nfs/dbraw/zinc/82/42/96/1048824296.db2.gz HZQXPSYSJXVBLL-LRDDRELGSA-N 1 0 345.414 4.493 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)c1O ZINC000846152611 1048824934 /nfs/dbraw/zinc/82/49/34/1048824934.db2.gz AWTVFYKXQRFMKE-JMERFSKESA-N 1 0 349.858 4.481 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2N2CCCCC2)c1O ZINC000846161316 1048827448 /nfs/dbraw/zinc/82/74/48/1048827448.db2.gz AZGHLUFQVOWMQD-MRXNPFEDSA-N 1 0 340.467 4.242 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846168243 1048828582 /nfs/dbraw/zinc/82/85/82/1048828582.db2.gz IXWASAHZAWHDAQ-FVQBIDKESA-N 1 0 327.424 4.006 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548467 1048828692 /nfs/dbraw/zinc/82/86/92/1048828692.db2.gz ITLQYXGMRDCQHX-UTKZUKDTSA-N 1 0 346.474 4.471 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)c1O ZINC000846139498 1048830439 /nfs/dbraw/zinc/83/04/39/1048830439.db2.gz OEGGVHXAIVZUKU-IAQYHMDHSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000846140714 1048830518 /nfs/dbraw/zinc/83/05/18/1048830518.db2.gz ZTWBNZLTKNCGMA-UONOGXRCSA-N 1 0 345.439 4.138 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)c1O ZINC000846139017 1048830555 /nfs/dbraw/zinc/83/05/55/1048830555.db2.gz ZPZHQFSAIWWPPC-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Br)cs2)c1O ZINC000846142312 1048831334 /nfs/dbraw/zinc/83/13/34/1048831334.db2.gz ZZQNAKVEXRMFIE-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1O ZINC000846144770 1048831425 /nfs/dbraw/zinc/83/14/25/1048831425.db2.gz KCCQFKZHPAITMA-GFCCVEGCSA-N 1 0 334.485 4.048 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)c1O ZINC000846146443 1048832717 /nfs/dbraw/zinc/83/27/17/1048832717.db2.gz RSDHBFGKLQESOD-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO Cc1cccc2oc(CC[NH2+]Cc3ccc4ccccc4c3O)nc21 ZINC000816553712 1048833958 /nfs/dbraw/zinc/83/39/58/1048833958.db2.gz FLDASBCBULCKLV-UHFFFAOYSA-N 1 0 332.403 4.327 20 10 EICDRO C[C@H](O)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816556943 1048834415 /nfs/dbraw/zinc/83/44/15/1048834415.db2.gz YVELMJFNNCGTBR-JXFKEZNVSA-N 1 0 335.447 4.190 20 10 EICDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846209349 1048834903 /nfs/dbraw/zinc/83/49/03/1048834903.db2.gz CWLUVCVZRCIOOQ-INIZCTEOSA-N 1 0 334.479 4.019 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1ccc([S@](C)=O)cc1 ZINC000816559395 1048835186 /nfs/dbraw/zinc/83/51/86/1048835186.db2.gz JBKCAMOXHUIUIW-BSEYFRJRSA-N 1 0 339.460 4.134 20 10 EICDRO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182974 1048835518 /nfs/dbraw/zinc/83/55/18/1048835518.db2.gz MNUIMUGUGCCUFI-PXIJXODZSA-N 1 0 343.442 4.183 20 10 EICDRO Oc1c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566089 1048837018 /nfs/dbraw/zinc/83/70/18/1048837018.db2.gz LCZNJBYYJMBMTQ-KRWDZBQOSA-N 1 0 333.431 4.446 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1O ZINC000816631338 1048839945 /nfs/dbraw/zinc/83/99/45/1048839945.db2.gz OEAFUQUWCOVHOR-LJQANCHMSA-N 1 0 345.870 4.348 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc3ccccc3c2O)cc(N2CCCC2)n1 ZINC000816614971 1048844860 /nfs/dbraw/zinc/84/48/60/1048844860.db2.gz KBWZZIJZYTXBMG-UHFFFAOYSA-N 1 0 347.462 4.139 20 10 EICDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000816662036 1048849774 /nfs/dbraw/zinc/84/97/74/1048849774.db2.gz GDEPAFCEUVFSKF-QFIPXVFZSA-N 1 0 339.479 4.290 20 10 EICDRO C[C@@H](c1ccccc1)[N@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846839431 1048918569 /nfs/dbraw/zinc/91/85/69/1048918569.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 1 0 349.478 4.322 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817411173 1048963625 /nfs/dbraw/zinc/96/36/25/1048963625.db2.gz OAZRNTKOFFZSNL-SFHVURJKSA-N 1 0 330.541 4.300 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000817415720 1048967108 /nfs/dbraw/zinc/96/71/08/1048967108.db2.gz XIKZKNBOJMHBSS-RTBURBONSA-N 1 0 341.451 4.018 20 10 EICDRO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817585284 1049016365 /nfs/dbraw/zinc/01/63/65/1049016365.db2.gz FDTMFIVSWMNMSQ-UNXYVOJBSA-N 1 0 331.287 4.222 20 10 EICDRO C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955397 1049066714 /nfs/dbraw/zinc/06/67/14/1049066714.db2.gz XPGUEBPHUVNLTB-JXFKEZNVSA-N 1 0 341.474 4.167 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N)cc1)CCCS2 ZINC000817958535 1049067445 /nfs/dbraw/zinc/06/74/45/1049067445.db2.gz WVJKYJQRDNIHDN-GOSISDBHSA-N 1 0 328.481 4.037 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817956926 1049067943 /nfs/dbraw/zinc/06/79/43/1049067943.db2.gz GBMDONSBPONQFT-ABAIWWIYSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817969585 1049072106 /nfs/dbraw/zinc/07/21/06/1049072106.db2.gz XVCFFOJPULIUIW-SNVBAGLBSA-N 1 0 337.250 4.153 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1O ZINC000817975856 1049074287 /nfs/dbraw/zinc/07/42/87/1049074287.db2.gz YRQUFUREPFISED-VFNWGFHPSA-N 1 0 332.447 4.083 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974855 1049074947 /nfs/dbraw/zinc/07/49/47/1049074947.db2.gz GRHBIOKLGIQPHP-KUHUBIRLSA-N 1 0 339.483 4.288 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1O ZINC000817975664 1049075810 /nfs/dbraw/zinc/07/58/10/1049075810.db2.gz PRIQVTGHRGYUFJ-BZNIZROVSA-N 1 0 330.403 4.067 20 10 EICDRO COC(OC)c1ccc(F)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818203994 1049108841 /nfs/dbraw/zinc/10/88/41/1049108841.db2.gz KDQSJYUJLNAWTA-CQSZACIVSA-N 1 0 346.446 4.034 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3coc4ccccc34)C2)cc1 ZINC000818221427 1049111979 /nfs/dbraw/zinc/11/19/79/1049111979.db2.gz MHPJMBIGNRREGD-INIZCTEOSA-N 1 0 336.435 4.058 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)C2)cc1 ZINC000818220024 1049113151 /nfs/dbraw/zinc/11/31/51/1049113151.db2.gz HSDICWTZWSVITB-JXXFODFXSA-N 1 0 340.467 4.028 20 10 EICDRO CCOc1cccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)c1O ZINC000818232011 1049118082 /nfs/dbraw/zinc/11/80/82/1049118082.db2.gz NXKFJWUDQORIRU-UHFFFAOYSA-N 1 0 349.858 4.478 20 10 EICDRO CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccn1 ZINC000818341627 1049134497 /nfs/dbraw/zinc/13/44/97/1049134497.db2.gz CBPCZDDIIHTWQN-FXAWDEMLSA-N 1 0 339.483 4.048 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C)s3)C2)cc1 ZINC000818345926 1049139289 /nfs/dbraw/zinc/13/92/89/1049139289.db2.gz YFNBKKVXVOCTNU-CVEARBPZSA-N 1 0 330.497 4.242 20 10 EICDRO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001170660168 1049362063 /nfs/dbraw/zinc/36/20/63/1049362063.db2.gz UFGJLZDUHXJGKF-SFHVURJKSA-N 1 0 342.433 4.212 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006076 1049520447 /nfs/dbraw/zinc/52/04/47/1049520447.db2.gz BVJZBBMHYGLHCS-KKSFZXQISA-N 1 0 342.458 4.200 20 10 EICDRO C[N@H+](Cc1ccccc1NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000820699441 1049539547 /nfs/dbraw/zinc/53/95/47/1049539547.db2.gz MHSBLMMGJKXXEB-UHFFFAOYSA-N 1 0 344.480 4.471 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(N(C)C)cc1 ZINC000812737424 1049556499 /nfs/dbraw/zinc/55/64/99/1049556499.db2.gz VQPJWECBGFSTHW-SJORKVTESA-N 1 0 341.474 4.069 20 10 EICDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc2ccccc2c1O ZINC000812738257 1049556938 /nfs/dbraw/zinc/55/69/38/1049556938.db2.gz ZXEYQGCHDOAOLA-CQSZACIVSA-N 1 0 335.451 4.009 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000773077343 1049566723 /nfs/dbraw/zinc/56/67/23/1049566723.db2.gz CXUDLRRJLHTMOC-IEBWSBKVSA-N 1 0 328.500 4.429 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773096975 1049581013 /nfs/dbraw/zinc/58/10/13/1049581013.db2.gz FAABCJZVRVHPJX-NHCUHLMSSA-N 1 0 338.495 4.307 20 10 EICDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773108509 1049586272 /nfs/dbraw/zinc/58/62/72/1049586272.db2.gz QYOBGLOPKPDYQG-PXNSSMCTSA-N 1 0 332.532 4.371 20 10 EICDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118855 1049590919 /nfs/dbraw/zinc/59/09/19/1049590919.db2.gz QMHNOJUQJRXRKQ-YOEHRIQHSA-N 1 0 344.421 4.031 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000812835091 1049604085 /nfs/dbraw/zinc/60/40/85/1049604085.db2.gz LQSVEULGWCSAMM-LEWJYISDSA-N 1 0 328.500 4.222 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1ccccc1O ZINC000037000696 1049653839 /nfs/dbraw/zinc/65/38/39/1049653839.db2.gz BBONWJHEQTWWEB-QWHCGFSZSA-N 1 0 334.257 4.437 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1C ZINC001171518959 1049746663 /nfs/dbraw/zinc/74/66/63/1049746663.db2.gz ARENTOHWRYAPLV-AWEZNQCLSA-N 1 0 335.369 4.068 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC(F)(F)F)c2)c1 ZINC000813330637 1049753463 /nfs/dbraw/zinc/75/34/63/1049753463.db2.gz BMDXMYIOPXTOHN-NSHDSACASA-N 1 0 341.329 4.150 20 10 EICDRO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001203180763 1049758758 /nfs/dbraw/zinc/75/87/58/1049758758.db2.gz BLNTXZHLKFOLLD-IBGZPJMESA-N 1 0 329.532 4.029 20 10 EICDRO Cc1cc(C[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)ccc1N1CCCCC1 ZINC001171653319 1049770764 /nfs/dbraw/zinc/77/07/64/1049770764.db2.gz DBNGRQILSREPAK-NRFANRHFSA-N 1 0 343.559 4.147 20 10 EICDRO COc1cc(C[NH2+]C[C@@H](OC)C2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001203249916 1049782388 /nfs/dbraw/zinc/78/23/88/1049782388.db2.gz XNPLPLDBTHLWIH-LJQANCHMSA-N 1 0 349.515 4.383 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)cc2Cl)cc1 ZINC001171730154 1049786975 /nfs/dbraw/zinc/78/69/75/1049786975.db2.gz RRELCOMMEMKHAU-UHFFFAOYSA-N 1 0 332.875 4.225 20 10 EICDRO CCC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccccc1O ZINC000179929601 1049806222 /nfs/dbraw/zinc/80/62/22/1049806222.db2.gz GQFDPLYFUXVWHF-UHFFFAOYSA-N 1 0 335.451 4.205 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(Cl)cc1 ZINC000786829131 1049835261 /nfs/dbraw/zinc/83/52/61/1049835261.db2.gz JJDHHTNYUVMWIV-IBGZPJMESA-N 1 0 332.875 4.192 20 10 EICDRO Oc1ccc(C[N@H+](Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000180065242 1049838460 /nfs/dbraw/zinc/83/84/60/1049838460.db2.gz RZWYQEZNWOUASO-UHFFFAOYSA-N 1 0 327.355 4.032 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000823437401 1049846526 /nfs/dbraw/zinc/84/65/26/1049846526.db2.gz MOOCIIITMBQZHA-SFHVURJKSA-N 1 0 344.524 4.243 20 10 EICDRO CCOc1ccc(C[C@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC001206158832 1049854768 /nfs/dbraw/zinc/85/47/68/1049854768.db2.gz ARNVKZRVHLFXAI-INIZCTEOSA-N 1 0 343.467 4.076 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000180183069 1049858478 /nfs/dbraw/zinc/85/84/78/1049858478.db2.gz RTJOKDMJCHKRHI-UHFFFAOYSA-N 1 0 327.424 4.051 20 10 EICDRO Oc1ccccc1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000823752617 1049874460 /nfs/dbraw/zinc/87/44/60/1049874460.db2.gz JFTXEDUVQVSQLR-AWEZNQCLSA-N 1 0 336.204 4.071 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000823825525 1049877682 /nfs/dbraw/zinc/87/76/82/1049877682.db2.gz RCNPPXQCUWRWAR-UHFFFAOYSA-N 1 0 332.538 4.370 20 10 EICDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823924894 1049888050 /nfs/dbraw/zinc/88/80/50/1049888050.db2.gz WFEYGRINJCSTSL-SFHVURJKSA-N 1 0 332.513 4.025 20 10 EICDRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000180404574 1049889786 /nfs/dbraw/zinc/88/97/86/1049889786.db2.gz CADYKVJXSSORSQ-KRWDZBQOSA-N 1 0 347.522 4.339 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccc(N(C)C)cc1 ZINC000824195469 1049904992 /nfs/dbraw/zinc/90/49/92/1049904992.db2.gz GFPSDACWJLWNAF-MRXNPFEDSA-N 1 0 340.467 4.155 20 10 EICDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)cc1O ZINC001172567278 1049936394 /nfs/dbraw/zinc/93/63/94/1049936394.db2.gz JCSQPKVBJBLBAR-JTQLQIEISA-N 1 0 341.785 4.140 20 10 EICDRO c1cnn(-c2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)c1 ZINC000067507025 1050180256 /nfs/dbraw/zinc/18/02/56/1050180256.db2.gz MCRPEMITVGTWPC-UHFFFAOYSA-N 1 0 346.478 4.152 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1C ZINC001177424211 1050209130 /nfs/dbraw/zinc/20/91/30/1050209130.db2.gz DAIRKLBZUXXMPH-OAQYLSRUSA-N 1 0 340.511 4.046 20 10 EICDRO Cc1c2ccccc2n(C)c1CNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001177492027 1050229654 /nfs/dbraw/zinc/22/96/54/1050229654.db2.gz MAMZMNIKGWRAOR-CALCHBBNSA-N 1 0 341.543 4.333 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1c2ccccc2C[C@H]1C ZINC001177515303 1050233471 /nfs/dbraw/zinc/23/34/71/1050233471.db2.gz LRHWWSWQODEVAY-MRXNPFEDSA-N 1 0 333.479 4.028 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)c1O ZINC000774993367 1050275488 /nfs/dbraw/zinc/27/54/88/1050275488.db2.gz UYVNPRXMORZSCV-CYBMUJFWSA-N 1 0 345.414 4.372 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2cccc3cccnc32)c(Cl)c1 ZINC001177678646 1050276250 /nfs/dbraw/zinc/27/62/50/1050276250.db2.gz CQBRNMSLBNEKRE-UHFFFAOYSA-N 1 0 326.827 4.235 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccccn1 ZINC001177688266 1050281223 /nfs/dbraw/zinc/28/12/23/1050281223.db2.gz QAYMCZQNWDVQFU-GOSISDBHSA-N 1 0 328.456 4.258 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccccc2C)cc1 ZINC001177799969 1050305921 /nfs/dbraw/zinc/30/59/21/1050305921.db2.gz PAUVHYGZYLNWOZ-QFIPXVFZSA-N 1 0 340.511 4.445 20 10 EICDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c(O)cc(C)cc1Cl)C2 ZINC001178294849 1050430984 /nfs/dbraw/zinc/43/09/84/1050430984.db2.gz CVBBYUMJYBTQSF-OAHLLOKOSA-N 1 0 331.843 4.010 20 10 EICDRO Cc1ccc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001178386731 1050451440 /nfs/dbraw/zinc/45/14/40/1050451440.db2.gz JCKLEYPNIPMGHP-UHFFFAOYSA-N 1 0 329.875 4.012 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)c2ncc(C)s2)cc1F ZINC001178448813 1050462451 /nfs/dbraw/zinc/46/24/51/1050462451.db2.gz DEMWXEUVKCOTNN-ZDUSSCGKSA-N 1 0 335.492 4.330 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1C ZINC001178493076 1050468709 /nfs/dbraw/zinc/46/87/09/1050468709.db2.gz SIFXFDHZCHEOMJ-GOSISDBHSA-N 1 0 329.488 4.047 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CSC2(C)C)cc1 ZINC001178549733 1050500896 /nfs/dbraw/zinc/50/08/96/1050500896.db2.gz NQMWUTPLAPBOES-KRWDZBQOSA-N 1 0 332.538 4.368 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756259 1050504726 /nfs/dbraw/zinc/50/47/26/1050504726.db2.gz VFEYFBXBPMHGHT-GYCJOSAFSA-N 1 0 344.524 4.073 20 10 EICDRO COc1cccc(C2(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001178836111 1050566836 /nfs/dbraw/zinc/56/68/36/1050566836.db2.gz TUMDHDGHRUVTMW-AATRIKPKSA-N 1 0 336.479 4.096 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1O ZINC000775129308 1050572286 /nfs/dbraw/zinc/57/22/86/1050572286.db2.gz FXSVOSWFQJGIBZ-GFCCVEGCSA-N 1 0 333.815 4.058 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001178971137 1050600836 /nfs/dbraw/zinc/60/08/36/1050600836.db2.gz DECBXEYWZNRPIF-OAHLLOKOSA-N 1 0 343.540 4.117 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001178972032 1050601811 /nfs/dbraw/zinc/60/18/11/1050601811.db2.gz OLQDFFWAPCCJLF-XKGZKEIXSA-N 1 0 332.532 4.175 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1ccsc1)c1ccc(C[NH3+])cc1 ZINC000775140620 1050605072 /nfs/dbraw/zinc/60/50/72/1050605072.db2.gz NLGALMQXYNCTQV-UHFFFAOYSA-N 1 0 326.469 4.014 20 10 EICDRO CCCN(Cc1nc2cc(Cl)ccc2n1C)c1ccc(C[NH3+])cc1 ZINC000775140665 1050605081 /nfs/dbraw/zinc/60/50/81/1050605081.db2.gz PIDZKEYNRQVSTL-UHFFFAOYSA-N 1 0 342.874 4.102 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CCc1n[nH]c2ccccc21 ZINC000775140688 1050605460 /nfs/dbraw/zinc/60/54/60/1050605460.db2.gz QEEPBNHKISBPNN-INIZCTEOSA-N 1 0 336.483 4.259 20 10 EICDRO CCCN(Cc1cnc(-c2ccccc2)nc1)c1ccc(C[NH3+])cc1 ZINC000775141139 1050607972 /nfs/dbraw/zinc/60/79/72/1050607972.db2.gz XJUVXRZJUYOFLQ-UHFFFAOYSA-N 1 0 332.451 4.019 20 10 EICDRO CCCN(Cc1ccc(SC)c(OC)c1)c1ccc(C[NH3+])cc1 ZINC000775140966 1050608073 /nfs/dbraw/zinc/60/80/73/1050608073.db2.gz RCEFOBRGZPICAP-UHFFFAOYSA-N 1 0 330.497 4.292 20 10 EICDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001179081104 1050626232 /nfs/dbraw/zinc/62/62/32/1050626232.db2.gz ADJKDAHWQWYPEK-OXJNMPFZSA-N 1 0 346.540 4.271 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC001179169363 1050647634 /nfs/dbraw/zinc/64/76/34/1050647634.db2.gz YZQKGOLKVRGVDA-OAQYLSRUSA-N 1 0 329.532 4.029 20 10 EICDRO Cc1cc(C[NH2+]Cc2cccc3c2OCCO3)c(C)n1-c1ccccc1 ZINC001179333511 1050677209 /nfs/dbraw/zinc/67/72/09/1050677209.db2.gz XMVSRHKPYNQRGU-UHFFFAOYSA-N 1 0 348.446 4.155 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000773813781 1050703653 /nfs/dbraw/zinc/70/36/53/1050703653.db2.gz WBZOAGRXWRLTQX-CQSZACIVSA-N 1 0 346.446 4.150 20 10 EICDRO CCCCOc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC001179489425 1050706533 /nfs/dbraw/zinc/70/65/33/1050706533.db2.gz NOCIPIVWPZIAQZ-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1F ZINC001179845392 1050795904 /nfs/dbraw/zinc/79/59/04/1050795904.db2.gz SDMYUVTUYVQMFX-INIZCTEOSA-N 1 0 344.474 4.211 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)ccc1N(C)C ZINC001179829332 1050802839 /nfs/dbraw/zinc/80/28/39/1050802839.db2.gz BVWUESFUCFSUBR-CQSZACIVSA-N 1 0 328.431 4.068 20 10 EICDRO CCCc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC001179969636 1050851242 /nfs/dbraw/zinc/85/12/42/1050851242.db2.gz JCTUCFVPPWOXJM-UHFFFAOYSA-N 1 0 344.524 4.422 20 10 EICDRO C[C@H]1CCN(Cc2ccc(Cl)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001180088507 1050863700 /nfs/dbraw/zinc/86/37/00/1050863700.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 1 0 344.886 4.142 20 10 EICDRO Cc1cc(O)c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077233 1050874370 /nfs/dbraw/zinc/87/43/70/1050874370.db2.gz OCNPRRCWLXYCCY-PXAZEXFGSA-N 1 0 337.872 4.378 20 10 EICDRO COc1ccc(C[C@@H]2CC[N@@H+]2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115667 1050890773 /nfs/dbraw/zinc/89/07/73/1050890773.db2.gz BMQLVOIZPJCJBF-NYPGBQQYSA-N 1 0 336.479 4.091 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c(O)c1OC ZINC001180497001 1051020683 /nfs/dbraw/zinc/02/06/83/1051020683.db2.gz AMARZDPXJOHWLX-UHFFFAOYSA-N 1 0 343.467 4.339 20 10 EICDRO COc1ccc(O)c(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001180540838 1051028948 /nfs/dbraw/zinc/02/89/48/1051028948.db2.gz UGUYZIVKJZHVKM-UHFFFAOYSA-N 1 0 329.827 4.344 20 10 EICDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)c1O ZINC001180601614 1051046908 /nfs/dbraw/zinc/04/69/08/1051046908.db2.gz AMLDKPWXJOPKFO-JOCHJYFZSA-N 1 0 347.458 4.445 20 10 EICDRO Cc1cccc([C@@H]2CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818487 1051089848 /nfs/dbraw/zinc/08/98/48/1051089848.db2.gz BFMKNZBXTYSASX-MRXNPFEDSA-N 1 0 330.422 4.329 20 10 EICDRO CC[C@@H]([NH2+]Cc1scnc1C)c1cc(Br)ccc1O ZINC000071212491 1051096229 /nfs/dbraw/zinc/09/62/29/1051096229.db2.gz UZKLEVIDYSZETJ-GFCCVEGCSA-N 1 0 341.274 4.161 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000183376632 1051102487 /nfs/dbraw/zinc/10/24/87/1051102487.db2.gz ZWWYHGRXQZAEPL-UHFFFAOYSA-N 1 0 340.467 4.023 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000775363984 1051129454 /nfs/dbraw/zinc/12/94/54/1051129454.db2.gz OJJBIOGEKMBIBU-CQSZACIVSA-N 1 0 334.410 4.247 20 10 EICDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000183466622 1051130804 /nfs/dbraw/zinc/13/08/04/1051130804.db2.gz LLOVQAHOFLFRLS-KBPBESRZSA-N 1 0 339.414 4.437 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC001181056516 1051138540 /nfs/dbraw/zinc/13/85/40/1051138540.db2.gz RQAQEPBIHHZIJR-FQEVSTJZSA-N 1 0 343.854 4.376 20 10 EICDRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000183646385 1051222781 /nfs/dbraw/zinc/22/27/81/1051222781.db2.gz AMDQOCYDHFWNMG-QGZVFWFLSA-N 1 0 339.483 4.016 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC001190692286 1051261155 /nfs/dbraw/zinc/26/11/55/1051261155.db2.gz VJCROUYEULCLJV-UHFFFAOYSA-N 1 0 326.459 4.346 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1O ZINC000775415979 1051290404 /nfs/dbraw/zinc/29/04/04/1051290404.db2.gz SJYPLJVCHFRAJZ-DOTOQJQBSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)cc1Cl ZINC001182432771 1051546239 /nfs/dbraw/zinc/54/62/39/1051546239.db2.gz FSDRUPUGRBZLBW-OAHLLOKOSA-N 1 0 346.902 4.449 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cc(Cl)ccc1O ZINC000775486506 1051559436 /nfs/dbraw/zinc/55/94/36/1051559436.db2.gz CJHJQAVZNFGFIR-INIZCTEOSA-N 1 0 334.847 4.469 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1O ZINC001175436062 1051590618 /nfs/dbraw/zinc/59/06/18/1051590618.db2.gz DJXPHHXQLXGDFS-UHFFFAOYSA-N 1 0 345.389 4.253 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492826 1051592030 /nfs/dbraw/zinc/59/20/30/1051592030.db2.gz SUVAPSGMFXLIAK-SWLSCSKDSA-N 1 0 348.878 4.165 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000775496227 1051599824 /nfs/dbraw/zinc/59/98/24/1051599824.db2.gz IABWOCJOMMTNQV-RHSMWYFYSA-N 1 0 327.424 4.183 20 10 EICDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)c(C)n1 ZINC000774475423 1051608847 /nfs/dbraw/zinc/60/88/47/1051608847.db2.gz SNEQHXHTKHHRKD-INIZCTEOSA-N 1 0 328.504 4.299 20 10 EICDRO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000775497152 1051609782 /nfs/dbraw/zinc/60/97/82/1051609782.db2.gz NLCSWRGVDQBKDS-SFHVURJKSA-N 1 0 341.842 4.472 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482087 1051610315 /nfs/dbraw/zinc/61/03/15/1051610315.db2.gz FPNKOHHLIDJEAC-KBPBESRZSA-N 1 0 345.874 4.084 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482089 1051610341 /nfs/dbraw/zinc/61/03/41/1051610341.db2.gz FPNKOHHLIDJEAC-UONOGXRCSA-N 1 0 345.874 4.084 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccccc1O ZINC000775497826 1051617580 /nfs/dbraw/zinc/61/75/80/1051617580.db2.gz VWBFPZJERCILSC-MRXNPFEDSA-N 1 0 327.424 4.139 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1O ZINC000775497799 1051618205 /nfs/dbraw/zinc/61/82/05/1051618205.db2.gz UVNJKWRXDGWPGM-KRWDZBQOSA-N 1 0 341.842 4.472 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)cc1OC ZINC001182534581 1051634054 /nfs/dbraw/zinc/63/40/54/1051634054.db2.gz WPLVVMHNXZSPAZ-ZBFHGGJFSA-N 1 0 333.472 4.058 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000775513730 1051662751 /nfs/dbraw/zinc/66/27/51/1051662751.db2.gz LGCMUOIWTWHHKA-XUJVJEKNSA-N 1 0 342.277 4.011 20 10 EICDRO CCOc1c(Cl)cccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001182686148 1051671923 /nfs/dbraw/zinc/67/19/23/1051671923.db2.gz XXUUPTMDHCVUEM-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO CC[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccccc1O ZINC000775522324 1051686943 /nfs/dbraw/zinc/68/69/43/1051686943.db2.gz MPQPOUJCVCCDLF-CQSZACIVSA-N 1 0 341.238 4.214 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)c1O ZINC001175612419 1051699650 /nfs/dbraw/zinc/69/96/50/1051699650.db2.gz RVNXTGIPHKBKMM-UHFFFAOYSA-N 1 0 342.826 4.362 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Cl)ccc1O ZINC000775523617 1051703130 /nfs/dbraw/zinc/70/31/30/1051703130.db2.gz LCBIQSQYUJZDIO-HNNXBMFYSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775525228 1051706187 /nfs/dbraw/zinc/70/61/87/1051706187.db2.gz IYSWSWFRIQUDJI-WMZOPIPTSA-N 1 0 337.822 4.133 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1cc(Cl)ccc1O ZINC000775526845 1051715191 /nfs/dbraw/zinc/71/51/91/1051715191.db2.gz MBRPBSHZOAVYES-UONOGXRCSA-N 1 0 325.861 4.190 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775528401 1051739616 /nfs/dbraw/zinc/73/96/16/1051739616.db2.gz YBLBSXPZGLXAHA-DPZKZMLUSA-N 1 0 337.822 4.348 20 10 EICDRO CO[C@H](C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C)CC(C)C ZINC001183179214 1051802451 /nfs/dbraw/zinc/80/24/51/1051802451.db2.gz BHFBZHOGXYLFFJ-NRFANRHFSA-N 1 0 328.500 4.287 20 10 EICDRO CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775552297 1051823448 /nfs/dbraw/zinc/82/34/48/1051823448.db2.gz UERRTHBZGADWPI-PBHICJAKSA-N 1 0 337.847 4.327 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC001183355117 1051826387 /nfs/dbraw/zinc/82/63/87/1051826387.db2.gz KTFWIBZCOFLPIZ-ZIAGYGMSSA-N 1 0 346.858 4.422 20 10 EICDRO COC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCCCC1 ZINC000775562023 1051850445 /nfs/dbraw/zinc/85/04/45/1051850445.db2.gz ALUKVDFYLPUMIR-LBPRGKRZSA-N 1 0 342.277 4.155 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(C)c1OC ZINC001183951349 1051930590 /nfs/dbraw/zinc/93/05/90/1051930590.db2.gz XNFDFYTYUVAXJL-UHFFFAOYSA-N 1 0 337.419 4.161 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](Cc1ccccc1)OC ZINC001193838986 1051996301 /nfs/dbraw/zinc/99/63/01/1051996301.db2.gz OKHFJUKLPQEQEJ-HXUWFJFHSA-N 1 0 327.468 4.252 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC001203614296 1052214483 /nfs/dbraw/zinc/21/44/83/1052214483.db2.gz VBXJCDUAPYOLJX-OAHLLOKOSA-N 1 0 331.843 4.434 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177087384 1052228623 /nfs/dbraw/zinc/22/86/23/1052228623.db2.gz ZQVBCARAXILOGJ-UHFFFAOYSA-N 1 0 348.494 4.125 20 10 EICDRO CCCCOCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001177092556 1052229008 /nfs/dbraw/zinc/22/90/08/1052229008.db2.gz HINRUXMVJIOAJQ-UHFFFAOYSA-N 1 0 332.410 4.068 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000184835991 1052246296 /nfs/dbraw/zinc/24/62/96/1052246296.db2.gz ZLKLXXZAGMTFOY-DOTOQJQBSA-N 1 0 330.497 4.250 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000184835739 1052247210 /nfs/dbraw/zinc/24/72/10/1052247210.db2.gz HVNLGJUXPADZTD-NVXWUHKLSA-N 1 0 330.497 4.250 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000184944563 1052328617 /nfs/dbraw/zinc/32/86/17/1052328617.db2.gz UECYBRDNEVVYBT-DJJJIMSYSA-N 1 0 325.383 4.069 20 10 EICDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc2ccccc2c1O ZINC000184992831 1052346774 /nfs/dbraw/zinc/34/67/74/1052346774.db2.gz ANPOANIWRDSJCV-LBPRGKRZSA-N 1 0 327.346 4.165 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCOc2ccc(F)cc2)c1 ZINC000184995414 1052352259 /nfs/dbraw/zinc/35/22/59/1052352259.db2.gz NSSVXPXTCLUHDI-CQSZACIVSA-N 1 0 333.403 4.050 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000185007823 1052360442 /nfs/dbraw/zinc/36/04/42/1052360442.db2.gz MJIRZPIUHPRFIA-QGZVFWFLSA-N 1 0 325.452 4.100 20 10 EICDRO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cc(F)ccc1O ZINC000185010539 1052360817 /nfs/dbraw/zinc/36/08/17/1052360817.db2.gz CMDYCJBNPQYYTC-CYBMUJFWSA-N 1 0 330.403 4.099 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185045242 1052377946 /nfs/dbraw/zinc/37/79/46/1052377946.db2.gz CALNBDUZBYPUBN-OAHLLOKOSA-N 1 0 326.440 4.290 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc2ccccc2c1O ZINC000185095689 1052408952 /nfs/dbraw/zinc/40/89/52/1052408952.db2.gz BLWPWRWBKXZROH-DJJJIMSYSA-N 1 0 325.383 4.069 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107290 1052434046 /nfs/dbraw/zinc/43/40/46/1052434046.db2.gz YWJBHBJPBQHYBC-WMLDXEAASA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107325 1052434068 /nfs/dbraw/zinc/43/40/68/1052434068.db2.gz YWJBHBJPBQHYBC-RHSMWYFYSA-N 1 0 327.424 4.274 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c(O)c1 ZINC000185126751 1052447333 /nfs/dbraw/zinc/44/73/33/1052447333.db2.gz JXNDJHCLLLBLRG-GOSISDBHSA-N 1 0 339.479 4.408 20 10 EICDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000185147504 1052478611 /nfs/dbraw/zinc/47/86/11/1052478611.db2.gz VNFVRVNBDZRFMJ-OAHLLOKOSA-N 1 0 329.440 4.001 20 10 EICDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000185319348 1052580762 /nfs/dbraw/zinc/58/07/62/1052580762.db2.gz JFLJPLVJJUHPPI-CQSZACIVSA-N 1 0 339.439 4.335 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1O ZINC000185406994 1052595619 /nfs/dbraw/zinc/59/56/19/1052595619.db2.gz GFEWKQUMFINDER-XCLFUZPHSA-N 1 0 325.383 4.069 20 10 EICDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185559379 1052639530 /nfs/dbraw/zinc/63/95/30/1052639530.db2.gz XCCQYKFAQDHAOD-KBPBESRZSA-N 1 0 337.467 4.178 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658522 1052666552 /nfs/dbraw/zinc/66/65/52/1052666552.db2.gz UJPPULHSMWNBEM-HBFSDRIKSA-N 1 0 338.495 4.404 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c1 ZINC000185720657 1052685767 /nfs/dbraw/zinc/68/57/67/1052685767.db2.gz VUZITRZVXNDNCI-SUMWQHHRSA-N 1 0 327.449 4.300 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000186003074 1052841128 /nfs/dbraw/zinc/84/11/28/1052841128.db2.gz NLXBKUHMJQPWHA-YVEFUNNKSA-N 1 0 339.357 4.104 20 10 EICDRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000764140151 1053034568 /nfs/dbraw/zinc/03/45/68/1053034568.db2.gz AIRIAQYWVPNITH-NRFANRHFSA-N 1 0 342.458 4.245 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cc4c(cccc4C)[nH]3)CC2)cc1 ZINC000850114190 1053074489 /nfs/dbraw/zinc/07/44/89/1053074489.db2.gz BGWKUKHGEVJYCN-UHFFFAOYSA-N 1 0 349.478 4.244 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850117423 1053076130 /nfs/dbraw/zinc/07/61/30/1053076130.db2.gz BLNTYXUMHPTGQZ-LBPRGKRZSA-N 1 0 334.485 4.314 20 10 EICDRO COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850246859 1053098044 /nfs/dbraw/zinc/09/80/44/1053098044.db2.gz YJKKJCSXVAPYNP-LBPRGKRZSA-N 1 0 348.512 4.357 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)c(O)c(C(C)(C)C)c1 ZINC000850284648 1053107016 /nfs/dbraw/zinc/10/70/16/1053107016.db2.gz KSRSPYFWODPGJX-UHFFFAOYSA-N 1 0 348.874 4.345 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1F ZINC000850387305 1053156797 /nfs/dbraw/zinc/15/67/97/1053156797.db2.gz QTYBLRQMCTZAGZ-IBGZPJMESA-N 1 0 328.431 4.155 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764528173 1053157849 /nfs/dbraw/zinc/15/78/49/1053157849.db2.gz OKXKBEVRMQMKAC-UXHICEINSA-N 1 0 341.499 4.223 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c(O)c(C(C)(C)C)c1 ZINC000850387548 1053158237 /nfs/dbraw/zinc/15/82/37/1053158237.db2.gz UMZLIMCPTKHOGX-LJQANCHMSA-N 1 0 341.451 4.181 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000850406432 1053176052 /nfs/dbraw/zinc/17/60/52/1053176052.db2.gz GSCHKMJFYXJHCA-OAHLLOKOSA-N 1 0 344.886 4.152 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000850437194 1053211060 /nfs/dbraw/zinc/21/10/60/1053211060.db2.gz ZYMPTUZDPGEUJI-ZDUSSCGKSA-N 1 0 348.288 4.069 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000794661617 1053239697 /nfs/dbraw/zinc/23/96/97/1053239697.db2.gz PWNHRXKYRIMSSL-RISCZKNCSA-N 1 0 345.405 4.471 20 10 EICDRO COc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1C ZINC000101601341 1053250629 /nfs/dbraw/zinc/25/06/29/1053250629.db2.gz ADDJXRBNQWWTBQ-UHFFFAOYSA-N 1 0 328.431 4.033 20 10 EICDRO CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1cc(Cl)ccc1O ZINC000850505228 1053263560 /nfs/dbraw/zinc/26/35/60/1053263560.db2.gz PNESCOGFABJNOC-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513803 1053272185 /nfs/dbraw/zinc/27/21/85/1053272185.db2.gz JPVVBKNTSMBTCI-BEFAXECRSA-N 1 0 329.440 4.056 20 10 EICDRO COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(OC)c1 ZINC000850514097 1053272303 /nfs/dbraw/zinc/27/23/03/1053272303.db2.gz LJWVANSQHQVQII-JLZZUVOBSA-N 1 0 345.414 4.066 20 10 EICDRO COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(OC)c1 ZINC000850514094 1053273234 /nfs/dbraw/zinc/27/32/34/1053273234.db2.gz LJWVANSQHQVQII-DQYPLSBCSA-N 1 0 345.414 4.066 20 10 EICDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850515521 1053274274 /nfs/dbraw/zinc/27/42/74/1053274274.db2.gz YALAEJVEUVMHLX-YVEFUNNKSA-N 1 0 335.831 4.093 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764717570 1053280031 /nfs/dbraw/zinc/28/00/31/1053280031.db2.gz RUFNXXSAUKEMAU-APWZRJJASA-N 1 0 326.484 4.041 20 10 EICDRO COCc1csc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000850532921 1053298079 /nfs/dbraw/zinc/29/80/79/1053298079.db2.gz PCPBCMCLSSRFJV-LLVKDONJSA-N 1 0 325.861 4.413 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C)cc1O ZINC000850557345 1053311166 /nfs/dbraw/zinc/31/11/66/1053311166.db2.gz WPWAURKMGFUKBW-SESVDKBCSA-N 1 0 327.468 4.500 20 10 EICDRO COc1ccc(C[N@H+](Cc2cc(OC)ccc2O)[C@H](C)C2CC2)cc1 ZINC000775644357 1053312579 /nfs/dbraw/zinc/31/25/79/1053312579.db2.gz IWNNZOATIFCOQE-OAHLLOKOSA-N 1 0 341.451 4.210 20 10 EICDRO COc1cccc(C2([NH2+][C@H](C)c3cc(OC)ccc3O)CCC2)c1 ZINC000850566680 1053319140 /nfs/dbraw/zinc/31/91/40/1053319140.db2.gz PUTQVYYQLKYIQN-CQSZACIVSA-N 1 0 327.424 4.139 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850566755 1053319834 /nfs/dbraw/zinc/31/98/34/1053319834.db2.gz SCKPZKPLGUHKSN-HNNXBMFYSA-N 1 0 344.524 4.122 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(C)c1 ZINC000850567346 1053323354 /nfs/dbraw/zinc/32/33/54/1053323354.db2.gz AEWPUKLQAHOMEL-QFIPXVFZSA-N 1 0 338.495 4.197 20 10 EICDRO C[C@@H]([NH2+]CCC1SCCS1)c1cc(Br)ccc1O ZINC000850571385 1053325495 /nfs/dbraw/zinc/32/54/95/1053325495.db2.gz UXAIEBIYRBBUPX-SECBINFHSA-N 1 0 348.331 4.002 20 10 EICDRO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc2ccccc2c1O ZINC000850573789 1053330069 /nfs/dbraw/zinc/33/00/69/1053330069.db2.gz RBTFXYLLAJCGHR-HNNXBMFYSA-N 1 0 340.467 4.022 20 10 EICDRO CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000850584687 1053336301 /nfs/dbraw/zinc/33/63/01/1053336301.db2.gz TWDAAJQCLBRLOW-SFHVURJKSA-N 1 0 336.907 4.208 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000775648440 1053340699 /nfs/dbraw/zinc/34/06/99/1053340699.db2.gz UVZOXOJNERGHMR-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000764878703 1053352491 /nfs/dbraw/zinc/35/24/91/1053352491.db2.gz DXOBDVLWSRPILR-MRXNPFEDSA-N 1 0 329.513 4.335 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c(O)c1 ZINC000776499045 1053379926 /nfs/dbraw/zinc/37/99/26/1053379926.db2.gz SITUSCZIMSLWKT-KRWDZBQOSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C)cc1O ZINC000794800987 1053384820 /nfs/dbraw/zinc/38/48/20/1053384820.db2.gz HHBNAYGNQLSDKH-SFHVURJKSA-N 1 0 336.435 4.498 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1O ZINC000794803704 1053397256 /nfs/dbraw/zinc/39/72/56/1053397256.db2.gz SAFKBADXSBPQBQ-HNAYVOBHSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)cc1O ZINC000794810987 1053416211 /nfs/dbraw/zinc/41/62/11/1053416211.db2.gz AWDJWOPFEWZXNH-FQEVSTJZSA-N 1 0 339.483 4.016 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1O ZINC000794828982 1053440338 /nfs/dbraw/zinc/44/03/38/1053440338.db2.gz QCOSDNPEYOAHEQ-WMZOPIPTSA-N 1 0 337.822 4.267 20 10 EICDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765081962 1053440868 /nfs/dbraw/zinc/44/08/68/1053440868.db2.gz WWZXHTDGSDZUHH-CQSZACIVSA-N 1 0 344.421 4.066 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000765288177 1053494650 /nfs/dbraw/zinc/49/46/50/1053494650.db2.gz VNLSFZWHCKTIAN-FQEVSTJZSA-N 1 0 348.506 4.235 20 10 EICDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765299062 1053497362 /nfs/dbraw/zinc/49/73/62/1053497362.db2.gz ZMNWVIIJDJGULO-DYESRHJHSA-N 1 0 332.532 4.200 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120568339 1053517865 /nfs/dbraw/zinc/51/78/65/1053517865.db2.gz BTRKMHILLYIJOX-IBGZPJMESA-N 1 0 327.428 4.292 20 10 EICDRO COc1ccc2ccc(O)c(C[NH+]3CCC(OC(C)(C)C)CC3)c2c1 ZINC000120590628 1053521560 /nfs/dbraw/zinc/52/15/60/1053521560.db2.gz ZYJRQHWOXPIIHX-UHFFFAOYSA-N 1 0 343.467 4.334 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391432 1053527304 /nfs/dbraw/zinc/52/73/04/1053527304.db2.gz FLVCXQUXGPBNDM-KUHUBIRLSA-N 1 0 328.431 4.456 20 10 EICDRO CSc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000851898671 1053531395 /nfs/dbraw/zinc/53/13/95/1053531395.db2.gz XCTGUKPXHZLMIT-MRXNPFEDSA-N 1 0 342.508 4.096 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000775710459 1053641913 /nfs/dbraw/zinc/64/19/13/1053641913.db2.gz KVLHUHDQWZXUDL-IFXJQAMLSA-N 1 0 329.465 4.079 20 10 EICDRO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c(C)c1 ZINC001196338721 1053645116 /nfs/dbraw/zinc/64/51/16/1053645116.db2.gz MIDOGFMLDIVOCB-UHFFFAOYSA-N 1 0 337.511 4.000 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242355 1053657757 /nfs/dbraw/zinc/65/77/57/1053657757.db2.gz PMUKZNYNYWAPIT-YJBOKZPZSA-N 1 0 333.435 4.224 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240810 1053657863 /nfs/dbraw/zinc/65/78/63/1053657863.db2.gz ILHQNPKIPXUVPS-OXJNMPFZSA-N 1 0 346.478 4.276 20 10 EICDRO CC[C@@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754117 1053661714 /nfs/dbraw/zinc/66/17/14/1053661714.db2.gz MTSHSUAXACWXNJ-FUHWJXTLSA-N 1 0 329.440 4.193 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001205773733 1053662109 /nfs/dbraw/zinc/66/21/09/1053662109.db2.gz RQLPHILAEALWRT-JKSUJKDBSA-N 1 0 327.299 4.077 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000121039368 1053702292 /nfs/dbraw/zinc/70/22/92/1053702292.db2.gz YBWSXQBOBOZXRI-HNNXBMFYSA-N 1 0 336.426 4.203 20 10 EICDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001196614399 1053714627 /nfs/dbraw/zinc/71/46/27/1053714627.db2.gz OFQVVEBDNHXIBR-LLHWWHOWSA-N 1 0 342.527 4.480 20 10 EICDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775733697 1053715008 /nfs/dbraw/zinc/71/50/08/1053715008.db2.gz HFPIIGFVWNSSJF-GOSISDBHSA-N 1 0 335.451 4.023 20 10 EICDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000121060256 1053730389 /nfs/dbraw/zinc/73/03/89/1053730389.db2.gz YBCUNDTUEWFTJE-SIFCLUCFSA-N 1 0 330.447 4.055 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1O ZINC000866485452 1053750093 /nfs/dbraw/zinc/75/00/93/1053750093.db2.gz LKXWHBYNIQWECP-IUODEOHRSA-N 1 0 326.396 4.349 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(OC)c1OC ZINC000866508834 1053757783 /nfs/dbraw/zinc/75/77/83/1053757783.db2.gz SBCOIAMUAMXBOZ-LRDDRELGSA-N 1 0 333.403 4.350 20 10 EICDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000866512007 1053760680 /nfs/dbraw/zinc/76/06/80/1053760680.db2.gz HHXBZNZGEORENN-GZRFBZBPSA-N 1 0 325.452 4.401 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000866541446 1053774632 /nfs/dbraw/zinc/77/46/32/1053774632.db2.gz MAODXFIRPGVVSM-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1OC(F)F ZINC000765607302 1053799359 /nfs/dbraw/zinc/79/93/59/1053799359.db2.gz AAZGNGKKULHJMM-LLVKDONJSA-N 1 0 337.341 4.213 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2noc3cc(F)ccc32)c2c1c(F)ccc2O ZINC000866612217 1053804471 /nfs/dbraw/zinc/80/44/71/1053804471.db2.gz FGRDPCZQPRWVHM-TVQRCGJNSA-N 1 0 330.334 4.150 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1O ZINC000866633126 1053811377 /nfs/dbraw/zinc/81/13/77/1053811377.db2.gz FZHBPEXRGGBCQH-KBPBESRZSA-N 1 0 339.361 4.183 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632085 1053811617 /nfs/dbraw/zinc/81/16/17/1053811617.db2.gz HUKDEFSPWJIZIK-YLJYHZDGSA-N 1 0 338.499 4.449 20 10 EICDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765642564 1053829501 /nfs/dbraw/zinc/82/95/01/1053829501.db2.gz DKBFNOQRBCBRLG-RDTXWAMCSA-N 1 0 338.442 4.425 20 10 EICDRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765677671 1053837499 /nfs/dbraw/zinc/83/74/99/1053837499.db2.gz FZAZXAWYPSEPQN-IBGZPJMESA-N 1 0 338.495 4.275 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536863 1053838307 /nfs/dbraw/zinc/83/83/07/1053838307.db2.gz GPYDEVFDPKBDJH-HUUCEWRRSA-N 1 0 346.421 4.213 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c1O ZINC000776808220 1053907907 /nfs/dbraw/zinc/90/79/07/1053907907.db2.gz MFGUELGWHOWEEI-GFCCVEGCSA-N 1 0 328.437 4.251 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c(O)c1 ZINC000776809658 1053918412 /nfs/dbraw/zinc/91/84/12/1053918412.db2.gz TYRGCXOHYXASOB-GFCCVEGCSA-N 1 0 328.437 4.251 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1F ZINC000113326742 1053925018 /nfs/dbraw/zinc/92/50/18/1053925018.db2.gz XFOFSPZLODOCMK-KRWDZBQOSA-N 1 0 332.394 4.034 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776816156 1053945780 /nfs/dbraw/zinc/94/57/80/1053945780.db2.gz NNPBIGXAPRMSPL-CQSZACIVSA-N 1 0 329.749 4.481 20 10 EICDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000765757143 1054137199 /nfs/dbraw/zinc/13/71/99/1054137199.db2.gz FJUZUVDNLDBYCF-SFHVURJKSA-N 1 0 348.494 4.484 20 10 EICDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)c(Cl)n1 ZINC000857012073 1054152023 /nfs/dbraw/zinc/15/20/23/1054152023.db2.gz VAIHKSYXNXIQGH-UHFFFAOYSA-N 1 0 333.863 4.114 20 10 EICDRO CCOc1cncc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000857021893 1054153152 /nfs/dbraw/zinc/15/31/52/1054153152.db2.gz YOBBIRDHTPUSET-UHFFFAOYSA-N 1 0 326.440 4.131 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001198900697 1054294259 /nfs/dbraw/zinc/29/42/59/1054294259.db2.gz KFPZWPXOVOHIDU-UFTUAFODSA-N 1 0 349.522 4.193 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1F ZINC001198901102 1054294502 /nfs/dbraw/zinc/29/45/02/1054294502.db2.gz POSHSTKSILYAOX-UHFFFAOYSA-N 1 0 343.826 4.347 20 10 EICDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776952387 1054338462 /nfs/dbraw/zinc/33/84/62/1054338462.db2.gz INBLKCWIAOTCTC-CTNGQTDRSA-N 1 0 330.516 4.360 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038219 1054353397 /nfs/dbraw/zinc/35/33/97/1054353397.db2.gz LQBKHDZDBYMKQM-JTQLQIEISA-N 1 0 341.433 4.023 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)c1 ZINC000115618535 1054364127 /nfs/dbraw/zinc/36/41/27/1054364127.db2.gz CJSXWUVCMQLRJI-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCSC(F)(F)F)c(C(F)(F)F)c1 ZINC001199310535 1054386307 /nfs/dbraw/zinc/38/63/07/1054386307.db2.gz YGEMSEIBSUVNBE-UHFFFAOYSA-N 1 0 346.340 4.114 20 10 EICDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001199376835 1054400450 /nfs/dbraw/zinc/40/04/50/1054400450.db2.gz QJIYBQLMKVYCCL-PXNSSMCTSA-N 1 0 330.541 4.322 20 10 EICDRO CCCc1cccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC001199376534 1054400522 /nfs/dbraw/zinc/40/05/22/1054400522.db2.gz KGFPWFJNCGCEFA-UHFFFAOYSA-N 1 0 340.536 4.482 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccncc3)cs2)c(O)c1C ZINC000872122166 1054400756 /nfs/dbraw/zinc/40/07/56/1054400756.db2.gz UCIFDNAWOWBOKZ-AWEZNQCLSA-N 1 0 339.464 4.378 20 10 EICDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129851 1054403696 /nfs/dbraw/zinc/40/36/96/1054403696.db2.gz ZVHGIKICQNWDRJ-MISXGVKJSA-N 1 0 330.359 4.339 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000872133116 1054408279 /nfs/dbraw/zinc/40/82/79/1054408279.db2.gz KKJYXALEDUQURA-BXUZGUMPSA-N 1 0 339.361 4.311 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(C(F)(F)F)c1 ZINC000858088435 1054412731 /nfs/dbraw/zinc/41/27/31/1054412731.db2.gz DUIVWPJMGCRRDL-UHFFFAOYSA-N 1 0 338.373 4.070 20 10 EICDRO COc1ccc(O)c(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000775994953 1054434875 /nfs/dbraw/zinc/43/48/75/1054434875.db2.gz OCRLXMUGNXRSRJ-IBGZPJMESA-N 1 0 340.467 4.331 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)COc2cccc(C)c2)ccc1OC ZINC001199629804 1054435227 /nfs/dbraw/zinc/43/52/27/1054435227.db2.gz NJWOHZREDMRILY-KRWDZBQOSA-N 1 0 343.467 4.097 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000858239866 1054444593 /nfs/dbraw/zinc/44/45/93/1054444593.db2.gz VCCQNNMYPCABND-UHFFFAOYSA-N 1 0 338.373 4.075 20 10 EICDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000124084570 1054445027 /nfs/dbraw/zinc/44/50/27/1054445027.db2.gz VSIQLWMPTLXWOM-SFHVURJKSA-N 1 0 338.495 4.327 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)c1 ZINC000858239775 1054445787 /nfs/dbraw/zinc/44/57/87/1054445787.db2.gz SZAOPKGOIGLOID-UHFFFAOYSA-N 1 0 343.320 4.071 20 10 EICDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)C(F)(F)F ZINC000777012951 1054454119 /nfs/dbraw/zinc/45/41/19/1054454119.db2.gz SNOYSOACHSPEAS-WBMJQRKESA-N 1 0 348.384 4.044 20 10 EICDRO COc1cccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c1O ZINC000124158690 1054454605 /nfs/dbraw/zinc/45/46/05/1054454605.db2.gz KHVROLSODSTSRC-UHFFFAOYSA-N 1 0 346.496 4.237 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)c(O)c1 ZINC000858291885 1054455987 /nfs/dbraw/zinc/45/59/87/1054455987.db2.gz NZEPGHNNRKWJCO-UHFFFAOYSA-N 1 0 346.377 4.431 20 10 EICDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199742862 1054460137 /nfs/dbraw/zinc/46/01/37/1054460137.db2.gz OVGWXOGDJLEJRC-XVWMLYKFSA-N 1 0 346.421 4.101 20 10 EICDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825635287 1054469748 /nfs/dbraw/zinc/46/97/48/1054469748.db2.gz YTUFIVPXGGSQIF-NSHDSACASA-N 1 0 340.183 4.221 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1Cn1cccn1 ZINC000873008715 1054477724 /nfs/dbraw/zinc/47/77/24/1054477724.db2.gz BFWBYUUEYYQXFQ-JOCHJYFZSA-N 1 0 347.462 4.181 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1C ZINC000873025637 1054478542 /nfs/dbraw/zinc/47/85/42/1054478542.db2.gz DKGUDUGKAXQABW-KRWDZBQOSA-N 1 0 326.440 4.052 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC001203942846 1054480282 /nfs/dbraw/zinc/48/02/82/1054480282.db2.gz ULALQEMWLTWRBM-UHFFFAOYSA-N 1 0 342.483 4.182 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000858442784 1054491263 /nfs/dbraw/zinc/49/12/63/1054491263.db2.gz MKJDCKAITQAMCQ-AZUAARDMSA-N 1 0 329.440 4.138 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445539 1054491587 /nfs/dbraw/zinc/49/15/87/1054491587.db2.gz MQHDNBIDEHISNZ-FPOVZHCZSA-N 1 0 339.479 4.472 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000873169324 1054496910 /nfs/dbraw/zinc/49/69/10/1054496910.db2.gz KGNZQSHWLPGCDF-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc32)cc1C ZINC001199924263 1054497486 /nfs/dbraw/zinc/49/74/86/1054497486.db2.gz DTSMBNREBCPXTM-SFHVURJKSA-N 1 0 338.495 4.325 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000873186298 1054503488 /nfs/dbraw/zinc/50/34/88/1054503488.db2.gz LNUILXBIYXYBMW-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1O ZINC000776042061 1054506682 /nfs/dbraw/zinc/50/66/82/1054506682.db2.gz OLKRNUUBZXESJN-INIZCTEOSA-N 1 0 335.806 4.497 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)c1O ZINC000858590619 1054529250 /nfs/dbraw/zinc/52/92/50/1054529250.db2.gz BHIXHFDXJSVEOV-GFCCVEGCSA-N 1 0 339.357 4.356 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)c1 ZINC000116348339 1054567138 /nfs/dbraw/zinc/56/71/38/1054567138.db2.gz RGSVAOWFKHRJFD-UHFFFAOYSA-N 1 0 341.451 4.359 20 10 EICDRO COc1ccc(O)c(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000776123652 1054573956 /nfs/dbraw/zinc/57/39/56/1054573956.db2.gz RKPNLDUYQAROFJ-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO CCCC[C@@H](CCC)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001201055873 1054633717 /nfs/dbraw/zinc/63/37/17/1054633717.db2.gz XFOYHJCGDPMUTH-GOSISDBHSA-N 1 0 332.532 4.344 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 ZINC000124888534 1054633920 /nfs/dbraw/zinc/63/39/20/1054633920.db2.gz XTBNUNBKSSYYEI-KKSFZXQISA-N 1 0 342.458 4.200 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)ccc1O)CC2 ZINC000776174136 1054803148 /nfs/dbraw/zinc/80/31/48/1054803148.db2.gz ANFJDIYHLHGWRX-INIZCTEOSA-N 1 0 332.241 4.240 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(Cl)c1 ZINC001201550127 1054839831 /nfs/dbraw/zinc/83/98/31/1054839831.db2.gz ZCCYLDDVRVKQLJ-QGZVFWFLSA-N 1 0 347.886 4.246 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)cc1C ZINC001201786097 1054919028 /nfs/dbraw/zinc/91/90/28/1054919028.db2.gz GRROKRQLRQGGJQ-NVXWUHKLSA-N 1 0 333.497 4.447 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876522412 1054927652 /nfs/dbraw/zinc/92/76/52/1054927652.db2.gz QCHHXYJLPARTGP-UHFFFAOYSA-N 1 0 331.847 4.171 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCCc2cnn(C(C)C)c21 ZINC001201889410 1054936823 /nfs/dbraw/zinc/93/68/23/1054936823.db2.gz ODONEMSKFGYWDE-SFHVURJKSA-N 1 0 336.483 4.431 20 10 EICDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126115341 1054946462 /nfs/dbraw/zinc/94/64/62/1054946462.db2.gz HMKHDEMUYAEIOC-HOTGVXAUSA-N 1 0 334.479 4.282 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010798 1054978640 /nfs/dbraw/zinc/97/86/40/1054978640.db2.gz QKHGXTJZCHWZIV-RTLBZRNLSA-N 1 0 326.415 4.018 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1nc(C(F)(F)F)cs1 ZINC000877067942 1055010752 /nfs/dbraw/zinc/01/07/52/1055010752.db2.gz JYINPUGCJHJQFM-LLVKDONJSA-N 1 0 330.375 4.417 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)c(O)c1 ZINC000877113710 1055020194 /nfs/dbraw/zinc/02/01/94/1055020194.db2.gz PGRLIFOYHJYXHU-UHFFFAOYSA-N 1 0 339.357 4.069 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001202084075 1055023461 /nfs/dbraw/zinc/02/34/61/1055023461.db2.gz RYIGITWRBLTBBC-JTSKRJEESA-N 1 0 335.495 4.268 20 10 EICDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336609 1055043230 /nfs/dbraw/zinc/04/32/30/1055043230.db2.gz LCBOETKVNHNHCW-FXAWDEMLSA-N 1 0 329.415 4.192 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000777259172 1055070014 /nfs/dbraw/zinc/07/00/14/1055070014.db2.gz OSHKRQCEXSYWEP-HAGHYFMRSA-N 1 0 328.500 4.141 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1 ZINC001202176356 1055071028 /nfs/dbraw/zinc/07/10/28/1055071028.db2.gz OYXABYMJORKAQM-JOCHJYFZSA-N 1 0 340.511 4.445 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(N(C)C)cc1 ZINC000777259177 1055071290 /nfs/dbraw/zinc/07/12/90/1055071290.db2.gz OSHKRQCEXSYWEP-VNTMZGSJSA-N 1 0 328.500 4.141 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CC(F)(F)F)cc2)c1 ZINC000877532822 1055073493 /nfs/dbraw/zinc/07/34/93/1055073493.db2.gz IEFWDCWFUWHXIG-GFCCVEGCSA-N 1 0 339.357 4.356 20 10 EICDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776257579 1055078349 /nfs/dbraw/zinc/07/83/49/1055078349.db2.gz YMTKWYLFGCQSJN-LBPRGKRZSA-N 1 0 349.272 4.271 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000862547911 1055081448 /nfs/dbraw/zinc/08/14/48/1055081448.db2.gz SUEOACHRKADISA-UHFFFAOYSA-N 1 0 336.401 4.456 20 10 EICDRO Cc1cccc(O)c1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000877618419 1055091931 /nfs/dbraw/zinc/09/19/31/1055091931.db2.gz SVVQGYUVWQQWDH-UHFFFAOYSA-N 1 0 333.435 4.023 20 10 EICDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cc1C ZINC000776256667 1055093637 /nfs/dbraw/zinc/09/36/37/1055093637.db2.gz FSISZSTUXFEUGI-UHFFFAOYSA-N 1 0 341.451 4.249 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000877659198 1055100816 /nfs/dbraw/zinc/10/08/16/1055100816.db2.gz LHQYNVSLUNWSJO-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)s1 ZINC000877684954 1055106619 /nfs/dbraw/zinc/10/66/19/1055106619.db2.gz FTGUJZYEZBXVAX-SECBINFHSA-N 1 0 341.274 4.079 20 10 EICDRO CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000877756623 1055114447 /nfs/dbraw/zinc/11/44/47/1055114447.db2.gz ZLBDMYRQOPJHAT-HUUCEWRRSA-N 1 0 329.440 4.429 20 10 EICDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756288 1055114830 /nfs/dbraw/zinc/11/48/30/1055114830.db2.gz FKLMHGCDHVXTQY-HUUCEWRRSA-N 1 0 326.440 4.023 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1O ZINC000877757116 1055115509 /nfs/dbraw/zinc/11/55/09/1055115509.db2.gz HKNLEPOIUMAYEZ-NSHDSACASA-N 1 0 343.320 4.323 20 10 EICDRO CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC(F)(F)C1 ZINC000877834578 1055129249 /nfs/dbraw/zinc/12/92/49/1055129249.db2.gz VMMSPXNNJLGOHQ-UHFFFAOYSA-N 1 0 333.378 4.249 20 10 EICDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542809 1055227667 /nfs/dbraw/zinc/22/76/67/1055227667.db2.gz ZXGQMWYUKDHWGX-XLIONFOSSA-N 1 0 327.516 4.002 20 10 EICDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3c(C)cc(C)cc3O)CCO2)cc1 ZINC001168615902 1055448209 /nfs/dbraw/zinc/44/82/09/1055448209.db2.gz PSNOUIILMZWUGP-DYESRHJHSA-N 1 0 341.451 4.028 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1C ZINC000765810776 1055459483 /nfs/dbraw/zinc/45/94/83/1055459483.db2.gz SLAFZQSNDHPGAF-IFXJQAMLSA-N 1 0 333.859 4.221 20 10 EICDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000765848432 1055872318 /nfs/dbraw/zinc/87/23/18/1055872318.db2.gz LUMPTTDOBGTREQ-HOTGVXAUSA-N 1 0 342.483 4.052 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000765882046 1056055526 /nfs/dbraw/zinc/05/55/26/1056055526.db2.gz QFAAQNLIHDQYRH-ZHRRBRCNSA-N 1 0 334.463 4.290 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cc(F)ccc1O ZINC000186501745 1056745371 /nfs/dbraw/zinc/74/53/71/1056745371.db2.gz GMDBLEGNLGNEHM-OAHLLOKOSA-N 1 0 328.431 4.372 20 10 EICDRO CC(C)(C)c1cc(C[NH2+][C@H](CCO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000741258600 1058185871 /nfs/dbraw/zinc/18/58/71/1058185871.db2.gz QRZZGCAIZCJNJA-GOSISDBHSA-N 1 0 333.516 4.238 20 10 EICDRO Cc1cc(CC[NH2+]Cc2cn3ccccc3n2)c(C)n1-c1ccccc1 ZINC000741937051 1058468765 /nfs/dbraw/zinc/46/87/65/1058468765.db2.gz NAWXRSVKBQYQKJ-UHFFFAOYSA-N 1 0 344.462 4.074 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000742163545 1058525965 /nfs/dbraw/zinc/52/59/65/1058525965.db2.gz SPBGYVWAMGTCQY-JOCHJYFZSA-N 1 0 333.431 4.427 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167424 1058529956 /nfs/dbraw/zinc/52/99/56/1058529956.db2.gz FVSRFMNRVBUXCS-OPAMFIHVSA-N 1 0 337.463 4.151 20 10 EICDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)c1C ZINC000742153153 1058535186 /nfs/dbraw/zinc/53/51/86/1058535186.db2.gz OYWVGNZUURFGES-KRWDZBQOSA-N 1 0 325.408 4.075 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1C ZINC000742366763 1058576150 /nfs/dbraw/zinc/57/61/50/1058576150.db2.gz QFJWOPLNXIRCNT-UHFFFAOYSA-N 1 0 334.419 4.486 20 10 EICDRO COc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1C ZINC000742380503 1058579727 /nfs/dbraw/zinc/57/97/27/1058579727.db2.gz NCCNATAIEFRQRJ-UHFFFAOYSA-N 1 0 328.843 4.471 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000742384038 1058583971 /nfs/dbraw/zinc/58/39/71/1058583971.db2.gz ZIHQNXLDNFRRSG-OAHLLOKOSA-N 1 0 337.250 4.283 20 10 EICDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000742369415 1058596758 /nfs/dbraw/zinc/59/67/58/1058596758.db2.gz FYTMRWZCTXPNQT-GOEBONIOSA-N 1 0 338.442 4.425 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@@H]3c3ccccc3)c2c1 ZINC000743401510 1058980788 /nfs/dbraw/zinc/98/07/88/1058980788.db2.gz BHWSUXZCGAMVAK-OAQYLSRUSA-N 1 0 349.430 4.128 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000743839551 1059143886 /nfs/dbraw/zinc/14/38/86/1059143886.db2.gz KFOIZBMPLGNMIL-HXUWFJFHSA-N 1 0 346.902 4.352 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870306 1059192367 /nfs/dbraw/zinc/19/23/67/1059192367.db2.gz POLDRZKTBYWYDH-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1C ZINC000744448843 1059522454 /nfs/dbraw/zinc/52/24/54/1059522454.db2.gz YOHCAETZPWRSTQ-SGTLLEGYSA-N 1 0 337.822 4.008 20 10 EICDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766340023 1060090414 /nfs/dbraw/zinc/09/04/14/1060090414.db2.gz OOSRXDFNCZIWBI-IRXDYDNUSA-N 1 0 336.495 4.265 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H]2SCCc3ccccc32)cc1F ZINC000749293676 1060263372 /nfs/dbraw/zinc/26/33/72/1060263372.db2.gz CASZRUBCQBOIBB-LJQANCHMSA-N 1 0 330.472 4.012 20 10 EICDRO C[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO[C@H]1C1CC1 ZINC000767196193 1061140787 /nfs/dbraw/zinc/14/07/87/1061140787.db2.gz TULWBZZAHJTPIU-FCHUYYIVSA-N 1 0 337.463 4.354 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000729681717 1032131110 /nfs/dbraw/zinc/13/11/10/1032131110.db2.gz IRFKSSXCUBJTMG-NRFANRHFSA-N 1 0 349.522 4.039 20 10 EICDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729680992 1032138627 /nfs/dbraw/zinc/13/86/27/1032138627.db2.gz LTEXRFFXWZWXDW-MRXNPFEDSA-N 1 0 333.431 4.486 20 10 EICDRO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(Br)cc1O ZINC000841762556 1032643979 /nfs/dbraw/zinc/64/39/79/1032643979.db2.gz XONNAOIOJHDCCI-ZBEGNZNMSA-N 1 0 348.240 4.077 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000274725260 1019057784 /nfs/dbraw/zinc/05/77/84/1019057784.db2.gz ANKXWTFMMXSHPU-IMFGXOCKSA-N 1 0 329.415 4.492 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)c1O ZINC000236950404 1032839967 /nfs/dbraw/zinc/83/99/67/1032839967.db2.gz DRBHJRFAEKXRLM-UHFFFAOYSA-N 1 0 343.467 4.396 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1O ZINC000274894774 1019840728 /nfs/dbraw/zinc/84/07/28/1019840728.db2.gz KCVNRDABCSVZFU-SFHVURJKSA-N 1 0 325.456 4.018 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1O ZINC000155169780 1020309617 /nfs/dbraw/zinc/30/96/17/1020309617.db2.gz LTGMBRORHUFCMT-BBRMVZONSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1O ZINC000155190850 1020330972 /nfs/dbraw/zinc/33/09/72/1020330972.db2.gz YMOVMEIQOHPWIW-LJQANCHMSA-N 1 0 339.483 4.264 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)c1nnc2n1CCCCC2 ZINC000279940459 1033008090 /nfs/dbraw/zinc/00/80/90/1033008090.db2.gz BFDWXUQYCIMNLW-DLBZAZTESA-N 1 0 342.487 4.211 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccoc1 ZINC000178071056 1021887829 /nfs/dbraw/zinc/88/78/29/1021887829.db2.gz HOOSJXKVFURPEG-HIFRSBDPSA-N 1 0 336.382 4.201 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282318599 1021894754 /nfs/dbraw/zinc/89/47/54/1021894754.db2.gz DYILYWSVVJNJLE-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001167722459 1022035817 /nfs/dbraw/zinc/03/58/17/1022035817.db2.gz UPMDWSIDRRZYMN-SFHVURJKSA-N 1 0 348.494 4.399 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1O ZINC000376325913 1022169434 /nfs/dbraw/zinc/16/94/34/1022169434.db2.gz TYHPKXDQKCGMGX-SJORKVTESA-N 1 0 327.424 4.274 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000398117248 1022246897 /nfs/dbraw/zinc/24/68/97/1022246897.db2.gz GCTAKTNIMYXVDG-LQWHRVPQSA-N 1 0 337.511 4.066 20 10 EICDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000178204582 1022410068 /nfs/dbraw/zinc/41/00/68/1022410068.db2.gz BEOXOMAPWNCGDY-ZDUSSCGKSA-N 1 0 347.553 4.164 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)c(O)c1OC ZINC000892607235 1022490145 /nfs/dbraw/zinc/49/01/45/1022490145.db2.gz JTNXCFFBAWUNMZ-HNNXBMFYSA-N 1 0 345.439 4.114 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310905354 1022576296 /nfs/dbraw/zinc/57/62/96/1022576296.db2.gz BUFPZXDHOOSJSS-SOLBZPMBSA-N 1 0 342.458 4.093 20 10 EICDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000155923917 1022713604 /nfs/dbraw/zinc/71/36/04/1022713604.db2.gz JQMQXRZQIMEZGY-OAHLLOKOSA-N 1 0 327.472 4.175 20 10 EICDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000706834309 1022887404 /nfs/dbraw/zinc/88/74/04/1022887404.db2.gz VAIBLJSEQRGFAV-UHFFFAOYSA-N 1 0 340.286 4.284 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc2c(cc1O)CCCC2 ZINC000185229055 1023022820 /nfs/dbraw/zinc/02/28/20/1023022820.db2.gz HOTCKMUHNAKNLD-INIZCTEOSA-N 1 0 347.462 4.308 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1O ZINC000156147520 1023028657 /nfs/dbraw/zinc/02/86/57/1023028657.db2.gz ASBMMBVVWWRONR-SFHVURJKSA-N 1 0 335.451 4.247 20 10 EICDRO c1ccc(COc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)cc1 ZINC000236600198 1023101053 /nfs/dbraw/zinc/10/10/53/1023101053.db2.gz HUDDMPQMRRBAOM-UHFFFAOYSA-N 1 0 345.442 4.490 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c(O)c1 ZINC000376891526 1023330873 /nfs/dbraw/zinc/33/08/73/1023330873.db2.gz BVGHHFFEPJPVGT-LSDHHAIUSA-N 1 0 337.423 4.032 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c(O)c1OC ZINC000892756014 1023375931 /nfs/dbraw/zinc/37/59/31/1023375931.db2.gz UQLDRXMMJFRWEM-UHFFFAOYSA-N 1 0 347.842 4.232 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)cc1Cl ZINC001137565614 1023379266 /nfs/dbraw/zinc/37/92/66/1023379266.db2.gz WHRULSWXILEHLZ-UHFFFAOYSA-N 1 0 340.648 4.440 20 10 EICDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000378909402 1023393967 /nfs/dbraw/zinc/39/39/67/1023393967.db2.gz RNGXLYIHKLEOEQ-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1ccc(F)cn1 ZINC000092747652 1023668831 /nfs/dbraw/zinc/66/88/31/1023668831.db2.gz JMYBFQARAGCQOY-MRXNPFEDSA-N 1 0 327.447 4.308 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1O ZINC000364374680 1023694281 /nfs/dbraw/zinc/69/42/81/1023694281.db2.gz UCMYLSMOGZYIRZ-GOSISDBHSA-N 1 0 330.497 4.159 20 10 EICDRO Fc1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698363 1023704537 /nfs/dbraw/zinc/70/45/37/1023704537.db2.gz SVEBZLKVMDMVOV-GOSISDBHSA-N 1 0 346.471 4.061 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000020123486 1023731085 /nfs/dbraw/zinc/73/10/85/1023731085.db2.gz WZWRBYDJOLONAP-RISCZKNCSA-N 1 0 335.245 4.352 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1cc(Cl)ccc1O ZINC000756738137 1024260339 /nfs/dbraw/zinc/26/03/39/1024260339.db2.gz JOAFUYONVJEONN-PSLIRLAXSA-N 1 0 344.213 4.222 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000276974811 1024847608 /nfs/dbraw/zinc/84/76/08/1024847608.db2.gz UTIDXQYFKJBTGK-LJQANCHMSA-N 1 0 330.497 4.216 20 10 EICDRO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000236584655 1025248077 /nfs/dbraw/zinc/24/80/77/1025248077.db2.gz CVUJVNYUFSWJGA-KRWDZBQOSA-N 1 0 344.252 4.161 20 10 EICDRO COc1ccccc1[C@H](NCc1cc(C)c(C)cc1O)c1ccco1 ZINC000151119350 1025266029 /nfs/dbraw/zinc/26/60/29/1025266029.db2.gz QNAYXTHIOSXPIH-NRFANRHFSA-N 1 0 337.419 4.490 20 10 EICDRO c1cncc([C@H]2CCC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC000800222352 1025320705 /nfs/dbraw/zinc/32/07/05/1025320705.db2.gz PPNPXQHDNGLABM-FPOVZHCZSA-N 1 0 335.495 4.498 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2OC)cc1 ZINC000165949383 1025455046 /nfs/dbraw/zinc/45/50/46/1025455046.db2.gz QTEKVALGSSXEEF-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1O ZINC000156834184 1025665584 /nfs/dbraw/zinc/66/55/84/1025665584.db2.gz HCJBCHLSPRMISP-MOPGFXCFSA-N 1 0 327.468 4.235 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1O ZINC000375663286 1025977842 /nfs/dbraw/zinc/97/78/42/1025977842.db2.gz JKDPKUKXLDFVSS-FHWLQOOXSA-N 1 0 339.435 4.143 20 10 EICDRO CCCN(Cc1ncc(C(F)(F)F)s1)c1ccc(C[NH3+])cc1 ZINC000279501937 1026465556 /nfs/dbraw/zinc/46/55/56/1026465556.db2.gz ZKKZJNLKNXSACD-UHFFFAOYSA-N 1 0 329.391 4.037 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc4cccc2c43)c(O)c1OC ZINC000896075366 1027206628 /nfs/dbraw/zinc/20/66/28/1027206628.db2.gz FBMPOGBHLKQRMY-GOSISDBHSA-N 1 0 349.430 4.340 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924809 1027766794 /nfs/dbraw/zinc/76/67/94/1027766794.db2.gz VVSNFGWXXSBZSV-INIZCTEOSA-N 1 0 339.483 4.342 20 10 EICDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000281155367 1028419205 /nfs/dbraw/zinc/41/92/05/1028419205.db2.gz VKCJVHQJYSDXAM-MZNJEOGPSA-N 1 0 348.556 4.019 20 10 EICDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3)cc2Cl)C1 ZINC000281943013 1028992061 /nfs/dbraw/zinc/99/20/61/1028992061.db2.gz IEMBLOADHNIHCC-HNNXBMFYSA-N 1 0 329.875 4.261 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000157717317 1029206545 /nfs/dbraw/zinc/20/65/45/1029206545.db2.gz APHMFBXNSUOXFC-UHFFFAOYSA-N 1 0 336.426 4.035 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000161913770 1029282242 /nfs/dbraw/zinc/28/22/42/1029282242.db2.gz SYKIQJXRVDQNPL-UQOODKLHSA-N 1 0 346.490 4.280 20 10 EICDRO COC1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840793517 1029350195 /nfs/dbraw/zinc/35/01/95/1029350195.db2.gz RGDMDCLSSWVLCW-FAEJEUNOSA-N 1 0 334.479 4.424 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2OC(F)F)c(Cl)c1 ZINC000840871262 1029647584 /nfs/dbraw/zinc/64/75/84/1029647584.db2.gz CUCWMZQVHRKCIA-UHFFFAOYSA-N 1 0 327.758 4.245 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000185125193 1030128831 /nfs/dbraw/zinc/12/88/31/1030128831.db2.gz FGOGZYVDZFMFLW-CYBMUJFWSA-N 1 0 327.815 4.082 20 10 EICDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185676097 1030215617 /nfs/dbraw/zinc/21/56/17/1030215617.db2.gz SLXUHVBPFLQPEW-KGLIPLIRSA-N 1 0 339.414 4.437 20 10 EICDRO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1O ZINC000185878807 1030236516 /nfs/dbraw/zinc/23/65/16/1030236516.db2.gz VMCKVCSDWBQXBU-AUUYWEPGSA-N 1 0 346.430 4.322 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000186192249 1030256115 /nfs/dbraw/zinc/25/61/15/1030256115.db2.gz LFXLMEVKAKQBJN-HUUCEWRRSA-N 1 0 337.423 4.205 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(-c2ccccc2)no1 ZINC000186192755 1030256333 /nfs/dbraw/zinc/25/63/33/1030256333.db2.gz LMZHNKUPTMKSHJ-OLZOCXBDSA-N 1 0 341.386 4.036 20 10 EICDRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1O ZINC000527929651 1030971592 /nfs/dbraw/zinc/97/15/92/1030971592.db2.gz DVGYGZZZBFLVEC-WBMJQRKESA-N 1 0 349.356 4.196 20 10 EICDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000527973630 1030981865 /nfs/dbraw/zinc/98/18/65/1030981865.db2.gz KZELRFWLPGRLQL-GJZGRUSLSA-N 1 0 329.440 4.438 20 10 EICDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000527973631 1030983445 /nfs/dbraw/zinc/98/34/45/1030983445.db2.gz KZELRFWLPGRLQL-LSDHHAIUSA-N 1 0 329.440 4.438 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(Br)cc1O ZINC000528035385 1031050150 /nfs/dbraw/zinc/05/01/50/1031050150.db2.gz GYNINCQEWPAIAO-UWVGGRQHSA-N 1 0 339.208 4.101 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C2CC2)cn1 ZINC000528042629 1031057876 /nfs/dbraw/zinc/05/78/76/1031057876.db2.gz GDCVFNYAGCOAGO-ADLMAVQZSA-N 1 0 332.831 4.251 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC001168243459 1031426255 /nfs/dbraw/zinc/42/62/55/1031426255.db2.gz DZVUYNSMNUHCGL-AOIWGVFYSA-N 1 0 325.452 4.380 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000359975289 1031902876 /nfs/dbraw/zinc/90/28/76/1031902876.db2.gz QPTBEQNGHPLEED-YCRPNKLZSA-N 1 0 334.419 4.236 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)c1O ZINC000236927245 1033457656 /nfs/dbraw/zinc/45/76/56/1033457656.db2.gz JUXACJNJJSKUPK-MRXNPFEDSA-N 1 0 329.440 4.496 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1O ZINC000894162902 1034423496 /nfs/dbraw/zinc/42/34/96/1034423496.db2.gz ARVZQTWNHOQZEW-LBPRGKRZSA-N 1 0 337.366 4.161 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(C)cc1O ZINC000280130257 1035184865 /nfs/dbraw/zinc/18/48/65/1035184865.db2.gz OXLMAXRYPYSWFQ-LJQANCHMSA-N 1 0 339.483 4.327 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccc(C)cc1O ZINC000280237014 1035209696 /nfs/dbraw/zinc/20/96/96/1035209696.db2.gz VQKMCVQVAHJXLM-POAQFYNOSA-N 1 0 327.468 4.296 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000227446763 1035806875 /nfs/dbraw/zinc/80/68/75/1035806875.db2.gz YOUFNFDBISWJGE-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC000761193774 1036005096 /nfs/dbraw/zinc/00/50/96/1036005096.db2.gz HWQQTXVSCAEGQI-UHFFFAOYSA-N 1 0 347.842 4.011 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165896187 1037024709 /nfs/dbraw/zinc/02/47/09/1037024709.db2.gz BTRGHHUHBQZMBM-SJORKVTESA-N 1 0 342.458 4.383 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)ccc1O ZINC000229574198 1037260711 /nfs/dbraw/zinc/26/07/11/1037260711.db2.gz RBSUVLHTIODBQV-ZFWWWQNUSA-N 1 0 342.277 4.155 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349413 1037426647 /nfs/dbraw/zinc/42/66/47/1037426647.db2.gz BIHZLTULDDPPIW-ACJLOTCBSA-N 1 0 335.394 4.326 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000273387060 1037447251 /nfs/dbraw/zinc/44/72/51/1037447251.db2.gz JTQRFYIBPHUZDT-HNNXBMFYSA-N 1 0 329.440 4.349 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)ccc1O ZINC000273433628 1037464047 /nfs/dbraw/zinc/46/40/47/1037464047.db2.gz LMZYWJASYLYXAO-XGINMYPSSA-N 1 0 333.378 4.241 20 10 EICDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CCO1 ZINC000273447915 1037466851 /nfs/dbraw/zinc/46/68/51/1037466851.db2.gz FOMVTVQHQJFZLU-DETPVDSQSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1nc(C)c(C[NH2+][C@H](C)c2cc(Br)ccc2O)s1 ZINC000273466089 1037472922 /nfs/dbraw/zinc/47/29/22/1037472922.db2.gz DTFKJHZAQMPCCX-MRVPVSSYSA-N 1 0 341.274 4.079 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273468868 1037473043 /nfs/dbraw/zinc/47/30/43/1037473043.db2.gz RSDBZYLSRDJDQN-GZRFBZBPSA-N 1 0 329.415 4.411 20 10 EICDRO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000273591020 1037518668 /nfs/dbraw/zinc/51/86/68/1037518668.db2.gz PDFBAFDNBVAMGB-OLZOCXBDSA-N 1 0 346.496 4.286 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000760872193 1037552899 /nfs/dbraw/zinc/55/28/99/1037552899.db2.gz ZKGYUNLGRZFHGF-XEKQOVJPSA-N 1 0 349.858 4.481 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1C ZINC000172970371 1038030667 /nfs/dbraw/zinc/03/06/67/1038030667.db2.gz OUBHQVOCRSJMID-IBGZPJMESA-N 1 0 325.452 4.048 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c1 ZINC000174395108 1038947018 /nfs/dbraw/zinc/94/70/18/1038947018.db2.gz PJOCCZANYQSKCC-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cncs2)c1O ZINC000903312206 1041012716 /nfs/dbraw/zinc/01/27/16/1041012716.db2.gz UHSOBJRMRYGPEO-NXEZZACHSA-N 1 0 341.274 4.331 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3nc(Cl)ccc32)cc1F ZINC000297551282 1042727315 /nfs/dbraw/zinc/72/73/15/1042727315.db2.gz FQGRCBSDMYBQNP-HNNXBMFYSA-N 1 0 333.838 4.107 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237178728 1042875089 /nfs/dbraw/zinc/87/50/89/1042875089.db2.gz JSTQPZKLXCQXNY-HNNXBMFYSA-N 1 0 343.492 4.148 20 10 EICDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000152694746 1042949220 /nfs/dbraw/zinc/94/92/20/1042949220.db2.gz METHTBHZUBCOSR-ROUUACIJSA-N 1 0 338.495 4.497 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000766030742 1043062665 /nfs/dbraw/zinc/06/26/65/1043062665.db2.gz WYTYWZMHVNUALE-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccccc3Cl)CCC2)c(O)c1OC ZINC000895138083 1043281597 /nfs/dbraw/zinc/28/15/97/1043281597.db2.gz UVLWFUGNFXQCLY-UHFFFAOYSA-N 1 0 347.842 4.232 20 10 EICDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727839119 1043315514 /nfs/dbraw/zinc/31/55/14/1043315514.db2.gz ZJOMPMLTIFYTTO-HKUYNNGSSA-N 1 0 334.479 4.111 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cc1F ZINC000731677854 1043815361 /nfs/dbraw/zinc/81/53/61/1043815361.db2.gz AHYQMXWPWOOOKW-UHFFFAOYSA-N 1 0 342.458 4.285 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cnn(-c2ccccc2)c1 ZINC000766073611 1043879773 /nfs/dbraw/zinc/87/97/73/1043879773.db2.gz QYMKVRSNNMDTDD-CQSZACIVSA-N 1 0 344.509 4.162 20 10 EICDRO Fc1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CCCO2 ZINC000766072929 1043880710 /nfs/dbraw/zinc/88/07/10/1043880710.db2.gz OCOVRFORHFQKJQ-AWEZNQCLSA-N 1 0 338.473 4.268 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OC(F)F ZINC000732203459 1043887535 /nfs/dbraw/zinc/88/75/35/1043887535.db2.gz VQPVSRYUNWJRJY-UHFFFAOYSA-N 1 0 327.758 4.279 20 10 EICDRO Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204232 1043887607 /nfs/dbraw/zinc/88/76/07/1043887607.db2.gz GFZNLTDYNUZTLV-UHFFFAOYSA-N 1 0 338.451 4.084 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204975 1043887779 /nfs/dbraw/zinc/88/77/79/1043887779.db2.gz WRVHAHFEHBUZPV-FQEVSTJZSA-N 1 0 329.415 4.010 20 10 EICDRO C[N@H+](Cc1cc(Cl)ccc1F)Cc1c(O)ccc2ccncc21 ZINC000766089287 1044002271 /nfs/dbraw/zinc/00/22/71/1044002271.db2.gz NGOLJBDYRRMNMB-UHFFFAOYSA-N 1 0 330.790 4.365 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000733325035 1044188493 /nfs/dbraw/zinc/18/84/93/1044188493.db2.gz SUFRARFHXPWXDA-UHFFFAOYSA-N 1 0 345.748 4.233 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCOc1cccc2ccccc21 ZINC000733324975 1044190976 /nfs/dbraw/zinc/19/09/76/1044190976.db2.gz OYBHFQZEIYIGCV-UHFFFAOYSA-N 1 0 327.811 4.367 20 10 EICDRO Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000733334649 1044199429 /nfs/dbraw/zinc/19/94/29/1044199429.db2.gz NTUCULFVUXBLGY-IBGZPJMESA-N 1 0 344.886 4.108 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000765976361 1044203757 /nfs/dbraw/zinc/20/37/57/1044203757.db2.gz NZYAVRJCEMRMMQ-CXAGYDPISA-N 1 0 338.455 4.136 20 10 EICDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)o1 ZINC000766140913 1044332311 /nfs/dbraw/zinc/33/23/11/1044332311.db2.gz LYOMSQBFOYYOPG-DNVCBOLYSA-N 1 0 346.446 4.102 20 10 EICDRO CCC[C@H](C[NH2+][C@@H](CC)c1cc(Br)ccc1O)OC ZINC000378839875 1044413980 /nfs/dbraw/zinc/41/39/80/1044413980.db2.gz XJUIMUXBBKRTGD-OCCSQVGLSA-N 1 0 330.266 4.011 20 10 EICDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000163176837 1044581705 /nfs/dbraw/zinc/58/17/05/1044581705.db2.gz YJYZZUQZLXPOBY-INIZCTEOSA-N 1 0 336.495 4.265 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1C ZINC000734509640 1044592493 /nfs/dbraw/zinc/59/24/93/1044592493.db2.gz NLVQZAKNJVXTCA-NRFANRHFSA-N 1 0 325.452 4.261 20 10 EICDRO C[C@H](CCC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734510444 1044593805 /nfs/dbraw/zinc/59/38/05/1044593805.db2.gz WGIOSILKTDPFLD-GOSISDBHSA-N 1 0 330.516 4.362 20 10 EICDRO C[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000735079029 1044738411 /nfs/dbraw/zinc/73/84/11/1044738411.db2.gz ZNNNHILZRXHCBD-PXNSSMCTSA-N 1 0 325.452 4.177 20 10 EICDRO O=c1[nH]cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c2ccccc12 ZINC000922494756 1044772745 /nfs/dbraw/zinc/77/27/45/1044772745.db2.gz BFCFNRADMMOXIA-UHFFFAOYSA-N 1 0 347.462 4.221 20 10 EICDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000765998292 1044914543 /nfs/dbraw/zinc/91/45/43/1044914543.db2.gz KVZZZWXCILLFJY-GCJKJVERSA-N 1 0 338.495 4.235 20 10 EICDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596875 1044957750 /nfs/dbraw/zinc/95/77/50/1044957750.db2.gz UOIOBTPSSROIQS-RHSMWYFYSA-N 1 0 336.410 4.458 20 10 EICDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000736596876 1044958371 /nfs/dbraw/zinc/95/83/71/1044958371.db2.gz UOIOBTPSSROIQS-WMLDXEAASA-N 1 0 336.410 4.458 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCSC4(CCC4)C3)CC2)cc1 ZINC000922840897 1044984179 /nfs/dbraw/zinc/98/41/79/1044984179.db2.gz TXTHFIBYLXLRJX-QGZVFWFLSA-N 1 0 346.540 4.072 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3cccc4cccc2c43)cc1OC ZINC000895933809 1044997655 /nfs/dbraw/zinc/99/76/55/1044997655.db2.gz FZAULEASECVVQN-GOSISDBHSA-N 1 0 349.430 4.340 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)CCO2 ZINC000186695932 1045142430 /nfs/dbraw/zinc/14/24/30/1045142430.db2.gz FZTPEVDLLLIBKW-RDTXWAMCSA-N 1 0 327.424 4.274 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)cn1 ZINC000740007014 1045174708 /nfs/dbraw/zinc/17/47/08/1045174708.db2.gz QGGFCGGXHOPHCC-UHFFFAOYSA-N 1 0 345.462 4.146 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000915225377 1045196081 /nfs/dbraw/zinc/19/60/81/1045196081.db2.gz ASXBADZMRGTTAD-UHFFFAOYSA-N 1 0 335.451 4.096 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccc(N(C)C)cc1 ZINC000790696327 1045560845 /nfs/dbraw/zinc/56/08/45/1045560845.db2.gz GUAQQDCFODDMFY-AZUAARDMSA-N 1 0 340.515 4.128 20 10 EICDRO Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000768162092 1045728802 /nfs/dbraw/zinc/72/88/02/1045728802.db2.gz LCBKYZXKGCIOJV-GOSISDBHSA-N 1 0 329.415 4.021 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000791445972 1045742431 /nfs/dbraw/zinc/74/24/31/1045742431.db2.gz CQIKMZMDBPKHEC-UHFFFAOYSA-N 1 0 346.421 4.345 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000791494529 1045750556 /nfs/dbraw/zinc/75/05/56/1045750556.db2.gz TYGHXULHTRJNKE-HXOBKFHXSA-N 1 0 348.490 4.160 20 10 EICDRO COc1cc(C)c(C[N@H+](C)Cc2c(O)cccc2Cl)cc1OC ZINC000768198516 1045750858 /nfs/dbraw/zinc/75/08/58/1045750858.db2.gz UTENCKJVRDKAQF-UHFFFAOYSA-N 1 0 335.831 4.003 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000768258220 1045767402 /nfs/dbraw/zinc/76/74/02/1045767402.db2.gz VFMXBZYDJNLDPV-UHFFFAOYSA-N 1 0 346.478 4.307 20 10 EICDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768258143 1045767720 /nfs/dbraw/zinc/76/77/20/1045767720.db2.gz QQPLYMUIUSWUSV-LRDDRELGSA-N 1 0 341.407 4.002 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cnc1Cl ZINC000768256285 1045770104 /nfs/dbraw/zinc/77/01/04/1045770104.db2.gz AQZUVPHANKAZGN-UHFFFAOYSA-N 1 0 329.875 4.274 20 10 EICDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000768272181 1045775041 /nfs/dbraw/zinc/77/50/41/1045775041.db2.gz QRDCVEWYJFQHBJ-YUMQZZPRSA-N 1 0 326.156 4.146 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000768293103 1045781331 /nfs/dbraw/zinc/78/13/31/1045781331.db2.gz LLISQQGBKSXIMO-DLPLYFIVSA-N 1 0 329.484 4.127 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2cccc(Cl)c2)C(C)C)cc1OC ZINC000768440037 1045807530 /nfs/dbraw/zinc/80/75/30/1045807530.db2.gz RFAQVLMPPUOBHM-UHFFFAOYSA-N 1 0 349.858 4.473 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1OC ZINC000768464956 1045810550 /nfs/dbraw/zinc/81/05/50/1045810550.db2.gz CXQKZMFBWCWAPX-XCLFUZPHSA-N 1 0 345.414 4.132 20 10 EICDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768470502 1045812527 /nfs/dbraw/zinc/81/25/27/1045812527.db2.gz IJNXZEABFOPSFO-UHFFFAOYSA-N 1 0 342.458 4.075 20 10 EICDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768539795 1045818588 /nfs/dbraw/zinc/81/85/88/1045818588.db2.gz BYXXGQHLSRHMKM-IBGZPJMESA-N 1 0 330.516 4.316 20 10 EICDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)c1O ZINC000768520132 1045818977 /nfs/dbraw/zinc/81/89/77/1045818977.db2.gz ZGABCXNRNAGXQA-HNNXBMFYSA-N 1 0 329.440 4.383 20 10 EICDRO CCOc1ccc(C[N@H+](Cc2cccc(OC)c2O)C(C)C)cc1 ZINC000768564397 1045821198 /nfs/dbraw/zinc/82/11/98/1045821198.db2.gz VFCBTLLIIOOEAQ-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@@H](C)c2ccccc2)c1 ZINC000768598444 1045824864 /nfs/dbraw/zinc/82/48/64/1045824864.db2.gz YWTMKCUJDIZLDG-INIZCTEOSA-N 1 0 329.440 4.001 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000768900784 1045855631 /nfs/dbraw/zinc/85/56/31/1045855631.db2.gz IMBGZADGCALHFW-OAQYLSRUSA-N 1 0 336.479 4.119 20 10 EICDRO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768925366 1045861796 /nfs/dbraw/zinc/86/17/96/1045861796.db2.gz BFQUPKYGSYVXOG-UHFFFAOYSA-N 1 0 345.314 4.251 20 10 EICDRO COc1cccc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1O ZINC000769120136 1045882206 /nfs/dbraw/zinc/88/22/06/1045882206.db2.gz GKSFIFSABQVQLM-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000769192869 1045886113 /nfs/dbraw/zinc/88/61/13/1045886113.db2.gz VHBYQDPDEXPINM-LJQANCHMSA-N 1 0 329.415 4.021 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000769229059 1045896940 /nfs/dbraw/zinc/89/69/40/1045896940.db2.gz UOQDDZZTQQGVQZ-LBPRGKRZSA-N 1 0 349.352 4.002 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000769228981 1045897315 /nfs/dbraw/zinc/89/73/15/1045897315.db2.gz GKBWZHZPJJGBGE-UHFFFAOYSA-N 1 0 330.516 4.456 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1 ZINC000769317989 1045919810 /nfs/dbraw/zinc/91/98/10/1045919810.db2.gz DYXXYIOWXBDUHK-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO Cc1ccc2ncc(C[N@H+](Cc3ccccc3O)C3CCCC3)n2c1 ZINC000769389344 1045944984 /nfs/dbraw/zinc/94/49/84/1045944984.db2.gz PRLXXUBHYBFETM-UHFFFAOYSA-N 1 0 335.451 4.293 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000769426300 1045959732 /nfs/dbraw/zinc/95/97/32/1045959732.db2.gz PEZVBXHVTKGSFF-QFIPXVFZSA-N 1 0 338.495 4.232 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000769428254 1045962275 /nfs/dbraw/zinc/96/22/75/1045962275.db2.gz OMHUWXURANYLPF-GOSISDBHSA-N 1 0 333.378 4.406 20 10 EICDRO Cc1cc(O)c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1C ZINC000769397181 1045967254 /nfs/dbraw/zinc/96/72/54/1045967254.db2.gz CFZJCUKLWDGGMK-UHFFFAOYSA-N 1 0 339.479 4.438 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000769474915 1045992290 /nfs/dbraw/zinc/99/22/90/1045992290.db2.gz SZAPBCADSGPMPO-KKSFZXQISA-N 1 0 341.451 4.061 20 10 EICDRO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC000769476116 1045992398 /nfs/dbraw/zinc/99/23/98/1045992398.db2.gz WHWBONVTIAZHLC-IERDGZPVSA-N 1 0 341.451 4.061 20 10 EICDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](c2ccco2)C1 ZINC000769524382 1046009921 /nfs/dbraw/zinc/00/99/21/1046009921.db2.gz DJYBLYJVIZSKPI-XLIONFOSSA-N 1 0 340.467 4.089 20 10 EICDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769531938 1046010521 /nfs/dbraw/zinc/01/05/21/1046010521.db2.gz FYDRLNNGWUIXRE-SFHVURJKSA-N 1 0 335.451 4.023 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000769710021 1046050495 /nfs/dbraw/zinc/05/04/95/1046050495.db2.gz MCGTYSJRVAULMR-WIYYLYMNSA-N 1 0 338.495 4.370 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000792888716 1046093646 /nfs/dbraw/zinc/09/36/46/1046093646.db2.gz CEGISDAOYVRTNC-UHFFFAOYSA-N 1 0 326.337 4.200 20 10 EICDRO CCc1cccc(F)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000792921185 1046108848 /nfs/dbraw/zinc/10/88/48/1046108848.db2.gz LEJVFBVAUJJDKP-UHFFFAOYSA-N 1 0 344.499 4.231 20 10 EICDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793001761 1046124094 /nfs/dbraw/zinc/12/40/94/1046124094.db2.gz QTCDYNIOKMKBRJ-GXTWGEPZSA-N 1 0 332.435 4.145 20 10 EICDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793037793 1046128077 /nfs/dbraw/zinc/12/80/77/1046128077.db2.gz LGIDSSLMXWEREX-WMLDXEAASA-N 1 0 344.421 4.065 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000763396106 1046131329 /nfs/dbraw/zinc/13/13/29/1046131329.db2.gz CWOVYWZHXJTBCQ-ORYQWCPZSA-N 1 0 326.484 4.306 20 10 EICDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075386 1046134278 /nfs/dbraw/zinc/13/42/78/1046134278.db2.gz BTWIJIYXRMYBGZ-CYBMUJFWSA-N 1 0 337.389 4.359 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nccs1 ZINC000793079610 1046135009 /nfs/dbraw/zinc/13/50/09/1046135009.db2.gz ZWFOMAZAKKTRAR-NSHDSACASA-N 1 0 343.418 4.121 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000763415196 1046147822 /nfs/dbraw/zinc/14/78/22/1046147822.db2.gz QBQPUYNTOPXGKO-CKJXQJPGSA-N 1 0 344.474 4.445 20 10 EICDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000770304399 1046176287 /nfs/dbraw/zinc/17/62/87/1046176287.db2.gz MOTXOHFRFVKEBS-OAQYLSRUSA-N 1 0 338.499 4.056 20 10 EICDRO COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000793230064 1046177452 /nfs/dbraw/zinc/17/74/52/1046177452.db2.gz DJIUTWNDFCBEAE-UHFFFAOYSA-N 1 0 339.435 4.025 20 10 EICDRO COCCCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000793231765 1046177612 /nfs/dbraw/zinc/17/76/12/1046177612.db2.gz GHPPFQLUBYIQHJ-FQEVSTJZSA-N 1 0 325.452 4.269 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770327486 1046181868 /nfs/dbraw/zinc/18/18/68/1046181868.db2.gz QYTJWMRCWKLUKO-VQTJNVASSA-N 1 0 342.483 4.214 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770372670 1046186631 /nfs/dbraw/zinc/18/66/31/1046186631.db2.gz FCANCUDTVJDELP-UXHICEINSA-N 1 0 337.463 4.308 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000793269783 1046193527 /nfs/dbraw/zinc/19/35/27/1046193527.db2.gz PHRHRDWIIIQMQW-MAUKXSAKSA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000793270479 1046195840 /nfs/dbraw/zinc/19/58/40/1046195840.db2.gz SGMAMVIBGCHCTG-YJBOKZPZSA-N 1 0 329.415 4.356 20 10 EICDRO COc1cccc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1O ZINC000793297856 1046197920 /nfs/dbraw/zinc/19/79/20/1046197920.db2.gz SAENAGPVQRECMG-UHFFFAOYSA-N 1 0 329.827 4.344 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1O ZINC000793309455 1046199931 /nfs/dbraw/zinc/19/99/31/1046199931.db2.gz NIEOXGKKYDMVAT-INIZCTEOSA-N 1 0 335.806 4.361 20 10 EICDRO Cc1cc([C@H](C)[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000793516601 1046259520 /nfs/dbraw/zinc/25/95/20/1046259520.db2.gz LFZBKEASCHPSRY-KRWDZBQOSA-N 1 0 336.483 4.029 20 10 EICDRO CCOc1ccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000770741447 1046267045 /nfs/dbraw/zinc/26/70/45/1046267045.db2.gz LOAJTJRMSZRLOQ-UHFFFAOYSA-N 1 0 329.415 4.043 20 10 EICDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)n(C)n1 ZINC000793530173 1046297205 /nfs/dbraw/zinc/29/72/05/1046297205.db2.gz WIEJBZKXQFTKRW-KRWDZBQOSA-N 1 0 340.515 4.348 20 10 EICDRO CCc1ccc(C[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000691490406 1046370633 /nfs/dbraw/zinc/37/06/33/1046370633.db2.gz WVEXRHZZUJEXFC-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)C[C@H](C)O1 ZINC000916837217 1046380414 /nfs/dbraw/zinc/38/04/14/1046380414.db2.gz RZYPMXUOJMRDEQ-HOTGVXAUSA-N 1 0 334.479 4.252 20 10 EICDRO CCCc1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000794274266 1046392044 /nfs/dbraw/zinc/39/20/44/1046392044.db2.gz FESOWISTTMEEAH-UHFFFAOYSA-N 1 0 327.472 4.166 20 10 EICDRO CCN(CC)c1ccc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000917019859 1046563411 /nfs/dbraw/zinc/56/34/11/1046563411.db2.gz IYKWLEYYGJKYJH-UHFFFAOYSA-N 1 0 345.418 4.212 20 10 EICDRO Cc1cccn2cc(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)nc12 ZINC000917074830 1046639434 /nfs/dbraw/zinc/63/94/34/1046639434.db2.gz HPEPKPCMLGZQMK-UHFFFAOYSA-N 1 0 336.483 4.119 20 10 EICDRO Cc1c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000917075247 1046639474 /nfs/dbraw/zinc/63/94/74/1046639474.db2.gz SRBJQFVVMGVHGY-UHFFFAOYSA-N 1 0 341.455 4.380 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2O ZINC000785569176 1046720304 /nfs/dbraw/zinc/72/03/04/1046720304.db2.gz AZCLAXKKEWEORG-ONERCXAPSA-N 1 0 331.362 4.332 20 10 EICDRO C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2O ZINC000785569174 1046721827 /nfs/dbraw/zinc/72/18/27/1046721827.db2.gz AZCLAXKKEWEORG-NZVBXONLSA-N 1 0 331.362 4.332 20 10 EICDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1F)C1CC1)CCC2 ZINC000917477386 1046899669 /nfs/dbraw/zinc/89/96/69/1046899669.db2.gz LQKBAIAKDCAZOG-UHFFFAOYSA-N 1 0 329.390 4.324 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3cc(Cl)cs3)CC2)cc1 ZINC000787130310 1046912842 /nfs/dbraw/zinc/91/28/42/1046912842.db2.gz ZYUJEAHOLUGAAP-UHFFFAOYSA-N 1 0 336.888 4.122 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139951 1047136684 /nfs/dbraw/zinc/13/66/84/1047136684.db2.gz STOOYISFODZOOW-ABAIWWIYSA-N 1 0 331.287 4.082 20 10 EICDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)c1ccnn1C ZINC000788260249 1047145626 /nfs/dbraw/zinc/14/56/26/1047145626.db2.gz XIWPAOXQRRNOSS-DNVCBOLYSA-N 1 0 337.467 4.369 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1C ZINC000806173331 1047160898 /nfs/dbraw/zinc/16/08/98/1047160898.db2.gz XHIVXAZYHKKYOL-BEFAXECRSA-N 1 0 330.447 4.102 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148161 1047172781 /nfs/dbraw/zinc/17/27/81/1047172781.db2.gz CVUGZYVMBIUOPE-YJBOKZPZSA-N 1 0 338.923 4.454 20 10 EICDRO CC[N@H+](Cc1ccc(Br)o1)Cc1ccc(N(C)C)cc1 ZINC000788443995 1047191480 /nfs/dbraw/zinc/19/14/80/1047191480.db2.gz WFZQOMBCMXQLLL-UHFFFAOYSA-N 1 0 337.261 4.130 20 10 EICDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000806180178 1047191614 /nfs/dbraw/zinc/19/16/14/1047191614.db2.gz LNFGNQDSBVIXQI-DGCLKSJQSA-N 1 0 340.250 4.126 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000788500759 1047203929 /nfs/dbraw/zinc/20/39/29/1047203929.db2.gz CUUGHFGVALNWRY-ROUUACIJSA-N 1 0 342.483 4.480 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(O)c1 ZINC000788566179 1047233806 /nfs/dbraw/zinc/23/38/06/1047233806.db2.gz YUYADZLINMCABC-ZDUSSCGKSA-N 1 0 347.842 4.284 20 10 EICDRO CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593638 1047240382 /nfs/dbraw/zinc/24/03/82/1047240382.db2.gz HEVWHMDXGMMTQI-KBPBESRZSA-N 1 0 344.421 4.182 20 10 EICDRO C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788802661 1047308312 /nfs/dbraw/zinc/30/83/12/1047308312.db2.gz DMMUUMBJLZDZHH-IYXRBSQSSA-N 1 0 342.405 4.079 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1 ZINC000788776773 1047311783 /nfs/dbraw/zinc/31/17/83/1047311783.db2.gz NCLZEBVHCKKLQQ-NPPFBWRTSA-N 1 0 341.495 4.289 20 10 EICDRO C[C@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)c1ccccc1O ZINC000806657758 1047336210 /nfs/dbraw/zinc/33/62/10/1047336210.db2.gz FJQQMDGASKFOJA-HNNXBMFYSA-N 1 0 328.456 4.453 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000788972157 1047338216 /nfs/dbraw/zinc/33/82/16/1047338216.db2.gz WDBKMQXTSXZLNV-RHSMWYFYSA-N 1 0 333.516 4.238 20 10 EICDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000918197124 1047367920 /nfs/dbraw/zinc/36/79/20/1047367920.db2.gz HUSROJSFPNTGTK-HXUWFJFHSA-N 1 0 344.886 4.154 20 10 EICDRO Cc1c2[nH+]c[nH]c2ccc1NCc1cc(Cl)c2cccnc2c1O ZINC001168523569 1047371757 /nfs/dbraw/zinc/37/17/57/1047371757.db2.gz PQLJXYYUNPYCDA-UHFFFAOYSA-N 1 0 338.798 4.391 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)oc1ccccc12 ZINC000789513250 1047435431 /nfs/dbraw/zinc/43/54/31/1047435431.db2.gz KMSZMSBIVNRUOS-PXNSSMCTSA-N 1 0 337.419 4.435 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c(O)c1 ZINC000824469116 1047877142 /nfs/dbraw/zinc/87/71/42/1047877142.db2.gz XINFSAZISBGCPP-SFHVURJKSA-N 1 0 333.378 4.236 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)cc1 ZINC000808380427 1047881688 /nfs/dbraw/zinc/88/16/88/1047881688.db2.gz IYQPZPDSQYJVFG-UHFFFAOYSA-N 1 0 342.483 4.148 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715881 1047907780 /nfs/dbraw/zinc/90/77/80/1047907780.db2.gz QBJURSJQIXJLQS-TUNNFDKTSA-N 1 0 337.463 4.185 20 10 EICDRO Oc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)c1O ZINC001171066053 1047940692 /nfs/dbraw/zinc/94/06/92/1047940692.db2.gz GGSNPLSNAIYWAK-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000808431201 1047943366 /nfs/dbraw/zinc/94/33/66/1047943366.db2.gz WPDQEEZBCLHNSB-UHFFFAOYSA-N 1 0 336.479 4.149 20 10 EICDRO CC[N@H+](Cc1ccc(OCC(F)F)cc1)Cc1ccc(N(C)C)cc1 ZINC001136941920 1047967548 /nfs/dbraw/zinc/96/75/48/1047967548.db2.gz MOXHTXPHYNMGQO-UHFFFAOYSA-N 1 0 348.437 4.419 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000808680130 1048035021 /nfs/dbraw/zinc/03/50/21/1048035021.db2.gz CQRYAAYWZZHBAN-UONOGXRCSA-N 1 0 331.843 4.256 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCNc2ccccn2)c1O ZINC000808692447 1048038941 /nfs/dbraw/zinc/03/89/41/1048038941.db2.gz URFIQHHHTPAECS-CQSZACIVSA-N 1 0 333.863 4.292 20 10 EICDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825125055 1048039050 /nfs/dbraw/zinc/03/90/50/1048039050.db2.gz FEGGBCGUAFVRSV-IINYFYTJSA-N 1 0 336.229 4.161 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000825129719 1048039909 /nfs/dbraw/zinc/03/99/09/1048039909.db2.gz BLYTYESJUJNXTO-NHYWBVRUSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000808672841 1048044917 /nfs/dbraw/zinc/04/49/17/1048044917.db2.gz SGUBORPCOWSAIY-SWLSCSKDSA-N 1 0 338.904 4.369 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000808673378 1048046141 /nfs/dbraw/zinc/04/61/41/1048046141.db2.gz OBHVEICSYSZBAN-ZBEGNZNMSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000808675736 1048048197 /nfs/dbraw/zinc/04/81/97/1048048197.db2.gz QQJXYTQOZGLVAT-CQSZACIVSA-N 1 0 345.874 4.200 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccc(C)c2C)c1O ZINC001170559242 1048048217 /nfs/dbraw/zinc/04/82/17/1048048217.db2.gz JIKOJNVCILMNBD-UHFFFAOYSA-N 1 0 331.843 4.497 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1O ZINC000808706275 1048051929 /nfs/dbraw/zinc/05/19/29/1048051929.db2.gz GKLPHZBMRYCJJM-VBQJREDUSA-N 1 0 325.880 4.336 20 10 EICDRO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(C(F)(F)F)cc1O ZINC000825250091 1048058122 /nfs/dbraw/zinc/05/81/22/1048058122.db2.gz UQJBJANHVXLZCB-ZDUSSCGKSA-N 1 0 340.345 4.056 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000808718435 1048066552 /nfs/dbraw/zinc/06/65/52/1048066552.db2.gz SOZZFANWWYJTDM-SNVBAGLBSA-N 1 0 342.773 4.201 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000808721007 1048070123 /nfs/dbraw/zinc/07/01/23/1048070123.db2.gz GFJJZBHGHOSIMJ-VFCRVFHLSA-N 1 0 325.452 4.044 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000825406750 1048090668 /nfs/dbraw/zinc/09/06/68/1048090668.db2.gz YHMDBPQGXBHKHU-HNAYVOBHSA-N 1 0 331.843 4.221 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808732308 1048094755 /nfs/dbraw/zinc/09/47/55/1048094755.db2.gz IMSBPWVEFBBJDI-LIRRHRJNSA-N 1 0 332.875 4.444 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1Cl ZINC000825513726 1048107624 /nfs/dbraw/zinc/10/76/24/1048107624.db2.gz JWTNBWPJHGNKHA-UHFFFAOYSA-N 1 0 341.842 4.328 20 10 EICDRO CC[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1O ZINC000155115679 1048184933 /nfs/dbraw/zinc/18/49/33/1048184933.db2.gz NSGOMFNORGJFRD-SFHVURJKSA-N 1 0 326.440 4.350 20 10 EICDRO Cc1cc(CN(C)Cc2nc(C(F)(F)F)cs2)ccc1N(C)C ZINC000815055564 1048306432 /nfs/dbraw/zinc/30/64/32/1048306432.db2.gz FFOMXCLSPNLABC-UHFFFAOYSA-N 1 0 343.418 4.168 20 10 EICDRO Cc1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1N(C)C ZINC000815064058 1048316303 /nfs/dbraw/zinc/31/63/03/1048316303.db2.gz MGDTVZCDDAJYPO-UHFFFAOYSA-N 1 0 346.478 4.227 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114065 1048328904 /nfs/dbraw/zinc/32/89/04/1048328904.db2.gz NMTCAHMMILDCKW-JKSUJKDBSA-N 1 0 327.299 4.077 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000815114685 1048331250 /nfs/dbraw/zinc/33/12/50/1048331250.db2.gz BDDKTLKIOQMVRB-UHFFFAOYSA-N 1 0 346.927 4.491 20 10 EICDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094395 1048341011 /nfs/dbraw/zinc/34/10/11/1048341011.db2.gz KQUGVWLILWYUOU-LJQANCHMSA-N 1 0 328.456 4.138 20 10 EICDRO CCOc1c(F)cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cc1F ZINC001144031375 1048363095 /nfs/dbraw/zinc/36/30/95/1048363095.db2.gz CPNAHUAQCKVIHC-UHFFFAOYSA-N 1 0 348.437 4.452 20 10 EICDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000815139244 1048363410 /nfs/dbraw/zinc/36/34/10/1048363410.db2.gz CHCIQCOGNDRGFG-CQSZACIVSA-N 1 0 347.890 4.417 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000815146201 1048369138 /nfs/dbraw/zinc/36/91/38/1048369138.db2.gz CTWFKQPWEWJADC-OAHLLOKOSA-N 1 0 339.414 4.179 20 10 EICDRO COc1cccc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1O ZINC000809690094 1048457103 /nfs/dbraw/zinc/45/71/03/1048457103.db2.gz GXGJHRIRVWEAKG-LJQANCHMSA-N 1 0 347.405 4.463 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1O ZINC000809699529 1048463085 /nfs/dbraw/zinc/46/30/85/1048463085.db2.gz SNRCOKXIWFNHHU-QFIPXVFZSA-N 1 0 347.458 4.436 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]CCc2nc3ccccc3s2)c1O ZINC000809728222 1048477385 /nfs/dbraw/zinc/47/73/85/1048477385.db2.gz PEJSSVLGQONSTI-UHFFFAOYSA-N 1 0 332.856 4.296 20 10 EICDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000809712777 1048491235 /nfs/dbraw/zinc/49/12/35/1048491235.db2.gz DYKARDBVUIUKTK-TZMCWYRMSA-N 1 0 344.318 4.165 20 10 EICDRO COCC(C)(C)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731686 1048481690 /nfs/dbraw/zinc/48/16/90/1048481690.db2.gz NRKRBOWQAQCOSH-UHFFFAOYSA-N 1 0 330.472 4.020 20 10 EICDRO Cc1ccccc1C[N@H+](Cc1cccnc1)Cc1cc(F)ccc1O ZINC000809735507 1048483155 /nfs/dbraw/zinc/48/31/55/1048483155.db2.gz JMSJXCOQJOPUOG-UHFFFAOYSA-N 1 0 336.410 4.437 20 10 EICDRO Cc1ccc(O)c(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000809735598 1048484635 /nfs/dbraw/zinc/48/46/35/1048484635.db2.gz LPIONRLAAGMUNF-UHFFFAOYSA-N 1 0 332.447 4.341 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000844745272 1048485039 /nfs/dbraw/zinc/48/50/39/1048485039.db2.gz AJTBEYHHBPMKTQ-GOSISDBHSA-N 1 0 339.426 4.320 20 10 EICDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716006 1048496310 /nfs/dbraw/zinc/49/63/10/1048496310.db2.gz PGELWEISHJWUKH-XMSQKQJNSA-N 1 0 336.479 4.106 20 10 EICDRO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724597 1048499606 /nfs/dbraw/zinc/49/96/06/1048499606.db2.gz RCGSMAGYWWCPDI-UWJYYQICSA-N 1 0 336.479 4.118 20 10 EICDRO CC(C)OCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815553719 1048504704 /nfs/dbraw/zinc/50/47/04/1048504704.db2.gz IDTJQQISKMGYKV-FQEVSTJZSA-N 1 0 327.468 4.471 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)c1O ZINC000809739527 1048511125 /nfs/dbraw/zinc/51/11/25/1048511125.db2.gz NGLRYTDZHBDUKY-NVXWUHKLSA-N 1 0 331.843 4.480 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCNc1ccccn1 ZINC000815582484 1048520835 /nfs/dbraw/zinc/52/08/35/1048520835.db2.gz HSTXQVHQLWAOBC-FQEVSTJZSA-N 1 0 347.462 4.163 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000809757680 1048520899 /nfs/dbraw/zinc/52/08/99/1048520899.db2.gz QVWVUQKROMBVFF-LJQANCHMSA-N 1 0 340.515 4.036 20 10 EICDRO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H](C)c1cccnc1 ZINC000809766495 1048524645 /nfs/dbraw/zinc/52/46/45/1048524645.db2.gz YZTWBVGLSOCFOH-ZDUSSCGKSA-N 1 0 349.272 4.441 20 10 EICDRO Oc1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000809789633 1048534721 /nfs/dbraw/zinc/53/47/21/1048534721.db2.gz UCPAOHSQXPMKKK-LEWJYISDSA-N 1 0 337.394 4.096 20 10 EICDRO C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccccc1O ZINC000815656156 1048560317 /nfs/dbraw/zinc/56/03/17/1048560317.db2.gz MRADXFAJMUYOGQ-AWEZNQCLSA-N 1 0 343.496 4.110 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000920183006 1048565293 /nfs/dbraw/zinc/56/52/93/1048565293.db2.gz YUJMKKQIGREYHW-IFMALSPDSA-N 1 0 338.495 4.106 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815643078 1048567429 /nfs/dbraw/zinc/56/74/29/1048567429.db2.gz SMMUZKQZNGDKJI-OLZOCXBDSA-N 1 0 343.377 4.268 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1cc[nH]c(=O)c1 ZINC000815643117 1048568672 /nfs/dbraw/zinc/56/86/72/1048568672.db2.gz UJVQUJZFUDOHES-JKSUJKDBSA-N 1 0 325.456 4.189 20 10 EICDRO Oc1ccc(Br)cc1CNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001171177770 1048648420 /nfs/dbraw/zinc/64/84/20/1048648420.db2.gz JJPIHCDVGBCYKT-INIZCTEOSA-N 1 0 347.256 4.191 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1O ZINC000810215532 1048683976 /nfs/dbraw/zinc/68/39/76/1048683976.db2.gz YYYXUYKLLIUSAO-HNNXBMFYSA-N 1 0 341.377 4.002 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219097 1048686691 /nfs/dbraw/zinc/68/66/91/1048686691.db2.gz FIKVFFYTSYUHAL-KYOSRNDESA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219100 1048688118 /nfs/dbraw/zinc/68/81/18/1048688118.db2.gz FIKVFFYTSYUHAL-ZLDLUXBVSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810223499 1048692138 /nfs/dbraw/zinc/69/21/38/1048692138.db2.gz MKXHKQZWRKWMDN-NHYWBVRUSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccncc1C)c1ccc(C(F)(F)F)cc1O ZINC000810228853 1048695743 /nfs/dbraw/zinc/69/57/43/1048695743.db2.gz MNUGACZMNDHLKA-MRXNPFEDSA-N 1 0 338.373 4.398 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810208220 1048706955 /nfs/dbraw/zinc/70/69/55/1048706955.db2.gz TYWCWXQZOSHSDM-NVXWUHKLSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810210528 1048708394 /nfs/dbraw/zinc/70/83/94/1048708394.db2.gz XCQOMTGVSQOYML-AWEZNQCLSA-N 1 0 340.345 4.056 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(N2CCCCC2=O)cc1 ZINC000810262138 1048712747 /nfs/dbraw/zinc/71/27/47/1048712747.db2.gz MEFSXUJNDIHAOA-HZPDHXFCSA-N 1 0 338.451 4.321 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236748 1048719868 /nfs/dbraw/zinc/71/98/68/1048719868.db2.gz MNACJADWUKHNNC-PRHODGIISA-N 1 0 345.390 4.373 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810236613 1048719950 /nfs/dbraw/zinc/71/99/50/1048719950.db2.gz JBKKEZQQBDYJEY-ZIAGYGMSSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C(F)(F)F)cc1O ZINC000810240420 1048724949 /nfs/dbraw/zinc/72/49/49/1048724949.db2.gz AQNCJMDCARYROV-OAHLLOKOSA-N 1 0 349.356 4.300 20 10 EICDRO CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810240955 1048725342 /nfs/dbraw/zinc/72/53/42/1048725342.db2.gz JLVWZKCOJHBYNV-LLVKDONJSA-N 1 0 327.293 4.081 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000810247418 1048726616 /nfs/dbraw/zinc/72/66/16/1048726616.db2.gz WCIOWCYNRGUXRU-QMIHWGKISA-N 1 0 345.870 4.171 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(CC)OCCc2ccccc21)c1ccccc1O ZINC000810243559 1048727065 /nfs/dbraw/zinc/72/70/65/1048727065.db2.gz QDWPQAHOCOQVJO-TZIWHRDSSA-N 1 0 325.452 4.311 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Cl)ccc1O ZINC000810247609 1048727800 /nfs/dbraw/zinc/72/78/00/1048727800.db2.gz KUMXUHDPXFZYAE-CMKODMSKSA-N 1 0 345.870 4.253 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000810253559 1048729954 /nfs/dbraw/zinc/72/99/54/1048729954.db2.gz WWTJXNQCUZWMOA-AZUAARDMSA-N 1 0 344.524 4.343 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C)cc1O ZINC000810253285 1048731776 /nfs/dbraw/zinc/73/17/76/1048731776.db2.gz QEUCVPIRDOMFIS-APWZRJJASA-N 1 0 331.481 4.291 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000810253347 1048731872 /nfs/dbraw/zinc/73/18/72/1048731872.db2.gz RZEZRSWECKJGCS-FOIQADDNSA-N 1 0 344.524 4.343 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C)cc1O ZINC000810253287 1048732153 /nfs/dbraw/zinc/73/21/53/1048732153.db2.gz QEUCVPIRDOMFIS-QFBILLFUSA-N 1 0 331.481 4.291 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000845928156 1048765587 /nfs/dbraw/zinc/76/55/87/1048765587.db2.gz KAKWBULYCKPLRF-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO C[C@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)c1ccccc1O ZINC000845989869 1048774424 /nfs/dbraw/zinc/77/44/24/1048774424.db2.gz KCKSLSRRTUOUAQ-JTQLQIEISA-N 1 0 327.758 4.498 20 10 EICDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000845957084 1048779182 /nfs/dbraw/zinc/77/91/82/1048779182.db2.gz QFZJTEGVXIZVRB-QGZVFWFLSA-N 1 0 348.494 4.406 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2O)cc1OC ZINC000816482086 1048809942 /nfs/dbraw/zinc/80/99/42/1048809942.db2.gz UGNSVAFECXCBMZ-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO Oc1c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc2ccccc21 ZINC000816491798 1048814514 /nfs/dbraw/zinc/81/45/14/1048814514.db2.gz ZAPJQGYMPWNZJH-HNNXBMFYSA-N 1 0 339.357 4.089 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1ccccc1-c1ccnn1C ZINC000816499420 1048820437 /nfs/dbraw/zinc/82/04/37/1048820437.db2.gz PYZWGJUXVSLDRK-UHFFFAOYSA-N 1 0 335.451 4.205 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1O ZINC000846149335 1048823103 /nfs/dbraw/zinc/82/31/03/1048823103.db2.gz YALOVIHLGKSBNS-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816512503 1048823448 /nfs/dbraw/zinc/82/34/48/1048823448.db2.gz LJKAWOSLKPTUHZ-UHFFFAOYSA-N 1 0 334.375 4.012 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)c1O ZINC000846155018 1048824235 /nfs/dbraw/zinc/82/42/35/1048824235.db2.gz OTEINOVVWJRLCB-CHWSQXEVSA-N 1 0 335.831 4.172 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2csc(C(C)(C)C)n2)c1O ZINC000846157020 1048824567 /nfs/dbraw/zinc/82/45/67/1048824567.db2.gz IEBVACHFIVPQKS-GFCCVEGCSA-N 1 0 334.485 4.048 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)c1O ZINC000846155024 1048824789 /nfs/dbraw/zinc/82/47/89/1048824789.db2.gz OTEINOVVWJRLCB-QWHCGFSZSA-N 1 0 335.831 4.172 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)c1O ZINC000846155021 1048824955 /nfs/dbraw/zinc/82/49/55/1048824955.db2.gz OTEINOVVWJRLCB-OLZOCXBDSA-N 1 0 335.831 4.172 20 10 EICDRO Oc1c(C[NH2+]CCc2cccc3cccnc32)ccc2ccccc21 ZINC000816533726 1048825824 /nfs/dbraw/zinc/82/58/24/1048825824.db2.gz HZXVAMWFLMIIDD-UHFFFAOYSA-N 1 0 328.415 4.426 20 10 EICDRO CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccc(F)cc1 ZINC000816535949 1048825858 /nfs/dbraw/zinc/82/58/58/1048825858.db2.gz HFMWAOGMFABBBY-HXUWFJFHSA-N 1 0 338.426 4.077 20 10 EICDRO Cc1nc(C[NH2+]Cc2ccc3ccccc3c2O)nc2ccccc12 ZINC000816545114 1048826822 /nfs/dbraw/zinc/82/68/22/1048826822.db2.gz DUXGFPCPSHJRSY-UHFFFAOYSA-N 1 0 329.403 4.087 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1O ZINC000846163311 1048827471 /nfs/dbraw/zinc/82/74/71/1048827471.db2.gz HUJZYKOXWAEPDT-IUODEOHRSA-N 1 0 339.357 4.398 20 10 EICDRO Cc1csc(CCCC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816545721 1048828019 /nfs/dbraw/zinc/82/80/19/1048828019.db2.gz FLUQSQQAMVXWJJ-UHFFFAOYSA-N 1 0 326.465 4.423 20 10 EICDRO COCc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccc1F ZINC000816547244 1048828448 /nfs/dbraw/zinc/82/84/48/1048828448.db2.gz PFZKNAKDVOJOLL-UHFFFAOYSA-N 1 0 325.383 4.121 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCOCc2ccccc2)c1O ZINC000846173359 1048829498 /nfs/dbraw/zinc/82/94/98/1048829498.db2.gz RFZDTRQVMINUBA-HZPDHXFCSA-N 1 0 329.440 4.047 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1O ZINC000846136678 1048829770 /nfs/dbraw/zinc/82/97/70/1048829770.db2.gz NAPQRVWAQUTDDC-NEPJUHHUSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(Br)c2)c1O ZINC000846141943 1048830357 /nfs/dbraw/zinc/83/03/57/1048830357.db2.gz OGQZQHSKANISFD-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cc1OC ZINC000846137779 1048830508 /nfs/dbraw/zinc/83/05/08/1048830508.db2.gz GWMCCTPNMWVSPB-AWEZNQCLSA-N 1 0 345.439 4.049 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2CSC)c1O ZINC000846144459 1048831886 /nfs/dbraw/zinc/83/18/86/1048831886.db2.gz DTASTFRXZRIZPW-LBPRGKRZSA-N 1 0 335.444 4.254 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000846146624 1048832427 /nfs/dbraw/zinc/83/24/27/1048832427.db2.gz SSQIYWLFWWIZKQ-XPIZARPCSA-N 1 0 341.451 4.219 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816565745 1048836755 /nfs/dbraw/zinc/83/67/55/1048836755.db2.gz AJSQQNBLMPXXQA-UHFFFAOYSA-N 1 0 343.430 4.329 20 10 EICDRO C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1Cl ZINC000816570536 1048836927 /nfs/dbraw/zinc/83/69/27/1048836927.db2.gz XYVDFJWIMQZLNR-FQEVSTJZSA-N 1 0 341.838 4.196 20 10 EICDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816567929 1048836936 /nfs/dbraw/zinc/83/69/36/1048836936.db2.gz PMTUGUXTWFFPFG-LJQANCHMSA-N 1 0 333.431 4.201 20 10 EICDRO Oc1c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)ccc2ccccc21 ZINC000816566090 1048837070 /nfs/dbraw/zinc/83/70/70/1048837070.db2.gz LCZNJBYYJMBMTQ-QGZVFWFLSA-N 1 0 333.431 4.446 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657408 1048848451 /nfs/dbraw/zinc/84/84/51/1048848451.db2.gz RBNMQDACWQXYIE-QFIPXVFZSA-N 1 0 349.474 4.450 20 10 EICDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1C ZINC000921197529 1048865802 /nfs/dbraw/zinc/86/58/02/1048865802.db2.gz OYUGZZCNKBQKLZ-QGZVFWFLSA-N 1 0 344.886 4.273 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(C)C)ccc2OC)c1 ZINC000846845466 1048922309 /nfs/dbraw/zinc/92/23/09/1048922309.db2.gz WPRGWLHKCQBADZ-CQSZACIVSA-N 1 0 329.440 4.384 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000817415730 1048967694 /nfs/dbraw/zinc/96/76/94/1048967694.db2.gz XQHKBXPYXABGFQ-GUTXKFCHSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCO1 ZINC000817585781 1049016327 /nfs/dbraw/zinc/01/63/27/1049016327.db2.gz IAAKJRJCTANFHC-IACUBPJLSA-N 1 0 342.277 4.071 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1O ZINC000817586790 1049018210 /nfs/dbraw/zinc/01/82/10/1049018210.db2.gz SGXIZZYSARZBBU-GZBFAFLISA-N 1 0 342.277 4.153 20 10 EICDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817587658 1049018228 /nfs/dbraw/zinc/01/82/28/1049018228.db2.gz ZXABJDGLOWVSDH-INIZCTEOSA-N 1 0 334.479 4.162 20 10 EICDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC001171288927 1049063043 /nfs/dbraw/zinc/06/30/43/1049063043.db2.gz NYUCBTGKGPXJEM-OLZOCXBDSA-N 1 0 331.843 4.262 20 10 EICDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC001171288931 1049064044 /nfs/dbraw/zinc/06/40/44/1049064044.db2.gz NYUCBTGKGPXJEM-STQMWFEESA-N 1 0 331.843 4.262 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947161 1049064150 /nfs/dbraw/zinc/06/41/50/1049064150.db2.gz LXRTUFHBZBKVPL-MJVIPROJSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817956301 1049066622 /nfs/dbraw/zinc/06/66/22/1049066622.db2.gz VZEIMKOQDFVXJQ-MRXNPFEDSA-N 1 0 341.474 4.292 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N)cc1)CCCS2 ZINC000817958536 1049066900 /nfs/dbraw/zinc/06/69/00/1049066900.db2.gz WVJKYJQRDNIHDN-SFHVURJKSA-N 1 0 328.481 4.037 20 10 EICDRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817956317 1049067024 /nfs/dbraw/zinc/06/70/24/1049067024.db2.gz WIRGKPCKHJLGQN-UYAOXDASSA-N 1 0 342.458 4.275 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817976332 1049074260 /nfs/dbraw/zinc/07/42/60/1049074260.db2.gz XVADVCAAQKEOIO-IAGOWNOFSA-N 1 0 326.440 4.318 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985398 1049079869 /nfs/dbraw/zinc/07/98/69/1049079869.db2.gz JTPANQCURQXNOG-WDEREUQCSA-N 1 0 329.271 4.024 20 10 EICDRO C[N@H+](Cc1ccccc1O)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170885321 1049082676 /nfs/dbraw/zinc/08/26/76/1049082676.db2.gz MBNRJUBYYDXZPN-KRWDZBQOSA-N 1 0 346.268 4.144 20 10 EICDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)c1 ZINC000811518902 1049105375 /nfs/dbraw/zinc/10/53/75/1049105375.db2.gz RBGZTRFDXQZQMY-FQEVSTJZSA-N 1 0 333.435 4.011 20 10 EICDRO COc1cccc(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)c1O ZINC000811506935 1049117302 /nfs/dbraw/zinc/11/73/02/1049117302.db2.gz LLAORKVAGDJFHQ-RAXLEYEMSA-N 1 0 349.377 4.195 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3csc(C)c3)C2)cc1 ZINC000818341908 1049135534 /nfs/dbraw/zinc/13/55/34/1049135534.db2.gz IVLWHCQQJYNONU-JKSUJKDBSA-N 1 0 330.497 4.242 20 10 EICDRO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818343382 1049135675 /nfs/dbraw/zinc/13/56/75/1049135675.db2.gz AOYFECSFGAVENM-IRXDYDNUSA-N 1 0 344.524 4.194 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(C)oc3C)C2)cc1 ZINC000818342663 1049135783 /nfs/dbraw/zinc/13/57/83/1049135783.db2.gz UHRUNUGJMJKLIU-WBVHZDCISA-N 1 0 328.456 4.082 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc(F)c3F)C2)cc1 ZINC000818342150 1049135808 /nfs/dbraw/zinc/13/58/08/1049135808.db2.gz MOWKLUIFKQPVQC-CABCVRRESA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3)C2)cc1 ZINC000818343460 1049137280 /nfs/dbraw/zinc/13/72/80/1049137280.db2.gz BNIMVPBTNTWLKQ-LSDHHAIUSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3sccc3C)C2)cc1 ZINC000818345479 1049138053 /nfs/dbraw/zinc/13/80/53/1049138053.db2.gz UYZOPFZWOXXEIY-JKSUJKDBSA-N 1 0 330.497 4.242 20 10 EICDRO CC(C)([NH3+])c1ccccc1NCc1cc(Cl)c2cccnc2c1O ZINC001168525450 1049343432 /nfs/dbraw/zinc/34/34/32/1049343432.db2.gz FASNXNNELMLXKP-UHFFFAOYSA-N 1 0 341.842 4.400 20 10 EICDRO Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(Br)cc2O)n1 ZINC000797015645 1049530093 /nfs/dbraw/zinc/53/00/93/1049530093.db2.gz HNTDOHKRHAOUGF-ZDUSSCGKSA-N 1 0 349.272 4.142 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@@H](O)c1c(F)cccc1F ZINC000773029952 1049541289 /nfs/dbraw/zinc/54/12/89/1049541289.db2.gz LGXRXQGIWBFHEM-ORPRQENYSA-N 1 0 348.437 4.194 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc2ccccc2c1O ZINC000812735439 1049554371 /nfs/dbraw/zinc/55/43/71/1049554371.db2.gz RQTWNXRFVGOECA-AWEZNQCLSA-N 1 0 331.419 4.283 20 10 EICDRO CCC(CC)[C@H](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000773083746 1049569381 /nfs/dbraw/zinc/56/93/81/1049569381.db2.gz NUBDJTOPCDKXDV-NRFANRHFSA-N 1 0 348.531 4.095 20 10 EICDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118842 1049591298 /nfs/dbraw/zinc/59/12/98/1049591298.db2.gz QMHNOJUQJRXRKQ-PBHICJAKSA-N 1 0 344.421 4.031 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2OC(C)C)c1 ZINC000813330664 1049752560 /nfs/dbraw/zinc/75/25/60/1049752560.db2.gz CFJJHLCHGXIMFV-AWEZNQCLSA-N 1 0 345.439 4.047 20 10 EICDRO Cn1ccc2c1[nH+]ccc2NCc1cc(Cl)c2cccnc2c1O ZINC001168525620 1049760828 /nfs/dbraw/zinc/76/08/28/1049760828.db2.gz HWHPNKKUPKOPEN-UHFFFAOYSA-N 1 0 338.798 4.093 20 10 EICDRO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001171681326 1049776852 /nfs/dbraw/zinc/77/68/52/1049776852.db2.gz DZMDHMRDEPDTNF-MRXNPFEDSA-N 1 0 325.452 4.176 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1O ZINC000179889371 1049791941 /nfs/dbraw/zinc/79/19/41/1049791941.db2.gz NEPVWQRDAABQFH-MEDUHNTESA-N 1 0 332.241 4.493 20 10 EICDRO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777857 1049797157 /nfs/dbraw/zinc/79/71/57/1049797157.db2.gz HOERJOWHBGUERO-IBGZPJMESA-N 1 0 330.516 4.375 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2O)CN1Cc1ccccc1 ZINC001171735485 1049797993 /nfs/dbraw/zinc/79/79/93/1049797993.db2.gz WZCJQECQFZMISA-JTSKRJEESA-N 1 0 346.474 4.298 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2O)CN1Cc1ccccc1 ZINC001171735486 1049798491 /nfs/dbraw/zinc/79/84/91/1049798491.db2.gz WZCJQECQFZMISA-VGOFRKELSA-N 1 0 346.474 4.298 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)cc1 ZINC000237894312 1049811254 /nfs/dbraw/zinc/81/12/54/1049811254.db2.gz DUBHFZLLKAOZPU-CQSZACIVSA-N 1 0 338.423 4.108 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2oc(CC)nc2C)cc1 ZINC000813795709 1049818832 /nfs/dbraw/zinc/81/88/32/1049818832.db2.gz RKTHXJOWTZQVHR-UHFFFAOYSA-N 1 0 329.488 4.462 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1 ZINC000180027561 1049824796 /nfs/dbraw/zinc/82/47/96/1049824796.db2.gz WBTVOAPSCLETMB-MRXNPFEDSA-N 1 0 336.483 4.270 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1O ZINC000813884593 1049831265 /nfs/dbraw/zinc/83/12/65/1049831265.db2.gz XGAOFNSCJUDCHC-YJBOKZPZSA-N 1 0 328.431 4.159 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000823444702 1049847982 /nfs/dbraw/zinc/84/79/82/1049847982.db2.gz UBUPFDBUGZNPON-UHFFFAOYSA-N 1 0 344.524 4.243 20 10 EICDRO Cc1nc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000772875132 1049870974 /nfs/dbraw/zinc/87/09/74/1049870974.db2.gz KHXRFVYOOLIMEK-KGLIPLIRSA-N 1 0 345.512 4.008 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3CCC(CSC)CC3)CC2)cc1 ZINC000823757170 1049874060 /nfs/dbraw/zinc/87/40/60/1049874060.db2.gz IKSUOGINDPAPCC-UHFFFAOYSA-N 1 0 348.556 4.175 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCCOC1 ZINC000824134620 1049899448 /nfs/dbraw/zinc/89/94/48/1049899448.db2.gz ILZNGHLBNJDIOM-FUHWJXTLSA-N 1 0 344.524 4.289 20 10 EICDRO CC[C@H](CC(C)C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001172392512 1049905695 /nfs/dbraw/zinc/90/56/95/1049905695.db2.gz DQDXZNAOSYDVJG-IPHXSNPTSA-N 1 0 342.483 4.253 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccccc2OC(C)C)ccc1OC ZINC001177429212 1050217123 /nfs/dbraw/zinc/21/71/23/1050217123.db2.gz SLKDVSYGVXVDGN-UHFFFAOYSA-N 1 0 343.467 4.309 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)c1O ZINC000774993369 1050276235 /nfs/dbraw/zinc/27/62/35/1050276235.db2.gz UYVNPRXMORZSCV-ZDUSSCGKSA-N 1 0 345.414 4.372 20 10 EICDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Br)ccc1O ZINC001203635810 1050288532 /nfs/dbraw/zinc/28/85/32/1050288532.db2.gz HHLHOMCVIIIQAX-GFCCVEGCSA-N 1 0 332.241 4.274 20 10 EICDRO CCO[C@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CCCC1 ZINC001177972260 1050335255 /nfs/dbraw/zinc/33/52/55/1050335255.db2.gz FZPWGSTUVPMMQY-QQUYBBDPSA-N 1 0 330.516 4.341 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229789 1050357268 /nfs/dbraw/zinc/35/72/68/1050357268.db2.gz ACIVDHZXZPYLPR-INIZCTEOSA-N 1 0 341.455 4.114 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc1F ZINC001178448812 1050461383 /nfs/dbraw/zinc/46/13/83/1050461383.db2.gz DEMWXEUVKCOTNN-CYBMUJFWSA-N 1 0 335.492 4.330 20 10 EICDRO C[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001178464372 1050477317 /nfs/dbraw/zinc/47/73/17/1050477317.db2.gz XHVHTDDUVAOPCQ-LBPRGKRZSA-N 1 0 331.287 4.053 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC001178537119 1050495627 /nfs/dbraw/zinc/49/56/27/1050495627.db2.gz IMWMLSQRDSFNRS-UHFFFAOYSA-N 1 0 349.453 4.450 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000773753366 1050509327 /nfs/dbraw/zinc/50/93/27/1050509327.db2.gz HSVPKESLZQCUFR-OALUTQOASA-N 1 0 344.524 4.292 20 10 EICDRO CCC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC001178634664 1050522218 /nfs/dbraw/zinc/52/22/18/1050522218.db2.gz QDMOQDQKWHGBEL-UYAOXDASSA-N 1 0 348.437 4.023 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]Cc1coc2ccccc12 ZINC001178782203 1050551207 /nfs/dbraw/zinc/55/12/07/1050551207.db2.gz DJMIFJSOVWBSHM-UHFFFAOYSA-N 1 0 332.197 4.191 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001203663730 1050561917 /nfs/dbraw/zinc/56/19/17/1050561917.db2.gz GASRAQKQMIXETN-UHFFFAOYSA-N 1 0 329.827 4.015 20 10 EICDRO CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C[NH3+])cc1 ZINC000775140601 1050605249 /nfs/dbraw/zinc/60/52/49/1050605249.db2.gz MQEUPLAUNMNXTG-UHFFFAOYSA-N 1 0 333.819 4.124 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC23CCCCC3)c(Br)c1 ZINC001237065344 1050617509 /nfs/dbraw/zinc/61/75/09/1050617509.db2.gz NBULGKAWSRGLRO-UHFFFAOYSA-N 1 0 340.261 4.072 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)cc1F ZINC001179222893 1050651458 /nfs/dbraw/zinc/65/14/58/1050651458.db2.gz VPHGPZRQSVGBDI-OAQYLSRUSA-N 1 0 344.449 4.488 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCOCCF)c(O)c(C(C)(C)C)c1 ZINC001179252859 1050659170 /nfs/dbraw/zinc/65/91/70/1050659170.db2.gz KQWUKJSEICJWBT-UHFFFAOYSA-N 1 0 325.468 4.063 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000773809340 1050660217 /nfs/dbraw/zinc/66/02/17/1050660217.db2.gz BLBZNBVRJLOCBD-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO Cc1cc(CC[NH2+]Cc2ccc(Cl)cn2)c(C)n1-c1ccccc1 ZINC001179295065 1050664476 /nfs/dbraw/zinc/66/44/76/1050664476.db2.gz JRXNCQXBBIHZJA-UHFFFAOYSA-N 1 0 339.870 4.475 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001179559377 1050724816 /nfs/dbraw/zinc/72/48/16/1050724816.db2.gz GWPVQJKXAJHXQN-DLBZAZTESA-N 1 0 344.421 4.122 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC001179653921 1050738600 /nfs/dbraw/zinc/73/86/00/1050738600.db2.gz ACLYTVKKXJJWEB-HXUWFJFHSA-N 1 0 328.500 4.258 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)cc1C ZINC001179776210 1050771118 /nfs/dbraw/zinc/77/11/18/1050771118.db2.gz MGFVWDGKPTWNQH-QGZVFWFLSA-N 1 0 347.405 4.155 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000773826155 1050772135 /nfs/dbraw/zinc/77/21/35/1050772135.db2.gz ZZXPUIJENHXTSL-OAHLLOKOSA-N 1 0 328.456 4.011 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001179913941 1050833590 /nfs/dbraw/zinc/83/35/90/1050833590.db2.gz NUBXQZVAXYMQPE-UHFFFAOYSA-N 1 0 339.439 4.134 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000775193474 1050835116 /nfs/dbraw/zinc/83/51/16/1050835116.db2.gz PRGHVSRYMRKGEI-MRXNPFEDSA-N 1 0 339.357 4.493 20 10 EICDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969931 1050836870 /nfs/dbraw/zinc/83/68/70/1050836870.db2.gz PLZCYWKSARZUHB-RTBURBONSA-N 1 0 330.516 4.424 20 10 EICDRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000182844045 1050858015 /nfs/dbraw/zinc/85/80/15/1050858015.db2.gz IVWROIFIYRSXMC-ZDUSSCGKSA-N 1 0 348.512 4.390 20 10 EICDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(O)c1 ZINC001180043148 1050864569 /nfs/dbraw/zinc/86/45/69/1050864569.db2.gz OTBPJXKVTFTOAG-GOSISDBHSA-N 1 0 325.452 4.306 20 10 EICDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001180067904 1050873426 /nfs/dbraw/zinc/87/34/26/1050873426.db2.gz HGBJDWKQRPXBGM-IBGZPJMESA-N 1 0 335.451 4.407 20 10 EICDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCCCC2 ZINC001180098853 1050886208 /nfs/dbraw/zinc/88/62/08/1050886208.db2.gz PUNVREBDPLIWKT-ROUUACIJSA-N 1 0 339.426 4.230 20 10 EICDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC001180194882 1050928315 /nfs/dbraw/zinc/92/83/15/1050928315.db2.gz NAAUCZFYXRLMOE-TZIWHRDSSA-N 1 0 325.452 4.300 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC001180318144 1050949111 /nfs/dbraw/zinc/94/91/11/1050949111.db2.gz XIYCVTLKLYVQRB-YJJPMGAVSA-N 1 0 336.479 4.167 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)c1 ZINC000183060318 1050951772 /nfs/dbraw/zinc/95/17/72/1050951772.db2.gz AVHIQJMNRVTYIY-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc(Br)cs1 ZINC000070937864 1050956343 /nfs/dbraw/zinc/95/63/43/1050956343.db2.gz HQVCDQHPJXPESU-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](CC)c1ccccc1O)O[C@@H](C)C2 ZINC000183349192 1051095422 /nfs/dbraw/zinc/09/54/22/1051095422.db2.gz LUUMCYPTQKMUHK-KBXCAEBGSA-N 1 0 341.451 4.355 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC001180942591 1051116667 /nfs/dbraw/zinc/11/66/67/1051116667.db2.gz JQQFRONYPXVXLS-OXJNMPFZSA-N 1 0 326.484 4.044 20 10 EICDRO CCOc1cc(CCC[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000183520822 1051145248 /nfs/dbraw/zinc/14/52/48/1051145248.db2.gz GUFGRWNZELAEFB-HNNXBMFYSA-N 1 0 329.440 4.083 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1 ZINC000071407831 1051157772 /nfs/dbraw/zinc/15/77/72/1051157772.db2.gz POTMUCVSMGERTL-UHFFFAOYSA-N 1 0 334.257 4.488 20 10 EICDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001181223593 1051189752 /nfs/dbraw/zinc/18/97/52/1051189752.db2.gz QFXIWIRACXUASS-KEYYUXOJSA-N 1 0 338.948 4.417 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)c1ccccc1O ZINC000775411199 1051274948 /nfs/dbraw/zinc/27/49/48/1051274948.db2.gz CUYFRZXLAOVWRI-KRWDZBQOSA-N 1 0 338.407 4.297 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000774133109 1051476995 /nfs/dbraw/zinc/47/69/95/1051476995.db2.gz WKIFMHNRVYTRSB-RYUDHWBXSA-N 1 0 331.287 4.082 20 10 EICDRO CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774165697 1051491121 /nfs/dbraw/zinc/49/11/21/1051491121.db2.gz RKXPQCYMJURQQN-LLVKDONJSA-N 1 0 331.287 4.082 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccccc1O ZINC000775483202 1051550839 /nfs/dbraw/zinc/55/08/39/1051550839.db2.gz OXNFZFCZMRCKQU-MSOLQXFVSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1O ZINC000775487596 1051565540 /nfs/dbraw/zinc/56/55/40/1051565540.db2.gz LHYZQFCZSMHQJU-QGZVFWFLSA-N 1 0 345.874 4.150 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1O ZINC000775491160 1051573587 /nfs/dbraw/zinc/57/35/87/1051573587.db2.gz AYWALZYIYVCDMH-QGZVFWFLSA-N 1 0 345.874 4.282 20 10 EICDRO C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccccc1O ZINC001175419510 1051581620 /nfs/dbraw/zinc/58/16/20/1051581620.db2.gz WHLPIGOAJUGKFH-JTQLQIEISA-N 1 0 336.222 4.198 20 10 EICDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483400 1051613142 /nfs/dbraw/zinc/61/31/42/1051613142.db2.gz KGHBTFADFOJBRU-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484870 1051614957 /nfs/dbraw/zinc/61/49/57/1051614957.db2.gz RTDITGWRQMLTFQ-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Cl)ccc1O ZINC000775497800 1051617866 /nfs/dbraw/zinc/61/78/66/1051617866.db2.gz UVNJKWRXDGWPGM-QGZVFWFLSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Cl)ccc1O ZINC000775500057 1051622033 /nfs/dbraw/zinc/62/20/33/1051622033.db2.gz NINKAEWRXWHXMP-QGZVFWFLSA-N 1 0 346.858 4.470 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3C2(C)C)c1O ZINC001182509030 1051622240 /nfs/dbraw/zinc/62/22/40/1051622240.db2.gz QFLDZOHXLWFBJO-UHFFFAOYSA-N 1 0 331.843 4.348 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1O ZINC000775499231 1051628010 /nfs/dbraw/zinc/62/80/10/1051628010.db2.gz PWMYZQMRFQKCCY-GOSISDBHSA-N 1 0 346.858 4.287 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)cc1OC ZINC001182534578 1051634243 /nfs/dbraw/zinc/63/42/43/1051634243.db2.gz WPLVVMHNXZSPAZ-GDBMZVCRSA-N 1 0 333.472 4.058 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1O ZINC000775510021 1051641667 /nfs/dbraw/zinc/64/16/67/1051641667.db2.gz UIXDBBOLOAMTMQ-GOEBONIOSA-N 1 0 325.861 4.056 20 10 EICDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C(C)C)ccc1O ZINC001182635100 1051654105 /nfs/dbraw/zinc/65/41/05/1051654105.db2.gz WLUFRBXQUKNILG-KRWDZBQOSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000775522502 1051693581 /nfs/dbraw/zinc/69/35/81/1051693581.db2.gz RIURVKIXFAWGAE-JQFCIGGWSA-N 1 0 325.880 4.418 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000775525180 1051706359 /nfs/dbraw/zinc/70/63/59/1051706359.db2.gz YFWOLDRMPHIMAH-LZWOXQAQSA-N 1 0 342.277 4.153 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)c1c(F)cccc1F)c1ccccc1O ZINC000775524528 1051710121 /nfs/dbraw/zinc/71/01/21/1051710121.db2.gz BJZMKVSPHWTXMN-BXWFABGCSA-N 1 0 335.394 4.223 20 10 EICDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000775526889 1051714785 /nfs/dbraw/zinc/71/47/85/1051714785.db2.gz MZOWAUXFMZUHLJ-SFHVURJKSA-N 1 0 328.412 4.364 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1O ZINC000775526602 1051718375 /nfs/dbraw/zinc/71/83/75/1051718375.db2.gz SHJRNSNOLQLHMF-YJBOKZPZSA-N 1 0 328.431 4.241 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001182856647 1051723196 /nfs/dbraw/zinc/72/31/96/1051723196.db2.gz WUHOFYFOMCOCGH-AABGKKOBSA-N 1 0 336.479 4.200 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774560576 1051735072 /nfs/dbraw/zinc/73/50/72/1051735072.db2.gz ZRQXEDQGHXUNJD-HXUWFJFHSA-N 1 0 344.886 4.104 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cc(Cl)ccc1O ZINC000775552300 1051823660 /nfs/dbraw/zinc/82/36/60/1051823660.db2.gz UERRTHBZGADWPI-WMLDXEAASA-N 1 0 337.847 4.327 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)ccc1N(C)C ZINC001193012432 1051853563 /nfs/dbraw/zinc/85/35/63/1051853563.db2.gz ROJLEYIKMCCNNG-LJQANCHMSA-N 1 0 348.494 4.075 20 10 EICDRO COC1(C)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000774640182 1051853794 /nfs/dbraw/zinc/85/37/94/1051853794.db2.gz QAOXDJISLMAXRC-UHFFFAOYSA-N 1 0 329.440 4.018 20 10 EICDRO [NH3+]Cc1ccc(Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1 ZINC001175970439 1051854591 /nfs/dbraw/zinc/85/45/91/1051854591.db2.gz BGKBFUYGTNTSFW-UHFFFAOYSA-N 1 0 337.810 4.168 20 10 EICDRO CCc1cccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1O ZINC001183573960 1051867734 /nfs/dbraw/zinc/86/77/34/1051867734.db2.gz YWNBGOKCEVXNCV-QGZVFWFLSA-N 1 0 346.268 4.494 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)c1O ZINC001184338518 1051996821 /nfs/dbraw/zinc/99/68/21/1051996821.db2.gz MRZICUCFZZERPD-HUUCEWRRSA-N 1 0 331.843 4.023 20 10 EICDRO CCc1ccc([C@@H](C[NH2+]Cc2c(C)c3ccccc3n2C)N(C)C)cc1 ZINC001177099275 1052230632 /nfs/dbraw/zinc/23/06/32/1052230632.db2.gz WMHJIFJPQGCAFE-HSZRJFAPSA-N 1 0 349.522 4.442 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000184835705 1052246642 /nfs/dbraw/zinc/24/66/42/1052246642.db2.gz HVNLGJUXPADZTD-WBVHZDCISA-N 1 0 330.497 4.250 20 10 EICDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc2ccccc2c1O ZINC000184992848 1052346752 /nfs/dbraw/zinc/34/67/52/1052346752.db2.gz ANPOANIWRDSJCV-GFCCVEGCSA-N 1 0 327.346 4.165 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000185010195 1052360607 /nfs/dbraw/zinc/36/06/07/1052360607.db2.gz INAOLOFFXYSLQP-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185068059 1052392106 /nfs/dbraw/zinc/39/21/06/1052392106.db2.gz QMRSBWQMGKKFAE-HNNXBMFYSA-N 1 0 328.456 4.098 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc2ccccc2c1O ZINC000185095743 1052410033 /nfs/dbraw/zinc/41/00/33/1052410033.db2.gz BLWPWRWBKXZROH-BFUOFWGJSA-N 1 0 325.383 4.069 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1ccc(F)c(Br)c1F ZINC001238087036 1052472850 /nfs/dbraw/zinc/47/28/50/1052472850.db2.gz NOVSTHLUCUZJOC-UHFFFAOYSA-N 1 0 342.183 4.065 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)N2CCCC2)o1 ZINC000185298108 1052571819 /nfs/dbraw/zinc/57/18/19/1052571819.db2.gz YFKBLKYLNBDACB-WMZOPIPTSA-N 1 0 328.456 4.090 20 10 EICDRO CCc1nc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)cs1 ZINC000185310785 1052575335 /nfs/dbraw/zinc/57/53/35/1052575335.db2.gz IUXTXKMGIITLOM-CYBMUJFWSA-N 1 0 326.465 4.458 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1cc(F)ccc1O ZINC000185612233 1052657738 /nfs/dbraw/zinc/65/77/38/1052657738.db2.gz NHUNUIROTBCECC-UONOGXRCSA-N 1 0 325.387 4.129 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850177533 1053082734 /nfs/dbraw/zinc/08/27/34/1053082734.db2.gz XCXQPJPLBOYFBD-GFCCVEGCSA-N 1 0 334.485 4.314 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850242062 1053097657 /nfs/dbraw/zinc/09/76/57/1053097657.db2.gz DHNKDIICUYLQCR-LBPRGKRZSA-N 1 0 332.419 4.083 20 10 EICDRO COc1cc(C[NH2+]C(C)(C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850298128 1053109020 /nfs/dbraw/zinc/10/90/20/1053109020.db2.gz GHMSBMCEEQUEKR-UHFFFAOYSA-N 1 0 346.471 4.328 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001194884074 1053147799 /nfs/dbraw/zinc/14/77/99/1053147799.db2.gz XFYBJOVWMXREGU-NHCUHLMSSA-N 1 0 338.495 4.431 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000764559047 1053174083 /nfs/dbraw/zinc/17/40/83/1053174083.db2.gz ONYSNNYHQCRICK-GCJKJVERSA-N 1 0 338.495 4.451 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850422891 1053194569 /nfs/dbraw/zinc/19/45/69/1053194569.db2.gz GULUUJBESHANGA-AWEZNQCLSA-N 1 0 331.410 4.470 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000775626167 1053199126 /nfs/dbraw/zinc/19/91/26/1053199126.db2.gz GODBRXFYJIUKAU-MRXNPFEDSA-N 1 0 349.478 4.496 20 10 EICDRO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000764652986 1053244986 /nfs/dbraw/zinc/24/49/86/1053244986.db2.gz FFXZITLNHCGAJW-GOSISDBHSA-N 1 0 329.532 4.202 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2noc3ccccc32)c1O ZINC000850481697 1053253471 /nfs/dbraw/zinc/25/34/71/1053253471.db2.gz AQGQUHOBCCKZPC-LBPRGKRZSA-N 1 0 330.815 4.389 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1O ZINC000850484898 1053255275 /nfs/dbraw/zinc/25/52/75/1053255275.db2.gz UDAJRRDWZQRPID-GJZGRUSLSA-N 1 0 330.859 4.223 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000850483510 1053255487 /nfs/dbraw/zinc/25/54/87/1053255487.db2.gz YNNHCXAGXFBXRY-NWDGAFQWSA-N 1 0 335.245 4.004 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484169 1053257823 /nfs/dbraw/zinc/25/78/23/1053257823.db2.gz DJEVWMLIHVIMKF-PBHICJAKSA-N 1 0 342.870 4.149 20 10 EICDRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764684072 1053272070 /nfs/dbraw/zinc/27/20/70/1053272070.db2.gz NLIWVSNNXCRRFA-INIZCTEOSA-N 1 0 334.479 4.283 20 10 EICDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850526196 1053284120 /nfs/dbraw/zinc/28/41/20/1053284120.db2.gz UADGQMQONCAYDX-WBVHZDCISA-N 1 0 332.463 4.178 20 10 EICDRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535827 1053298677 /nfs/dbraw/zinc/29/86/77/1053298677.db2.gz CBWAJLRQTUJDDD-TVQRCGJNSA-N 1 0 334.204 4.241 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000850541301 1053304363 /nfs/dbraw/zinc/30/43/63/1053304363.db2.gz UZSBXWWLTJDJEQ-JCGIZDLHSA-N 1 0 347.890 4.231 20 10 EICDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000850555157 1053308805 /nfs/dbraw/zinc/30/88/05/1053308805.db2.gz MKXDSMCGDLAVCV-NUVQDNJRSA-N 1 0 343.442 4.427 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000120102682 1053312280 /nfs/dbraw/zinc/31/22/80/1053312280.db2.gz FQKIPGMNFOAJBI-KSSFIOAISA-N 1 0 340.492 4.352 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000850567127 1053319356 /nfs/dbraw/zinc/31/93/56/1053319356.db2.gz XAQSAJRRDSZZMX-VAMGGRTRSA-N 1 0 342.527 4.096 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850566781 1053320257 /nfs/dbraw/zinc/32/02/57/1053320257.db2.gz SQOZZTDNQHZJBF-JOCHJYFZSA-N 1 0 338.495 4.279 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)CC1 ZINC000850567125 1053320826 /nfs/dbraw/zinc/32/08/26/1053320826.db2.gz XAQSAJRRDSZZMX-HSALFYBXSA-N 1 0 342.527 4.096 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCCCC4)cc2)CC1 ZINC000850568454 1053322114 /nfs/dbraw/zinc/32/21/14/1053322114.db2.gz XUAQNNIJCRXNTJ-NRFANRHFSA-N 1 0 342.527 4.240 20 10 EICDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCCC34CCCC4)cc2)CC1 ZINC000850568472 1053322462 /nfs/dbraw/zinc/32/24/62/1053322462.db2.gz YGWKZTHVYRKDQT-NRFANRHFSA-N 1 0 342.527 4.240 20 10 EICDRO C[C@H]([NH2+]CCCc1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000850570302 1053324952 /nfs/dbraw/zinc/32/49/52/1053324952.db2.gz ULBSMOIXRDWUDW-HNNXBMFYSA-N 1 0 348.874 4.053 20 10 EICDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764923542 1053377136 /nfs/dbraw/zinc/37/71/36/1053377136.db2.gz DPNIWUSACGWSBS-ZDUSSCGKSA-N 1 0 336.888 4.089 20 10 EICDRO CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C)cc1O ZINC000794794855 1053380165 /nfs/dbraw/zinc/38/01/65/1053380165.db2.gz NMKVWVKYFZZBJU-GOSISDBHSA-N 1 0 337.467 4.490 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793270 1053387935 /nfs/dbraw/zinc/38/79/35/1053387935.db2.gz NMFOPEVGIXYADL-AZUAARDMSA-N 1 0 335.451 4.264 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1O ZINC000794804983 1053391866 /nfs/dbraw/zinc/39/18/66/1053391866.db2.gz OPICOQQPUCOLFX-MOPGFXCFSA-N 1 0 342.483 4.480 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000120383423 1053423210 /nfs/dbraw/zinc/42/32/10/1053423210.db2.gz QCVXJSRCSMTVSM-JOCHJYFZSA-N 1 0 336.479 4.405 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000775661941 1053428830 /nfs/dbraw/zinc/42/88/30/1053428830.db2.gz SDWSATSJRICKHC-KRWDZBQOSA-N 1 0 335.831 4.128 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000794822819 1053438186 /nfs/dbraw/zinc/43/81/86/1053438186.db2.gz CNRRDABQXYXPKL-HKUYNNGSSA-N 1 0 327.468 4.389 20 10 EICDRO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765082286 1053438769 /nfs/dbraw/zinc/43/87/69/1053438769.db2.gz SVDWEUIWIRDPRX-HXUWFJFHSA-N 1 0 342.483 4.156 20 10 EICDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765081961 1053440526 /nfs/dbraw/zinc/44/05/26/1053440526.db2.gz WWZXHTDGSDZUHH-AWEZNQCLSA-N 1 0 344.421 4.066 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cccc(OC)c2OC)cc1 ZINC000765124780 1053451248 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CC(C)([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC001202483760 1053511763 /nfs/dbraw/zinc/51/17/63/1053511763.db2.gz QQYOBIZZQGMVDA-UHFFFAOYSA-N 1 0 331.460 4.253 20 10 EICDRO COc1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)sn1 ZINC000851771255 1053514597 /nfs/dbraw/zinc/51/45/97/1053514597.db2.gz ZUXABGLBNVUALB-UHFFFAOYSA-N 1 0 332.469 4.192 20 10 EICDRO Cc1cccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1O ZINC000775680513 1053557649 /nfs/dbraw/zinc/55/76/49/1053557649.db2.gz FLQTZUMNWJQWIH-UHFFFAOYSA-N 1 0 349.434 4.130 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCO2 ZINC000765476592 1053562591 /nfs/dbraw/zinc/56/25/91/1053562591.db2.gz YEIDMNFIMWLWRL-GOSISDBHSA-N 1 0 328.431 4.068 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1 ZINC000775710460 1053642828 /nfs/dbraw/zinc/64/28/28/1053642828.db2.gz KVLHUHDQWZXUDL-KUHUBIRLSA-N 1 0 329.465 4.079 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cc4ccccc4o3)CC2)cc1 ZINC000102432738 1053650614 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C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001199321138 1054393264 /nfs/dbraw/zinc/39/32/64/1054393264.db2.gz WAHXJEJPJLTLJA-KBPBESRZSA-N 1 0 342.886 4.032 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cc1 ZINC001199403278 1054406483 /nfs/dbraw/zinc/40/64/83/1054406483.db2.gz PLRPRCXTGQVWLL-UHFFFAOYSA-N 1 0 329.463 4.028 20 10 EICDRO Cc1cccnc1[C@H]([NH2+]Cc1c(O)cccc1Br)C(C)C ZINC000858138432 1054423048 /nfs/dbraw/zinc/42/30/48/1054423048.db2.gz ZZKBZLADQBVLQN-MRXNPFEDSA-N 1 0 349.272 4.345 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccccc2C)cc1F ZINC001199630359 1054434994 /nfs/dbraw/zinc/43/49/94/1054434994.db2.gz YTOLVQYRKNHUPG-UHFFFAOYSA-N 1 0 330.447 4.149 20 10 EICDRO Cc1cnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cn1 ZINC000776009345 1054443419 /nfs/dbraw/zinc/44/34/19/1054443419.db2.gz JDKPBBHOWBOWOD-KRWDZBQOSA-N 1 0 333.435 4.254 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000858237144 1054443598 /nfs/dbraw/zinc/44/35/98/1054443598.db2.gz GXJVZXRRXUKBIG-UHFFFAOYSA-N 1 0 327.758 4.245 20 10 EICDRO CC(C)c1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000858353746 1054470556 /nfs/dbraw/zinc/47/05/56/1054470556.db2.gz LVZBIJBQLWWDKO-SFHVURJKSA-N 1 0 338.495 4.497 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC001199812094 1054475535 /nfs/dbraw/zinc/47/55/35/1054475535.db2.gz HGEDUSOKVUFNLA-WOJBJXKFSA-N 1 0 346.421 4.041 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)cc1Cn1cccn1 ZINC000873016122 1054480011 /nfs/dbraw/zinc/48/00/11/1054480011.db2.gz GHDZCVMLHYBMAL-KRWDZBQOSA-N 1 0 335.451 4.099 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c1O ZINC000873154730 1054495738 /nfs/dbraw/zinc/49/57/38/1054495738.db2.gz IIWIYVLDKLBHBK-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO Cc1cc(CN[C@@H](C)c2cc3n(n2)CCC3)c(C)n1-c1ccccc1 ZINC000858541526 1054512313 /nfs/dbraw/zinc/51/23/13/1054512313.db2.gz BGQSULCDHSVFGE-INIZCTEOSA-N 1 0 334.467 4.088 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(Br)cc1O ZINC000858576200 1054521777 /nfs/dbraw/zinc/52/17/77/1054521777.db2.gz JEBYVVWMNPYOST-BDAKNGLRSA-N 1 0 327.247 4.023 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)ccc1O ZINC000858575997 1054522118 /nfs/dbraw/zinc/52/21/18/1054522118.db2.gz HCLNXQLJOUZRCG-BDAKNGLRSA-N 1 0 327.247 4.023 20 10 EICDRO CCCC[C@@H](CCC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001200910571 1054573792 /nfs/dbraw/zinc/57/37/92/1054573792.db2.gz GTRNIYPBDUYMMG-GOSISDBHSA-N 1 0 335.511 4.026 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000186189886 1054632821 /nfs/dbraw/zinc/63/28/21/1054632821.db2.gz DFKYYGXJGNAYHE-SPLOXXLWSA-N 1 0 339.410 4.243 20 10 EICDRO CCC[C@H](C)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000776154089 1054754596 /nfs/dbraw/zinc/75/45/96/1054754596.db2.gz OFSYODGMMHDWCP-AWEZNQCLSA-N 1 0 326.431 4.283 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000825773718 1054771106 /nfs/dbraw/zinc/77/11/06/1054771106.db2.gz NZWGNQROJZOFIB-JTQLQIEISA-N 1 0 334.204 4.070 20 10 EICDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000776168773 1054800067 /nfs/dbraw/zinc/80/00/67/1054800067.db2.gz KXEYLZROVCMAJO-AVYPCKFXSA-N 1 0 330.447 4.319 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742406 1054893276 /nfs/dbraw/zinc/89/32/76/1054893276.db2.gz NTQZMQSHRXWGSU-HQMUEHRGSA-N 1 0 340.442 4.408 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742405 1054893502 /nfs/dbraw/zinc/89/35/02/1054893502.db2.gz NTQZMQSHRXWGSU-GECPCNCSSA-N 1 0 340.442 4.408 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1F ZINC001201833465 1054928045 /nfs/dbraw/zinc/92/80/45/1054928045.db2.gz PXKRLMJTKZEBPI-NRFANRHFSA-N 1 0 344.449 4.415 20 10 EICDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000126032349 1054933049 /nfs/dbraw/zinc/93/30/49/1054933049.db2.gz KSBYVGNHPHGHGE-LBPRGKRZSA-N 1 0 325.364 4.060 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001202058156 1055002075 /nfs/dbraw/zinc/00/20/75/1055002075.db2.gz LGDFHXIWCPBEAX-IEBWSBKVSA-N 1 0 326.459 4.393 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777233769 1055027699 /nfs/dbraw/zinc/02/76/99/1055027699.db2.gz CTYKZYNMBOGJTF-OAHLLOKOSA-N 1 0 338.451 4.211 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336570 1055043326 /nfs/dbraw/zinc/04/33/26/1055043326.db2.gz KNAGVWVSEADRNA-AZUAARDMSA-N 1 0 329.415 4.192 20 10 EICDRO CC1(C)CN(Cc2c(O)cccc2Br)[C@@H]1c1ccncc1 ZINC000862375987 1055057850 /nfs/dbraw/zinc/05/78/50/1055057850.db2.gz FBAMTVGFIORWQD-MRXNPFEDSA-N 1 0 347.256 4.133 20 10 EICDRO CCCCCn1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c(C)n1 ZINC000776252281 1055058637 /nfs/dbraw/zinc/05/86/37/1055058637.db2.gz AOHZMQRGPINGMZ-UHFFFAOYSA-N 1 0 335.879 4.339 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1O ZINC000862536047 1055079709 /nfs/dbraw/zinc/07/97/09/1055079709.db2.gz FJSXSIMIFZZSAY-UHFFFAOYSA-N 1 0 337.769 4.267 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1Cn1cccn1 ZINC001202202746 1055082777 /nfs/dbraw/zinc/08/27/77/1055082777.db2.gz GLETYOYGCWCBAZ-AOIWGVFYSA-N 1 0 341.499 4.102 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1F ZINC001202202489 1055082988 /nfs/dbraw/zinc/08/29/88/1055082988.db2.gz DEAXAZFZIVAETF-UHFFFAOYSA-N 1 0 330.422 4.241 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(Cl)nn2)c(C)n1-c1cccc(C)c1 ZINC000877657039 1055101698 /nfs/dbraw/zinc/10/16/98/1055101698.db2.gz FYNCPCITAWUPOR-UHFFFAOYSA-N 1 0 340.858 4.136 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CCc2cccc(C)n2)cc1 ZINC001202259880 1055102624 /nfs/dbraw/zinc/10/26/24/1055102624.db2.gz YQHXFKFNTXPYSD-UHFFFAOYSA-N 1 0 325.500 4.349 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)c1O ZINC000877708130 1055109512 /nfs/dbraw/zinc/10/95/12/1055109512.db2.gz AYRREPYSDMEKHT-KRWDZBQOSA-N 1 0 329.440 4.213 20 10 EICDRO CC(C)n1ncc2cc(C[NH2+][C@@H](C)c3ccccc3O)c(Cl)nc21 ZINC000877757358 1055114004 /nfs/dbraw/zinc/11/40/04/1055114004.db2.gz SSYLYVLYUNPTIT-LBPRGKRZSA-N 1 0 344.846 4.222 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877758076 1055117928 /nfs/dbraw/zinc/11/79/28/1055117928.db2.gz HXDGGQOUAOSQCE-HKUYNNGSSA-N 1 0 336.479 4.240 20 10 EICDRO Cc1ccc(CCC[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000776266449 1055120216 /nfs/dbraw/zinc/12/02/16/1055120216.db2.gz VPOWHNGZOBDXJA-UHFFFAOYSA-N 1 0 336.435 4.324 20 10 EICDRO CC1(C)CN(Cc2ccc(Br)cc2O)[C@H]1c1ccncc1 ZINC000825998896 1055122011 /nfs/dbraw/zinc/12/20/11/1055122011.db2.gz XWAJPAVKKXRRCZ-INIZCTEOSA-N 1 0 347.256 4.133 20 10 EICDRO COc1cccc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)c1O ZINC000107320314 1055222798 /nfs/dbraw/zinc/22/27/98/1055222798.db2.gz LMXKLAKDYQZHOE-UHFFFAOYSA-N 1 0 343.467 4.461 20 10 EICDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186227792 1055242602 /nfs/dbraw/zinc/24/26/02/1055242602.db2.gz UUDWHDJVEWERSD-AWEZNQCLSA-N 1 0 337.467 4.179 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000127307884 1055383649 /nfs/dbraw/zinc/38/36/49/1055383649.db2.gz DGRMCPFGWYUIDX-KDOFPFPSSA-N 1 0 326.440 4.283 20 10 EICDRO C[C@@H](NCc1ccc2c(c1)CCCO2)c1nc(C2CCCCC2)no1 ZINC000921804293 1056598906 /nfs/dbraw/zinc/59/89/06/1056598906.db2.gz PCETVALRYFLVRV-CQSZACIVSA-N 1 0 341.455 4.293 20 10 EICDRO Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001168684189 1056720449 /nfs/dbraw/zinc/72/04/49/1056720449.db2.gz GTELUPLORPHQGD-KRWDZBQOSA-N 1 0 326.871 4.197 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(OCC3CCCCC3)CC1)CCC2 ZINC000742169097 1058529726 /nfs/dbraw/zinc/52/97/26/1058529726.db2.gz AKLRRUAEDQDVLG-UHFFFAOYSA-N 1 0 343.511 4.442 20 10 EICDRO CCC1(O)CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000742174516 1058535810 /nfs/dbraw/zinc/53/58/10/1058535810.db2.gz BPGUTCXKYZLJLQ-UHFFFAOYSA-N 1 0 325.408 4.029 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)cc1 ZINC000742369741 1058595516 /nfs/dbraw/zinc/59/55/16/1058595516.db2.gz POULNIAWPMKRQV-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1 ZINC000742373403 1058599282 /nfs/dbraw/zinc/59/92/82/1058599282.db2.gz BJDLQVGVXSALMN-UHFFFAOYSA-N 1 0 328.504 4.071 20 10 EICDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)c(C)s1 ZINC000742373229 1058599722 /nfs/dbraw/zinc/59/97/22/1058599722.db2.gz HYUGOVZQUZHRKW-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC2(C1)CCOCC2)CCCC3 ZINC000743405455 1058991009 /nfs/dbraw/zinc/99/10/09/1058991009.db2.gz KQJOXQYMBPTSTA-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO Cc1ccc([C@H](O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000743839570 1059143629 /nfs/dbraw/zinc/14/36/29/1059143629.db2.gz LXQCKKYCKMSGPY-JOCHJYFZSA-N 1 0 338.495 4.151 20 10 EICDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])[N@H+](C)Cc1ccccc1 ZINC000379640264 1059707249 /nfs/dbraw/zinc/70/72/49/1059707249.db2.gz BNPDNRQLUQFZLV-CVEARBPZSA-N 1 0 330.447 4.093 20 10 EICDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000766331510 1059831332 /nfs/dbraw/zinc/83/13/32/1059831332.db2.gz RXZFQGJGAKMALA-HOCLYGCPSA-N 1 0 341.451 4.180 20 10 EICDRO COCC[N@H+](CCc1ccccc1)Cc1c(O)ccc2ccccc21 ZINC000746050918 1059983961 /nfs/dbraw/zinc/98/39/61/1059983961.db2.gz BHDXBOBHTGLNKG-UHFFFAOYSA-N 1 0 335.447 4.237 20 10 EICDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766361425 1060314805 /nfs/dbraw/zinc/31/48/05/1060314805.db2.gz VZZCOUQVFBUCFB-XYJFISCASA-N 1 0 336.495 4.264 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000766489829 1060380917 /nfs/dbraw/zinc/38/09/17/1060380917.db2.gz UJKBBDYAMOEARD-FOIQADDNSA-N 1 0 326.509 4.434 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766538952 1060514999 /nfs/dbraw/zinc/51/49/99/1060514999.db2.gz RHYPYEIOAUMUPK-HBFSDRIKSA-N 1 0 341.543 4.343 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001169753929 1060939243 /nfs/dbraw/zinc/93/92/43/1060939243.db2.gz DNGJXNMOVRMBFP-OAQYLSRUSA-N 1 0 327.468 4.345 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753911 1060939382 /nfs/dbraw/zinc/93/93/82/1060939382.db2.gz DEEOVMGUYGZYSR-GOEBONIOSA-N 1 0 331.378 4.104 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753913 1060941506 /nfs/dbraw/zinc/94/15/06/1060941506.db2.gz DEEOVMGUYGZYSR-ZBFHGGJFSA-N 1 0 331.378 4.104 20 10 EICDRO CCC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1O ZINC000103479517 1061040650 /nfs/dbraw/zinc/04/06/50/1061040650.db2.gz FEHGUMRNWNSJLJ-UHFFFAOYSA-N 1 0 346.858 4.286 20 10 EICDRO Cc1ccn2cc(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)nc2c1 ZINC000729681051 1032140183 /nfs/dbraw/zinc/14/01/83/1032140183.db2.gz QJUXKOITNRBQGK-UHFFFAOYSA-N 1 0 343.430 4.305 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000729681240 1032141082 /nfs/dbraw/zinc/14/10/82/1032141082.db2.gz YLDYEPJNPNQNBQ-MRXNPFEDSA-N 1 0 336.483 4.295 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000729681239 1032142250 /nfs/dbraw/zinc/14/22/50/1032142250.db2.gz YLDYEPJNPNQNBQ-INIZCTEOSA-N 1 0 336.483 4.295 20 10 EICDRO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000274774211 1019430087 /nfs/dbraw/zinc/43/00/87/1019430087.db2.gz JCXCQVSTDCNIBQ-ZDUSSCGKSA-N 1 0 342.874 4.144 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1cc(Br)ccc1O ZINC000300419583 1020197907 /nfs/dbraw/zinc/19/79/07/1020197907.db2.gz JCFHDMDBLLZDCD-DYEKYZERSA-N 1 0 344.318 4.480 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000072727128 1021084236 /nfs/dbraw/zinc/08/42/36/1021084236.db2.gz LJQFSLXRJIWVLS-INIZCTEOSA-N 1 0 336.435 4.120 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000078973726 1021128592 /nfs/dbraw/zinc/12/85/92/1021128592.db2.gz NJONOIAYQFKHTF-ZDUSSCGKSA-N 1 0 336.888 4.089 20 10 EICDRO CC[C@@H]([NH2+][C@H](CC)c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000155267900 1021514484 /nfs/dbraw/zinc/51/44/84/1021514484.db2.gz BWAVGEKHHPTUMC-IAGOWNOFSA-N 1 0 327.424 4.355 20 10 EICDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000177922031 1021809087 /nfs/dbraw/zinc/80/90/87/1021809087.db2.gz RSFICDBKGNUHNP-OAHLLOKOSA-N 1 0 344.421 4.297 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C)cc1O ZINC000279942848 1033009618 /nfs/dbraw/zinc/00/96/18/1033009618.db2.gz BHDXNHKGPXWYET-OAHLLOKOSA-N 1 0 343.858 4.482 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000177974552 1021836198 /nfs/dbraw/zinc/83/61/98/1021836198.db2.gz OYZWXUXGMSYEQJ-OAQYLSRUSA-N 1 0 336.479 4.463 20 10 EICDRO Cn1c[nH+]cc1Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1F ZINC001211250005 1022345530 /nfs/dbraw/zinc/34/55/30/1022345530.db2.gz DAYOOVZUAFIGRF-UHFFFAOYSA-N 1 0 347.752 4.326 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N2CCCCC2)c(F)c1 ZINC000271461081 1022379054 /nfs/dbraw/zinc/37/90/54/1022379054.db2.gz GFJKVHIPIKVREU-KBXCAEBGSA-N 1 0 342.462 4.267 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000310865916 1022529167 /nfs/dbraw/zinc/52/91/67/1022529167.db2.gz XOXZPQWUPGDGHT-OWCLPIDISA-N 1 0 348.487 4.139 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000310871060 1022531117 /nfs/dbraw/zinc/53/11/17/1022531117.db2.gz LZPYDMSRPYFDHK-VYDXJSESSA-N 1 0 348.487 4.126 20 10 EICDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756379424 1022549647 /nfs/dbraw/zinc/54/96/47/1022549647.db2.gz NIUXKYHARHDTPX-NXEZZACHSA-N 1 0 342.208 4.169 20 10 EICDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756379425 1022551126 /nfs/dbraw/zinc/55/11/26/1022551126.db2.gz NIUXKYHARHDTPX-UWVGGRQHSA-N 1 0 342.208 4.169 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181964801 1022749569 /nfs/dbraw/zinc/74/95/69/1022749569.db2.gz NSYOEJDQHXICJS-INIZCTEOSA-N 1 0 339.483 4.342 20 10 EICDRO Cc1noc(C2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)n1 ZINC000363848520 1022850613 /nfs/dbraw/zinc/85/06/13/1022850613.db2.gz FUFHJDCXUQKRAM-PWQPVHBWSA-N 1 0 335.835 4.114 20 10 EICDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160792925 1022865567 /nfs/dbraw/zinc/86/55/67/1022865567.db2.gz UVCDIKMZUJDNOM-NHCUHLMSSA-N 1 0 326.484 4.307 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000160832121 1022953321 /nfs/dbraw/zinc/95/33/21/1022953321.db2.gz JEUNYHFJPIWTLH-IERDGZPVSA-N 1 0 342.458 4.464 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000185004515 1022988311 /nfs/dbraw/zinc/98/83/11/1022988311.db2.gz QGFHIBXRKZBYGV-BZNIZROVSA-N 1 0 333.428 4.428 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c1 ZINC000376892038 1023329810 /nfs/dbraw/zinc/32/98/10/1023329810.db2.gz GSCRKJHXXVXXBG-CABCVRRESA-N 1 0 337.423 4.032 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c(O)c1 ZINC000376891525 1023330481 /nfs/dbraw/zinc/33/04/81/1023330481.db2.gz BVGHHFFEPJPVGT-HUUCEWRRSA-N 1 0 337.423 4.032 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(Br)ccc1O ZINC000756534683 1023403947 /nfs/dbraw/zinc/40/39/47/1023403947.db2.gz MPQYXOVJAFDKBP-DGCLKSJQSA-N 1 0 332.241 4.145 20 10 EICDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ccccc1O ZINC000892790470 1023404222 /nfs/dbraw/zinc/40/42/22/1023404222.db2.gz CKZGHEYFKIGMPD-UHFFFAOYSA-N 1 0 334.441 4.091 20 10 EICDRO COc1ccc(C[NH2+]C2(c3cccc(C)c3)CCCC2)c(O)c1OC ZINC000893337396 1023569359 /nfs/dbraw/zinc/56/93/59/1023569359.db2.gz VABZGOVKJBQPQT-UHFFFAOYSA-N 1 0 341.451 4.277 20 10 EICDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)n1 ZINC000122532379 1023588962 /nfs/dbraw/zinc/58/89/62/1023588962.db2.gz NYYQFDNKXGVRLV-OAHLLOKOSA-N 1 0 343.471 4.069 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Br)ccc1O ZINC000020127692 1023737097 /nfs/dbraw/zinc/73/70/97/1023737097.db2.gz WXKMKJBXRNXUFK-NHYWBVRUSA-N 1 0 335.245 4.352 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1C ZINC000377765738 1023745362 /nfs/dbraw/zinc/74/53/62/1023745362.db2.gz VBWCPTQXSJYSGW-OAQYLSRUSA-N 1 0 337.463 4.193 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178229080 1023853556 /nfs/dbraw/zinc/85/35/56/1023853556.db2.gz UPJMLVGOFGMGQB-OAHLLOKOSA-N 1 0 327.428 4.292 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000156560696 1024519596 /nfs/dbraw/zinc/51/95/96/1024519596.db2.gz BZGJQNYECSRJAO-UHFFFAOYSA-N 1 0 348.494 4.045 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCOCc2ccccc2)c1 ZINC000185246936 1024998031 /nfs/dbraw/zinc/99/80/31/1024998031.db2.gz DQPIBARTXZFKEF-MRXNPFEDSA-N 1 0 329.440 4.048 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000314624991 1025321209 /nfs/dbraw/zinc/32/12/09/1025321209.db2.gz ZZZKHIGXAPORRK-GOSISDBHSA-N 1 0 345.284 4.292 20 10 EICDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)c2ccccc2)n1 ZINC000277217789 1025344821 /nfs/dbraw/zinc/34/48/21/1025344821.db2.gz XKOUBDSEIVDFCQ-KBXCAEBGSA-N 1 0 337.423 4.027 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000122160840 1025359696 /nfs/dbraw/zinc/35/96/96/1025359696.db2.gz DJARAWNXMQCBBA-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c(O)c1OC ZINC000892053318 1025520843 /nfs/dbraw/zinc/52/08/43/1025520843.db2.gz UPXZBIQPESTILG-HNNXBMFYSA-N 1 0 331.412 4.120 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c1O ZINC000934292362 1026169982 /nfs/dbraw/zinc/16/99/82/1026169982.db2.gz YNDAHFLTSXGZIQ-IBGZPJMESA-N 1 0 344.430 4.314 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1O ZINC000136902111 1026477117 /nfs/dbraw/zinc/47/71/17/1026477117.db2.gz VSHYBKXLSLRBIP-RBBKRZOGSA-N 1 0 333.431 4.265 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1O ZINC000318935278 1026532332 /nfs/dbraw/zinc/53/23/32/1026532332.db2.gz XXPWRCLLTMKCCX-LBPRGKRZSA-N 1 0 337.769 4.217 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000048817720 1026642520 /nfs/dbraw/zinc/64/25/20/1026642520.db2.gz CVLYKKJNFRYULR-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000184836284 1027049854 /nfs/dbraw/zinc/04/98/54/1027049854.db2.gz OTXKGZFUAAFGEU-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCc3cccc4cccc2c43)c(O)c1OC ZINC000896075367 1027205339 /nfs/dbraw/zinc/20/53/39/1027205339.db2.gz FBMPOGBHLKQRMY-SFHVURJKSA-N 1 0 349.430 4.340 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1O ZINC000281207415 1028440425 /nfs/dbraw/zinc/44/04/25/1028440425.db2.gz SJTJQEFCMJGASB-RISCZKNCSA-N 1 0 335.245 4.352 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290062 1028509635 /nfs/dbraw/zinc/50/96/35/1028509635.db2.gz YAIVSKRAVCCCOE-NWDGAFQWSA-N 1 0 335.245 4.270 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1O ZINC000156966734 1028882691 /nfs/dbraw/zinc/88/26/91/1028882691.db2.gz DOJVKZDSPJGGHU-YOEHRIQHSA-N 1 0 337.423 4.287 20 10 EICDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3)cc2Cl)C1 ZINC000281943017 1028992215 /nfs/dbraw/zinc/99/22/15/1028992215.db2.gz IEMBLOADHNIHCC-OAHLLOKOSA-N 1 0 329.875 4.261 20 10 EICDRO Cc1cc(Br)cc(CNc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841029153 1029053091 /nfs/dbraw/zinc/05/30/91/1029053091.db2.gz URDNCSGGROHBMW-NSHDSACASA-N 1 0 335.245 4.095 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000475196395 1029417740 /nfs/dbraw/zinc/41/77/40/1029417740.db2.gz QDDKICVWUNPHDL-UHFFFAOYSA-N 1 0 336.464 4.228 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1F ZINC000475204646 1029421970 /nfs/dbraw/zinc/42/19/70/1029421970.db2.gz SKGZDQWSABPSBB-UHFFFAOYSA-N 1 0 326.415 4.314 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000475205078 1029422104 /nfs/dbraw/zinc/42/21/04/1029422104.db2.gz UMDUBFRUYQJXPG-INIZCTEOSA-N 1 0 349.478 4.018 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(Br)cc1 ZINC000708450677 1029576488 /nfs/dbraw/zinc/57/64/88/1029576488.db2.gz YBYXVXPNWHBOJJ-SECBINFHSA-N 1 0 342.183 4.284 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccn1 ZINC000158954664 1029630162 /nfs/dbraw/zinc/63/01/62/1029630162.db2.gz AOJZHNKAIJQXBH-CQSZACIVSA-N 1 0 347.409 4.003 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000840874342 1029803231 /nfs/dbraw/zinc/80/32/31/1029803231.db2.gz YKIYAEUVIVJIFN-YXMPFFBPSA-N 1 0 331.378 4.265 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1O ZINC000183530022 1030010288 /nfs/dbraw/zinc/01/02/88/1030010288.db2.gz IGKXQFPAQINUBS-KHYOSLBOSA-N 1 0 330.497 4.187 20 10 EICDRO C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000373525266 1030221504 /nfs/dbraw/zinc/22/15/04/1030221504.db2.gz YSDKDOZWWYDXJI-PNESKVBLSA-N 1 0 343.298 4.367 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213511 1030224114 /nfs/dbraw/zinc/22/41/14/1030224114.db2.gz ADDYXVCPOLDJOZ-CHWSQXEVSA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000392975089 1030605579 /nfs/dbraw/zinc/60/55/79/1030605579.db2.gz CEFOLAUNRAYSFL-HNNXBMFYSA-N 1 0 338.451 4.355 20 10 EICDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000179345704 1030937807 /nfs/dbraw/zinc/93/78/07/1030937807.db2.gz XRMDUTNUBIUDNR-UHFFFAOYSA-N 1 0 343.854 4.449 20 10 EICDRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000310051353 1030997649 /nfs/dbraw/zinc/99/76/49/1030997649.db2.gz IZXHHFHKVOZFAN-LSDHHAIUSA-N 1 0 336.476 4.126 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1O ZINC000528042780 1031055746 /nfs/dbraw/zinc/05/57/46/1031055746.db2.gz ISGQOMOWAKRSIO-XLIONFOSSA-N 1 0 326.440 4.296 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C2CC2)cn1 ZINC000528043649 1031059798 /nfs/dbraw/zinc/05/97/98/1031059798.db2.gz OZTVDKODSXACIJ-LQGCGHSZSA-N 1 0 342.414 4.224 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C2CC2)cn1 ZINC000528044270 1031077725 /nfs/dbraw/zinc/07/77/25/1031077725.db2.gz SPCNSYUGBREBQI-IFXJQAMLSA-N 1 0 326.440 4.215 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000310901386 1031096195 /nfs/dbraw/zinc/09/61/95/1031096195.db2.gz MVAMSXCFCWQUQB-AZUAARDMSA-N 1 0 338.495 4.263 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000171133214 1031190761 /nfs/dbraw/zinc/19/07/61/1031190761.db2.gz FPXUNMXTGRXZIW-IBGZPJMESA-N 1 0 346.421 4.042 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3s2)c1 ZINC000528439328 1031523810 /nfs/dbraw/zinc/52/38/10/1031523810.db2.gz UOAUGJZCJSQCCO-GFCCVEGCSA-N 1 0 328.437 4.170 20 10 EICDRO CCSCCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000310612399 1031599768 /nfs/dbraw/zinc/59/97/68/1031599768.db2.gz DPLFPKMQGQVYJC-ZDUSSCGKSA-N 1 0 332.307 4.339 20 10 EICDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000780386168 1031629247 /nfs/dbraw/zinc/62/92/47/1031629247.db2.gz VHEFLGHLOKGCAI-CABZTGNLSA-N 1 0 349.780 4.411 20 10 EICDRO C[S@](=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000093319356 1031861350 /nfs/dbraw/zinc/86/13/50/1031861350.db2.gz FIBUAKGCFPTDFP-XMMPIXPASA-N 1 0 343.492 4.074 20 10 EICDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178695164 1033623491 /nfs/dbraw/zinc/62/34/91/1033623491.db2.gz IVUHZNCHBNXYAX-MSOLQXFVSA-N 1 0 340.515 4.169 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1F ZINC000236963185 1033720281 /nfs/dbraw/zinc/72/02/81/1033720281.db2.gz MQLTZLJXVMMGHF-UHFFFAOYSA-N 1 0 325.431 4.443 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000236965800 1033730546 /nfs/dbraw/zinc/73/05/46/1033730546.db2.gz CIXDDWJUDIKNTM-NRFANRHFSA-N 1 0 338.495 4.229 20 10 EICDRO CCc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797618 1034748493 /nfs/dbraw/zinc/74/84/93/1034748493.db2.gz BTEZPMDUZITZSZ-IAGOWNOFSA-N 1 0 331.500 4.111 20 10 EICDRO Cc1cc(O)c(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc1C ZINC000280590271 1035302009 /nfs/dbraw/zinc/30/20/09/1035302009.db2.gz NSZOXRNACNJSAF-UHFFFAOYSA-N 1 0 347.462 4.044 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1c(F)cccc1F ZINC000227438449 1035795904 /nfs/dbraw/zinc/79/59/04/1035795904.db2.gz MHHMKBNDIGCJRB-SECBINFHSA-N 1 0 342.183 4.284 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1O ZINC000761202799 1036029857 /nfs/dbraw/zinc/02/98/57/1036029857.db2.gz MLLLYZNVUIWAJW-KRWDZBQOSA-N 1 0 346.858 4.131 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1 ZINC000165409939 1036820960 /nfs/dbraw/zinc/82/09/60/1036820960.db2.gz RINRTPLUFPLGFM-GJZGRUSLSA-N 1 0 340.471 4.045 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000163574585 1036942355 /nfs/dbraw/zinc/94/23/55/1036942355.db2.gz FRNHBVPXVXBCKR-HNNXBMFYSA-N 1 0 330.472 4.230 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000163575652 1036947044 /nfs/dbraw/zinc/94/70/44/1036947044.db2.gz ILWPXDJGRJAZQD-OAHLLOKOSA-N 1 0 332.538 4.461 20 10 EICDRO COCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000272410226 1037181979 /nfs/dbraw/zinc/18/19/79/1037181979.db2.gz BXMVPNAZIDPQBY-LJQANCHMSA-N 1 0 328.456 4.137 20 10 EICDRO CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000273377067 1037441656 /nfs/dbraw/zinc/44/16/56/1037441656.db2.gz HNAHVMOTQUMUEW-KRWDZBQOSA-N 1 0 343.467 4.105 20 10 EICDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CCO1 ZINC000273445302 1037465766 /nfs/dbraw/zinc/46/57/66/1037465766.db2.gz DXZQUMINBQPHNT-RBOXIYTFSA-N 1 0 342.277 4.009 20 10 EICDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)CCO1 ZINC000273445299 1037467925 /nfs/dbraw/zinc/46/79/25/1037467925.db2.gz DXZQUMINBQPHNT-NORZTCDRSA-N 1 0 342.277 4.009 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000273457732 1037470377 /nfs/dbraw/zinc/47/03/77/1037470377.db2.gz GZZXIAXFSIMJHB-UYAOXDASSA-N 1 0 329.415 4.153 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Br)cc1O ZINC000273612122 1037521081 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C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(Br)cc1O ZINC000927033780 1039268725 /nfs/dbraw/zinc/26/87/25/1039268725.db2.gz UICWFTWXFMASEV-SCVCMEIPSA-N 1 0 330.291 4.089 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551175210 1040021058 /nfs/dbraw/zinc/02/10/58/1040021058.db2.gz IMICQACOYZXJSM-DENIHFKCSA-N 1 0 347.506 4.412 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000366682554 1042015792 /nfs/dbraw/zinc/01/57/92/1042015792.db2.gz TUCVMQWMKBPLOW-VGSWGCGISA-N 1 0 348.494 4.316 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000766030744 1043063637 /nfs/dbraw/zinc/06/36/37/1043063637.db2.gz WYTYWZMHVNUALE-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000766029993 1043068615 /nfs/dbraw/zinc/06/86/15/1043068615.db2.gz RMGVWOJMJKXJRA-QGZVFWFLSA-N 1 0 325.500 4.368 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCC[C@H]1C ZINC000727643652 1043254930 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CCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769382920 1045942742 /nfs/dbraw/zinc/94/27/42/1045942742.db2.gz CXLIVCVRQZIBHW-NRFANRHFSA-N 1 0 330.516 4.458 20 10 EICDRO c1coc([C@@H]2CCCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000769425957 1045958684 /nfs/dbraw/zinc/95/86/84/1045958684.db2.gz ADQMFRCZSQRTSK-FQEVSTJZSA-N 1 0 340.467 4.234 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000769426763 1045959405 /nfs/dbraw/zinc/95/94/05/1045959405.db2.gz WKNSZZHNKNWYCJ-LJQANCHMSA-N 1 0 329.465 4.081 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(O)c1 ZINC000769461919 1045981784 /nfs/dbraw/zinc/98/17/84/1045981784.db2.gz ZIQAQYRYQDMMAJ-HXUWFJFHSA-N 1 0 340.467 4.194 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000769471820 1045985248 /nfs/dbraw/zinc/98/52/48/1045985248.db2.gz DFFKEGIAHRUZLO-OXJNMPFZSA-N 1 0 341.451 4.061 20 10 EICDRO CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC000769476114 1045990966 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20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769867633 1046086053 /nfs/dbraw/zinc/08/60/53/1046086053.db2.gz MCFVJKGVCHGLES-NRFANRHFSA-N 1 0 336.479 4.245 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000792932819 1046113210 /nfs/dbraw/zinc/11/32/10/1046113210.db2.gz UTMXGYDVJDMNBN-UHFFFAOYSA-N 1 0 344.327 4.339 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H](OC(C)C)c2ccccc2OC)cc1C ZINC000769936249 1046116093 /nfs/dbraw/zinc/11/60/93/1046116093.db2.gz VCRDJYWQVRZWNJ-OAQYLSRUSA-N 1 0 343.467 4.268 20 10 EICDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cc(F)ccc1O ZINC000769984097 1046122215 /nfs/dbraw/zinc/12/22/15/1046122215.db2.gz CRKGWRMMBWPFIP-LBPRGKRZSA-N 1 0 330.378 4.055 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N2CCCCC2)cc1 ZINC000769990592 1046123845 /nfs/dbraw/zinc/12/38/45/1046123845.db2.gz UWFYTCNTNYNZTB-KXBFYZLASA-N 1 0 330.497 4.123 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)cc1 ZINC000763398665 1046129854 /nfs/dbraw/zinc/12/98/54/1046129854.db2.gz ORZMJJXCNJVGGG-XGHQBKJUSA-N 1 0 326.484 4.306 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000770279174 1046166910 /nfs/dbraw/zinc/16/69/10/1046166910.db2.gz GFIQKRNJDHDJJP-PMACEKPBSA-N 1 0 348.556 4.019 20 10 EICDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169909 /nfs/dbraw/zinc/16/99/09/1046169909.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 1 0 336.479 4.118 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1F ZINC000770312847 1046176737 /nfs/dbraw/zinc/17/67/37/1046176737.db2.gz QCZGCKPATHZBPW-LJQANCHMSA-N 1 0 344.478 4.051 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(N2CCCCC2)cc1 ZINC000793576697 1046299408 /nfs/dbraw/zinc/29/94/08/1046299408.db2.gz YJTVIAPNGNCMOD-QGZVFWFLSA-N 1 0 348.494 4.447 20 10 EICDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc2ccccc2c1O ZINC000793574348 1046306516 /nfs/dbraw/zinc/30/65/16/1046306516.db2.gz RWWXLQQUEJBUFG-AWEZNQCLSA-N 1 0 331.419 4.315 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)c(O)c(C(C)(C)C)c1 ZINC000793796830 1046335434 /nfs/dbraw/zinc/33/54/34/1046335434.db2.gz NICMMDXRWZHCEF-AWEZNQCLSA-N 1 0 337.529 4.273 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1c1ccccc1 ZINC000746383163 1046337328 /nfs/dbraw/zinc/33/73/28/1046337328.db2.gz QTXWBSQDYHKFSZ-QAPCUYQASA-N 1 0 339.435 4.137 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771934821 1046529823 /nfs/dbraw/zinc/52/98/23/1046529823.db2.gz AGNZVHYCHKXION-UHFFFAOYSA-N 1 0 340.467 4.023 20 10 EICDRO Cc1cscc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000785522663 1046702015 /nfs/dbraw/zinc/70/20/15/1046702015.db2.gz RDPZOJNEUYVSKG-UHFFFAOYSA-N 1 0 345.468 4.245 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785573436 1046724014 /nfs/dbraw/zinc/72/40/14/1046724014.db2.gz PXGVPNKWBYUBSE-CSODHUTKSA-N 1 0 326.484 4.351 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c(O)c1 ZINC000785578963 1046724226 /nfs/dbraw/zinc/72/42/26/1046724226.db2.gz CTGMGJQOJQCKJK-FVJLSDCUSA-N 1 0 326.484 4.351 20 10 EICDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000786581423 1046849810 /nfs/dbraw/zinc/84/98/10/1046849810.db2.gz IVBMCOCPHILBIT-VQIMIIECSA-N 1 0 335.447 4.108 20 10 EICDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCSc1nccs1 ZINC000786816007 1046874989 /nfs/dbraw/zinc/87/49/89/1046874989.db2.gz VEMMLHMEEBPXBZ-RAXLEYEMSA-N 1 0 349.481 4.227 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2cnccc2c1)C[C@H]1CCCO1 ZINC000787047609 1046898853 /nfs/dbraw/zinc/89/88/53/1046898853.db2.gz AQWDCBHIAVDXMD-OAQYLSRUSA-N 1 0 348.446 4.122 20 10 EICDRO CC(C)[N@H+](Cc1scnc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000787090604 1046909002 /nfs/dbraw/zinc/90/90/02/1046909002.db2.gz GZTOMKZFXXWDTI-UHFFFAOYSA-N 1 0 329.513 4.497 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787265994 1046977778 /nfs/dbraw/zinc/97/77/78/1046977778.db2.gz YTJXLWFKKASCPJ-UHFFFAOYSA-N 1 0 330.737 4.091 20 10 EICDRO Oc1cc2c(cc1C[N@H+](Cc1ccc3ccccc3c1)C1CC1)OCO2 ZINC000746708208 1047048824 /nfs/dbraw/zinc/04/88/24/1047048824.db2.gz RITNECAQEYJBON-UHFFFAOYSA-N 1 0 347.414 4.439 20 10 EICDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000746709677 1047064318 /nfs/dbraw/zinc/06/43/18/1047064318.db2.gz AXFHFHYJSDQZJS-ZWKOTPCHSA-N 1 0 339.435 4.279 20 10 EICDRO CC[C@@H]([NH2+]CCC(O)(CC)CC)c1cc(Br)ccc1O ZINC000788263168 1047145844 /nfs/dbraw/zinc/14/58/44/1047145844.db2.gz RJBLTTJPNRWUKI-CQSZACIVSA-N 1 0 344.293 4.137 20 10 EICDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000806175972 1047163384 /nfs/dbraw/zinc/16/33/84/1047163384.db2.gz GVYLBVGGNAYUJQ-OXQOHEQNSA-N 1 0 342.483 4.133 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148158 1047173216 /nfs/dbraw/zinc/17/32/16/1047173216.db2.gz CVUGZYVMBIUOPE-MAUKXSAKSA-N 1 0 338.923 4.454 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000788371657 1047177093 /nfs/dbraw/zinc/17/70/93/1047177093.db2.gz DXWLUGLSCMLBSE-UHFFFAOYSA-N 1 0 336.410 4.401 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806176241 1047178083 /nfs/dbraw/zinc/17/80/83/1047178083.db2.gz KESYAIBZVSJFCX-LYRGGWFBSA-N 1 0 349.833 4.446 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1O ZINC000806178097 1047186261 /nfs/dbraw/zinc/18/62/61/1047186261.db2.gz OSJYIXMMBHAQJQ-RYUDHWBXSA-N 1 0 344.318 4.257 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000788563019 1047225946 /nfs/dbraw/zinc/22/59/46/1047225946.db2.gz JEKRNSSUFZRFIK-IAGOWNOFSA-N 1 0 342.458 4.325 20 10 EICDRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788645343 1047246088 /nfs/dbraw/zinc/24/60/88/1047246088.db2.gz PIBUFSWHOIHZAS-HNNXBMFYSA-N 1 0 342.439 4.081 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000788619104 1047250749 /nfs/dbraw/zinc/25/07/49/1047250749.db2.gz DHZWXPZCVBVAGT-RTBURBONSA-N 1 0 337.511 4.320 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000788627732 1047256039 /nfs/dbraw/zinc/25/60/39/1047256039.db2.gz QHUVSLMYFCOSTC-ORYQWCPZSA-N 1 0 326.484 4.161 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1 ZINC000788751266 1047283203 /nfs/dbraw/zinc/28/32/03/1047283203.db2.gz RERUEWBIRFHZCO-AUUYWEPGSA-N 1 0 333.859 4.221 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000788749416 1047301038 /nfs/dbraw/zinc/30/10/38/1047301038.db2.gz FOGRLTVJCQNWMI-LIRRHRJNSA-N 1 0 333.859 4.221 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000788749414 1047302866 /nfs/dbraw/zinc/30/28/66/1047302866.db2.gz FOGRLTVJCQNWMI-IFXJQAMLSA-N 1 0 333.859 4.221 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000788972163 1047337195 /nfs/dbraw/zinc/33/71/95/1047337195.db2.gz WDBKMQXTSXZLNV-YOEHRIQHSA-N 1 0 333.516 4.238 20 10 EICDRO CCOc1cccc(C[NH2+]C2(CCOCc3ccccc3)CC2)c1O ZINC000760447030 1047374340 /nfs/dbraw/zinc/37/43/40/1047374340.db2.gz LIVLGBHJUIMKDP-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO CC(C)([NH2+]Cc1cc(F)ccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000789592403 1047445569 /nfs/dbraw/zinc/44/55/69/1047445569.db2.gz DJQYFBGBEJUBJR-UHFFFAOYSA-N 1 0 343.320 4.455 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000898018121 1047531817 /nfs/dbraw/zinc/53/18/17/1047531817.db2.gz ZMBPAALIOVEODU-OAHLLOKOSA-N 1 0 338.442 4.079 20 10 EICDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCCCO1 ZINC000918732336 1047625313 /nfs/dbraw/zinc/62/53/13/1047625313.db2.gz OBHNULYSGPCUCW-AWEZNQCLSA-N 1 0 329.440 4.018 20 10 EICDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3F)cc2Cl)C1 ZINC000824339109 1047856503 /nfs/dbraw/zinc/85/65/03/1047856503.db2.gz OFSWZLXABWMIGN-CQSZACIVSA-N 1 0 347.865 4.400 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c(O)c1 ZINC000824469115 1047876825 /nfs/dbraw/zinc/87/68/25/1047876825.db2.gz XINFSAZISBGCPP-GOSISDBHSA-N 1 0 333.378 4.236 20 10 EICDRO Cc1cccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1O ZINC000824521131 1047879002 /nfs/dbraw/zinc/87/90/02/1047879002.db2.gz GKLDUUIQWPLYLC-UHFFFAOYSA-N 1 0 337.341 4.378 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1O ZINC000824589251 1047889308 /nfs/dbraw/zinc/88/93/08/1047889308.db2.gz CRTODNFUJHDWII-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccccc1O ZINC000808384849 1047890636 /nfs/dbraw/zinc/89/06/36/1047890636.db2.gz GNCUGVBGYFGQPK-LLVKDONJSA-N 1 0 338.220 4.015 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000824596667 1047890991 /nfs/dbraw/zinc/89/09/91/1047890991.db2.gz JZTMURBBGDHUGW-UHFFFAOYSA-N 1 0 336.479 4.149 20 10 EICDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824653681 1047896245 /nfs/dbraw/zinc/89/62/45/1047896245.db2.gz FIKPITLKKZMTOB-INIZCTEOSA-N 1 0 332.513 4.025 20 10 EICDRO CC[C@H]([NH2+]CCc1scnc1C)c1ccc(C(F)(F)F)cc1O ZINC000824737584 1047903592 /nfs/dbraw/zinc/90/35/92/1047903592.db2.gz CQWQCMWVKDJQCQ-ZDUSSCGKSA-N 1 0 344.402 4.459 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000824714668 1047910308 /nfs/dbraw/zinc/91/03/08/1047910308.db2.gz DUOKIRRTYZIWHC-KOLCDFICSA-N 1 0 337.769 4.217 20 10 EICDRO Cn1ncc(C2CCC2)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000824776778 1047936247 /nfs/dbraw/zinc/93/62/47/1047936247.db2.gz KBEHUADPRWDLKA-UHFFFAOYSA-N 1 0 339.483 4.338 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429734 1047939832 /nfs/dbraw/zinc/93/98/32/1047939832.db2.gz OEZMFVAIDHGZOY-FQEVSTJZSA-N 1 0 346.902 4.400 20 10 EICDRO COCc1ccccc1/C=C(\C)C[NH2+]CCCSc1nccs1 ZINC000814293108 1047944641 /nfs/dbraw/zinc/94/46/41/1047944641.db2.gz FEMCOPXMHRWKRP-NTCAYCPXSA-N 1 0 348.537 4.465 20 10 EICDRO Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1O ZINC001171067652 1047967518 /nfs/dbraw/zinc/96/75/18/1047967518.db2.gz YGGKWUZPNGTWIH-CYBMUJFWSA-N 1 0 338.234 4.052 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc1Cl ZINC000825078085 1048033000 /nfs/dbraw/zinc/03/30/00/1048033000.db2.gz SKBHKVRODBMAIN-UHFFFAOYSA-N 1 0 346.858 4.238 20 10 EICDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808690299 1048038383 /nfs/dbraw/zinc/03/83/83/1048038383.db2.gz CUIKQIINMCBSLX-ZDUSSCGKSA-N 1 0 346.858 4.206 20 10 EICDRO Cc1cccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1O ZINC000825130140 1048043161 /nfs/dbraw/zinc/04/31/61/1048043161.db2.gz NVLXOCRRUUFKGQ-KRWDZBQOSA-N 1 0 340.250 4.005 20 10 EICDRO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808673335 1048045843 /nfs/dbraw/zinc/04/58/43/1048045843.db2.gz NSQCDUGUWJDORY-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000808679418 1048048276 /nfs/dbraw/zinc/04/82/76/1048048276.db2.gz ONYJHSRXMMFTAK-CJNGLKHVSA-N 1 0 335.879 4.316 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1O ZINC000808705513 1048050535 /nfs/dbraw/zinc/05/05/35/1048050535.db2.gz JBIOUODTZDVJOO-UGSOOPFHSA-N 1 0 331.843 4.319 20 10 EICDRO COc1ccc(COCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703775 1048051007 /nfs/dbraw/zinc/05/10/07/1048051007.db2.gz WBFMXPGOKOEJQP-AWEZNQCLSA-N 1 0 349.858 4.230 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1OC ZINC000825215574 1048051724 /nfs/dbraw/zinc/05/17/24/1048051724.db2.gz RBHDCNCNPUPGSR-MRXNPFEDSA-N 1 0 349.377 4.025 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1O ZINC000808707375 1048052250 /nfs/dbraw/zinc/05/22/50/1048052250.db2.gz NJILKYAJSZFFQW-BONVTDFDSA-N 1 0 341.785 4.016 20 10 EICDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000825221321 1048053339 /nfs/dbraw/zinc/05/33/39/1048053339.db2.gz IKFRQHWWBDBQND-UHFFFAOYSA-N 1 0 337.389 4.073 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1O ZINC000808705997 1048053454 /nfs/dbraw/zinc/05/34/54/1048053454.db2.gz BUEZQGZXLGGCKH-LLVKDONJSA-N 1 0 341.238 4.132 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1O ZINC000808715705 1048062028 /nfs/dbraw/zinc/06/20/28/1048062028.db2.gz NNOROVAXRCYRJX-CYBMUJFWSA-N 1 0 344.842 4.176 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000825278329 1048062209 /nfs/dbraw/zinc/06/22/09/1048062209.db2.gz KBTGQJMXWINQAJ-UHFFFAOYSA-N 1 0 349.833 4.289 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000808715401 1048064048 /nfs/dbraw/zinc/06/40/48/1048064048.db2.gz CTFRDQMDZHAWJJ-CZUORRHYSA-N 1 0 347.890 4.340 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000808695510 1048074791 /nfs/dbraw/zinc/07/47/91/1048074791.db2.gz NWKLNQZQWRLHSB-CYBMUJFWSA-N 1 0 329.831 4.161 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000825406751 1048089786 /nfs/dbraw/zinc/08/97/86/1048089786.db2.gz YHMDBPQGXBHKHU-KXBFYZLASA-N 1 0 331.843 4.221 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)C ZINC000808742336 1048100787 /nfs/dbraw/zinc/10/07/87/1048100787.db2.gz PVSWWFDWRLOLAK-OXQOHEQNSA-N 1 0 327.468 4.362 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)cc1 ZINC001171097703 1048176628 /nfs/dbraw/zinc/17/66/28/1048176628.db2.gz GLPGILUNRXVJOK-UHFFFAOYSA-N 1 0 344.449 4.486 20 10 EICDRO C[C@H](c1ncc(-c2ccccc2)o1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219584 1048226461 /nfs/dbraw/zinc/22/64/61/1048226461.db2.gz LOSOYTTWQNRAQQ-OAHLLOKOSA-N 1 0 333.435 4.314 20 10 EICDRO CC[C@H](OCC[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000844312060 1048269466 /nfs/dbraw/zinc/26/94/66/1048269466.db2.gz IKMBPROTNJRCQI-QRWLVFNGSA-N 1 0 329.440 4.219 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000815093559 1048342557 /nfs/dbraw/zinc/34/25/57/1048342557.db2.gz NXBOUPRLIZXBOV-ZHRRBRCNSA-N 1 0 334.463 4.290 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000815104604 1048347836 /nfs/dbraw/zinc/34/78/36/1048347836.db2.gz NYLJEYVTPFPCGS-LJQANCHMSA-N 1 0 332.875 4.273 20 10 EICDRO Fc1cc(F)cc(C2CC([NH2+]CCCSc3nccs3)C2)c1 ZINC000809622068 1048439121 /nfs/dbraw/zinc/43/91/21/1048439121.db2.gz CDRAPRKOOCOUCB-UHFFFAOYSA-N 1 0 340.464 4.439 20 10 EICDRO C[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639029 1048450128 /nfs/dbraw/zinc/45/01/28/1048450128.db2.gz PTPDQUJNEYQFOH-UHFFFAOYSA-N 1 0 343.474 4.276 20 10 EICDRO Oc1ccc(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1O ZINC001171148986 1048492931 /nfs/dbraw/zinc/49/29/31/1048492931.db2.gz UFKPKYJTALHSQC-ZDUSSCGKSA-N 1 0 338.234 4.052 20 10 EICDRO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000809719022 1048496724 /nfs/dbraw/zinc/49/67/24/1048496724.db2.gz VBKJALDKBFTSGF-LJQANCHMSA-N 1 0 349.434 4.478 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000809768819 1048503063 /nfs/dbraw/zinc/50/30/63/1048503063.db2.gz XNMKDXIAKOGWPN-IBGZPJMESA-N 1 0 326.488 4.210 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809754665 1048517298 /nfs/dbraw/zinc/51/72/98/1048517298.db2.gz LZFPVRPAEGXTEC-INIZCTEOSA-N 1 0 344.213 4.051 20 10 EICDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000809753006 1048517809 /nfs/dbraw/zinc/51/78/09/1048517809.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 1 0 335.451 4.086 20 10 EICDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579268 1048519170 /nfs/dbraw/zinc/51/91/70/1048519170.db2.gz JBGDYCWVCNQISE-LRQRDZAKSA-N 1 0 327.468 4.063 20 10 EICDRO CCc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)on1 ZINC000815582530 1048520319 /nfs/dbraw/zinc/52/03/19/1048520319.db2.gz IXIZXIQJRGNVNQ-HXUWFJFHSA-N 1 0 336.435 4.406 20 10 EICDRO CO[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C(C)C ZINC000815585360 1048521938 /nfs/dbraw/zinc/52/19/38/1048521938.db2.gz FOXAODOHZSPUII-CTNGQTDRSA-N 1 0 327.468 4.327 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cc(N(C)C)nc3ccccc23)c(O)c1 ZINC000815585535 1048523844 /nfs/dbraw/zinc/52/38/44/1048523844.db2.gz KFONSTPWQQXFLV-MRXNPFEDSA-N 1 0 349.478 4.474 20 10 EICDRO Cc1cc(Cl)cc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000809765881 1048527530 /nfs/dbraw/zinc/52/75/30/1048527530.db2.gz PSLRJNWPOFFVQZ-UHFFFAOYSA-N 1 0 348.874 4.043 20 10 EICDRO COCCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815596895 1048530379 /nfs/dbraw/zinc/53/03/79/1048530379.db2.gz HFBXINSJGIDLRJ-HXUWFJFHSA-N 1 0 339.479 4.472 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)c(O)c1 ZINC000815595820 1048530491 /nfs/dbraw/zinc/53/04/91/1048530491.db2.gz CIYBPYIEKXPVFI-JTQLQIEISA-N 1 0 327.321 4.416 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC000815616495 1048542962 /nfs/dbraw/zinc/54/29/62/1048542962.db2.gz PVHIFNXIOOVUDI-ZDUSSCGKSA-N 1 0 331.843 4.448 20 10 EICDRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815618991 1048545371 /nfs/dbraw/zinc/54/53/71/1048545371.db2.gz ZJUWPZOBSITKQK-JBACZVJFSA-N 1 0 339.479 4.207 20 10 EICDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815626000 1048550454 /nfs/dbraw/zinc/55/04/54/1048550454.db2.gz RVPNYOKKMFCFCT-LMNJBCLMSA-N 1 0 339.479 4.328 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000920183007 1048564163 /nfs/dbraw/zinc/56/41/63/1048564163.db2.gz YUJMKKQIGREYHW-IRLDBZIGSA-N 1 0 338.495 4.106 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCOC2=O)cc1 ZINC000815636119 1048565158 /nfs/dbraw/zinc/56/51/58/1048565158.db2.gz PGINBZSHUYWCFO-CABCVRRESA-N 1 0 340.423 4.151 20 10 EICDRO COC1(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC1 ZINC000815641598 1048568498 /nfs/dbraw/zinc/56/84/98/1048568498.db2.gz CMCFTOSFZDHJTG-INIZCTEOSA-N 1 0 334.479 4.426 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000815642543 1048568691 /nfs/dbraw/zinc/56/86/91/1048568691.db2.gz FTAGISGNRUNSSA-GJZGRUSLSA-N 1 0 343.446 4.328 20 10 EICDRO CC[C@H]([NH2+]CCC1(OC)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000815642232 1048568849 /nfs/dbraw/zinc/56/88/49/1048568849.db2.gz WJNVMSXEEUVGFM-AWEZNQCLSA-N 1 0 331.378 4.411 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1 ZINC000815645207 1048569669 /nfs/dbraw/zinc/56/96/69/1048569669.db2.gz XZHUFPIIZCUVIV-CYBMUJFWSA-N 1 0 338.373 4.316 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1O ZINC000810212602 1048682886 /nfs/dbraw/zinc/68/28/86/1048682886.db2.gz CSIKTGOOKFYPOP-CQSZACIVSA-N 1 0 328.334 4.257 20 10 EICDRO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220935 1048687714 /nfs/dbraw/zinc/68/77/14/1048687714.db2.gz HIRNMLIBQYNOEF-WFASDCNBSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219099 1048688044 /nfs/dbraw/zinc/68/80/44/1048688044.db2.gz FIKVFFYTSYUHAL-WHOFXGATSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810220231 1048690900 /nfs/dbraw/zinc/69/09/00/1048690900.db2.gz SIFJANMDQFBLAG-GFCCVEGCSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1O ZINC000810227895 1048696521 /nfs/dbraw/zinc/69/65/21/1048696521.db2.gz MHJNMXUDSLDHMO-KBPBESRZSA-N 1 0 339.361 4.252 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000810229710 1048698176 /nfs/dbraw/zinc/69/81/76/1048698176.db2.gz ICOFSNJQYOWUPX-PJODQICGSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209954 1048706564 /nfs/dbraw/zinc/70/65/64/1048706564.db2.gz XPDNPWGNEHAHCL-FMKPAKJESA-N 1 0 342.405 4.079 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810237999 1048719354 /nfs/dbraw/zinc/71/93/54/1048719354.db2.gz WQWLBLHJFMSTOV-JLJPHGGASA-N 1 0 343.389 4.409 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000810238063 1048719836 /nfs/dbraw/zinc/71/98/36/1048719836.db2.gz XMWRVMTWDHQPRQ-JKSUJKDBSA-N 1 0 349.519 4.097 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237376 1048720090 /nfs/dbraw/zinc/72/00/90/1048720090.db2.gz GUWCMJIVGUCZPD-DZGCQCFKSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810236797 1048720251 /nfs/dbraw/zinc/72/02/51/1048720251.db2.gz NKDSPLMMYBVATQ-UONOGXRCSA-N 1 0 343.345 4.168 20 10 EICDRO CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C(F)(F)F)cc1O ZINC000810239762 1048721072 /nfs/dbraw/zinc/72/10/72/1048721072.db2.gz ZHFYVXYIYDUCSP-ZFWWWQNUSA-N 1 0 333.394 4.247 20 10 EICDRO CC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)OCCc2ccccc21 ZINC000810242966 1048724259 /nfs/dbraw/zinc/72/42/59/1048724259.db2.gz JKZIZPNEZSPLKL-HRAATJIYSA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000810243983 1048724990 /nfs/dbraw/zinc/72/49/90/1048724990.db2.gz WLSOGEDDDOBRPV-IIBYNOLFSA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000810243984 1048726703 /nfs/dbraw/zinc/72/67/03/1048726703.db2.gz WLSOGEDDDOBRPV-KKSFZXQISA-N 1 0 325.452 4.229 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(CC)OCCc2ccccc21)c1ccccc1O ZINC000810243558 1048727723 /nfs/dbraw/zinc/72/77/23/1048727723.db2.gz QDWPQAHOCOQVJO-PZJWPPBQSA-N 1 0 325.452 4.311 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000845971602 1048769969 /nfs/dbraw/zinc/76/99/69/1048769969.db2.gz MAAKRBRCBACOSB-HPUBIQBYSA-N 1 0 333.472 4.322 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000846016685 1048785264 /nfs/dbraw/zinc/78/52/64/1048785264.db2.gz ZPMZQZDFTRRTBO-ARJAWSKDSA-N 1 0 342.380 4.132 20 10 EICDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846056736 1048795121 /nfs/dbraw/zinc/79/51/21/1048795121.db2.gz YQIPDCLKJBYQDZ-UHFFFAOYSA-N 1 0 347.871 4.230 20 10 EICDRO CCOc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c(O)c1 ZINC000846053955 1048807259 /nfs/dbraw/zinc/80/72/59/1048807259.db2.gz ZJUXDCYASLXPBI-KRWDZBQOSA-N 1 0 345.414 4.322 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112465 1048815045 /nfs/dbraw/zinc/81/50/45/1048815045.db2.gz CSWPCHHXLLZVFG-CALCHBBNSA-N 1 0 334.435 4.081 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000846102561 1048821521 /nfs/dbraw/zinc/82/15/21/1048821521.db2.gz NVHIXXFIDJCMSD-UHFFFAOYSA-N 1 0 344.524 4.027 20 10 EICDRO Oc1c(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC000816529682 1048823762 /nfs/dbraw/zinc/82/37/62/1048823762.db2.gz CIZIOJCBVMDTGH-UHFFFAOYSA-N 1 0 346.474 4.300 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000846153563 1048824284 /nfs/dbraw/zinc/82/42/84/1048824284.db2.gz HSBJAPYXFBYSGK-CHWSQXEVSA-N 1 0 330.384 4.029 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)c1O ZINC000846162905 1048827584 /nfs/dbraw/zinc/82/75/84/1048827584.db2.gz NOTPEVHREUQTHL-WBMJQRKESA-N 1 0 331.387 4.104 20 10 EICDRO Oc1c(C[NH2+]CCc2nc3c(s2)CCCC3)ccc2ccccc21 ZINC000816550563 1048828221 /nfs/dbraw/zinc/82/82/21/1048828221.db2.gz UZDFOHKXPMSUQQ-UHFFFAOYSA-N 1 0 338.476 4.213 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c1O ZINC000846170478 1048828491 /nfs/dbraw/zinc/82/84/91/1048828491.db2.gz LJNHQFMSWJWLRC-KGLIPLIRSA-N 1 0 345.439 4.138 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1O ZINC000846168002 1048828625 /nfs/dbraw/zinc/82/86/25/1048828625.db2.gz PWMGBBJBAMOQCW-CXAGYDPISA-N 1 0 348.874 4.008 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167711 1048828672 /nfs/dbraw/zinc/82/86/72/1048828672.db2.gz MTJVYAWCTQXZRB-WMZOPIPTSA-N 1 0 343.467 4.089 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCCOc2ccc(F)cc2)c1O ZINC000846138258 1048830108 /nfs/dbraw/zinc/83/01/08/1048830108.db2.gz AGLLAVQATLTZDO-CQSZACIVSA-N 1 0 333.403 4.050 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(OC(C)C)cc2)c1O ZINC000846137707 1048830254 /nfs/dbraw/zinc/83/02/54/1048830254.db2.gz GBXNOGQBNCXMJY-OAHLLOKOSA-N 1 0 329.440 4.081 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1O ZINC000846143669 1048831588 /nfs/dbraw/zinc/83/15/88/1048831588.db2.gz FPJJSYJMTMRCJX-GDBMZVCRSA-N 1 0 333.428 4.058 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1O ZINC000846142705 1048831849 /nfs/dbraw/zinc/83/18/49/1048831849.db2.gz ALCPRHHLMJDPJG-ZDUSSCGKSA-N 1 0 346.496 4.020 20 10 EICDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)Oc1ccccc1F ZINC000846144373 1048831868 /nfs/dbraw/zinc/83/18/68/1048831868.db2.gz CPCUDDKEVIMECT-KGLIPLIRSA-N 1 0 333.403 4.048 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)c1O ZINC000846142698 1048832058 /nfs/dbraw/zinc/83/20/58/1048832058.db2.gz ABYBXHPFLFMRJN-YJBOKZPZSA-N 1 0 328.456 4.188 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000846181496 1048835489 /nfs/dbraw/zinc/83/54/89/1048835489.db2.gz BOINGSSGLGEAGI-AUSJPIAWSA-N 1 0 330.447 4.055 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)c(N2CCCC2)n1 ZINC000816566367 1048837437 /nfs/dbraw/zinc/83/74/37/1048837437.db2.gz SRSUJHWRYQCZQL-UHFFFAOYSA-N 1 0 347.462 4.139 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1O ZINC000816625108 1048839246 /nfs/dbraw/zinc/83/92/46/1048839246.db2.gz RQYBWVUNQADNDI-YGUOUDRMSA-N 1 0 335.806 4.229 20 10 EICDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2cc(F)ccc2O1 ZINC000846201391 1048841184 /nfs/dbraw/zinc/84/11/84/1048841184.db2.gz LUEHQJHJWJNQED-JKSUJKDBSA-N 1 0 327.399 4.411 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1O ZINC000816651097 1048848338 /nfs/dbraw/zinc/84/83/38/1048848338.db2.gz SMQMTDSAMRPXCM-UHFFFAOYSA-N 1 0 345.748 4.384 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665934 1048851401 /nfs/dbraw/zinc/85/14/01/1048851401.db2.gz AJSCIFGLXYCICL-VXKWHMMOSA-N 1 0 335.447 4.203 20 10 EICDRO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000816667449 1048852065 /nfs/dbraw/zinc/85/20/65/1048852065.db2.gz NMMFJKFNFQYFNA-QGZVFWFLSA-N 1 0 333.516 4.334 20 10 EICDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000817415717 1048966636 /nfs/dbraw/zinc/96/66/36/1048966636.db2.gz XIKZKNBOJMHBSS-MOPGFXCFSA-N 1 0 341.451 4.018 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000817415733 1048967233 /nfs/dbraw/zinc/96/72/33/1048967233.db2.gz XQHKBXPYXABGFQ-UMVBOHGHSA-N 1 0 331.378 4.409 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c(F)c1 ZINC000817573139 1049004005 /nfs/dbraw/zinc/00/40/05/1049004005.db2.gz BNLMIUOFEHSYSA-HXUWFJFHSA-N 1 0 327.399 4.010 20 10 EICDRO CC1CCN(c2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901323 1049055340 /nfs/dbraw/zinc/05/53/40/1049055340.db2.gz BTHIOVYBVFMYIE-FCHUYYIVSA-N 1 0 335.495 4.157 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000817962342 1049069306 /nfs/dbraw/zinc/06/93/06/1049069306.db2.gz IASUSLIBYRNJHH-NWDGAFQWSA-N 1 0 338.373 4.282 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2O ZINC000817977462 1049078231 /nfs/dbraw/zinc/07/82/31/1049078231.db2.gz KRLDAJKMKOYBGW-YVEFUNNKSA-N 1 0 326.415 4.228 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817987232 1049081161 /nfs/dbraw/zinc/08/11/61/1049081161.db2.gz RCLFYTMYJBQVNF-NLZNIHBBSA-N 1 0 343.298 4.128 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4occc4c3)C2)cc1 ZINC000818219340 1049114235 /nfs/dbraw/zinc/11/42/35/1049114235.db2.gz CAYBEGDQTRJNIY-QGZVFWFLSA-N 1 0 336.435 4.058 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000811510867 1049126003 /nfs/dbraw/zinc/12/60/03/1049126003.db2.gz QJFAFQZYLUKZDF-VQTJNVASSA-N 1 0 328.500 4.066 20 10 EICDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000811511511 1049126094 /nfs/dbraw/zinc/12/60/94/1049126094.db2.gz KTCQBWICYKPUBA-OAHLLOKOSA-N 1 0 347.405 4.448 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818342715 1049134659 /nfs/dbraw/zinc/13/46/59/1049134659.db2.gz UVLGOCSMYNTEAQ-HOTGVXAUSA-N 1 0 328.456 4.028 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(C)c(C)o3)C2)cc1 ZINC000818342349 1049135997 /nfs/dbraw/zinc/13/59/97/1049135997.db2.gz PMDZEDGGKNUTIG-DOTOQJQBSA-N 1 0 328.456 4.082 20 10 EICDRO C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCC1(F)F ZINC000811780081 1049263091 /nfs/dbraw/zinc/26/30/91/1049263091.db2.gz VGIPFMCZMQINIL-GFCCVEGCSA-N 1 0 335.394 4.494 20 10 EICDRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1OC ZINC000772994805 1049385870 /nfs/dbraw/zinc/38/58/70/1049385870.db2.gz BNHXQDHFRXHWCL-CQSZACIVSA-N 1 0 346.446 4.068 20 10 EICDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)CCC2 ZINC000747788714 1049458939 /nfs/dbraw/zinc/45/89/39/1049458939.db2.gz NOJQARFMSAGBKB-OAQYLSRUSA-N 1 0 337.463 4.062 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@H](O)c1c(F)cccc1F ZINC000773029950 1049540834 /nfs/dbraw/zinc/54/08/34/1049540834.db2.gz LGXRXQGIWBFHEM-MJWYBRSISA-N 1 0 348.437 4.194 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773040940 1049546079 /nfs/dbraw/zinc/54/60/79/1049546079.db2.gz PDWLEJDTYPTSTN-UAOJZALGSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773045506 1049549388 /nfs/dbraw/zinc/54/93/88/1049549388.db2.gz WQGURHGHZQMCLZ-MRXNPFEDSA-N 1 0 334.479 4.283 20 10 EICDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050943 1049554786 /nfs/dbraw/zinc/55/47/86/1049554786.db2.gz VWMLSLMQKPJMMH-LPHOPBHVSA-N 1 0 344.524 4.431 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171381964 1049575688 /nfs/dbraw/zinc/57/56/88/1049575688.db2.gz IIQMGBVVXDVKIQ-SFHVURJKSA-N 1 0 330.422 4.020 20 10 EICDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773149883 1049613894 /nfs/dbraw/zinc/61/38/94/1049613894.db2.gz NAAZNSCJXIWLTD-WHSLLNHNSA-N 1 0 342.483 4.188 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)ccc1O ZINC000715992937 1049665933 /nfs/dbraw/zinc/66/59/33/1049665933.db2.gz HGOZYPLNBBKPFG-CABZTGNLSA-N 1 0 341.274 4.413 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000773258071 1049677158 /nfs/dbraw/zinc/67/71/58/1049677158.db2.gz GQMIZDQYLTYMLL-HOTGVXAUSA-N 1 0 347.499 4.034 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000037363173 1049703997 /nfs/dbraw/zinc/70/39/97/1049703997.db2.gz XAUWBFHUKNFCLT-LBPRGKRZSA-N 1 0 332.241 4.235 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(N(C)C)cc1 ZINC001171514628 1049744869 /nfs/dbraw/zinc/74/48/69/1049744869.db2.gz CFNWJPGPZMBJTO-SWLSCSKDSA-N 1 0 348.412 4.378 20 10 EICDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)c(O)c1 ZINC001171520677 1049747429 /nfs/dbraw/zinc/74/74/29/1049747429.db2.gz OUAKKMWFAKNVTD-ZDUSSCGKSA-N 1 0 335.369 4.073 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170995945 1049797652 /nfs/dbraw/zinc/79/76/52/1049797652.db2.gz GUDOKDYCPZNGCN-HXUWFJFHSA-N 1 0 338.470 4.415 20 10 EICDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1OCCc2sccc21 ZINC000813885817 1049831920 /nfs/dbraw/zinc/83/19/20/1049831920.db2.gz XVDJDEOVXVIRIV-NTNWHXMLSA-N 1 0 347.455 4.433 20 10 EICDRO COCC1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823436724 1049847996 /nfs/dbraw/zinc/84/79/96/1049847996.db2.gz CLCVZMGUIOFODS-UHFFFAOYSA-N 1 0 344.524 4.243 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)ccc21 ZINC000823729903 1049873685 /nfs/dbraw/zinc/87/36/85/1049873685.db2.gz MUPSHGBGXDTTNY-UHFFFAOYSA-N 1 0 341.842 4.153 20 10 EICDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823944023 1049889300 /nfs/dbraw/zinc/88/93/00/1049889300.db2.gz RNOLUTIXBPAHNK-SJLPKXTDSA-N 1 0 346.540 4.271 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000824037619 1049894528 /nfs/dbraw/zinc/89/45/28/1049894528.db2.gz VSCOMRATEZKXLU-KRWDZBQOSA-N 1 0 344.524 4.432 20 10 EICDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000824074397 1049897345 /nfs/dbraw/zinc/89/73/45/1049897345.db2.gz URMLQODURXPFNK-WMZOPIPTSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCCOC1 ZINC000824134624 1049899166 /nfs/dbraw/zinc/89/91/66/1049899166.db2.gz ILZNGHLBNJDIOM-WMZOPIPTSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCCOC1 ZINC000824134622 1049899519 /nfs/dbraw/zinc/89/95/19/1049899519.db2.gz ILZNGHLBNJDIOM-SJLPKXTDSA-N 1 0 344.524 4.289 20 10 EICDRO Oc1ccc(CC[NH2+]C2CCC(Cc3ccccc3)CC2)cc1O ZINC001172818664 1050162569 /nfs/dbraw/zinc/16/25/69/1050162569.db2.gz OZYFZMVADADPAW-UHFFFAOYSA-N 1 0 325.452 4.031 20 10 EICDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Br)cc1O)CC2 ZINC001172830970 1050169804 /nfs/dbraw/zinc/16/98/04/1050169804.db2.gz LNJMPPTUERGDHW-QGZVFWFLSA-N 1 0 346.268 4.110 20 10 EICDRO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172862352 1050198057 /nfs/dbraw/zinc/19/80/57/1050198057.db2.gz QMQCUWMKLLMGBB-LBPRGKRZSA-N 1 0 349.833 4.270 20 10 EICDRO CCCOc1ccc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)cc1C ZINC001177515084 1050234001 /nfs/dbraw/zinc/23/40/01/1050234001.db2.gz ABFRUHQOIMNNOS-SFHVURJKSA-N 1 0 338.495 4.325 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2Br)cc1 ZINC001177541949 1050248855 /nfs/dbraw/zinc/24/88/55/1050248855.db2.gz GMBVDHCPBHOSAH-WAYWQWQTSA-N 1 0 345.284 4.318 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccnc(OCC3CC3)c2)cc1C ZINC001177674084 1050276416 /nfs/dbraw/zinc/27/64/16/1050276416.db2.gz KXKQFWVBESUCPQ-UHFFFAOYSA-N 1 0 340.467 4.257 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCc2ncsc2C1 ZINC001173131806 1050321043 /nfs/dbraw/zinc/32/10/43/1050321043.db2.gz DWEUTMQNUOGTQO-ORAYPTAESA-N 1 0 342.508 4.236 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1cccc(Cl)c1 ZINC001177976831 1050359975 /nfs/dbraw/zinc/35/99/75/1050359975.db2.gz IKICLNPVKHODKS-QGZVFWFLSA-N 1 0 331.843 4.222 20 10 EICDRO [NH3+][C@@H]1CCc2c1cccc2NCc1cc(Cl)c2cccnc2c1O ZINC001168526258 1050421779 /nfs/dbraw/zinc/42/17/79/1050421779.db2.gz UREJTWCVHRYRQW-MRXNPFEDSA-N 1 0 339.826 4.152 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001178368997 1050455306 /nfs/dbraw/zinc/45/53/06/1050455306.db2.gz DAKWLAFELRAVCB-JOCHJYFZSA-N 1 0 336.479 4.463 20 10 EICDRO CCN(CC)c1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1F ZINC001178462429 1050473764 /nfs/dbraw/zinc/47/37/64/1050473764.db2.gz FOVLUMKCYVTMEM-KRWDZBQOSA-N 1 0 335.511 4.026 20 10 EICDRO COC1(CC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCC1 ZINC001178823340 1050565016 /nfs/dbraw/zinc/56/50/16/1050565016.db2.gz FQFAECGBFPUWQP-UHFFFAOYSA-N 1 0 344.524 4.433 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)c1 ZINC001178971999 1050601629 /nfs/dbraw/zinc/60/16/29/1050601629.db2.gz NRPYISSWCJENLH-SFHVURJKSA-N 1 0 340.511 4.489 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccc(C)cc3)no2)c1 ZINC000182363377 1050628122 /nfs/dbraw/zinc/62/81/22/1050628122.db2.gz GDBDAFNZLWRODI-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000775149301 1050635831 /nfs/dbraw/zinc/63/58/31/1050635831.db2.gz PMQIIAZVCIJPAB-UHFFFAOYSA-N 1 0 346.515 4.262 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)oc4ccccc43)C2)cc1 ZINC001179128656 1050636468 /nfs/dbraw/zinc/63/64/68/1050636468.db2.gz BXGQZIWYMCPFBO-INIZCTEOSA-N 1 0 336.435 4.118 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)c2cccc3ccccc32)cc1 ZINC001179123178 1050637534 /nfs/dbraw/zinc/63/75/34/1050637534.db2.gz PMCTWNUFLLSYEN-KSEXMQBYSA-N 1 0 346.474 4.242 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000182426490 1050652875 /nfs/dbraw/zinc/65/28/75/1050652875.db2.gz BGXHJHYEVGZCMQ-CYBMUJFWSA-N 1 0 340.448 4.375 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC23CC3)c(C(F)(F)F)c1 ZINC001179303834 1050666792 /nfs/dbraw/zinc/66/67/92/1050666792.db2.gz AVXIQELSYLXJEX-CQSZACIVSA-N 1 0 326.406 4.441 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)c1 ZINC000182460385 1050671693 /nfs/dbraw/zinc/67/16/93/1050671693.db2.gz ROVCYEXYPPKMHT-NSHDSACASA-N 1 0 344.436 4.277 20 10 EICDRO COCc1ccc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)o1 ZINC001179332782 1050676914 /nfs/dbraw/zinc/67/69/14/1050676914.db2.gz DXDSMZFLGSNIJV-UHFFFAOYSA-N 1 0 338.451 4.432 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cnc3ccccc3c2)cc1 ZINC001179537459 1050711897 /nfs/dbraw/zinc/71/18/97/1050711897.db2.gz KYUKANPLEPFCIT-WAYWQWQTSA-N 1 0 331.463 4.146 20 10 EICDRO C[C@@H]1CC(C)(C)C[C@](C)([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001179511831 1050715718 /nfs/dbraw/zinc/71/57/18/1050715718.db2.gz GKRSEAXIPOHVQO-DYESRHJHSA-N 1 0 330.516 4.218 20 10 EICDRO Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)c(F)c1 ZINC001179673452 1050755738 /nfs/dbraw/zinc/75/57/38/1050755738.db2.gz DRCCGRBHRXEVAG-JCNLHEQBSA-N 1 0 329.390 4.326 20 10 EICDRO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001179845592 1050797888 /nfs/dbraw/zinc/79/78/88/1050797888.db2.gz VLBUDTLUGLUSJG-UHFFFAOYSA-N 1 0 348.494 4.187 20 10 EICDRO CC[C@H]1CCCC[C@@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969930 1050835819 /nfs/dbraw/zinc/83/58/19/1050835819.db2.gz PLZCYWKSARZUHB-RBUKOAKNSA-N 1 0 330.516 4.424 20 10 EICDRO C[C@@H]1CCN(Cc2ccc(Cl)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC001180088508 1050864907 /nfs/dbraw/zinc/86/49/07/1050864907.db2.gz ZKQBZBLYYUQNDD-MRXNPFEDSA-N 1 0 344.886 4.142 20 10 EICDRO C[C@@H](c1ccco1)[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC001180064711 1050872982 /nfs/dbraw/zinc/87/29/82/1050872982.db2.gz SKDFBUCTEZXOTR-NSHDSACASA-N 1 0 336.229 4.473 20 10 EICDRO Cc1cc(O)c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(Cl)c1 ZINC001180077234 1050874285 /nfs/dbraw/zinc/87/42/85/1050874285.db2.gz OCNPRRCWLXYCCY-SJCJKPOMSA-N 1 0 337.872 4.378 20 10 EICDRO CCOc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cc1F ZINC001180479483 1051000286 /nfs/dbraw/zinc/00/02/86/1051000286.db2.gz NKVONNYZUABMPA-UHFFFAOYSA-N 1 0 330.447 4.313 20 10 EICDRO CC(C)c1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC001180523904 1051015148 /nfs/dbraw/zinc/01/51/48/1051015148.db2.gz VIKLLTSDGDAGKO-QFIPXVFZSA-N 1 0 339.479 4.461 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccc(Cl)cc2O)C2CC2)cc1 ZINC001180558822 1051034695 /nfs/dbraw/zinc/03/46/95/1051034695.db2.gz WKNLPPZLMBRMML-UHFFFAOYSA-N 1 0 330.859 4.276 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365753 1051135034 /nfs/dbraw/zinc/13/50/34/1051135034.db2.gz WTTXGCBNKMDQAH-GFCCVEGCSA-N 1 0 338.373 4.344 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc3ccccc3c2)c1 ZINC000775372001 1051142396 /nfs/dbraw/zinc/14/23/96/1051142396.db2.gz XJBDKMZBLNXDAC-OAHLLOKOSA-N 1 0 337.419 4.284 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000775369653 1051143474 /nfs/dbraw/zinc/14/34/74/1051143474.db2.gz DSNOPFUEGHBDGM-LBPRGKRZSA-N 1 0 337.872 4.497 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1OC(F)F ZINC000183554493 1051166651 /nfs/dbraw/zinc/16/66/51/1051166651.db2.gz SRGPTRMYAOLIOK-LBPRGKRZSA-N 1 0 337.366 4.243 20 10 EICDRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183595131 1051176733 /nfs/dbraw/zinc/17/67/33/1051176733.db2.gz AGVLLJFKRPIZSF-CABCVRRESA-N 1 0 331.481 4.480 20 10 EICDRO CCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)[C@H](O)c1ccccc1 ZINC001181419200 1051219488 /nfs/dbraw/zinc/21/94/88/1051219488.db2.gz WCEOWXOWGMLRDK-PKOBYXMFSA-N 1 0 333.859 4.346 20 10 EICDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001181400734 1051227181 /nfs/dbraw/zinc/22/71/81/1051227181.db2.gz WASVLDQCIMHMJN-HXUWFJFHSA-N 1 0 344.524 4.385 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2SC)c1 ZINC001181543576 1051247070 /nfs/dbraw/zinc/24/70/70/1051247070.db2.gz GBDFFMRYJDJRHS-KBPBESRZSA-N 1 0 331.481 4.405 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(Sc3ccccc3)C2)c1 ZINC001181544010 1051251978 /nfs/dbraw/zinc/25/19/78/1051251978.db2.gz JXMFNSNSGMJHKY-CBCUQQMYSA-N 1 0 329.465 4.375 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775410611 1051275152 /nfs/dbraw/zinc/27/51/52/1051275152.db2.gz AWAVEFMEXPNYFF-WBVHZDCISA-N 1 0 339.357 4.185 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000775410264 1051275198 /nfs/dbraw/zinc/27/51/98/1051275198.db2.gz RPAQFDGICNVNOK-MRXNPFEDSA-N 1 0 333.815 4.058 20 10 EICDRO CCN(C)c1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001191060229 1051337582 /nfs/dbraw/zinc/33/75/82/1051337582.db2.gz ZBQZAPKZYHENMG-FPOVZHCZSA-N 1 0 343.559 4.229 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3[C@H](C)C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001191078067 1051343421 /nfs/dbraw/zinc/34/34/21/1051343421.db2.gz PTCLBLLLOSTNMI-SFGWALBWSA-N 1 0 342.527 4.455 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000774131373 1051472204 /nfs/dbraw/zinc/47/22/04/1051472204.db2.gz OLRRPEGUTWMQMC-OAHLLOKOSA-N 1 0 330.497 4.300 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccccc1O ZINC000775483203 1051551955 /nfs/dbraw/zinc/55/19/55/1051551955.db2.gz OXNFZFCZMRCKQU-QZTJIDSGSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483563 1051556521 /nfs/dbraw/zinc/55/65/21/1051556521.db2.gz YFWKUTPLHPJUFA-ZDUSSCGKSA-N 1 0 333.303 4.328 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cc(Cl)ccc1O ZINC000775486507 1051560519 /nfs/dbraw/zinc/56/05/19/1051560519.db2.gz CJHJQAVZNFGFIR-MRXNPFEDSA-N 1 0 334.847 4.469 20 10 EICDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000774382023 1051569684 /nfs/dbraw/zinc/56/96/84/1051569684.db2.gz MVGBSPJUVKWBLF-LJQANCHMSA-N 1 0 339.439 4.086 20 10 EICDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775489699 1051581789 /nfs/dbraw/zinc/58/17/89/1051581789.db2.gz QOMKRIYETCWGDZ-GJZGRUSLSA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1O ZINC000775492491 1051585069 /nfs/dbraw/zinc/58/50/69/1051585069.db2.gz OHLXXPRBVFUYIX-SFHVURJKSA-N 1 0 341.842 4.472 20 10 EICDRO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775492032 1051586374 /nfs/dbraw/zinc/58/63/74/1051586374.db2.gz KQRTVJVAXVOJHZ-LBPRGKRZSA-N 1 0 325.758 4.055 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1O ZINC000775492488 1051594621 /nfs/dbraw/zinc/59/46/21/1051594621.db2.gz OHLXXPRBVFUYIX-GOSISDBHSA-N 1 0 341.842 4.472 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483749 1051610254 /nfs/dbraw/zinc/61/02/54/1051610254.db2.gz LXGHNHVAAQCGMP-ZIAGYGMSSA-N 1 0 345.874 4.084 20 10 EICDRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483404 1051613993 /nfs/dbraw/zinc/61/39/93/1051613993.db2.gz KGHBTFADFOJBRU-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2csc(Br)c2)c1 ZINC000273374724 1051618852 /nfs/dbraw/zinc/61/88/52/1051618852.db2.gz GYPMSKBBSMMMCC-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC001182491546 1051627091 /nfs/dbraw/zinc/62/70/91/1051627091.db2.gz XPXSOXZSTQQMNH-UHFFFAOYSA-N 1 0 348.531 4.299 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775509074 1051648826 /nfs/dbraw/zinc/64/88/26/1051648826.db2.gz NAUHJTGONDAILH-APPDUMDISA-N 1 0 335.879 4.068 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775509083 1051648922 /nfs/dbraw/zinc/64/89/22/1051648922.db2.gz NAUHJTGONDAILH-PIGZYNQJSA-N 1 0 335.879 4.068 20 10 EICDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C(C)C)ccc1O ZINC001182635101 1051654613 /nfs/dbraw/zinc/65/46/13/1051654613.db2.gz WLUFRBXQUKNILG-QGZVFWFLSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000775521903 1051689580 /nfs/dbraw/zinc/68/95/80/1051689580.db2.gz DKWBUFGOSXBBMI-JLJPHGGASA-N 1 0 341.904 4.141 20 10 EICDRO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000775522501 1051694222 /nfs/dbraw/zinc/69/42/22/1051694222.db2.gz RIURVKIXFAWGAE-COXVUDFISA-N 1 0 325.880 4.418 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cc(Cl)ccc1O ZINC000775523955 1051699791 /nfs/dbraw/zinc/69/97/91/1051699791.db2.gz BRFOQEIKXRRRCA-LQKXBSAESA-N 1 0 343.945 4.466 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccccc1O ZINC000775527028 1051715451 /nfs/dbraw/zinc/71/54/51/1051715451.db2.gz VNWUKJWJRUTURC-WBVHZDCISA-N 1 0 329.440 4.157 20 10 EICDRO CCc1cccc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)c1O ZINC001182815866 1051716744 /nfs/dbraw/zinc/71/67/44/1051716744.db2.gz GQKDDFJZXWOKMQ-UHFFFAOYSA-N 1 0 347.499 4.289 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1O ZINC001183123431 1051784812 /nfs/dbraw/zinc/78/48/12/1051784812.db2.gz OKLWBEJTYBABCZ-KOMQPUFPSA-N 1 0 349.883 4.467 20 10 EICDRO Oc1ccc(F)cc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001206256302 1051814622 /nfs/dbraw/zinc/81/46/22/1051814622.db2.gz QKPJJDGRUCFYTJ-UHFFFAOYSA-N 1 0 335.369 4.264 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000775551015 1051819299 /nfs/dbraw/zinc/81/92/99/1051819299.db2.gz GDCFYQRLYBFBOR-SJLPKXTDSA-N 1 0 333.859 4.080 20 10 EICDRO COC1CCC([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001183270348 1051820037 /nfs/dbraw/zinc/82/00/37/1051820037.db2.gz SVVAOXBGSGGYPL-UHFFFAOYSA-N 1 0 326.484 4.450 20 10 EICDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC001204165514 1051874760 /nfs/dbraw/zinc/87/47/60/1051874760.db2.gz CUXKGVQKJNLOPD-UHFFFAOYSA-N 1 0 337.341 4.065 20 10 EICDRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000184316773 1051907440 /nfs/dbraw/zinc/90/74/40/1051907440.db2.gz CRZZDQQULRXCCW-OAHLLOKOSA-N 1 0 348.487 4.080 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1O ZINC001203609033 1052183183 /nfs/dbraw/zinc/18/31/83/1052183183.db2.gz GSFIMUCIKGUUTI-CQSZACIVSA-N 1 0 331.843 4.434 20 10 EICDRO CCOc1ccc(CC[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001176832818 1052195739 /nfs/dbraw/zinc/19/57/39/1052195739.db2.gz JUHIRKFXOAQWNQ-UHFFFAOYSA-N 1 0 326.484 4.134 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1[O-] ZINC000184910360 1052294102 /nfs/dbraw/zinc/29/41/02/1052294102.db2.gz ZUKYIKPIMPJHCJ-SNVBAGLBSA-N 1 0 329.293 4.281 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C)cc1O)O[C@@H](C)C2 ZINC000184898061 1052298022 /nfs/dbraw/zinc/29/80/22/1052298022.db2.gz PDGCPFQMVBZLJC-LSDHHAIUSA-N 1 0 341.451 4.274 20 10 EICDRO COCc1ccccc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184925932 1052303266 /nfs/dbraw/zinc/30/32/66/1052303266.db2.gz CYHPQBVPYNFVPB-HNNXBMFYSA-N 1 0 325.452 4.268 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cc1F ZINC000184927775 1052314244 /nfs/dbraw/zinc/31/42/44/1052314244.db2.gz IHVSQJIWIYJWOQ-ZDUSSCGKSA-N 1 0 329.415 4.270 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000184944630 1052330953 /nfs/dbraw/zinc/33/09/53/1052330953.db2.gz UECYBRDNEVVYBT-ORAYPTAESA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c1 ZINC000185053148 1052379717 /nfs/dbraw/zinc/37/97/17/1052379717.db2.gz XXPGYWOTVBSWER-GOSISDBHSA-N 1 0 338.495 4.324 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc2ccccc2c1O ZINC000185121709 1052443982 /nfs/dbraw/zinc/44/39/82/1052443982.db2.gz QQQNXUNTTLRSJR-CYBMUJFWSA-N 1 0 325.383 4.028 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c(O)c1 ZINC000185126769 1052447296 /nfs/dbraw/zinc/44/72/96/1052447296.db2.gz JXNDJHCLLLBLRG-SFHVURJKSA-N 1 0 339.479 4.408 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000185128683 1052449378 /nfs/dbraw/zinc/44/93/78/1052449378.db2.gz QBNLHJAQNSBLAC-HZPDHXFCSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000185245421 1052549603 /nfs/dbraw/zinc/54/96/03/1052549603.db2.gz ZUTQJTIWQTZIDD-IAGOWNOFSA-N 1 0 344.524 4.325 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000185312030 1052576482 /nfs/dbraw/zinc/57/64/82/1052576482.db2.gz SVKYDGGPZURYKR-MRXNPFEDSA-N 1 0 340.467 4.029 20 10 EICDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185551083 1052637692 /nfs/dbraw/zinc/63/76/92/1052637692.db2.gz OTAYRUYZHSPZSQ-HUUCEWRRSA-N 1 0 329.440 4.254 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630738 1052662413 /nfs/dbraw/zinc/66/24/13/1052662413.db2.gz KEBURQOQHAEHBN-KSSFIOAISA-N 1 0 329.440 4.211 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1O ZINC000185658812 1052666622 /nfs/dbraw/zinc/66/66/22/1052666622.db2.gz HUFIPQAXUWCIJO-GJYPPUQNSA-N 1 0 342.458 4.235 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c1 ZINC000185720636 1052685414 /nfs/dbraw/zinc/68/54/14/1052685414.db2.gz VUZITRZVXNDNCI-CXAGYDPISA-N 1 0 327.449 4.300 20 10 EICDRO Cc1ccc(O)c(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1 ZINC000185714319 1052685601 /nfs/dbraw/zinc/68/56/01/1052685601.db2.gz KYCYSGDIAJXPJG-UHFFFAOYSA-N 1 0 325.452 4.177 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c(O)c1 ZINC000185721277 1052685902 /nfs/dbraw/zinc/68/59/02/1052685902.db2.gz JPKDHZYTDRGPPD-CXAGYDPISA-N 1 0 327.449 4.300 20 10 EICDRO COc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000186147317 1052949169 /nfs/dbraw/zinc/94/91/69/1052949169.db2.gz BBFBTEBTSBCBBH-AWEZNQCLSA-N 1 0 346.496 4.085 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1 ZINC000850136350 1053074949 /nfs/dbraw/zinc/07/49/49/1053074949.db2.gz SHUNNPOSUAVPHQ-IBGZPJMESA-N 1 0 343.467 4.176 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850195960 1053084711 /nfs/dbraw/zinc/08/47/11/1053084711.db2.gz KRHOEMNLDGFAEW-MRXNPFEDSA-N 1 0 347.499 4.280 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1O ZINC000850343870 1053124069 /nfs/dbraw/zinc/12/40/69/1053124069.db2.gz SFSDERRPOSVHCD-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862770 1053129970 /nfs/dbraw/zinc/12/99/70/1053129970.db2.gz DYUZZHVSFNAZIM-SFTDATJTSA-N 1 0 342.527 4.375 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC1SCCS1 ZINC000850407972 1053175847 /nfs/dbraw/zinc/17/58/47/1053175847.db2.gz XTOWHJHZQAEAIK-UHFFFAOYSA-N 1 0 331.506 4.345 20 10 EICDRO CC[C@@H]([NH2+]CCc1noc2ccccc21)c1cc(Cl)ccc1O ZINC000850483485 1053252294 /nfs/dbraw/zinc/25/22/94/1053252294.db2.gz QGYILKJYXCLJTH-OAHLLOKOSA-N 1 0 330.815 4.470 20 10 EICDRO C[C@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000850482564 1053253576 /nfs/dbraw/zinc/25/35/76/1053253576.db2.gz KAVLKGXHAVLEHB-NHYWBVRUSA-N 1 0 326.371 4.053 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3nccc4ccccc43)C2)cc1 ZINC000850488548 1053256509 /nfs/dbraw/zinc/25/65/09/1053256509.db2.gz TXQANXQJKUHIDN-WMZOPIPTSA-N 1 0 347.462 4.173 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488784 1053257046 /nfs/dbraw/zinc/25/70/46/1053257046.db2.gz OSJGBOFIWGEWGQ-LSDHHAIUSA-N 1 0 345.512 4.205 20 10 EICDRO CSCC1(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000850506156 1053264059 /nfs/dbraw/zinc/26/40/59/1053264059.db2.gz HMSFSBUDBQDULH-NSHDSACASA-N 1 0 344.318 4.339 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1O ZINC000850504808 1053266387 /nfs/dbraw/zinc/26/63/87/1053266387.db2.gz FQDDRJJHSXFVAR-MEBBXXQBSA-N 1 0 335.341 4.072 20 10 EICDRO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1O ZINC000850515533 1053271716 /nfs/dbraw/zinc/27/17/16/1053271716.db2.gz YBLPFHBPBXYINI-QZTJIDSGSA-N 1 0 349.858 4.483 20 10 EICDRO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515281 1053274312 /nfs/dbraw/zinc/27/43/12/1053274312.db2.gz VKHMTQJIIPLIIS-RTWAWAEBSA-N 1 0 342.483 4.190 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)c2cncs2)c(C)n1-c1ccccc1 ZINC000764716120 1053278655 /nfs/dbraw/zinc/27/86/55/1053278655.db2.gz IBHIYLMXCVHAFI-HNNXBMFYSA-N 1 0 325.481 4.444 20 10 EICDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)ccc1O ZINC000850526262 1053284344 /nfs/dbraw/zinc/28/43/44/1053284344.db2.gz OOGWWJDUFHJGPE-NSHDSACASA-N 1 0 330.266 4.011 20 10 EICDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850526195 1053285033 /nfs/dbraw/zinc/28/50/33/1053285033.db2.gz UADGQMQONCAYDX-RDJZCZTQSA-N 1 0 332.463 4.178 20 10 EICDRO COc1ccc(-c2cc(C[NH2+][C@H](C)c3cc(C)ccc3O)on2)cc1 ZINC000850525989 1053286876 /nfs/dbraw/zinc/28/68/76/1053286876.db2.gz NUMDUPFOMDPADH-CQSZACIVSA-N 1 0 338.407 4.215 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1O ZINC000850537597 1053301536 /nfs/dbraw/zinc/30/15/36/1053301536.db2.gz WESCVOONCDFRFT-NOZJJQNGSA-N 1 0 334.204 4.159 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O ZINC000850554581 1053310414 /nfs/dbraw/zinc/31/04/14/1053310414.db2.gz COZGVQVICOPLEG-ABKXIKBNSA-N 1 0 344.213 4.222 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850557255 1053312072 /nfs/dbraw/zinc/31/20/72/1053312072.db2.gz NOKMBBGUHOINBV-NVXWUHKLSA-N 1 0 340.250 4.473 20 10 EICDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000850556185 1053312911 /nfs/dbraw/zinc/31/29/11/1053312911.db2.gz RLZJVDVLWGEJMB-MPQSDHOMSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000850558954 1053314448 /nfs/dbraw/zinc/31/44/48/1053314448.db2.gz YCTMMQUTZJVWLP-DIFFPNOSSA-N 1 0 340.250 4.392 20 10 EICDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850566420 1053320863 /nfs/dbraw/zinc/32/08/63/1053320863.db2.gz NIVIBVQOUCWLOA-QFIPXVFZSA-N 1 0 338.495 4.135 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)cc1 ZINC000764818525 1053324408 /nfs/dbraw/zinc/32/44/08/1053324408.db2.gz MKNLBSWVLAAXDB-GOSISDBHSA-N 1 0 348.494 4.222 20 10 EICDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cs1 ZINC000764826312 1053330023 /nfs/dbraw/zinc/33/00/23/1053330023.db2.gz CNLBTJSGQGPYAZ-AWEZNQCLSA-N 1 0 347.503 4.474 20 10 EICDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000850585235 1053334092 /nfs/dbraw/zinc/33/40/92/1053334092.db2.gz XQNDIKGNOQSJML-ZSDSOXJFSA-N 1 0 325.452 4.044 20 10 EICDRO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584525 1053336401 /nfs/dbraw/zinc/33/64/01/1053336401.db2.gz QWHBIDRJBZAIST-SVMVAKDDSA-N 1 0 338.495 4.450 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000120215972 1053359728 /nfs/dbraw/zinc/35/97/28/1053359728.db2.gz DBUPCHCUFZHWOW-QWFCFKBJSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1cccc(C[N@H+](C)Cc2ccc(Br)s2)c1O ZINC000775647625 1053366854 /nfs/dbraw/zinc/36/68/54/1053366854.db2.gz ZRPSLIJMMUKKES-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c(O)c1 ZINC000776499047 1053381358 /nfs/dbraw/zinc/38/13/58/1053381358.db2.gz SITUSCZIMSLWKT-QGZVFWFLSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C)cc1O ZINC000794799010 1053385611 /nfs/dbraw/zinc/38/56/11/1053385611.db2.gz ZYGDCHPBFFLFJK-LJQANCHMSA-N 1 0 339.483 4.327 20 10 EICDRO CC[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794804938 1053391433 /nfs/dbraw/zinc/39/14/33/1053391433.db2.gz WJMXPLMASRTDNZ-DLBZAZTESA-N 1 0 348.487 4.045 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(C)cc1O ZINC000794804961 1053392854 /nfs/dbraw/zinc/39/28/54/1053392854.db2.gz OKCRUJWUEQDBAN-GOSISDBHSA-N 1 0 326.440 4.125 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C)cc1O ZINC000794804063 1053396554 /nfs/dbraw/zinc/39/65/54/1053396554.db2.gz LVKZEKDURGJFJQ-YJBOKZPZSA-N 1 0 344.524 4.250 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C)cc1O ZINC000794804054 1053397090 /nfs/dbraw/zinc/39/70/90/1053397090.db2.gz LVKZEKDURGJFJQ-MAUKXSAKSA-N 1 0 344.524 4.250 20 10 EICDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000101932374 1053402226 /nfs/dbraw/zinc/40/22/26/1053402226.db2.gz VLJHRNMGRWSZNT-UHFFFAOYSA-N 1 0 325.452 4.226 20 10 EICDRO Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(C)c3O)CC2)c(C)c1 ZINC000775654652 1053403468 /nfs/dbraw/zinc/40/34/68/1053403468.db2.gz OLCBTWNCIRFENC-UHFFFAOYSA-N 1 0 337.463 4.412 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2OC(C)C)cc1 ZINC000764985807 1053405537 /nfs/dbraw/zinc/40/55/37/1053405537.db2.gz VDFNXOMKQGOAPI-MRXNPFEDSA-N 1 0 327.472 4.176 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1O ZINC000794807803 1053416693 /nfs/dbraw/zinc/41/66/93/1053416693.db2.gz LSZIZVQMCRHNPB-ROUUACIJSA-N 1 0 348.437 4.322 20 10 EICDRO CC[C@@H]([NH2+]CCN(CC)CCC(F)(F)F)c1ccc(C)cc1O ZINC000794813805 1053421871 /nfs/dbraw/zinc/42/18/71/1053421871.db2.gz JVKIMONSOLOJRS-OAHLLOKOSA-N 1 0 332.410 4.016 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C)cc1O ZINC000794814432 1053421934 /nfs/dbraw/zinc/42/19/34/1053421934.db2.gz LEPBQVRGDIIJBW-KMFMINBZSA-N 1 0 345.405 4.225 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1O ZINC000794828521 1053440011 /nfs/dbraw/zinc/44/00/11/1053440011.db2.gz QCOSDNPEYOAHEQ-AEFFLSMTSA-N 1 0 337.822 4.267 20 10 EICDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775668550 1053459902 /nfs/dbraw/zinc/45/99/02/1053459902.db2.gz FIUDZTIHWNDXJN-LJQANCHMSA-N 1 0 335.451 4.407 20 10 EICDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765384025 1053530278 /nfs/dbraw/zinc/53/02/78/1053530278.db2.gz BPYGLQDSWXGLOC-SFHVURJKSA-N 1 0 345.874 4.085 20 10 EICDRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccccc1O ZINC000794842670 1053541522 /nfs/dbraw/zinc/54/15/22/1053541522.db2.gz SCZKJUVFFQCXSV-CYBMUJFWSA-N 1 0 339.357 4.227 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000765475486 1053560602 /nfs/dbraw/zinc/56/06/02/1053560602.db2.gz VKOIOCZAMFURDQ-SFHVURJKSA-N 1 0 328.431 4.204 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cc1C ZINC000865653059 1053564887 /nfs/dbraw/zinc/56/48/87/1053564887.db2.gz BCXQHFJMSZRVTP-QGZVFWFLSA-N 1 0 337.822 4.015 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)c(O)c1 ZINC000865653608 1053566303 /nfs/dbraw/zinc/56/63/03/1053566303.db2.gz SCFUTPKLSPLZSF-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)c(F)c(F)c1 ZINC000765481813 1053567808 /nfs/dbraw/zinc/56/78/08/1053567808.db2.gz RDMKBIFFPGLTOD-LBPRGKRZSA-N 1 0 334.385 4.337 20 10 EICDRO CCOCc1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)ccc1OC ZINC000865725656 1053578866 /nfs/dbraw/zinc/57/88/66/1053578866.db2.gz BECRVVUNQYJGDK-HXUWFJFHSA-N 1 0 347.499 4.061 20 10 EICDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000853096303 1053644837 /nfs/dbraw/zinc/64/48/37/1053644837.db2.gz WPKYYOONJQRIFQ-UHFFFAOYSA-N 1 0 340.183 4.223 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)CC(F)(F)F)ccc1OC ZINC000853096289 1053645042 /nfs/dbraw/zinc/64/50/42/1053645042.db2.gz WIVKEPORHVBYHY-UHFFFAOYSA-N 1 0 333.394 4.300 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(SC)cc3)CC2)cc1 ZINC000102432883 1053651187 /nfs/dbraw/zinc/65/11/87/1053651187.db2.gz QCMYWWYBIJXMIP-UHFFFAOYSA-N 1 0 342.508 4.176 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240304 1053655268 /nfs/dbraw/zinc/65/52/68/1053655268.db2.gz OSPZUWUCLMNJKX-MAUKXSAKSA-N 1 0 336.907 4.208 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240517 1053657212 /nfs/dbraw/zinc/65/72/12/1053657212.db2.gz HNPRCAABKFDQTD-QAPCUYQASA-N 1 0 333.435 4.224 20 10 EICDRO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cc(Cl)ccc1O ZINC000853242515 1053658054 /nfs/dbraw/zinc/65/80/54/1053658054.db2.gz PZRYSOZSNPXOAK-SECBINFHSA-N 1 0 330.737 4.310 20 10 EICDRO CSCC[C@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775713828 1053658670 /nfs/dbraw/zinc/65/86/70/1053658670.db2.gz JPGCNEQPTFUWRK-NSHDSACASA-N 1 0 332.307 4.037 20 10 EICDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775733706 1053716295 /nfs/dbraw/zinc/71/62/95/1053716295.db2.gz HFPIIGFVWNSSJF-SFHVURJKSA-N 1 0 335.451 4.023 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccsc2C(F)(F)F)c1O ZINC000866405496 1053716763 /nfs/dbraw/zinc/71/67/63/1053716763.db2.gz BXJHPXHIINYALF-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866406694 1053717407 /nfs/dbraw/zinc/71/74/07/1053717407.db2.gz GNECBACLJLEQRD-LRDDRELGSA-N 1 0 339.357 4.104 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1 ZINC000866422793 1053725252 /nfs/dbraw/zinc/72/52/52/1053725252.db2.gz RSRNJHHMESZUGB-INIZCTEOSA-N 1 0 341.451 4.079 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000866455226 1053738384 /nfs/dbraw/zinc/73/83/84/1053738384.db2.gz KDJAIRYTMZHKGQ-RKDXNWHRSA-N 1 0 341.274 4.331 20 10 EICDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486148 1053749169 /nfs/dbraw/zinc/74/91/69/1053749169.db2.gz ZPDXMLPGVUYMQX-RULNRJAQSA-N 1 0 342.370 4.277 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1C ZINC000866485764 1053750258 /nfs/dbraw/zinc/75/02/58/1053750258.db2.gz QYEBOLRHNOBWJT-CHWSQXEVSA-N 1 0 326.396 4.268 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000121082724 1053752901 /nfs/dbraw/zinc/75/29/01/1053752901.db2.gz RKGCSNFRYBRNMG-DOTOQJQBSA-N 1 0 348.487 4.080 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1OC ZINC000866506978 1053755681 /nfs/dbraw/zinc/75/56/81/1053755681.db2.gz AFXZZVQBBVEHLP-JKSUJKDBSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1O ZINC000866548600 1053780609 /nfs/dbraw/zinc/78/06/09/1053780609.db2.gz VRFDDIHESIZZTQ-ZOBUZTSGSA-N 1 0 348.487 4.045 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1C ZINC000866569176 1053792036 /nfs/dbraw/zinc/79/20/36/1053792036.db2.gz NMZHZZVMMMPCHU-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3C)CC2)cc1 ZINC000765637825 1053828896 /nfs/dbraw/zinc/82/88/96/1053828896.db2.gz HXAVUVMKHNDJGB-KSFYIVLOSA-N 1 0 336.479 4.187 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)cc1 ZINC000765638790 1053829269 /nfs/dbraw/zinc/82/92/69/1053829269.db2.gz QOQFDXGEEVWINW-LJQANCHMSA-N 1 0 340.492 4.101 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC000765664034 1053836619 /nfs/dbraw/zinc/83/66/19/1053836619.db2.gz YDAUGDSRMRZFRH-GHTZIAJQSA-N 1 0 325.452 4.450 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C(C)C ZINC000121763008 1053846235 /nfs/dbraw/zinc/84/62/35/1053846235.db2.gz LUTUGEKKUCHONE-DNVCBOLYSA-N 1 0 327.472 4.104 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000776775626 1053871883 /nfs/dbraw/zinc/87/18/83/1053871883.db2.gz CTQBQVZCPOPHSB-LJQANCHMSA-N 1 0 331.500 4.389 20 10 EICDRO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000113506132 1053958356 /nfs/dbraw/zinc/95/83/56/1053958356.db2.gz GBXZJVNQHWXURH-UHFFFAOYSA-N 1 0 333.863 4.032 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(OC)c(OC)c1 ZINC000122707364 1054020612 /nfs/dbraw/zinc/02/06/12/1054020612.db2.gz UVJQSWGODZMSNJ-IBGZPJMESA-N 1 0 342.483 4.319 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncc(Cl)c1 ZINC000856718943 1054098326 /nfs/dbraw/zinc/09/83/26/1054098326.db2.gz NPKMFAZAJZRIGZ-UHFFFAOYSA-N 1 0 329.875 4.357 20 10 EICDRO COc1ccc(O)c(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000775829634 1054099593 /nfs/dbraw/zinc/09/95/93/1054099593.db2.gz YIGKETMRJCKAEM-UHFFFAOYSA-N 1 0 337.341 4.199 20 10 EICDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775832301 1054103396 /nfs/dbraw/zinc/10/33/96/1054103396.db2.gz YGHBXVFTEBHJGB-SNVBAGLBSA-N 1 0 343.418 4.387 20 10 EICDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835226 1054114778 /nfs/dbraw/zinc/11/47/78/1054114778.db2.gz GDTWDTSOMLVIGZ-INIZCTEOSA-N 1 0 339.483 4.165 20 10 EICDRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834286 1054122534 /nfs/dbraw/zinc/12/25/34/1054122534.db2.gz QEZJAMAULSOTSG-CYBMUJFWSA-N 1 0 346.858 4.043 20 10 EICDRO COc1ccc(C[NH2+]CCCC2CCCC2)cc1Cn1cccn1 ZINC001198901763 1054294099 /nfs/dbraw/zinc/29/40/99/1054294099.db2.gz ZSNHLVQYYUYDJS-UHFFFAOYSA-N 1 0 327.472 4.000 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2)N(C)C)cc1C ZINC001198959321 1054314657 /nfs/dbraw/zinc/31/46/57/1054314657.db2.gz NEIRQDDLBAOLBQ-NRFANRHFSA-N 1 0 340.511 4.046 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)CC2 ZINC000872117757 1054397508 /nfs/dbraw/zinc/39/75/08/1054397508.db2.gz VEMVLARYYPGNMC-GFCCVEGCSA-N 1 0 342.748 4.237 20 10 EICDRO FC(F)(F)c1sccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001203320485 1054402632 /nfs/dbraw/zinc/40/26/32/1054402632.db2.gz MJPFQMJSCAMVBE-UHFFFAOYSA-N 1 0 327.371 4.382 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC001199420144 1054404786 /nfs/dbraw/zinc/40/47/86/1054404786.db2.gz KIEBYVPGBVWRPH-OAQYLSRUSA-N 1 0 339.458 4.018 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001199403661 1054406680 /nfs/dbraw/zinc/40/66/80/1054406680.db2.gz YHOUGEYRNBKHPH-UHFFFAOYSA-N 1 0 348.393 4.144 20 10 EICDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2F)C[C@H](C)O1 ZINC001199413965 1054408405 /nfs/dbraw/zinc/40/84/05/1054408405.db2.gz SISQWURTORHGLT-IYBDPMFKSA-N 1 0 348.506 4.498 20 10 EICDRO CC(C)OCc1ccccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858090198 1054414787 /nfs/dbraw/zinc/41/47/87/1054414787.db2.gz CTOZTIGWQOYRSF-UHFFFAOYSA-N 1 0 348.437 4.246 20 10 EICDRO CN(C)c1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001199514388 1054420609 /nfs/dbraw/zinc/42/06/09/1054420609.db2.gz LMPDMZQYPSKHNG-UHFFFAOYSA-N 1 0 327.447 4.100 20 10 EICDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000858158677 1054426663 /nfs/dbraw/zinc/42/66/63/1054426663.db2.gz OIPXGJBVYNVAPE-NSHDSACASA-N 1 0 340.183 4.221 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2cccc(OC)c2)ccc1OC ZINC001199581550 1054428138 /nfs/dbraw/zinc/42/81/38/1054428138.db2.gz GVNJHWCGFMTBCB-OAHLLOKOSA-N 1 0 329.440 4.091 20 10 EICDRO COc1ccc(O)c(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000775994954 1054434678 /nfs/dbraw/zinc/43/46/78/1054434678.db2.gz OCRLXMUGNXRSRJ-LJQANCHMSA-N 1 0 340.467 4.331 20 10 EICDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCCc2cccnc21 ZINC000775998254 1054435671 /nfs/dbraw/zinc/43/56/71/1054435671.db2.gz UCAZCNSTIVOGBP-QGZVFWFLSA-N 1 0 326.440 4.085 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)COc2cccc(F)c2)cc1C ZINC001199658574 1054440050 /nfs/dbraw/zinc/44/00/50/1054440050.db2.gz QIQZTKVPPXJQJE-INIZCTEOSA-N 1 0 331.431 4.480 20 10 EICDRO Cc1cc(C)n(CC[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000776006220 1054443735 /nfs/dbraw/zinc/44/37/35/1054443735.db2.gz BWMZYFAWXNFOQS-LJQANCHMSA-N 1 0 349.478 4.469 20 10 EICDRO Cc1cc(C)n(CC[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000776006188 1054443754 /nfs/dbraw/zinc/44/37/54/1054443754.db2.gz BWMZYFAWXNFOQS-IBGZPJMESA-N 1 0 349.478 4.469 20 10 EICDRO c1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199751570 1054461669 /nfs/dbraw/zinc/46/16/69/1054461669.db2.gz QYAKLFLFRVRVJG-IFMALSPDSA-N 1 0 337.463 4.269 20 10 EICDRO CCOc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c(O)c1 ZINC000858343184 1054468262 /nfs/dbraw/zinc/46/82/62/1054468262.db2.gz YKXAPUVHTOJKRD-UHFFFAOYSA-N 1 0 333.378 4.238 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC001199812092 1054474927 /nfs/dbraw/zinc/47/49/27/1054474927.db2.gz HGEDUSOKVUFNLA-VQTJNVASSA-N 1 0 346.421 4.041 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1Cn1cccn1 ZINC000873008716 1054477286 /nfs/dbraw/zinc/47/72/86/1054477286.db2.gz BFWBYUUEYYQXFQ-QFIPXVFZSA-N 1 0 347.462 4.181 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1C ZINC000873050352 1054481088 /nfs/dbraw/zinc/48/10/88/1054481088.db2.gz UPBOUURKQKBRPF-UHFFFAOYSA-N 1 0 341.451 4.119 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1C ZINC000873131814 1054490623 /nfs/dbraw/zinc/49/06/23/1054490623.db2.gz WGEDQNXFDQBBGS-PZJWPPBQSA-N 1 0 340.467 4.189 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000858442787 1054490760 /nfs/dbraw/zinc/49/07/60/1054490760.db2.gz MKJDCKAITQAMCQ-UYAOXDASSA-N 1 0 329.440 4.138 20 10 EICDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000858498454 1054504060 /nfs/dbraw/zinc/50/40/60/1054504060.db2.gz PRIDRLBLHIRCSD-ZDUSSCGKSA-N 1 0 346.858 4.188 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858548949 1054515709 /nfs/dbraw/zinc/51/57/09/1054515709.db2.gz XRELNDZBCFCUMR-RCZSKKKRSA-N 1 0 337.463 4.223 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccns1 ZINC000858576202 1054523333 /nfs/dbraw/zinc/52/33/33/1054523333.db2.gz JEBYVVWMNPYOST-IUCAKERBSA-N 1 0 327.247 4.023 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)c1O ZINC000858590620 1054527888 /nfs/dbraw/zinc/52/78/88/1054527888.db2.gz BHIXHFDXJSVEOV-LBPRGKRZSA-N 1 0 339.357 4.356 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000858603112 1054532246 /nfs/dbraw/zinc/53/22/46/1054532246.db2.gz RERSDHQVLAWHPA-LBPRGKRZSA-N 1 0 333.378 4.409 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Oc1ccccc1F ZINC001200912012 1054572156 /nfs/dbraw/zinc/57/21/56/1054572156.db2.gz WTNDEIOLGNPAQW-LJQANCHMSA-N 1 0 342.458 4.373 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1C ZINC001201473652 1054827200 /nfs/dbraw/zinc/82/72/00/1054827200.db2.gz UYMQHWXDOCDUAV-MISYRCLQSA-N 1 0 329.484 4.221 20 10 EICDRO c1ccc2oc(-c3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nc2c1 ZINC001201952722 1054965101 /nfs/dbraw/zinc/96/51/01/1054965101.db2.gz ZTLJCKMKKGDSBP-UHFFFAOYSA-N 1 0 333.435 4.027 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001202058155 1055001525 /nfs/dbraw/zinc/00/15/25/1055001525.db2.gz LGDFHXIWCPBEAX-HKUYNNGSSA-N 1 0 326.459 4.393 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000877031424 1055004396 /nfs/dbraw/zinc/00/43/96/1055004396.db2.gz QYZUYRQHHNOAII-UHFFFAOYSA-N 1 0 341.405 4.177 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)c1cccc(C(F)(F)F)c1 ZINC000877037641 1055006068 /nfs/dbraw/zinc/00/60/68/1055006068.db2.gz UEIDPKKOFOKVPH-MRXNPFEDSA-N 1 0 339.357 4.197 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c(Cl)c1 ZINC001202092814 1055029354 /nfs/dbraw/zinc/02/93/54/1055029354.db2.gz NZPRYROCEOBMAW-UHFFFAOYSA-N 1 0 346.833 4.317 20 10 EICDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000862441517 1055069247 /nfs/dbraw/zinc/06/92/47/1055069247.db2.gz VVKPFXUEJSPYSL-UHFFFAOYSA-N 1 0 347.462 4.191 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)cc1Cn1cccn1 ZINC001202202747 1055083578 /nfs/dbraw/zinc/08/35/78/1055083578.db2.gz GLETYOYGCWCBAZ-LMMKCTJWSA-N 1 0 341.499 4.102 20 10 EICDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001202251792 1055096512 /nfs/dbraw/zinc/09/65/12/1055096512.db2.gz SUROJCPLUSOGHW-HOTGVXAUSA-N 1 0 331.460 4.111 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC2(OC)CCC(C)CC2)cc1F ZINC001202271159 1055107331 /nfs/dbraw/zinc/10/73/31/1055107331.db2.gz RYLHKEQHVPTGAX-UHFFFAOYSA-N 1 0 336.495 4.357 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735890 1055112525 /nfs/dbraw/zinc/11/25/25/1055112525.db2.gz LEDIHNKRAWKLQK-UHFFFAOYSA-N 1 0 347.846 4.076 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c(Cl)c1 ZINC000877757369 1055114570 /nfs/dbraw/zinc/11/45/70/1055114570.db2.gz UHHLGDTZZKKGAH-KGLIPLIRSA-N 1 0 346.858 4.422 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)c(O)c(C(C)(C)C)c1 ZINC000877758111 1055117405 /nfs/dbraw/zinc/11/74/05/1055117405.db2.gz JJNFWIJMWUAYDH-ZDUSSCGKSA-N 1 0 329.440 4.255 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1O ZINC000877783732 1055123597 /nfs/dbraw/zinc/12/35/97/1055123597.db2.gz DZXSUSLJIANKIM-HNNXBMFYSA-N 1 0 343.471 4.017 20 10 EICDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360280 1055166314 /nfs/dbraw/zinc/16/63/14/1055166314.db2.gz ZSXFNIKVSWUMKY-JKSUJKDBSA-N 1 0 328.456 4.145 20 10 EICDRO C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccccc1O ZINC000186368258 1055402446 /nfs/dbraw/zinc/40/24/46/1055402446.db2.gz NVKNANAWOGALGC-QGZVFWFLSA-N 1 0 325.452 4.430 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OC(C)C ZINC000186381515 1055419970 /nfs/dbraw/zinc/41/99/70/1055419970.db2.gz ASVMNQGXJZTGLB-JLTOFOAXSA-N 1 0 347.430 4.357 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC(C)C ZINC000186384475 1055429567 /nfs/dbraw/zinc/42/95/67/1055429567.db2.gz QNZUPYGJMRRZTR-JLTOFOAXSA-N 1 0 347.430 4.357 20 10 EICDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)CCO2)cc1 ZINC001168619696 1055591847 /nfs/dbraw/zinc/59/18/47/1055591847.db2.gz ZTTFKSULPXDWST-WIYYLYMNSA-N 1 0 341.451 4.022 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2O ZINC000765819721 1055634707 /nfs/dbraw/zinc/63/47/07/1055634707.db2.gz WNNGFLAMBKPJJP-VZMUKZCBSA-N 1 0 349.833 4.230 20 10 EICDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cc(Cl)ccc1O ZINC000765821087 1055669001 /nfs/dbraw/zinc/66/90/01/1055669001.db2.gz YSMIPOPTMNRYAE-APPDUMDISA-N 1 0 340.250 4.257 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC1(C)C ZINC000785446394 1055698214 /nfs/dbraw/zinc/69/82/14/1055698214.db2.gz PSAGAWWNQNAOAU-GUYCJALGSA-N 1 0 338.442 4.281 20 10 EICDRO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CCOCC2)cc1 ZINC000921747309 1056403439 /nfs/dbraw/zinc/40/34/39/1056403439.db2.gz MXWWPRRKGWRKDD-JOCHJYFZSA-N 1 0 337.463 4.269 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186465207 1056520749 /nfs/dbraw/zinc/52/07/49/1056520749.db2.gz CMZUUJGAOYNXJJ-UHFFFAOYSA-N 1 0 329.415 4.008 20 10 EICDRO C[N@H+](CCCC1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000765933859 1056605160 /nfs/dbraw/zinc/60/51/60/1056605160.db2.gz ULAVYCHMJUQACF-UHFFFAOYSA-N 1 0 330.516 4.316 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H](C)c2cccc(C)c2)ccc1OC ZINC000741257111 1058186081 /nfs/dbraw/zinc/18/60/81/1058186081.db2.gz SBZDAWNQYIYMSL-KRWDZBQOSA-N 1 0 327.468 4.433 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000741753785 1058363175 /nfs/dbraw/zinc/36/31/75/1058363175.db2.gz BGECUYRTFKLRPD-UHFFFAOYSA-N 1 0 337.261 4.130 20 10 EICDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccc(Cl)cc1 ZINC000742388770 1058586460 /nfs/dbraw/zinc/58/64/60/1058586460.db2.gz SBSUZXCBTWAZTK-NSHDSACASA-N 1 0 326.223 4.256 20 10 EICDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccccc1Cl ZINC000742379007 1058604652 /nfs/dbraw/zinc/60/46/52/1058604652.db2.gz HWQLNNJYWIFLRW-NSHDSACASA-N 1 0 326.223 4.256 20 10 EICDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743271594 1058913262 /nfs/dbraw/zinc/91/32/62/1058913262.db2.gz DZJMCVZTHCQUKE-UHFFFAOYSA-N 1 0 338.495 4.324 20 10 EICDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000743395463 1058975591 /nfs/dbraw/zinc/97/55/91/1058975591.db2.gz SFARAKQLKAYTOB-MRXNPFEDSA-N 1 0 338.451 4.208 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn3ccccc3n2)c(C)n1-c1ccccc1 ZINC000743699761 1059089759 /nfs/dbraw/zinc/08/97/59/1059089759.db2.gz TVRKYSUNWIJHMM-UHFFFAOYSA-N 1 0 330.435 4.032 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869876 1059189487 /nfs/dbraw/zinc/18/94/87/1059189487.db2.gz DFZHTXNAFHSEAB-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640268 1059705835 /nfs/dbraw/zinc/70/58/35/1059705835.db2.gz BNPDNRQLUQFZLV-JKSUJKDBSA-N 1 0 330.447 4.093 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000379641499 1059710160 /nfs/dbraw/zinc/71/01/60/1059710160.db2.gz DABPEDHBYNHZSV-AHRSYUTCSA-N 1 0 336.479 4.022 20 10 EICDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766368491 1060315639 /nfs/dbraw/zinc/31/56/39/1060315639.db2.gz IAHPAMRUHDFABH-QGZVFWFLSA-N 1 0 348.506 4.409 20 10 EICDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000766438219 1060357263 /nfs/dbraw/zinc/35/72/63/1060357263.db2.gz RHTRCPZYYMKEDP-WMQCIHAUSA-N 1 0 330.516 4.269 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000766466479 1060371431 /nfs/dbraw/zinc/37/14/31/1060371431.db2.gz NGGIUDJVUIMGNL-UHFFFAOYSA-N 1 0 337.394 4.400 20 10 EICDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000766480865 1060385980 /nfs/dbraw/zinc/38/59/80/1060385980.db2.gz WFNRXNDQMVWVNX-FVWXCPNNSA-N 1 0 334.479 4.160 20 10 EICDRO C[C@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000766561063 1060568640 /nfs/dbraw/zinc/56/86/40/1060568640.db2.gz QUKBOBANKHTWTF-SFHVURJKSA-N 1 0 348.494 4.043 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(N2CCCCC2)c(F)c1 ZINC000766601162 1060650864 /nfs/dbraw/zinc/65/08/64/1060650864.db2.gz PKRKWKUSUGBXEX-ICSUOEFDSA-N 1 0 346.490 4.424 20 10 EICDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1N(C)C ZINC001169872571 1061015412 /nfs/dbraw/zinc/01/54/12/1061015412.db2.gz MBIMTQDSAJLLFA-SAIGTISXSA-N 1 0 344.543 4.213 20 10 EICDRO CCc1cccc(C[NH2+]Cc2ccsc2Br)c1O ZINC000691434272 1061125310 /nfs/dbraw/zinc/12/53/10/1061125310.db2.gz MADOUNCOAOEAMV-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)ccc(F)c2Cl)c1 ZINC000529568545 1032461087 /nfs/dbraw/zinc/46/10/87/1032461087.db2.gz BHRHZVZZXOWHIY-SECBINFHSA-N 1 0 327.758 4.183 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](c2cccc(C)c2)C(C)C)cc1OC ZINC000529670683 1032522635 /nfs/dbraw/zinc/52/26/35/1032522635.db2.gz WJGUYSULGOSLNZ-FQEVSTJZSA-N 1 0 329.440 4.205 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CCCO1 ZINC000160183831 1018805051 /nfs/dbraw/zinc/80/50/51/1018805051.db2.gz DKAFJJIPUOVKKK-HXUWFJFHSA-N 1 0 348.446 4.122 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000279921408 1032796428 /nfs/dbraw/zinc/79/64/28/1032796428.db2.gz AGCNYIAKIHPZPJ-IFXJQAMLSA-N 1 0 326.440 4.461 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1O ZINC000155169892 1020309553 /nfs/dbraw/zinc/30/95/53/1020309553.db2.gz LTGMBRORHUFCMT-XJKSGUPXSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)c1ccccc1O ZINC000155194963 1020336597 /nfs/dbraw/zinc/33/65/97/1020336597.db2.gz YCYYUSJREFYLOG-HNAYVOBHSA-N 1 0 340.467 4.161 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000155334624 1020500372 /nfs/dbraw/zinc/50/03/72/1020500372.db2.gz CJUBYAATFYJYQA-BEFAXECRSA-N 1 0 338.451 4.321 20 10 EICDRO Cc1nccn1CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000725850266 1021979413 /nfs/dbraw/zinc/97/94/13/1021979413.db2.gz VVBQIEIXZBAKPH-UHFFFAOYSA-N 1 0 343.515 4.282 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000398045539 1022043935 /nfs/dbraw/zinc/04/39/35/1022043935.db2.gz VMJJDFCJCRLBAU-SIKLNZKXSA-N 1 0 349.522 4.039 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c(O)c1OC ZINC000892560425 1022178463 /nfs/dbraw/zinc/17/84/63/1022178463.db2.gz HBTZYHWGPCJBEP-IBGZPJMESA-N 1 0 329.440 4.286 20 10 EICDRO Cc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccc1N(C)C ZINC001167417913 1022193572 /nfs/dbraw/zinc/19/35/72/1022193572.db2.gz ZXGQRFRRURYLIZ-FQEVSTJZSA-N 1 0 326.509 4.351 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310799507 1022284621 /nfs/dbraw/zinc/28/46/21/1022284621.db2.gz GKCCAZLLRIWOCX-QFUCXCTJSA-N 1 0 338.495 4.344 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1O ZINC000312097733 1022635614 /nfs/dbraw/zinc/63/56/14/1022635614.db2.gz SGVDHWIKJPKXDG-ZYHUDNBSSA-N 1 0 334.204 4.383 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1c(C)noc1C ZINC000378408304 1022805647 /nfs/dbraw/zinc/80/56/47/1022805647.db2.gz ZLNLMQYMSDIXOJ-LJQANCHMSA-N 1 0 343.471 4.010 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718568 1022805913 /nfs/dbraw/zinc/80/59/13/1022805913.db2.gz XVORDIGIMNCLRR-IFXJQAMLSA-N 1 0 328.431 4.456 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)c(O)c1OC ZINC000893237712 1022821274 /nfs/dbraw/zinc/82/12/74/1022821274.db2.gz KNSGSYMDRGPSHU-GOSISDBHSA-N 1 0 345.414 4.098 20 10 EICDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163599666 1022855389 /nfs/dbraw/zinc/85/53/89/1022855389.db2.gz CMRFXQPMGXUCPU-HRAATJIYSA-N 1 0 338.520 4.263 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160792683 1022866524 /nfs/dbraw/zinc/86/65/24/1022866524.db2.gz UVCDIKMZUJDNOM-RTWAWAEBSA-N 1 0 326.484 4.307 20 10 EICDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706831893 1022885821 /nfs/dbraw/zinc/88/58/21/1022885821.db2.gz TXKIVNWCKJGTBV-UHFFFAOYSA-N 1 0 336.220 4.316 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000311162371 1022956259 /nfs/dbraw/zinc/95/62/59/1022956259.db2.gz PWLAYTLQFSMNQQ-XHSDSOJGSA-N 1 0 348.487 4.045 20 10 EICDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc2ccccc2c1O ZINC000184969761 1022980286 /nfs/dbraw/zinc/98/02/86/1022980286.db2.gz BZDNJOHIPHZOSI-HNNXBMFYSA-N 1 0 331.419 4.086 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1O ZINC000156147642 1023026414 /nfs/dbraw/zinc/02/64/14/1023026414.db2.gz ASBMMBVVWWRONR-GOSISDBHSA-N 1 0 335.451 4.247 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382449423 1023170964 /nfs/dbraw/zinc/17/09/64/1023170964.db2.gz CXXLAVLLNDXWPP-XHSDSOJGSA-N 1 0 348.487 4.045 20 10 EICDRO Cc1ccc(C[N@@H+]2CCc3ccc(Br)cc3C2)c(O)c1 ZINC001140950936 1023367600 /nfs/dbraw/zinc/36/76/00/1023367600.db2.gz PTMUTFNQVBXUMK-UHFFFAOYSA-N 1 0 332.241 4.021 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1O ZINC000834913174 1023412650 /nfs/dbraw/zinc/41/26/50/1023412650.db2.gz ZMRUMLGHWGJLIE-NWDGAFQWSA-N 1 0 342.277 4.011 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)c(O)c1 ZINC000756570421 1023613603 /nfs/dbraw/zinc/61/36/03/1023613603.db2.gz BPEDXFIZQSILKC-DLBZAZTESA-N 1 0 326.484 4.481 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnccc1C)c1cc(Br)ccc1O ZINC000162622085 1023624069 /nfs/dbraw/zinc/62/40/69/1023624069.db2.gz UBFXIJTZQONEKG-OAHLLOKOSA-N 1 0 335.245 4.099 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Br)ccc1O ZINC000020127691 1023736732 /nfs/dbraw/zinc/73/67/32/1023736732.db2.gz WXKMKJBXRNXUFK-XHDPSFHLSA-N 1 0 335.245 4.352 20 10 EICDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860067 1023746876 /nfs/dbraw/zinc/74/68/76/1023746876.db2.gz XGTXNMYWYRRYQG-SFHVURJKSA-N 1 0 337.822 4.130 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000248493971 1024081930 /nfs/dbraw/zinc/08/19/30/1024081930.db2.gz KGPHZTMYYJQCJB-RZQQEMMASA-N 1 0 344.524 4.496 20 10 EICDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)c2ccccc2)n1 ZINC000277017316 1024998538 /nfs/dbraw/zinc/99/85/38/1024998538.db2.gz CVBLZQJPZZVHMR-KSSFIOAISA-N 1 0 337.423 4.027 20 10 EICDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)c2ccccc2)n1 ZINC000277217791 1025343617 /nfs/dbraw/zinc/34/36/17/1025343617.db2.gz XKOUBDSEIVDFCQ-KSSFIOAISA-N 1 0 337.423 4.027 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000122153798 1025354791 /nfs/dbraw/zinc/35/47/91/1025354791.db2.gz JWOUKWMEVWXUST-OAHLLOKOSA-N 1 0 335.856 4.381 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2OC)cc1 ZINC000165949516 1025455118 /nfs/dbraw/zinc/45/51/18/1025455118.db2.gz QTEKVALGSSXEEF-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000168553668 1026191314 /nfs/dbraw/zinc/19/13/14/1026191314.db2.gz KCXUGLTVKHVGMC-KGLIPLIRSA-N 1 0 346.446 4.321 20 10 EICDRO COCCCC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC000894603155 1026243801 /nfs/dbraw/zinc/24/38/01/1026243801.db2.gz UAHKEBSMTRGDKW-LJQANCHMSA-N 1 0 343.467 4.357 20 10 EICDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC001167982299 1026390142 /nfs/dbraw/zinc/39/01/42/1026390142.db2.gz BTSCTQMMLGSOLC-LJQANCHMSA-N 1 0 342.483 4.250 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1C ZINC000279617083 1026548911 /nfs/dbraw/zinc/54/89/11/1026548911.db2.gz AIUJOWNGFBBKAT-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000158817345 1026679914 /nfs/dbraw/zinc/67/99/14/1026679914.db2.gz XGNOEZQHRXGVOC-IRXDYDNUSA-N 1 0 349.482 4.135 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Br)cc2)c1 ZINC000049514850 1026725539 /nfs/dbraw/zinc/72/55/39/1026725539.db2.gz AGESMMQEIIUQPA-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c1 ZINC000113326863 1026782829 /nfs/dbraw/zinc/78/28/29/1026782829.db2.gz YUWQXUBWAZQYLB-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCC[C@@H](C)C3)CC2)cc1F ZINC001168069355 1027540468 /nfs/dbraw/zinc/54/04/68/1027540468.db2.gz VETHRVHSLJAHFX-SJORKVTESA-N 1 0 334.479 4.173 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000305102797 1027776377 /nfs/dbraw/zinc/77/63/77/1027776377.db2.gz BXXOLTHPCSTUJT-INIZCTEOSA-N 1 0 342.458 4.159 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000840930239 1027779653 /nfs/dbraw/zinc/77/96/53/1027779653.db2.gz HYUANGOOPPMFCY-RBBKRZOGSA-N 1 0 338.495 4.319 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(Cl)nc1 ZINC000179108004 1027790809 /nfs/dbraw/zinc/79/08/09/1027790809.db2.gz APJXIQRBBSFLNA-CQSZACIVSA-N 1 0 347.915 4.139 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001167646576 1027827615 /nfs/dbraw/zinc/82/76/15/1027827615.db2.gz FILFNAZGDGJDLP-GOSISDBHSA-N 1 0 346.515 4.087 20 10 EICDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000281164385 1028425434 /nfs/dbraw/zinc/42/54/34/1028425434.db2.gz HJLUKSUQTJBDDY-FQEVSTJZSA-N 1 0 340.442 4.212 20 10 EICDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000281164389 1028426137 /nfs/dbraw/zinc/42/61/37/1028426137.db2.gz HJLUKSUQTJBDDY-HXUWFJFHSA-N 1 0 340.442 4.212 20 10 EICDRO Fc1cncc([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)c1 ZINC000281305427 1028500265 /nfs/dbraw/zinc/50/02/65/1028500265.db2.gz RNZHTAWUORFRED-FQEVSTJZSA-N 1 0 325.431 4.062 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290067 1028508050 /nfs/dbraw/zinc/50/80/50/1028508050.db2.gz YAIVSKRAVCCCOE-VXGBXAGGSA-N 1 0 335.245 4.270 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cnc(-c4ccco4)s3)ccc21 ZINC000193070188 1028520777 /nfs/dbraw/zinc/52/07/77/1028520777.db2.gz QSGOECYRNIPSQC-UHFFFAOYSA-N 1 0 339.464 4.075 20 10 EICDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000155806800 1028528921 /nfs/dbraw/zinc/52/89/21/1028528921.db2.gz IWBGLYPHCBGWHI-OAHLLOKOSA-N 1 0 325.437 4.152 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1O ZINC000156966439 1028882004 /nfs/dbraw/zinc/88/20/04/1028882004.db2.gz DOJVKZDSPJGGHU-PBHICJAKSA-N 1 0 337.423 4.287 20 10 EICDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000281839526 1028885319 /nfs/dbraw/zinc/88/53/19/1028885319.db2.gz ANUWOJRSWLBCDI-ZDUSSCGKSA-N 1 0 346.906 4.206 20 10 EICDRO COC1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840791716 1029328367 /nfs/dbraw/zinc/32/83/67/1029328367.db2.gz CJQATEMVJWMAAF-XGNXJENSSA-N 1 0 342.277 4.071 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000475189841 1029357996 /nfs/dbraw/zinc/35/79/96/1029357996.db2.gz ICVMFMDZRTZDPX-MRXNPFEDSA-N 1 0 349.478 4.302 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000475205079 1029422659 /nfs/dbraw/zinc/42/26/59/1029422659.db2.gz UMDUBFRUYQJXPG-MRXNPFEDSA-N 1 0 349.478 4.018 20 10 EICDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O)C1CC1 ZINC000840859104 1029628554 /nfs/dbraw/zinc/62/85/54/1029628554.db2.gz GLNCIXWWGAQREG-UVWXRNBGSA-N 1 0 342.277 4.009 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1C ZINC000089802542 1029853859 /nfs/dbraw/zinc/85/38/59/1029853859.db2.gz ZPMGCHQSQXBDGY-UHFFFAOYSA-N 1 0 347.405 4.077 20 10 EICDRO CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1O ZINC000796683155 1030738043 /nfs/dbraw/zinc/73/80/43/1030738043.db2.gz NEBUTOSJKXJSOK-IEBWSBKVSA-N 1 0 339.414 4.095 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000527926429 1030926688 /nfs/dbraw/zinc/92/66/88/1030926688.db2.gz KYFPNXUHQYHGBT-IUODEOHRSA-N 1 0 342.277 4.012 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C2CC2)cn1 ZINC000528042631 1031056144 /nfs/dbraw/zinc/05/61/44/1031056144.db2.gz GDCVFNYAGCOAGO-VOJFVSQTSA-N 1 0 332.831 4.251 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c(O)c1OC ZINC000892467725 1031156895 /nfs/dbraw/zinc/15/68/95/1031156895.db2.gz LFKVJQOXKDUHOR-QGZVFWFLSA-N 1 0 333.403 4.035 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1O ZINC000179683115 1031271995 /nfs/dbraw/zinc/27/19/95/1031271995.db2.gz XNEKPNXNZQPTCJ-ZDUSSCGKSA-N 1 0 345.414 4.372 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179800450 1031299741 /nfs/dbraw/zinc/29/97/41/1031299741.db2.gz VPSNPXHFVWASPY-UHFFFAOYSA-N 1 0 331.843 4.227 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000359975286 1031902363 /nfs/dbraw/zinc/90/23/63/1031902363.db2.gz QPTBEQNGHPLEED-BTYIYWSLSA-N 1 0 334.419 4.236 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000236966072 1033731758 /nfs/dbraw/zinc/73/17/58/1033731758.db2.gz CIXDDWJUDIKNTM-OAQYLSRUSA-N 1 0 338.495 4.229 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1O ZINC000894178900 1034632173 /nfs/dbraw/zinc/63/21/73/1034632173.db2.gz KIKXRCYRWRZDRZ-GFCCVEGCSA-N 1 0 337.366 4.161 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C)cc1O ZINC000280182448 1035197308 /nfs/dbraw/zinc/19/73/08/1035197308.db2.gz RSAAXFFEYRIBBL-HXUWFJFHSA-N 1 0 335.451 4.186 20 10 EICDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000163634271 1035594171 /nfs/dbraw/zinc/59/41/71/1035594171.db2.gz KWVUWJYRTBNSSO-KRWDZBQOSA-N 1 0 326.509 4.399 20 10 EICDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000163634137 1035594252 /nfs/dbraw/zinc/59/42/52/1035594252.db2.gz KWVUWJYRTBNSSO-QGZVFWFLSA-N 1 0 326.509 4.399 20 10 EICDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000227437125 1035798613 /nfs/dbraw/zinc/79/86/13/1035798613.db2.gz AHROBDHKXQFPOX-UHFFFAOYSA-N 1 0 334.257 4.222 20 10 EICDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000698162959 1035897335 /nfs/dbraw/zinc/89/73/35/1035897335.db2.gz LHXYXFQYUICFMT-MRXNPFEDSA-N 1 0 348.487 4.054 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC000761200500 1036031138 /nfs/dbraw/zinc/03/11/38/1036031138.db2.gz UTYHZLKMLVGLTI-GFCCVEGCSA-N 1 0 335.806 4.183 20 10 EICDRO CCOC1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000060445392 1036102658 /nfs/dbraw/zinc/10/26/58/1036102658.db2.gz GQRLRBPFZQTGTB-UHFFFAOYSA-N 1 0 329.440 4.018 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1O ZINC000229549574 1037239666 /nfs/dbraw/zinc/23/96/66/1037239666.db2.gz VHSXSJVKUNFJEL-ZDUSSCGKSA-N 1 0 340.286 4.500 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273382162 1037444233 /nfs/dbraw/zinc/44/42/33/1037444233.db2.gz IMVLLRNWCZVJDB-LSDHHAIUSA-N 1 0 329.440 4.438 20 10 EICDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)CCO1 ZINC000273447919 1037467910 /nfs/dbraw/zinc/46/79/10/1037467910.db2.gz FOMVTVQHQJFZLU-GHJWDPDVSA-N 1 0 342.277 4.009 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000273457726 1037470559 /nfs/dbraw/zinc/47/05/59/1037470559.db2.gz GZZXIAXFSIMJHB-ICSRJNTNSA-N 1 0 329.415 4.153 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000157362278 1037472504 /nfs/dbraw/zinc/47/25/04/1037472504.db2.gz PWHYZGUHYWLLIV-ZWKOTPCHSA-N 1 0 338.495 4.446 20 10 EICDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc2ccccc2c1O ZINC000760895658 1037606539 /nfs/dbraw/zinc/60/65/39/1037606539.db2.gz AOEAGRWQPMPOCP-CQSZACIVSA-N 1 0 331.419 4.283 20 10 EICDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)c1 ZINC000016873916 1037767187 /nfs/dbraw/zinc/76/71/87/1037767187.db2.gz KITDFJPYVORJBF-IBGZPJMESA-N 1 0 341.451 4.363 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)cc(F)c1 ZINC000163611332 1037771127 /nfs/dbraw/zinc/77/11/27/1037771127.db2.gz PRJGXRAPVQKQKM-AWEZNQCLSA-N 1 0 348.462 4.369 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2nc3ccccc3s2)c1O ZINC000894275992 1037826870 /nfs/dbraw/zinc/82/68/70/1037826870.db2.gz GNVOAWVTKVJATO-LBPRGKRZSA-N 1 0 328.437 4.170 20 10 EICDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)oc1C ZINC000800477443 1038240529 /nfs/dbraw/zinc/24/05/29/1038240529.db2.gz VFRCWQIJPJQUAQ-HNNXBMFYSA-N 1 0 330.497 4.300 20 10 EICDRO Oc1ccc2cc(Br)ccc2c1C[NH+]1C2CCC1CC2 ZINC000912786728 1038295864 /nfs/dbraw/zinc/29/58/64/1038295864.db2.gz QEIGSKHGFQKVDJ-UHFFFAOYSA-N 1 0 332.241 4.435 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160724533 1040691120 /nfs/dbraw/zinc/69/11/20/1040691120.db2.gz GRGAHJUBEWVEPI-UWJYYQICSA-N 1 0 326.484 4.307 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000029892571 1042430846 /nfs/dbraw/zinc/43/08/46/1042430846.db2.gz GXMIQMWTNBGHQF-QFIPXVFZSA-N 1 0 349.430 4.128 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000151940600 1042551637 /nfs/dbraw/zinc/55/16/37/1042551637.db2.gz JLNOPKPWHTWCFT-HZPDHXFCSA-N 1 0 330.497 4.305 20 10 EICDRO Cc1cc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000152102760 1042652732 /nfs/dbraw/zinc/65/27/32/1042652732.db2.gz JPCGCHYDLJRUES-UHFFFAOYSA-N 1 0 327.472 4.032 20 10 EICDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000760038482 1042866167 /nfs/dbraw/zinc/86/61/67/1042866167.db2.gz BJCDUVNYFXFYMN-KSSFIOAISA-N 1 0 334.891 4.160 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000760038483 1042866362 /nfs/dbraw/zinc/86/63/62/1042866362.db2.gz BJCDUVNYFXFYMN-RDTXWAMCSA-N 1 0 334.891 4.160 20 10 EICDRO COc1cccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1O ZINC000727470981 1043228837 /nfs/dbraw/zinc/22/88/37/1043228837.db2.gz VKDABTLYYXKAPE-UHFFFAOYSA-N 1 0 338.234 4.487 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCC[C@H]1C ZINC000727643655 1043255044 /nfs/dbraw/zinc/25/50/44/1043255044.db2.gz BCZZHMPJYMETDS-RTBURBONSA-N 1 0 329.532 4.029 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(C(C)=O)ccc1OCC ZINC000727831314 1043311101 /nfs/dbraw/zinc/31/11/01/1043311101.db2.gz VQLRIPVELQWMIK-UHFFFAOYSA-N 1 0 341.451 4.406 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2O)c(OC)c1 ZINC000732487102 1043925079 /nfs/dbraw/zinc/92/50/79/1043925079.db2.gz HUOYENOTGILZOE-IBGZPJMESA-N 1 0 341.451 4.363 20 10 EICDRO C[C@H](OCCC[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733322314 1044183549 /nfs/dbraw/zinc/18/35/49/1044183549.db2.gz GXBKURXORSWWLA-INIZCTEOSA-N 1 0 330.447 4.149 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1F ZINC000733323005 1044184668 /nfs/dbraw/zinc/18/46/68/1044184668.db2.gz IVJPQOCUABPYCQ-UHFFFAOYSA-N 1 0 325.431 4.026 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000733328514 1044195278 /nfs/dbraw/zinc/19/52/78/1044195278.db2.gz YEQSGYJTZKUHQH-JOCHJYFZSA-N 1 0 338.495 4.229 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000733334578 1044199352 /nfs/dbraw/zinc/19/93/52/1044199352.db2.gz MJDIAHFDQDCQEN-LJQANCHMSA-N 1 0 344.886 4.108 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000765976363 1044205714 /nfs/dbraw/zinc/20/57/14/1044205714.db2.gz NZYAVRJCEMRMMQ-GUYCJALGSA-N 1 0 338.455 4.136 20 10 EICDRO c1ccc2c(c1)CCC[C@H]2OCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000733798664 1044316898 /nfs/dbraw/zinc/31/68/98/1044316898.db2.gz YOICFYRWNHLPTF-JOCHJYFZSA-N 1 0 337.463 4.195 20 10 EICDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000766144112 1044352917 /nfs/dbraw/zinc/35/29/17/1044352917.db2.gz VGSMOBMJFBLUHY-FXAWDEMLSA-N 1 0 342.483 4.353 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000766191445 1044392043 /nfs/dbraw/zinc/39/20/43/1044392043.db2.gz JUAOAHLYKOTMIH-ZHALLVOQSA-N 1 0 328.500 4.222 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000766191443 1044393239 /nfs/dbraw/zinc/39/32/39/1044393239.db2.gz JUAOAHLYKOTMIH-JENIJYKNSA-N 1 0 328.500 4.222 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1C ZINC000734004504 1044453991 /nfs/dbraw/zinc/45/39/91/1044453991.db2.gz LPWIOQMFCRGJKA-CYBMUJFWSA-N 1 0 333.403 4.011 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1coc2ccccc12 ZINC000734003991 1044454339 /nfs/dbraw/zinc/45/43/39/1044454339.db2.gz GBWLBDDUEXLYST-UHFFFAOYSA-N 1 0 332.197 4.191 20 10 EICDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000735485392 1044825682 /nfs/dbraw/zinc/82/56/82/1044825682.db2.gz PAIPKKCXTGANHU-OAQYLSRUSA-N 1 0 336.479 4.284 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](CC)c2cc(F)ccc2OC)c1O ZINC000922620320 1044847765 /nfs/dbraw/zinc/84/77/65/1044847765.db2.gz QVJVESCHCDAFDH-INIZCTEOSA-N 1 0 333.403 4.180 20 10 EICDRO Cc1cnc(CC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000093773480 1044852904 /nfs/dbraw/zinc/85/29/04/1044852904.db2.gz HIKCCANPTJOQBL-UHFFFAOYSA-N 1 0 329.513 4.116 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)c(C(F)(F)F)c1 ZINC000922883357 1045022626 /nfs/dbraw/zinc/02/26/26/1045022626.db2.gz IFAOCHXHEYRNCT-KRWDZBQOSA-N 1 0 349.400 4.334 20 10 EICDRO C[C@@H](C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C[C@H](C)O ZINC000740898138 1045241581 /nfs/dbraw/zinc/24/15/81/1045241581.db2.gz FCYFPYACEUVETQ-CABCVRRESA-N 1 0 335.532 4.484 20 10 EICDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000153598452 1045316378 /nfs/dbraw/zinc/31/63/78/1045316378.db2.gz PCWSHUOYIQVYFU-SFHVURJKSA-N 1 0 338.495 4.152 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(C)(C)O ZINC000790700966 1045561640 /nfs/dbraw/zinc/56/16/40/1045561640.db2.gz IAFXHTDWDJYIDZ-KXBFYZLASA-N 1 0 336.495 4.262 20 10 EICDRO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)ccc1O)Cc1ccccc1 ZINC000790726722 1045571051 /nfs/dbraw/zinc/57/10/51/1045571051.db2.gz JFKLEXUTCRXBGW-BXTJHSDWSA-N 1 0 347.886 4.326 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccsc3Cl)CC2)cc1 ZINC000790954904 1045635340 /nfs/dbraw/zinc/63/53/40/1045635340.db2.gz BLWPMCCLZUMYCX-UHFFFAOYSA-N 1 0 336.888 4.169 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)ccc1OC ZINC000790995094 1045649325 /nfs/dbraw/zinc/64/93/25/1045649325.db2.gz LCMXFMWPJSWBLM-LJQANCHMSA-N 1 0 347.499 4.203 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000767890913 1045663083 /nfs/dbraw/zinc/66/30/83/1045663083.db2.gz MPTCNLKNUVUPIU-UHFFFAOYSA-N 1 0 336.435 4.154 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1C1CC1 ZINC000768207326 1045743661 /nfs/dbraw/zinc/74/36/61/1045743661.db2.gz CRMHNZGWSKLDBX-UHFFFAOYSA-N 1 0 336.479 4.033 20 10 EICDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000768269499 1045772396 /nfs/dbraw/zinc/77/23/96/1045772396.db2.gz UESLIIDCTWNGHK-LJQANCHMSA-N 1 0 338.495 4.333 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C)c3c1c(O)ccc3F)CCO2 ZINC000768288161 1045779098 /nfs/dbraw/zinc/77/90/98/1045779098.db2.gz XKNFSMCVXLLGBZ-UVBJJODRSA-N 1 0 343.398 4.202 20 10 EICDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCc2ccccc21 ZINC000768445077 1045807093 /nfs/dbraw/zinc/80/70/93/1045807093.db2.gz PZFBGPFCIILMQT-SFHVURJKSA-N 1 0 341.451 4.309 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000768447071 1045809098 /nfs/dbraw/zinc/80/90/98/1045809098.db2.gz MBFZSFGZMQDNCA-MRXNPFEDSA-N 1 0 349.377 4.025 20 10 EICDRO COc1cccc(C2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)c1 ZINC000768446579 1045809157 /nfs/dbraw/zinc/80/91/57/1045809157.db2.gz ZBECDVUHOUJCPN-UHFFFAOYSA-N 1 0 341.451 4.097 20 10 EICDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1ccccc1OC ZINC000768479537 1045809403 /nfs/dbraw/zinc/80/94/03/1045809403.db2.gz RZZHHOSCZYQFLK-CQSZACIVSA-N 1 0 343.423 4.103 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464835 1045810412 /nfs/dbraw/zinc/81/04/12/1045810412.db2.gz BCLSYIHIOJFAIW-SUMWQHHRSA-N 1 0 345.414 4.132 20 10 EICDRO Cc1cc(Cl)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768504000 1045812428 /nfs/dbraw/zinc/81/24/28/1045812428.db2.gz AZMVWTJIHOJMOD-UHFFFAOYSA-N 1 0 344.886 4.117 20 10 EICDRO CCOc1cccc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)c1O ZINC000768520133 1045819516 /nfs/dbraw/zinc/81/95/16/1045819516.db2.gz ZGABCXNRNAGXQA-OAHLLOKOSA-N 1 0 329.440 4.383 20 10 EICDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000768545153 1045822422 /nfs/dbraw/zinc/82/24/22/1045822422.db2.gz TYLBZJGJMGAZHI-SNVBAGLBSA-N 1 0 330.266 4.030 20 10 EICDRO CCCOc1c(C[N@H+](C)Cc2ccccc2O)cccc1OCC ZINC000768872140 1045849260 /nfs/dbraw/zinc/84/92/60/1045849260.db2.gz DSGPJWCGRMANKG-UHFFFAOYSA-N 1 0 329.440 4.212 20 10 EICDRO CN(Cc1ccc(Br)o1)Cc1c([O-])ccc(Cl)c1F ZINC000792163363 1045869957 /nfs/dbraw/zinc/86/99/57/1045869957.db2.gz XFLDLHKJAKQRMI-UHFFFAOYSA-N 1 0 348.599 4.172 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000769021420 1045870576 /nfs/dbraw/zinc/87/05/76/1045870576.db2.gz INPQRYCLKSPYNH-UHFFFAOYSA-N 1 0 341.451 4.061 20 10 EICDRO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000768999156 1045874703 /nfs/dbraw/zinc/87/47/03/1045874703.db2.gz UJXMZPUCQNPPOD-UGKGYDQZSA-N 1 0 336.479 4.011 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769004637 1045875311 /nfs/dbraw/zinc/87/53/11/1045875311.db2.gz QYQXJKSJEREVGG-UHFFFAOYSA-N 1 0 333.435 4.162 20 10 EICDRO COc1cccc(O)c1C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792193084 1045875749 /nfs/dbraw/zinc/87/57/49/1045875749.db2.gz QENKDHPADKATPF-UHFFFAOYSA-N 1 0 339.357 4.355 20 10 EICDRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000792285877 1045884448 /nfs/dbraw/zinc/88/44/48/1045884448.db2.gz KLVGLMOEXFOIPH-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO COc1cc([C@@H](C)[NH2+]CCCSc2nccs2)ccc1F ZINC000153874473 1045940521 /nfs/dbraw/zinc/94/05/21/1045940521.db2.gz HEXLHKSGONLQOX-LLVKDONJSA-N 1 0 326.462 4.124 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(O)c1 ZINC000769426894 1045959863 /nfs/dbraw/zinc/95/98/63/1045959863.db2.gz JZOHHESKESAJLY-IBGZPJMESA-N 1 0 329.465 4.081 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000252061023 1045976108 /nfs/dbraw/zinc/97/61/08/1045976108.db2.gz ZWTMCTMXIWRTRC-LBLLVPRASA-N 1 0 332.463 4.034 20 10 EICDRO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(O)c1 ZINC000769476118 1045992056 /nfs/dbraw/zinc/99/20/56/1045992056.db2.gz WHWBONVTIAZHLC-KKSFZXQISA-N 1 0 341.451 4.061 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000769474911 1045992166 /nfs/dbraw/zinc/99/21/66/1045992166.db2.gz SZAPBCADSGPMPO-IIBYNOLFSA-N 1 0 341.451 4.061 20 10 EICDRO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000769499927 1045997541 /nfs/dbraw/zinc/99/75/41/1045997541.db2.gz XTYKGXTYRPOKEI-UKRRQHHQSA-N 1 0 342.302 4.015 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000769539417 1046012140 /nfs/dbraw/zinc/01/21/40/1046012140.db2.gz JIRJRPNWRUGMOV-UHFFFAOYSA-N 1 0 330.516 4.316 20 10 EICDRO COc1cc(F)cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000769693009 1046045719 /nfs/dbraw/zinc/04/57/19/1046045719.db2.gz XVGYVLPQWNQLQO-UHFFFAOYSA-N 1 0 337.394 4.497 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000154043708 1046075989 /nfs/dbraw/zinc/07/59/89/1046075989.db2.gz AJFKQJFKEUXEOB-SJORKVTESA-N 1 0 334.467 4.350 20 10 EICDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000769852556 1046092799 /nfs/dbraw/zinc/09/27/99/1046092799.db2.gz ICTQWXBCCHTSNR-UHFFFAOYSA-N 1 0 342.483 4.093 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2nn(CC)c3ccccc23)cc1 ZINC000769911004 1046094430 /nfs/dbraw/zinc/09/44/30/1046094430.db2.gz WIOXFNZUICROQH-UHFFFAOYSA-N 1 0 336.483 4.192 20 10 EICDRO CN(C)c1ccc(C[NH2+]CC2CCSCC2)c(C(F)(F)F)c1 ZINC000792975286 1046114969 /nfs/dbraw/zinc/11/49/69/1046114969.db2.gz GEGBMYGXANDLNU-UHFFFAOYSA-N 1 0 332.435 4.004 20 10 EICDRO CCc1cccc(F)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000792950005 1046115937 /nfs/dbraw/zinc/11/59/37/1046115937.db2.gz FTRRIZOHVRVLHQ-UHFFFAOYSA-N 1 0 342.458 4.155 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000763396107 1046132068 /nfs/dbraw/zinc/13/20/68/1046132068.db2.gz CWOVYWZHXJTBCQ-TYCQWZJGSA-N 1 0 326.484 4.306 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000793025462 1046132964 /nfs/dbraw/zinc/13/29/64/1046132964.db2.gz DOQAYXNUNCIUMK-SFHVURJKSA-N 1 0 349.400 4.407 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293934 1046172880 /nfs/dbraw/zinc/17/28/80/1046172880.db2.gz ZTJNSLLOBPSKEQ-QAPCUYQASA-N 1 0 348.487 4.041 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC000793267533 1046193240 /nfs/dbraw/zinc/19/32/40/1046193240.db2.gz BTIWQJJSPKICJZ-QAPCUYQASA-N 1 0 329.415 4.356 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793387452 1046230034 /nfs/dbraw/zinc/23/00/34/1046230034.db2.gz DSKHRIXWRNSXJB-UHFFFAOYSA-N 1 0 342.483 4.317 20 10 EICDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c(C(F)F)n1 ZINC000770651681 1046251415 /nfs/dbraw/zinc/25/14/15/1046251415.db2.gz BKMYALYLYDFCFG-UHFFFAOYSA-N 1 0 335.398 4.008 20 10 EICDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000793532258 1046296860 /nfs/dbraw/zinc/29/68/60/1046296860.db2.gz GSYOCJISAPQESK-KBRIMQKVSA-N 1 0 348.537 4.416 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1O ZINC000793576092 1046299877 /nfs/dbraw/zinc/29/98/77/1046299877.db2.gz XNTXPDRMOAFZKJ-MRXNPFEDSA-N 1 0 329.831 4.205 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000916837551 1046380115 /nfs/dbraw/zinc/38/01/15/1046380115.db2.gz OENXEWARXIZWGU-UHFFFAOYSA-N 1 0 327.428 4.039 20 10 EICDRO CSc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000771883713 1046511063 /nfs/dbraw/zinc/51/10/63/1046511063.db2.gz YQHDPQUQVOYPDD-UHFFFAOYSA-N 1 0 327.497 4.084 20 10 EICDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074774 1046638519 /nfs/dbraw/zinc/63/85/19/1046638519.db2.gz GFWUDJLREOXKPK-UHFFFAOYSA-N 1 0 348.494 4.415 20 10 EICDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c(O)ccc2ccncc21 ZINC000785518254 1046701871 /nfs/dbraw/zinc/70/18/71/1046701871.db2.gz WUEQWEOBZWWEOW-UHFFFAOYSA-N 1 0 331.419 4.444 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c(O)c1 ZINC000785578959 1046722318 /nfs/dbraw/zinc/72/23/18/1046722318.db2.gz CTGMGJQOJQCKJK-CSODHUTKSA-N 1 0 326.484 4.351 20 10 EICDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000786165930 1046814258 /nfs/dbraw/zinc/81/42/58/1046814258.db2.gz XIBRKTAVBPNHMA-JOCHJYFZSA-N 1 0 347.458 4.061 20 10 EICDRO Cc1nc(F)ccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000787044317 1046899806 /nfs/dbraw/zinc/89/98/06/1046899806.db2.gz ZSOCKMIUBKWJNY-UHFFFAOYSA-N 1 0 327.447 4.151 20 10 EICDRO Oc1ccc2ccncc2c1C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000917475821 1046900960 /nfs/dbraw/zinc/90/09/60/1046900960.db2.gz YTEJIGWWYZTPAQ-UHFFFAOYSA-N 1 0 340.373 4.383 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332749 1046978935 /nfs/dbraw/zinc/97/89/35/1046978935.db2.gz ODODYRIJWMNOGJ-QGZVFWFLSA-N 1 0 349.858 4.264 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000746716173 1047073540 /nfs/dbraw/zinc/07/35/40/1047073540.db2.gz NCAVKDMQDIXSIB-INIZCTEOSA-N 1 0 325.452 4.385 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806136667 1047130675 /nfs/dbraw/zinc/13/06/75/1047130675.db2.gz FSGXJGRQHISHMY-ROUUACIJSA-N 1 0 336.426 4.035 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1O ZINC000788258312 1047145331 /nfs/dbraw/zinc/14/53/31/1047145331.db2.gz HFEXIMJUKHXFDN-HZPDHXFCSA-N 1 0 335.879 4.260 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCSC(C)C)c1O ZINC000806168183 1047155043 /nfs/dbraw/zinc/15/50/43/1047155043.db2.gz WSHOXDUABGLGJP-LLVKDONJSA-N 1 0 332.307 4.255 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1[O-] ZINC000806130280 1047155329 /nfs/dbraw/zinc/15/53/29/1047155329.db2.gz USYCEZFPASYPTK-GOSISDBHSA-N 1 0 332.875 4.348 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000806173787 1047159831 /nfs/dbraw/zinc/15/98/31/1047159831.db2.gz DJEWTCMVMIPQSA-SJKOYZFVSA-N 1 0 339.357 4.104 20 10 EICDRO CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1[O-] ZINC000806141309 1047167326 /nfs/dbraw/zinc/16/73/26/1047167326.db2.gz IGDVUYVSEOVCPG-SFHVURJKSA-N 1 0 336.907 4.493 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000788505460 1047206540 /nfs/dbraw/zinc/20/65/40/1047206540.db2.gz HAADGZNPOYRQNB-QGZVFWFLSA-N 1 0 335.451 4.088 20 10 EICDRO C[NH+](C)[C@@H]1CCOc2c(NCc3c(O)cccc3Cl)cccc21 ZINC000788532878 1047231691 /nfs/dbraw/zinc/23/16/91/1047231691.db2.gz VKRFYNUOROJWFN-MRXNPFEDSA-N 1 0 332.831 4.043 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000788592614 1047240135 /nfs/dbraw/zinc/24/01/35/1047240135.db2.gz DXYIUFWGQOPAPJ-HOTGVXAUSA-N 1 0 348.487 4.059 20 10 EICDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000788604288 1047245294 /nfs/dbraw/zinc/24/52/94/1047245294.db2.gz JPROVDGTBHQYHF-SFHVURJKSA-N 1 0 342.527 4.270 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000788613509 1047250802 /nfs/dbraw/zinc/25/08/02/1047250802.db2.gz XODGVORWSLUVIW-OXJNMPFZSA-N 1 0 343.467 4.180 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000788621398 1047252711 /nfs/dbraw/zinc/25/27/11/1047252711.db2.gz XLLUDUPPMWIFSN-JKSUJKDBSA-N 1 0 328.431 4.099 20 10 EICDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000788622550 1047254212 /nfs/dbraw/zinc/25/42/12/1047254212.db2.gz RIFOHCNESGQMBV-BKTGTZMESA-N 1 0 333.859 4.454 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(CC(F)(F)F)CC1)CCCC2 ZINC000789527400 1047436534 /nfs/dbraw/zinc/43/65/34/1047436534.db2.gz JWSYFTHUOIKIAK-UHFFFAOYSA-N 1 0 327.390 4.435 20 10 EICDRO Cc1cc(Cl)cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1O ZINC000789775745 1047474085 /nfs/dbraw/zinc/47/40/85/1047474085.db2.gz AODFTUJCLZBVMW-KRWDZBQOSA-N 1 0 346.858 4.351 20 10 EICDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527587 1047527675 /nfs/dbraw/zinc/52/76/75/1047527675.db2.gz ZXOJJQDLSSURQL-HNNXBMFYSA-N 1 0 347.405 4.134 20 10 EICDRO CCc1ccc([C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CCO2)cc1 ZINC000790458658 1047592492 /nfs/dbraw/zinc/59/24/92/1047592492.db2.gz CWYJFGSTAJMVOL-JOCHJYFZSA-N 1 0 348.446 4.076 20 10 EICDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000918749287 1047639665 /nfs/dbraw/zinc/63/96/65/1047639665.db2.gz RJJKDFKQOPONCZ-KRWDZBQOSA-N 1 0 342.458 4.373 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1O ZINC000154827796 1047667988 /nfs/dbraw/zinc/66/79/88/1047667988.db2.gz PLHAUOIAHIIIDW-DLBZAZTESA-N 1 0 330.497 4.332 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000824314007 1047853278 /nfs/dbraw/zinc/85/32/78/1047853278.db2.gz FTRVOVHFGKUTPR-FQEVSTJZSA-N 1 0 344.524 4.121 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000824468889 1047877559 /nfs/dbraw/zinc/87/75/59/1047877559.db2.gz QYEYOTMAJYGABR-KRWDZBQOSA-N 1 0 333.378 4.236 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425510 1047889130 /nfs/dbraw/zinc/88/91/30/1047889130.db2.gz FZWPIFOIBQWDDJ-OAQYLSRUSA-N 1 0 343.490 4.064 20 10 EICDRO COc1cccc(C[NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)c1O ZINC000808419278 1047898781 /nfs/dbraw/zinc/89/87/81/1047898781.db2.gz PICFAKXOKRXIOV-HNNXBMFYSA-N 1 0 329.440 4.081 20 10 EICDRO CC[C@@H]([NH2+]CCc1scnc1C)c1ccc(C(F)(F)F)cc1O ZINC000824737582 1047905481 /nfs/dbraw/zinc/90/54/81/1047905481.db2.gz CQWQCMWVKDJQCQ-CYBMUJFWSA-N 1 0 344.402 4.459 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)c1ccccc1 ZINC000808447464 1047911519 /nfs/dbraw/zinc/91/15/19/1047911519.db2.gz ZUUDELBDAGNZQJ-KSFYIVLOSA-N 1 0 333.431 4.271 20 10 EICDRO Cc1ccncc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000824909939 1047981997 /nfs/dbraw/zinc/98/19/97/1047981997.db2.gz SHQGQCRSFKHKJO-UHFFFAOYSA-N 1 0 343.474 4.243 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)c1 ZINC000825090504 1048036287 /nfs/dbraw/zinc/03/62/87/1048036287.db2.gz AYIIIXWASVFMPD-SAZUREKKSA-N 1 0 347.842 4.099 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1OC ZINC000825106977 1048037647 /nfs/dbraw/zinc/03/76/47/1048037647.db2.gz AGCJPVIUJSAPFB-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808689278 1048038562 /nfs/dbraw/zinc/03/85/62/1048038562.db2.gz BHBKHZJVYRLXIG-CYBMUJFWSA-N 1 0 334.847 4.225 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825125056 1048039582 /nfs/dbraw/zinc/03/95/82/1048039582.db2.gz FEGGBCGUAFVRSV-QMTHXVAHSA-N 1 0 336.229 4.161 20 10 EICDRO COc1cccc(O)c1C[NH+]1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000825124308 1048040881 /nfs/dbraw/zinc/04/08/81/1048040881.db2.gz MRYSSIOBLXHWQC-UHFFFAOYSA-N 1 0 337.341 4.019 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825120839 1048041077 /nfs/dbraw/zinc/04/10/77/1048041077.db2.gz NJTYIQDIZSJJGP-UHFFFAOYSA-N 1 0 346.858 4.382 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1O ZINC000808672724 1048045877 /nfs/dbraw/zinc/04/58/77/1048045877.db2.gz RYMKVJHEGZRIHX-AWEZNQCLSA-N 1 0 343.858 4.445 20 10 EICDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808677005 1048048706 /nfs/dbraw/zinc/04/87/06/1048048706.db2.gz VWZLNMJAPOIZHB-LBPRGKRZSA-N 1 0 332.831 4.163 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1O ZINC000808703359 1048050626 /nfs/dbraw/zinc/05/06/26/1048050626.db2.gz XEGYADQFOCIULD-NSHDSACASA-N 1 0 325.239 4.296 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1O ZINC000808705512 1048051196 /nfs/dbraw/zinc/05/11/96/1048051196.db2.gz JBIOUODTZDVJOO-SCLBCKFNSA-N 1 0 331.843 4.319 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1OC ZINC000825215573 1048051348 /nfs/dbraw/zinc/05/13/48/1048051348.db2.gz RBHDCNCNPUPGSR-INIZCTEOSA-N 1 0 349.377 4.025 20 10 EICDRO COc1ccc(COCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703776 1048051414 /nfs/dbraw/zinc/05/14/14/1048051414.db2.gz WBFMXPGOKOEJQP-CQSZACIVSA-N 1 0 349.858 4.230 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000808706112 1048051740 /nfs/dbraw/zinc/05/17/40/1048051740.db2.gz DCYXEJMHEKYZHA-CYBMUJFWSA-N 1 0 347.842 4.366 20 10 EICDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808717225 1048067428 /nfs/dbraw/zinc/06/74/28/1048067428.db2.gz CDHKRMUHAZNKDC-GFCCVEGCSA-N 1 0 348.830 4.383 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000808695276 1048074371 /nfs/dbraw/zinc/07/43/71/1048074371.db2.gz KLZHTBODDKCBJQ-GHMZBOCLSA-N 1 0 345.830 4.348 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000808695278 1048074937 /nfs/dbraw/zinc/07/49/37/1048074937.db2.gz KLZHTBODDKCBJQ-QWRGUYRKSA-N 1 0 345.830 4.348 20 10 EICDRO OCC1([C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CCC1 ZINC000825311405 1048075424 /nfs/dbraw/zinc/07/54/24/1048075424.db2.gz JVXNELYPFYOFFT-INIZCTEOSA-N 1 0 337.872 4.101 20 10 EICDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808700890 1048080768 /nfs/dbraw/zinc/08/07/68/1048080768.db2.gz MWJANXNSSDAPPZ-VHAXZPJVSA-N 1 0 343.920 4.084 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000808700491 1048081239 /nfs/dbraw/zinc/08/12/39/1048081239.db2.gz LUPBAGAEKZZDOX-GFCCVEGCSA-N 1 0 327.852 4.127 20 10 EICDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000815124457 1048338877 /nfs/dbraw/zinc/33/88/77/1048338877.db2.gz YYSJTOBONOZWAH-UHFFFAOYSA-N 1 0 342.458 4.360 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)cc(OC)c1 ZINC000919954230 1048339435 /nfs/dbraw/zinc/33/94/35/1048339435.db2.gz SYSULGCTGZMHNS-UHFFFAOYSA-N 1 0 343.467 4.473 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655852 1048455313 /nfs/dbraw/zinc/45/53/13/1048455313.db2.gz RPSUQZLIRKVNAY-NRFANRHFSA-N 1 0 340.511 4.382 20 10 EICDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000809712775 1048491423 /nfs/dbraw/zinc/49/14/23/1048491423.db2.gz DYKARDBVUIUKTK-JSGCOSHPSA-N 1 0 344.318 4.165 20 10 EICDRO Cc1cc(O)c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1C ZINC000809768600 1048502946 /nfs/dbraw/zinc/50/29/46/1048502946.db2.gz PZNDBBWIEWBNKH-FUHWJXTLSA-N 1 0 343.492 4.010 20 10 EICDRO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815570502 1048507157 /nfs/dbraw/zinc/50/71/57/1048507157.db2.gz DOIBKDSOGATZMU-GFCCVEGCSA-N 1 0 342.405 4.079 20 10 EICDRO COc1cccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c1O ZINC000809735987 1048508176 /nfs/dbraw/zinc/50/81/76/1048508176.db2.gz BYTZYJWERSAIQW-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCCn1ccnc1 ZINC000815562943 1048510227 /nfs/dbraw/zinc/51/02/27/1048510227.db2.gz QBMIHVUSDVYCAH-OAQYLSRUSA-N 1 0 349.478 4.333 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)c1O ZINC000809740249 1048513502 /nfs/dbraw/zinc/51/35/02/1048513502.db2.gz QZFBNAHEXDVEJO-UHFFFAOYSA-N 1 0 348.446 4.459 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000815575997 1048516855 /nfs/dbraw/zinc/51/68/55/1048516855.db2.gz GQTILMZFZIOKII-NLWGTHIKSA-N 1 0 338.495 4.495 20 10 EICDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000809755586 1048519295 /nfs/dbraw/zinc/51/92/95/1048519295.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 1 0 335.879 4.025 20 10 EICDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809756643 1048519784 /nfs/dbraw/zinc/51/97/84/1048519784.db2.gz HQUYQNVGFCKINW-NRFANRHFSA-N 1 0 325.452 4.186 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@@H](CC)c2ccccc2OC)c1O ZINC000809780615 1048529789 /nfs/dbraw/zinc/52/97/89/1048529789.db2.gz DOMGVBZEGFOLJC-KRWDZBQOSA-N 1 0 329.440 4.383 20 10 EICDRO Cc1cc(C)c([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)c(O)c1 ZINC000815610895 1048540831 /nfs/dbraw/zinc/54/08/31/1048540831.db2.gz XTSCDXKPNSKXIX-MRXNPFEDSA-N 1 0 328.456 4.123 20 10 EICDRO OCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCCC1 ZINC000815617739 1048543483 /nfs/dbraw/zinc/54/34/83/1048543483.db2.gz UQZPBALPZONLOX-FQEVSTJZSA-N 1 0 339.479 4.208 20 10 EICDRO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000844924247 1048549200 /nfs/dbraw/zinc/54/92/00/1048549200.db2.gz ODNROGMHDOGNDJ-LLVKDONJSA-N 1 0 339.266 4.269 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N(C)C)cc1 ZINC000815659987 1048561766 /nfs/dbraw/zinc/56/17/66/1048561766.db2.gz PHDUZVFUKFDEAN-KDOFPFPSSA-N 1 0 330.497 4.068 20 10 EICDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810212858 1048681097 /nfs/dbraw/zinc/68/10/97/1048681097.db2.gz ZRWOXEPJRWSSAX-NSHDSACASA-N 1 0 345.283 4.031 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810215207 1048684491 /nfs/dbraw/zinc/68/44/91/1048684491.db2.gz AMJBNRHINMGZKE-BMIGLBTASA-N 1 0 341.377 4.255 20 10 EICDRO CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(C(F)(F)F)cc1O ZINC000810210144 1048705482 /nfs/dbraw/zinc/70/54/82/1048705482.db2.gz NYCHKFSJOGVTJG-LBPRGKRZSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810208221 1048706035 /nfs/dbraw/zinc/70/60/35/1048706035.db2.gz TYWCWXQZOSHSDM-RDJZCZTQSA-N 1 0 339.357 4.185 20 10 EICDRO Oc1cc(O)c(C[NH+](Cc2ccccc2)Cc2ccccc2)c(O)c1 ZINC001144514849 1048708305 /nfs/dbraw/zinc/70/83/05/1048708305.db2.gz UVMSNRCYYCLEDM-UHFFFAOYSA-N 1 0 335.403 4.006 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810210219 1048709527 /nfs/dbraw/zinc/70/95/27/1048709527.db2.gz PLAOKPDRFZNCRN-AWEZNQCLSA-N 1 0 340.345 4.056 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000810259725 1048710951 /nfs/dbraw/zinc/71/09/51/1048710951.db2.gz QWRSLTXACPTNSW-BEFAXECRSA-N 1 0 334.479 4.018 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccnc1C(F)(F)F ZINC001144531615 1048715953 /nfs/dbraw/zinc/71/59/53/1048715953.db2.gz PIBNLYCLVGIWMJ-UHFFFAOYSA-N 1 0 349.400 4.333 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000845928154 1048763928 /nfs/dbraw/zinc/76/39/28/1048763928.db2.gz KAKWBULYCKPLRF-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO CCOc1c(Cl)cccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972837 1048773423 /nfs/dbraw/zinc/77/34/23/1048773423.db2.gz VCXDXMBLYLNMOJ-LBPRGKRZSA-N 1 0 335.831 4.304 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)c1 ZINC000846055815 1048808180 /nfs/dbraw/zinc/80/81/80/1048808180.db2.gz OLFOAYXMDXRNRI-AWEZNQCLSA-N 1 0 346.858 4.169 20 10 EICDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846055584 1048808513 /nfs/dbraw/zinc/80/85/13/1048808513.db2.gz NIXGYCJIODIQMN-CYBMUJFWSA-N 1 0 346.858 4.115 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)c1 ZINC000846055816 1048808591 /nfs/dbraw/zinc/80/85/91/1048808591.db2.gz OLFOAYXMDXRNRI-CQSZACIVSA-N 1 0 346.858 4.169 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513120 1048823414 /nfs/dbraw/zinc/82/34/14/1048823414.db2.gz HHVKVYHUXCOAPR-OAQYLSRUSA-N 1 0 333.431 4.427 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)c1O ZINC000846150205 1048823591 /nfs/dbraw/zinc/82/35/91/1048823591.db2.gz OGHWUTCPMXRJKL-GFCCVEGCSA-N 1 0 337.366 4.161 20 10 EICDRO CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccc(F)cc1 ZINC000816535948 1048825568 /nfs/dbraw/zinc/82/55/68/1048825568.db2.gz HFMWAOGMFABBBY-FQEVSTJZSA-N 1 0 338.426 4.077 20 10 EICDRO COc1cc2c(cc1C[NH2+]Cc1ccc3ccccc3c1O)O[C@@H](C)C2 ZINC000816534522 1048825658 /nfs/dbraw/zinc/82/56/58/1048825658.db2.gz LOYKEYKAWDRAGD-AWEZNQCLSA-N 1 0 349.430 4.167 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)c1O ZINC000846159673 1048826302 /nfs/dbraw/zinc/82/63/02/1048826302.db2.gz MAXAMQGUIFYZMY-WBMJQRKESA-N 1 0 331.387 4.104 20 10 EICDRO Cc1ccc([C@H](C[NH2+]Cc2ccc3ccccc3c2O)N(C)C)cc1 ZINC000816543585 1048826510 /nfs/dbraw/zinc/82/65/10/1048826510.db2.gz GZBXXKLZGPNNFF-NRFANRHFSA-N 1 0 334.463 4.246 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)c1O ZINC000846163011 1048827253 /nfs/dbraw/zinc/82/72/53/1048827253.db2.gz KCAUAJSWCGUGNG-OAHLLOKOSA-N 1 0 341.451 4.182 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1O ZINC000846169080 1048827966 /nfs/dbraw/zinc/82/79/66/1048827966.db2.gz FSZMPSKSRLXLQJ-APPDUMDISA-N 1 0 333.378 4.407 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846136648 1048829130 /nfs/dbraw/zinc/82/91/30/1048829130.db2.gz MPNSCYCGVOTJSI-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(C(F)(F)F)cc2)c1O ZINC000846136837 1048829154 /nfs/dbraw/zinc/82/91/54/1048829154.db2.gz KKLGTBJAGNGERJ-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1O ZINC000846135373 1048829518 /nfs/dbraw/zinc/82/95/18/1048829518.db2.gz CHSCGRXJACOPJM-VXGBXAGGSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCCOCc2ccccc2)c1O ZINC000846141386 1048830315 /nfs/dbraw/zinc/83/03/15/1048830315.db2.gz IBMLLQUBSYZZNC-MRXNPFEDSA-N 1 0 329.440 4.048 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Br)c1O ZINC000846141721 1048830430 /nfs/dbraw/zinc/83/04/30/1048830430.db2.gz MZAYWPZXBRKUCK-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](Nc2ccccc2)C(C)C)c1O ZINC000846142696 1048831964 /nfs/dbraw/zinc/83/19/64/1048831964.db2.gz ABYBXHPFLFMRJN-MAUKXSAKSA-N 1 0 328.456 4.188 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)c1O ZINC000846144031 1048832255 /nfs/dbraw/zinc/83/22/55/1048832255.db2.gz KROCIPHFNBITRO-LBPRGKRZSA-N 1 0 329.371 4.445 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145842 1048832687 /nfs/dbraw/zinc/83/26/87/1048832687.db2.gz QPFUJRAWQQNJMZ-FZKQIMNGSA-N 1 0 339.439 4.325 20 10 EICDRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816554686 1048833719 /nfs/dbraw/zinc/83/37/19/1048833719.db2.gz GSEOCWPEXASNIA-HNNXBMFYSA-N 1 0 337.419 4.111 20 10 EICDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000816555683 1048834569 /nfs/dbraw/zinc/83/45/69/1048834569.db2.gz MRTCREOHGACXRU-UHFFFAOYSA-N 1 0 340.870 4.071 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1cc(Cl)ccc1O ZINC000846183461 1048836894 /nfs/dbraw/zinc/83/68/94/1048836894.db2.gz OKYDGAFPVJYBJE-PBQZTSCYSA-N 1 0 337.822 4.348 20 10 EICDRO c1ccc([C@H]2[N@H+](Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630501 1048840250 /nfs/dbraw/zinc/84/02/50/1048840250.db2.gz GKERGJXPQAQHQV-JOCHJYFZSA-N 1 0 348.490 4.250 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)ccc2ccccc12 ZINC000816593709 1048840972 /nfs/dbraw/zinc/84/09/72/1048840972.db2.gz BDHQFKTZPMILBJ-GOSISDBHSA-N 1 0 345.801 4.161 20 10 EICDRO Oc1c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)ccc2ccccc12 ZINC000816593710 1048841046 /nfs/dbraw/zinc/84/10/46/1048841046.db2.gz BDHQFKTZPMILBJ-SFHVURJKSA-N 1 0 345.801 4.161 20 10 EICDRO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000816667448 1048851620 /nfs/dbraw/zinc/85/16/20/1048851620.db2.gz NMMFJKFNFQYFNA-KRWDZBQOSA-N 1 0 333.516 4.334 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000772960136 1048999004 /nfs/dbraw/zinc/99/90/04/1048999004.db2.gz SBGWRISZTQHYPE-HYFFOGBASA-N 1 0 336.479 4.422 20 10 EICDRO CCOc1ccc([C@@H](CC)[NH2+]CCc2ccc(N)cc2)cc1OCC ZINC000817956223 1049065803 /nfs/dbraw/zinc/06/58/03/1049065803.db2.gz UJDWVNISRRCNRA-LJQANCHMSA-N 1 0 342.483 4.350 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000817955625 1049066135 /nfs/dbraw/zinc/06/61/35/1049066135.db2.gz DCJAQNYDKBZYME-ZDUSSCGKSA-N 1 0 338.373 4.103 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000817968111 1049072567 /nfs/dbraw/zinc/07/25/67/1049072567.db2.gz PDCCCJVTRBPQAN-ZTFRIQLXSA-N 1 0 326.415 4.329 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966447 1049073402 /nfs/dbraw/zinc/07/34/02/1049073402.db2.gz OBQAIPLVTCPUCN-GOEBONIOSA-N 1 0 331.287 4.129 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818117397 1049090761 /nfs/dbraw/zinc/09/07/61/1049090761.db2.gz XSSWHHLCWKCNAE-HOTGVXAUSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(F)c3)C2)cc1 ZINC000818116800 1049091105 /nfs/dbraw/zinc/09/11/05/1049091105.db2.gz PTVVINVDGSOPDE-JKSUJKDBSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(F)c3)C2)cc1 ZINC000818116799 1049091468 /nfs/dbraw/zinc/09/14/68/1049091468.db2.gz PTVVINVDGSOPDE-HZPDHXFCSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C(F)F)cc3)C2)cc1 ZINC000818219200 1049112076 /nfs/dbraw/zinc/11/20/76/1049112076.db2.gz AGXHZTARBGQTMJ-MRXNPFEDSA-N 1 0 346.421 4.249 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3coc4ccccc34)C2)cc1 ZINC000818221429 1049112618 /nfs/dbraw/zinc/11/26/18/1049112618.db2.gz MHPJMBIGNRREGD-MRXNPFEDSA-N 1 0 336.435 4.058 20 10 EICDRO c1csc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818331081 1049132538 /nfs/dbraw/zinc/13/25/38/1049132538.db2.gz UZGOWIZCRKANOI-GOSISDBHSA-N 1 0 336.460 4.152 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3csc(C)c3)C2)cc1 ZINC000818341907 1049134997 /nfs/dbraw/zinc/13/49/97/1049134997.db2.gz IVLWHCQQJYNONU-HZPDHXFCSA-N 1 0 330.497 4.242 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984351 1049212352 /nfs/dbraw/zinc/21/23/52/1049212352.db2.gz DXRWSSSVFMYHHZ-OALUTQOASA-N 1 0 340.467 4.326 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000811789496 1049277087 /nfs/dbraw/zinc/27/70/87/1049277087.db2.gz CYAKVMXVWKNQTB-PMACEKPBSA-N 1 0 329.484 4.358 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000773006072 1049520644 /nfs/dbraw/zinc/52/06/44/1049520644.db2.gz BVJZBBMHYGLHCS-IERDGZPVSA-N 1 0 342.458 4.200 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773040925 1049545310 /nfs/dbraw/zinc/54/53/10/1049545310.db2.gz PDWLEJDTYPTSTN-GKCIPKSASA-N 1 0 330.447 4.055 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000773045971 1049550955 /nfs/dbraw/zinc/55/09/55/1049550955.db2.gz KMAADUCFDQYWHF-BXTJHSDWSA-N 1 0 330.447 4.055 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000812735604 1049555720 /nfs/dbraw/zinc/55/57/20/1049555720.db2.gz DMINRRXTFWDTKC-HOTGVXAUSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000773083099 1049569588 /nfs/dbraw/zinc/56/95/88/1049569588.db2.gz SFWCNKMIHZYEAM-HNNXBMFYSA-N 1 0 329.513 4.335 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000773136538 1049599045 /nfs/dbraw/zinc/59/90/45/1049599045.db2.gz NXFNQGVWQOMCQX-OKDNKWQNSA-N 1 0 336.570 4.173 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000237589320 1049644375 /nfs/dbraw/zinc/64/43/75/1049644375.db2.gz GUJNXCMKELYAON-LBPRGKRZSA-N 1 0 337.341 4.371 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773255406 1049673996 /nfs/dbraw/zinc/67/39/96/1049673996.db2.gz AKVBBGATRAVCNN-IRXDYDNUSA-N 1 0 325.452 4.184 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773255407 1049674977 /nfs/dbraw/zinc/67/49/77/1049674977.db2.gz AKVBBGATRAVCNN-SJORKVTESA-N 1 0 325.452 4.184 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171495479 1049720996 /nfs/dbraw/zinc/72/09/96/1049720996.db2.gz ITNHDDUUIZHISP-GOSISDBHSA-N 1 0 330.422 4.020 20 10 EICDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1C ZINC001171518967 1049746096 /nfs/dbraw/zinc/74/60/96/1049746096.db2.gz ARENTOHWRYAPLV-CQSZACIVSA-N 1 0 335.369 4.068 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1cc(F)ccc1F ZINC000179803404 1049765634 /nfs/dbraw/zinc/76/56/34/1049765634.db2.gz GDXRFCABNXWSQH-QGZVFWFLSA-N 1 0 337.341 4.253 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC(F)(F)C2)c1O ZINC000813872646 1049829084 /nfs/dbraw/zinc/82/90/84/1049829084.db2.gz ISIMZIVHLGODKS-VIFPVBQESA-N 1 0 334.204 4.159 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000813883437 1049831554 /nfs/dbraw/zinc/83/15/54/1049831554.db2.gz KHTAASOZIXYTEN-JKSUJKDBSA-N 1 0 328.431 4.078 20 10 EICDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 ZINC000823765418 1049875370 /nfs/dbraw/zinc/87/53/70/1049875370.db2.gz MCMWZQJRTBVGAV-SFHVURJKSA-N 1 0 338.442 4.425 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823851614 1049881328 /nfs/dbraw/zinc/88/13/28/1049881328.db2.gz RRIMUMMHGGMTPZ-INIZCTEOSA-N 1 0 334.385 4.255 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000823931620 1049888818 /nfs/dbraw/zinc/88/88/18/1049888818.db2.gz ODADTPWWRDQZDW-HKUYNNGSSA-N 1 0 344.524 4.025 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000823996404 1049892591 /nfs/dbraw/zinc/89/25/91/1049892591.db2.gz CJJDHNRHKHRJDH-UHFFFAOYSA-N 1 0 337.492 4.112 20 10 EICDRO C[C@@H]([NH2+]C(C)(C)CNCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733900815 1050233504 /nfs/dbraw/zinc/23/35/04/1050233504.db2.gz KINUCLGOCLANJI-MRXNPFEDSA-N 1 0 343.490 4.111 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2)c(O)c1 ZINC001206308605 1050271892 /nfs/dbraw/zinc/27/18/92/1050271892.db2.gz UVKMGDJSFDXLKB-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)cc1Cn1cccn1 ZINC001177860548 1050317793 /nfs/dbraw/zinc/31/77/93/1050317793.db2.gz XUQKQROECSGEAF-MJGOQNOKSA-N 1 0 341.499 4.246 20 10 EICDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC001177860546 1050317837 /nfs/dbraw/zinc/31/78/37/1050317837.db2.gz XUQKQROECSGEAF-HKUYNNGSSA-N 1 0 341.499 4.246 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)Cc2ccccc2)cc1F ZINC001177855080 1050318003 /nfs/dbraw/zinc/31/80/03/1050318003.db2.gz KIKXJTRDPPREIQ-UHFFFAOYSA-N 1 0 332.438 4.389 20 10 EICDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904501 1050324818 /nfs/dbraw/zinc/32/48/18/1050324818.db2.gz JOGVLJHPCGHNJA-PTZVLDCSSA-N 1 0 334.467 4.003 20 10 EICDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC001178081117 1050382890 /nfs/dbraw/zinc/38/28/90/1050382890.db2.gz FVBJBLVMKRPGCG-NRFANRHFSA-N 1 0 336.479 4.035 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC001178156830 1050390751 /nfs/dbraw/zinc/39/07/51/1050390751.db2.gz HPZUIDRYCKUQCM-HKUYNNGSSA-N 1 0 329.532 4.028 20 10 EICDRO CC[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001173274313 1050391886 /nfs/dbraw/zinc/39/18/86/1050391886.db2.gz PKEACGZMXCHFMA-MXKXFIQMSA-N 1 0 340.467 4.007 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC001178369516 1050447066 /nfs/dbraw/zinc/44/70/66/1050447066.db2.gz LFAIFMPNHZIUMY-KKSFZXQISA-N 1 0 344.474 4.274 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC001178369660 1050447681 /nfs/dbraw/zinc/44/76/81/1050447681.db2.gz MWRLOQHFAVUXJD-IRXDYDNUSA-N 1 0 346.437 4.104 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000773755649 1050513531 /nfs/dbraw/zinc/51/35/31/1050513531.db2.gz UYGVUJGOFWMUTB-NRFANRHFSA-N 1 0 338.495 4.181 20 10 EICDRO C[C@H]([NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC001173674847 1050524800 /nfs/dbraw/zinc/52/48/00/1050524800.db2.gz HAXROWKWBGMVQT-KFWWJZLASA-N 1 0 348.487 4.219 20 10 EICDRO COc1ccc(-c2ccc(C[NH2+]Cc3cc(OC)ccc3O)cc2)cc1 ZINC000182220374 1050550686 /nfs/dbraw/zinc/55/06/86/1050550686.db2.gz DMVUENGJWJDJOU-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC001178972756 1050601111 /nfs/dbraw/zinc/60/11/11/1050601111.db2.gz ZAKRIONDLUWRMV-QGZVFWFLSA-N 1 0 333.479 4.330 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001178972031 1050601316 /nfs/dbraw/zinc/60/13/16/1050601316.db2.gz OLQDFFWAPCCJLF-QRFRQXIXSA-N 1 0 332.532 4.175 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC001179015746 1050610751 /nfs/dbraw/zinc/61/07/51/1050610751.db2.gz LAGSMFFRHYUGJR-QFIPXVFZSA-N 1 0 342.527 4.362 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2ncc(C)cc2C)cc1F ZINC001179040189 1050613637 /nfs/dbraw/zinc/61/36/37/1050613637.db2.gz UYSHBOYFXMHGOB-UHFFFAOYSA-N 1 0 329.463 4.016 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC001179169362 1050646930 /nfs/dbraw/zinc/64/69/30/1050646930.db2.gz YZQKGOLKVRGVDA-NRFANRHFSA-N 1 0 329.532 4.029 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC001179426253 1050698878 /nfs/dbraw/zinc/69/88/78/1050698878.db2.gz WCLFUDZQZMGFNB-FQEVSTJZSA-N 1 0 328.500 4.258 20 10 EICDRO CCCOc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1C ZINC001179717757 1050762144 /nfs/dbraw/zinc/76/21/44/1050762144.db2.gz ZPDNEKAWMHGEJZ-UHFFFAOYSA-N 1 0 347.499 4.197 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000780722441 1050797404 /nfs/dbraw/zinc/79/74/04/1050797404.db2.gz IVPZPUTUYKKSOX-IEBWSBKVSA-N 1 0 330.516 4.360 20 10 EICDRO Cc1cc(O)c(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1Cl ZINC001179887936 1050802989 /nfs/dbraw/zinc/80/29/89/1050802989.db2.gz YMWHJDCQLMIBAY-SFHVURJKSA-N 1 0 344.886 4.060 20 10 EICDRO COc1ccc(C[N@H+](C)[C@H](c2ccccc2)C(C)C)c(O)c1OC ZINC001179892366 1050805113 /nfs/dbraw/zinc/80/51/13/1050805113.db2.gz DVHZGSOWSNSGIQ-SFHVURJKSA-N 1 0 329.440 4.239 20 10 EICDRO C[C@@H](C[N@H+](C)Cc1c(O)cccc1Br)c1ccccc1 ZINC001180072303 1050873242 /nfs/dbraw/zinc/87/32/42/1050873242.db2.gz QHKSORODCDCGOW-ZDUSSCGKSA-N 1 0 334.257 4.390 20 10 EICDRO CCc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154799 1050903237 /nfs/dbraw/zinc/90/32/37/1050903237.db2.gz XQAVJOXADSLTKY-JXFKEZNVSA-N 1 0 325.452 4.225 20 10 EICDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(O)c1 ZINC001180194881 1050927352 /nfs/dbraw/zinc/92/73/52/1050927352.db2.gz NAAUCZFYXRLMOE-PZJWPPBQSA-N 1 0 325.452 4.300 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Br)cs1 ZINC000193949801 1050941241 /nfs/dbraw/zinc/94/12/41/1050941241.db2.gz NQFWGKONTDKIIJ-NSHDSACASA-N 1 0 339.302 4.427 20 10 EICDRO CCc1cccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c1O ZINC001180267433 1050942063 /nfs/dbraw/zinc/94/20/63/1050942063.db2.gz VXMCTHFENMNQDT-UHFFFAOYSA-N 1 0 325.452 4.343 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289288 1050955645 /nfs/dbraw/zinc/95/56/45/1050955645.db2.gz YSEZUMSMUVTSEQ-WIYYLYMNSA-N 1 0 338.495 4.186 20 10 EICDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC001180288129 1050956188 /nfs/dbraw/zinc/95/61/88/1050956188.db2.gz BPWMAQZKVNUSNK-CQSZACIVSA-N 1 0 346.268 4.453 20 10 EICDRO COc1cc(C)cc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1O ZINC001180293210 1050959382 /nfs/dbraw/zinc/95/93/82/1050959382.db2.gz XKHQIAIENWJVIP-UHFFFAOYSA-N 1 0 341.451 4.360 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348889 1050961747 /nfs/dbraw/zinc/96/17/47/1050961747.db2.gz FJGHHOBGFROLPT-QAPCUYQASA-N 1 0 344.886 4.046 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(Br)o1 ZINC001180392762 1050977381 /nfs/dbraw/zinc/97/73/81/1050977381.db2.gz HQBSPFWADMDLCR-UHFFFAOYSA-N 1 0 337.261 4.049 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@]2(C)CCCc3ccccc32)cc1F ZINC001180778644 1051083386 /nfs/dbraw/zinc/08/33/86/1051083386.db2.gz GBJNUHNJFYLXOD-HXUWFJFHSA-N 1 0 330.422 4.372 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@@H](CC)c1ccccc1O)O[C@H](C)C2 ZINC000183349211 1051095262 /nfs/dbraw/zinc/09/52/62/1051095262.db2.gz LUUMCYPTQKMUHK-KDOFPFPSSA-N 1 0 341.451 4.355 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c(O)cccc1Cl)CCO2 ZINC000775345590 1051115666 /nfs/dbraw/zinc/11/56/66/1051115666.db2.gz PKNFDYBKUSBWGU-MRXNPFEDSA-N 1 0 333.815 4.058 20 10 EICDRO CCCCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183418317 1051117964 /nfs/dbraw/zinc/11/79/64/1051117964.db2.gz XYNLJEKFDNDZEX-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1O ZINC000183454958 1051127523 /nfs/dbraw/zinc/12/75/23/1051127523.db2.gz URQDDVOFBQTDRA-CQSZACIVSA-N 1 0 336.391 4.088 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775363185 1051130255 /nfs/dbraw/zinc/13/02/55/1051130255.db2.gz LGQBILGLHXKDFY-INIZCTEOSA-N 1 0 342.483 4.149 20 10 EICDRO C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183504366 1051136961 /nfs/dbraw/zinc/13/69/61/1051136961.db2.gz HPLHTCLQQNTFER-JKSUJKDBSA-N 1 0 348.487 4.080 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000775375523 1051156449 /nfs/dbraw/zinc/15/64/49/1051156449.db2.gz MJTUBFLFIIJDPI-LBPRGKRZSA-N 1 0 342.370 4.046 20 10 EICDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(C)cc(OC)c1O ZINC001181184676 1051173639 /nfs/dbraw/zinc/17/36/39/1051173639.db2.gz JVMQXJHDPRYHLK-UHFFFAOYSA-N 1 0 329.440 4.217 20 10 EICDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)n(-c2ccccc2)n1 ZINC000183623806 1051184708 /nfs/dbraw/zinc/18/47/08/1051184708.db2.gz XCAPKCWZEDXPKY-WBVHZDCISA-N 1 0 335.451 4.168 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2ccncc2CC)ccc1OC ZINC000773426593 1051251034 /nfs/dbraw/zinc/25/10/34/1051251034.db2.gz DZDFEAMVMQRYOE-OAHLLOKOSA-N 1 0 328.456 4.040 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)c1ccccc1O ZINC000775412769 1051279158 /nfs/dbraw/zinc/27/91/58/1051279158.db2.gz PVBQDUONKFNLMF-SFHVURJKSA-N 1 0 338.407 4.297 20 10 EICDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000774131371 1051473300 /nfs/dbraw/zinc/47/33/00/1051473300.db2.gz OLRRPEGUTWMQMC-HNNXBMFYSA-N 1 0 330.497 4.300 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774188931 1051493238 /nfs/dbraw/zinc/49/32/38/1051493238.db2.gz KRUMNDCNQTVBNB-FQEVSTJZSA-N 1 0 339.439 4.136 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213509 1051497318 /nfs/dbraw/zinc/49/73/18/1051497318.db2.gz OAKARJXDXSKEBH-TUAOUCFPSA-N 1 0 331.287 4.222 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000775484340 1051556084 /nfs/dbraw/zinc/55/60/84/1051556084.db2.gz BRZCWLOGGBKXJV-NVXWUHKLSA-N 1 0 340.250 4.473 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cn1 ZINC000775490564 1051575180 /nfs/dbraw/zinc/57/51/80/1051575180.db2.gz CUBPARLTEZGTOO-AWEZNQCLSA-N 1 0 347.915 4.139 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc2ccc(Cl)cc2n1C ZINC000774406321 1051583642 /nfs/dbraw/zinc/58/36/42/1051583642.db2.gz RRBCNCNHUSHGBB-GFCCVEGCSA-N 1 0 341.842 4.012 20 10 EICDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484864 1051614611 /nfs/dbraw/zinc/61/46/11/1051614611.db2.gz RTDITGWRQMLTFQ-DLBZAZTESA-N 1 0 339.483 4.047 20 10 EICDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774496439 1051617557 /nfs/dbraw/zinc/61/75/57/1051617557.db2.gz LAHMVVIAWGKIEA-LLVKDONJSA-N 1 0 343.298 4.224 20 10 EICDRO CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000775498465 1051621654 /nfs/dbraw/zinc/62/16/54/1051621654.db2.gz LBCXYTTWKIEWBE-AWEZNQCLSA-N 1 0 342.867 4.001 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)cn1 ZINC000775501183 1051626680 /nfs/dbraw/zinc/62/66/80/1051626680.db2.gz CLFJTIZNNZGHDN-MRXNPFEDSA-N 1 0 334.847 4.470 20 10 EICDRO CCOc1cc(CCC[NH2+][C@@H](CC)c2ccccc2O)ccc1OC ZINC000775508766 1051639919 /nfs/dbraw/zinc/63/99/19/1051639919.db2.gz GEVNADHZZLZOOQ-SFHVURJKSA-N 1 0 343.467 4.473 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510037 1051644993 /nfs/dbraw/zinc/64/49/93/1051644993.db2.gz URXSHVOYSOPOGU-GYSYKLTISA-N 1 0 331.287 4.222 20 10 EICDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1cc(Br)ccc1O ZINC000775508049 1051647184 /nfs/dbraw/zinc/64/71/84/1051647184.db2.gz HFMQNKBJASQITI-RISCZKNCSA-N 1 0 344.293 4.399 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000775507046 1051647197 /nfs/dbraw/zinc/64/71/97/1051647197.db2.gz GOMCJRQJNLFHGC-WBVHZDCISA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775509660 1051653343 /nfs/dbraw/zinc/65/33/43/1051653343.db2.gz OEOMWOAZSOTJRT-CRAIPNDOSA-N 1 0 333.859 4.253 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cc(Cl)ccc1O ZINC000775511659 1051659286 /nfs/dbraw/zinc/65/92/86/1051659286.db2.gz GSOASYGWDDPEKH-CQSZACIVSA-N 1 0 329.831 4.471 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Br)ccc1O ZINC000775512958 1051659780 /nfs/dbraw/zinc/65/97/80/1051659780.db2.gz ULTQWPBXNVNZBU-BLLLJJGKSA-N 1 0 349.272 4.222 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccccc1O ZINC000775514092 1051661990 /nfs/dbraw/zinc/66/19/90/1051661990.db2.gz VTHCIRACBVUINX-OALUTQOASA-N 1 0 335.451 4.150 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1O ZINC001182755012 1051684018 /nfs/dbraw/zinc/68/40/18/1051684018.db2.gz PHVJCRHNPCBOPF-IBGZPJMESA-N 1 0 349.833 4.357 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000775521905 1051688907 /nfs/dbraw/zinc/68/89/07/1051688907.db2.gz DKWBUFGOSXBBMI-QRTARXTBSA-N 1 0 341.904 4.141 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775525232 1051705647 /nfs/dbraw/zinc/70/56/47/1051705647.db2.gz FFNINYHTAIAKKS-HOCLYGCPSA-N 1 0 341.785 4.098 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444688 1051735359 /nfs/dbraw/zinc/73/53/59/1051735359.db2.gz YJBXLMGOPUQMRG-QGZVFWFLSA-N 1 0 330.859 4.059 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC001182961440 1051749494 /nfs/dbraw/zinc/74/94/94/1051749494.db2.gz YQTYUTLTOPBLPW-CRAIPNDOSA-N 1 0 340.423 4.110 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c(O)c1OC ZINC001183058639 1051780325 /nfs/dbraw/zinc/78/03/25/1051780325.db2.gz GTZSLUBIMYMXOJ-INIZCTEOSA-N 1 0 333.472 4.202 20 10 EICDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001192744706 1051801779 /nfs/dbraw/zinc/80/17/79/1051801779.db2.gz HUGREZLFMHDEHN-AUUYWEPGSA-N 1 0 332.875 4.272 20 10 EICDRO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552893 1051831721 /nfs/dbraw/zinc/83/17/21/1051831721.db2.gz YKOYROVEXKJSFX-KBPBESRZSA-N 1 0 339.769 4.498 20 10 EICDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1 ZINC001184055920 1051947494 /nfs/dbraw/zinc/94/74/94/1051947494.db2.gz OHMSYHLUOYCTMK-WLLUSJSYSA-N 1 0 348.284 4.107 20 10 EICDRO Cc1ncccc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001184217220 1051968634 /nfs/dbraw/zinc/96/86/34/1051968634.db2.gz COCZPTBLYGGHMC-UHFFFAOYSA-N 1 0 348.446 4.007 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1O ZINC001184238974 1051976907 /nfs/dbraw/zinc/97/69/07/1051976907.db2.gz IAXOQMOCNKFYMB-NSHDSACASA-N 1 0 348.231 4.378 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1O ZINC000184581050 1052087000 /nfs/dbraw/zinc/08/70/00/1052087000.db2.gz ADVMPOHVCGHZMC-AOMKIAJQSA-N 1 0 333.431 4.443 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1O ZINC000184912158 1052295354 /nfs/dbraw/zinc/29/53/54/1052295354.db2.gz FBDCMBDQAWKHCZ-SNVBAGLBSA-N 1 0 329.293 4.281 20 10 EICDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184896617 1052296693 /nfs/dbraw/zinc/29/66/93/1052296693.db2.gz RNJFXPJVFXGCOR-XCLFUZPHSA-N 1 0 345.414 4.350 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000184901848 1052298037 /nfs/dbraw/zinc/29/80/37/1052298037.db2.gz NWLHHXNRMNBPNV-JLTOFOAXSA-N 1 0 329.440 4.457 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC(F)F ZINC000184950235 1052331004 /nfs/dbraw/zinc/33/10/04/1052331004.db2.gz ZXRGXIPZMNHBKK-GFCCVEGCSA-N 1 0 337.366 4.161 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000185062472 1052388276 /nfs/dbraw/zinc/38/82/76/1052388276.db2.gz OFXBVOUIBXZBFW-INIZCTEOSA-N 1 0 342.508 4.105 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1OC ZINC000185076930 1052388868 /nfs/dbraw/zinc/38/88/68/1052388868.db2.gz UHMCMKXFGRKRFF-AWEZNQCLSA-N 1 0 337.419 4.413 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc2ccccc2c1O ZINC000185095724 1052409748 /nfs/dbraw/zinc/40/97/48/1052409748.db2.gz BLWPWRWBKXZROH-ORAYPTAESA-N 1 0 325.383 4.069 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccc2c(c1)OCCO2 ZINC000185107027 1052434658 /nfs/dbraw/zinc/43/46/58/1052434658.db2.gz WYLZOJCXFGKDCZ-WMLDXEAASA-N 1 0 327.424 4.274 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c(O)c1 ZINC000185169953 1052508199 /nfs/dbraw/zinc/50/81/99/1052508199.db2.gz KDZDJLYFJLJRMT-HNNXBMFYSA-N 1 0 326.465 4.156 20 10 EICDRO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O ZINC000185340679 1052581974 /nfs/dbraw/zinc/58/19/74/1052581974.db2.gz CWYOMBMSPPCDNJ-AWEZNQCLSA-N 1 0 344.455 4.111 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1O ZINC000185407011 1052596058 /nfs/dbraw/zinc/59/60/58/1052596058.db2.gz GFEWKQUMFINDER-RNODOKPDSA-N 1 0 325.383 4.069 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000185447520 1052607274 /nfs/dbraw/zinc/60/72/74/1052607274.db2.gz GLUCMBUGCNUGJD-HZPDHXFCSA-N 1 0 342.483 4.181 20 10 EICDRO COCc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)ccc1F ZINC000185495736 1052616209 /nfs/dbraw/zinc/61/62/09/1052616209.db2.gz RLQFHSQPJXFLHZ-AWEZNQCLSA-N 1 0 343.442 4.407 20 10 EICDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185551026 1052637709 /nfs/dbraw/zinc/63/77/09/1052637709.db2.gz OTAYRUYZHSPZSQ-GJZGRUSLSA-N 1 0 329.440 4.254 20 10 EICDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185695170 1052678961 /nfs/dbraw/zinc/67/89/61/1052678961.db2.gz JUDGJEHTTHCEOK-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000764142638 1053034831 /nfs/dbraw/zinc/03/48/31/1053034831.db2.gz IUTVYQGRNBBMCH-QFIPXVFZSA-N 1 0 336.479 4.033 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1O ZINC000325250799 1053035977 /nfs/dbraw/zinc/03/59/77/1053035977.db2.gz VDOUIIOBFPJZEF-HNAYVOBHSA-N 1 0 328.431 4.019 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)cc1C ZINC000850113547 1053074542 /nfs/dbraw/zinc/07/45/42/1053074542.db2.gz MAUMFISQBMEFKT-UHFFFAOYSA-N 1 0 325.330 4.034 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850134895 1053075065 /nfs/dbraw/zinc/07/50/65/1053075065.db2.gz JKTGTKWTQODJEF-CQSZACIVSA-N 1 0 345.487 4.327 20 10 EICDRO Fc1c(C[NH2+]CCCSc2nccs2)cccc1OC1CC1 ZINC000850143346 1053078438 /nfs/dbraw/zinc/07/84/38/1053078438.db2.gz CZIPRNHZAPYJRV-UHFFFAOYSA-N 1 0 338.473 4.095 20 10 EICDRO COc1cc(C[NH2+][C@H](C)Cc2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850151274 1053078918 /nfs/dbraw/zinc/07/89/18/1053078918.db2.gz WPNKGFMALKBUEU-GFCCVEGCSA-N 1 0 346.471 4.024 20 10 EICDRO CCc1cnc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850164488 1053080849 /nfs/dbraw/zinc/08/08/49/1053080849.db2.gz ORRWIOOOOFOPOY-UHFFFAOYSA-N 1 0 334.485 4.007 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccc(C)o1 ZINC000850170487 1053081642 /nfs/dbraw/zinc/08/16/42/1053081642.db2.gz LIRLXXHVPBULOP-KRWDZBQOSA-N 1 0 347.455 4.077 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H]3C(C)=CCC[C@@H]3C)CC2)cc1 ZINC000775606414 1053098361 /nfs/dbraw/zinc/09/83/61/1053098361.db2.gz MKEZQLPDICNHNH-UWJYYQICSA-N 1 0 328.500 4.246 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000764504853 1053137679 /nfs/dbraw/zinc/13/76/79/1053137679.db2.gz RCGDLAUKHYJKBH-INIZCTEOSA-N 1 0 344.886 4.070 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764545269 1053174805 /nfs/dbraw/zinc/17/48/05/1053174805.db2.gz SSBWRHQOJTYMLP-INIZCTEOSA-N 1 0 344.886 4.070 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(F)ccc2OC(F)F)cc1C ZINC000850409014 1053182757 /nfs/dbraw/zinc/18/27/57/1053182757.db2.gz YVESYCCWSTXMHJ-UHFFFAOYSA-N 1 0 325.330 4.039 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764568111 1053195825 /nfs/dbraw/zinc/19/58/25/1053195825.db2.gz AHNGQIOZXJIFHO-IAGOWNOFSA-N 1 0 342.458 4.117 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)cc1 ZINC000850429231 1053205697 /nfs/dbraw/zinc/20/56/97/1053205697.db2.gz CIILBECJJWKJOW-AABGKKOBSA-N 1 0 328.500 4.078 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000764637413 1053241426 /nfs/dbraw/zinc/24/14/26/1053241426.db2.gz DMDAHDZHIWYHKJ-KRWDZBQOSA-N 1 0 336.483 4.233 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850474749 1053248393 /nfs/dbraw/zinc/24/83/93/1053248393.db2.gz QDSJZZLHGTWZLO-HZPDHXFCSA-N 1 0 337.467 4.484 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850482219 1053250933 /nfs/dbraw/zinc/25/09/33/1053250933.db2.gz MVXDOESSUVPULJ-QWHCGFSZSA-N 1 0 349.272 4.312 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000850482031 1053251523 /nfs/dbraw/zinc/25/15/23/1053251523.db2.gz MDJXAEDGMXIETH-DOMZBBRYSA-N 1 0 349.272 4.394 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000850485316 1053256160 /nfs/dbraw/zinc/25/61/60/1053256160.db2.gz DNQSGOGWVPQUOQ-SECBINFHSA-N 1 0 345.752 4.014 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000850503204 1053263338 /nfs/dbraw/zinc/26/33/38/1053263338.db2.gz VCQFUBOYJRDWMZ-SDLCRUBJSA-N 1 0 348.556 4.017 20 10 EICDRO CSCC1(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000850506118 1053266055 /nfs/dbraw/zinc/26/60/55/1053266055.db2.gz FVSTTZGODMKUPO-NSHDSACASA-N 1 0 344.318 4.339 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cscn2)c1O ZINC000850511375 1053268255 /nfs/dbraw/zinc/26/82/55/1053268255.db2.gz DCCNUXXVHQHKCL-VHSXEESVSA-N 1 0 341.274 4.331 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cccc(OC)c1 ZINC000850512912 1053268766 /nfs/dbraw/zinc/26/87/66/1053268766.db2.gz BWQRGKSAPRDLGF-SJCJKPOMSA-N 1 0 335.831 4.093 20 10 EICDRO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1O ZINC000850515532 1053274414 /nfs/dbraw/zinc/27/44/14/1053274414.db2.gz YBLPFHBPBXYINI-MSOLQXFVSA-N 1 0 349.858 4.483 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cccc(OC)c1 ZINC000850515458 1053275148 /nfs/dbraw/zinc/27/51/48/1053275148.db2.gz YALAEJVEUVMHLX-PXAZEXFGSA-N 1 0 335.831 4.093 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000764717575 1053277846 /nfs/dbraw/zinc/27/78/46/1053277846.db2.gz RUFNXXSAUKEMAU-VQIMIIECSA-N 1 0 326.484 4.041 20 10 EICDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)cc1O ZINC000850524197 1053286061 /nfs/dbraw/zinc/28/60/61/1053286061.db2.gz AMXQBKHAANJZKN-NSHDSACASA-N 1 0 330.266 4.011 20 10 EICDRO CCSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000850552352 1053305601 /nfs/dbraw/zinc/30/56/01/1053305601.db2.gz MNOIGPICSYVQAG-JTQLQIEISA-N 1 0 330.291 4.091 20 10 EICDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1O ZINC000850553596 1053306006 /nfs/dbraw/zinc/30/60/06/1053306006.db2.gz ZHGWHWXGTSIVAM-UFBFGSQYSA-N 1 0 334.204 4.097 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2O)c(OC)c1 ZINC000775643119 1053306459 /nfs/dbraw/zinc/30/64/59/1053306459.db2.gz TXLPSSFYSXZPJN-UHFFFAOYSA-N 1 0 335.831 4.003 20 10 EICDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1O ZINC000850551477 1053308035 /nfs/dbraw/zinc/30/80/35/1053308035.db2.gz IQEVMHBYYIJIIK-UFBFGSQYSA-N 1 0 334.204 4.097 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1O ZINC000776498989 1053379598 /nfs/dbraw/zinc/37/95/98/1053379598.db2.gz RSPKXFZAIFOJFH-INIZCTEOSA-N 1 0 347.842 4.448 20 10 EICDRO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794792611 1053388283 /nfs/dbraw/zinc/38/82/83/1053388283.db2.gz GKHSTOMKISLCNQ-NRFANRHFSA-N 1 0 338.495 4.406 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000775654889 1053392320 /nfs/dbraw/zinc/39/23/20/1053392320.db2.gz QKAOSCCFCFCPHZ-MRXNPFEDSA-N 1 0 336.435 4.262 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1O ZINC000794804210 1053396482 /nfs/dbraw/zinc/39/64/82/1053396482.db2.gz UCRPKGGHDHCLEO-DOTOQJQBSA-N 1 0 329.440 4.217 20 10 EICDRO Cc1cccc(C[N@H+](C)Cc2cc(Br)cs2)c1O ZINC000775654231 1053397969 /nfs/dbraw/zinc/39/79/69/1053397969.db2.gz IYEKZTVJMYYSNI-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001195423026 1053410315 /nfs/dbraw/zinc/41/03/15/1053410315.db2.gz BTGBCVRMOVOBTP-PZJWPPBQSA-N 1 0 342.527 4.171 20 10 EICDRO CC[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1O ZINC000794810720 1053416543 /nfs/dbraw/zinc/41/65/43/1053416543.db2.gz VKGMARKCFLVTSE-KRWDZBQOSA-N 1 0 348.487 4.141 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C)cc1O ZINC000794814435 1053421613 /nfs/dbraw/zinc/42/16/13/1053421613.db2.gz LEPBQVRGDIIJBW-QRTARXTBSA-N 1 0 345.405 4.225 20 10 EICDRO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000109772587 1053422894 /nfs/dbraw/zinc/42/28/94/1053422894.db2.gz PZMGMKFXGXFCDI-HNNXBMFYSA-N 1 0 334.419 4.004 20 10 EICDRO CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(C)cc1O ZINC000794816302 1053425853 /nfs/dbraw/zinc/42/58/53/1053425853.db2.gz ZJVYZRKPCOFVFQ-LJQANCHMSA-N 1 0 328.456 4.204 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1O ZINC000794811847 1053429510 /nfs/dbraw/zinc/42/95/10/1053429510.db2.gz ZEMZWZRFIMILKK-SWLSCSKDSA-N 1 0 325.412 4.084 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000794826433 1053429645 /nfs/dbraw/zinc/42/96/45/1053429645.db2.gz SGARZEOETVTXBP-WIYYLYMNSA-N 1 0 340.511 4.441 20 10 EICDRO CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C)cc1O ZINC000794818566 1053432394 /nfs/dbraw/zinc/43/23/94/1053432394.db2.gz UAWXMYAWJUIYTP-UYAOXDASSA-N 1 0 325.452 4.255 20 10 EICDRO Cc1cccc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c1O ZINC000775665852 1053441394 /nfs/dbraw/zinc/44/13/94/1053441394.db2.gz LZVAOQNQMKSFSG-UHFFFAOYSA-N 1 0 336.435 4.420 20 10 EICDRO C[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765238887 1053473326 /nfs/dbraw/zinc/47/33/26/1053473326.db2.gz OWWHKSYVCQGNDL-GOSISDBHSA-N 1 0 326.484 4.053 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246808 1053476521 /nfs/dbraw/zinc/47/65/21/1053476521.db2.gz WNQLGITZRDRDOC-UONOGXRCSA-N 1 0 345.874 4.084 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@H](CC)CO1 ZINC001195862491 1053509643 /nfs/dbraw/zinc/50/96/43/1053509643.db2.gz MCNAKODYHJMAGU-WOJBJXKFSA-N 1 0 330.516 4.375 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000765446073 1053550415 /nfs/dbraw/zinc/55/04/15/1053550415.db2.gz QITAHLNURAMOFO-NQIIRXRSSA-N 1 0 330.516 4.360 20 10 EICDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765443022 1053553350 /nfs/dbraw/zinc/55/33/50/1053553350.db2.gz UTJXEXZBPVAWRJ-QZTJIDSGSA-N 1 0 338.499 4.139 20 10 EICDRO Cc1ccccc1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765470134 1053558611 /nfs/dbraw/zinc/55/86/11/1053558611.db2.gz GOIPMBDCDOACTN-LJQANCHMSA-N 1 0 338.495 4.115 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@@H]3CSCCc4ccccc43)ccc21 ZINC000765481729 1053567964 /nfs/dbraw/zinc/56/79/64/1053567964.db2.gz QLLCEZMSYLCDBN-HXUWFJFHSA-N 1 0 338.520 4.189 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)c2cc3cnccc3o2)ccc1OC ZINC000865853049 1053610262 /nfs/dbraw/zinc/61/02/62/1053610262.db2.gz FIOKCBQOLLSVEG-AWEZNQCLSA-N 1 0 340.423 4.224 20 10 EICDRO CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC000110990434 1053623389 /nfs/dbraw/zinc/62/33/89/1053623389.db2.gz XJFXELDIGMDNFU-UHFFFAOYSA-N 1 0 346.858 4.286 20 10 EICDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1O ZINC000775703356 1053628273 /nfs/dbraw/zinc/62/82/73/1053628273.db2.gz OXROBHRHPBYJFR-IBGZPJMESA-N 1 0 331.431 4.031 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735499 1053715486 /nfs/dbraw/zinc/71/54/86/1053715486.db2.gz QFPVAIQYKAQIFD-BBRMVZONSA-N 1 0 345.439 4.284 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866406693 1053717703 /nfs/dbraw/zinc/71/77/03/1053717703.db2.gz GNECBACLJLEQRD-BLLLJJGKSA-N 1 0 339.357 4.104 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1 ZINC000866422794 1053725552 /nfs/dbraw/zinc/72/55/52/1053725552.db2.gz RSRNJHHMESZUGB-MRXNPFEDSA-N 1 0 341.451 4.079 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCCCCC2)cc1 ZINC000866474799 1053744707 /nfs/dbraw/zinc/74/47/07/1053744707.db2.gz SVTLVMNGIKJOND-MRXNPFEDSA-N 1 0 327.447 4.452 20 10 EICDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000866512010 1053760981 /nfs/dbraw/zinc/76/09/81/1053760981.db2.gz HHXBZNZGEORENN-NQYLQCIDSA-N 1 0 325.452 4.401 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1O ZINC000854226850 1053782953 /nfs/dbraw/zinc/78/29/53/1053782953.db2.gz ROJMRPVLXNTDSK-HWPZZCPQSA-N 1 0 347.256 4.075 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](Cc2cccnc2)C2CCCC2)c1O ZINC000866611210 1053804582 /nfs/dbraw/zinc/80/45/82/1053804582.db2.gz ZRNGKRSRZZSQGD-DNVCBOLYSA-N 1 0 340.467 4.248 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632080 1053811456 /nfs/dbraw/zinc/81/14/56/1053811456.db2.gz HUKDEFSPWJIZIK-PXNSSMCTSA-N 1 0 338.499 4.449 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3c4ccccc4C[C@@H]3C)CC2)cc1 ZINC000765637822 1053829011 /nfs/dbraw/zinc/82/90/11/1053829011.db2.gz HXAVUVMKHNDJGB-AOMKIAJQSA-N 1 0 336.479 4.187 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCCC1 ZINC000765646057 1053830869 /nfs/dbraw/zinc/83/08/69/1053830869.db2.gz ZQIJNYSKDDKHSU-AWEZNQCLSA-N 1 0 338.442 4.425 20 10 EICDRO CSc1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000775762772 1053850703 /nfs/dbraw/zinc/85/07/03/1053850703.db2.gz ULDGBHSFIFGVIJ-UHFFFAOYSA-N 1 0 341.524 4.081 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000113323774 1053925105 /nfs/dbraw/zinc/92/51/05/1053925105.db2.gz YIOAKUFVDJYYNW-UHFFFAOYSA-N 1 0 338.382 4.317 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)C(C)C)c1O ZINC001197769468 1053992335 /nfs/dbraw/zinc/99/23/35/1053992335.db2.gz NDQVQTWFHJHIEY-IBGZPJMESA-N 1 0 329.415 4.091 20 10 EICDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000122672751 1054014153 /nfs/dbraw/zinc/01/41/53/1054014153.db2.gz QBZXMPMBJQTDKC-INIZCTEOSA-N 1 0 342.483 4.237 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(OC)c(OC)c1 ZINC000122707535 1054021664 /nfs/dbraw/zinc/02/16/64/1054021664.db2.gz UVJQSWGODZMSNJ-LJQANCHMSA-N 1 0 342.483 4.319 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000122778726 1054034280 /nfs/dbraw/zinc/03/42/80/1054034280.db2.gz VUEVDRMACJTTLX-GOSISDBHSA-N 1 0 348.494 4.157 20 10 EICDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc2ccccc2c1O ZINC000186165728 1054063157 /nfs/dbraw/zinc/06/31/57/1054063157.db2.gz VDRDBANWQXVJMQ-IVZQSRNASA-N 1 0 333.431 4.030 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)cc1F ZINC000775826025 1054092624 /nfs/dbraw/zinc/09/26/24/1054092624.db2.gz BHVMVVRUUXZCAN-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834221 1054120186 /nfs/dbraw/zinc/12/01/86/1054120186.db2.gz LXFPXGYRZBGEPG-OAHLLOKOSA-N 1 0 340.467 4.205 20 10 EICDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2)n1 ZINC000775834549 1054120346 /nfs/dbraw/zinc/12/03/46/1054120346.db2.gz UZJFARMTJCKMJN-GOSISDBHSA-N 1 0 348.494 4.406 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(F)cc1[O-] ZINC000796725625 1054123397 /nfs/dbraw/zinc/12/33/97/1054123397.db2.gz XUMNGMYNHZOILV-SFHVURJKSA-N 1 0 328.431 4.155 20 10 EICDRO CCCOc1ccc(C[NH2+]CCn2c(C)nc3ccccc32)cc1C ZINC001199027366 1054337905 /nfs/dbraw/zinc/33/79/05/1054337905.db2.gz BGOGJVPPKZODTC-UHFFFAOYSA-N 1 0 337.467 4.232 20 10 EICDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001199345707 1054388360 /nfs/dbraw/zinc/38/83/60/1054388360.db2.gz STWQBZHLKBWOQF-GFCCVEGCSA-N 1 0 338.829 4.405 20 10 EICDRO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001199321142 1054393419 /nfs/dbraw/zinc/39/34/19/1054393419.db2.gz WAHXJEJPJLTLJA-ZIAGYGMSSA-N 1 0 342.886 4.032 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)cc1 ZINC000858088917 1054414808 /nfs/dbraw/zinc/41/48/08/1054414808.db2.gz YJYPITFXRSECSN-UHFFFAOYSA-N 1 0 346.496 4.059 20 10 EICDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000858160256 1054427632 /nfs/dbraw/zinc/42/76/32/1054427632.db2.gz GGBICTAKPLZZRX-VIFPVBQESA-N 1 0 340.183 4.365 20 10 EICDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000858158675 1054427741 /nfs/dbraw/zinc/42/77/41/1054427741.db2.gz OIPXGJBVYNVAPE-LLVKDONJSA-N 1 0 340.183 4.221 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000777008558 1054437484 /nfs/dbraw/zinc/43/74/84/1054437484.db2.gz RTGDVNXXQNMEFM-UHFFFAOYSA-N 1 0 340.442 4.082 20 10 EICDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000858238138 1054443510 /nfs/dbraw/zinc/44/35/10/1054443510.db2.gz VZHCEKAYROEALL-HNNXBMFYSA-N 1 0 329.440 4.176 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858366187 1054475257 /nfs/dbraw/zinc/47/52/57/1054475257.db2.gz XZCYWVMTTPHYDE-QGZVFWFLSA-N 1 0 348.494 4.312 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC001199812087 1054475603 /nfs/dbraw/zinc/47/56/03/1054475603.db2.gz HGEDUSOKVUFNLA-PMACEKPBSA-N 1 0 346.421 4.041 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1C ZINC000873010588 1054476533 /nfs/dbraw/zinc/47/65/33/1054476533.db2.gz MASGPRDKVXWISY-UHFFFAOYSA-N 1 0 339.483 4.069 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1C ZINC000873010944 1054476836 /nfs/dbraw/zinc/47/68/36/1054476836.db2.gz QYVJHJFHRNWBCT-UHFFFAOYSA-N 1 0 339.483 4.069 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1C ZINC000873131812 1054491222 /nfs/dbraw/zinc/49/12/22/1054491222.db2.gz WGEDQNXFDQBBGS-CTNGQTDRSA-N 1 0 340.467 4.189 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1O ZINC000858506322 1054506562 /nfs/dbraw/zinc/50/65/62/1054506562.db2.gz AGFLSIZXKBAOKQ-ULQDDVLXSA-N 1 0 335.488 4.425 20 10 EICDRO Cc1[nH]c2ccccc2c1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001199980740 1054510527 /nfs/dbraw/zinc/51/05/27/1054510527.db2.gz KVZMNEYPIKMFHJ-VOTSOKGWSA-N 1 0 333.479 4.388 20 10 EICDRO Cc1[nH]c2ccccc2c1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001199980738 1054511099 /nfs/dbraw/zinc/51/10/99/1054511099.db2.gz KVZMNEYPIKMFHJ-SREVYHEPSA-N 1 0 333.479 4.388 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000858563365 1054517232 /nfs/dbraw/zinc/51/72/32/1054517232.db2.gz OZUKXRIJADDIRZ-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO Cc1cccc(C[NH2+]CCOc2cccc(Cl)c2Cl)c1O ZINC000776053984 1054518646 /nfs/dbraw/zinc/51/86/46/1054518646.db2.gz CXLLIQGJEBLQCQ-UHFFFAOYSA-N 1 0 326.223 4.176 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000124593362 1054573446 /nfs/dbraw/zinc/57/34/46/1054573446.db2.gz KPIRKVYQQJPOGH-IRXDYDNUSA-N 1 0 342.458 4.117 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000020146028 1054599606 /nfs/dbraw/zinc/59/96/06/1054599606.db2.gz PSZJIWSBFBNWOB-CYBMUJFWSA-N 1 0 333.273 4.366 20 10 EICDRO CCCN(Cc1cncc(Br)c1C)c1ccc(C[NH3+])cc1 ZINC000825710594 1054612970 /nfs/dbraw/zinc/61/29/70/1054612970.db2.gz VCPXIVNFRNHFPP-UHFFFAOYSA-N 1 0 348.288 4.028 20 10 EICDRO CN(C)c1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1F ZINC001201297561 1054743373 /nfs/dbraw/zinc/74/33/73/1054743373.db2.gz HINRKENKRWMERO-UHFFFAOYSA-N 1 0 341.474 4.142 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N2CCCCC2)cc1 ZINC000776166591 1054796381 /nfs/dbraw/zinc/79/63/81/1054796381.db2.gz CSLJGPKALIIBOW-SFHVURJKSA-N 1 0 338.495 4.063 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(N2CCCCC2)cc1 ZINC000776166590 1054797434 /nfs/dbraw/zinc/79/74/34/1054797434.db2.gz CSLJGPKALIIBOW-GOSISDBHSA-N 1 0 338.495 4.063 20 10 EICDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1csc2ccccc21 ZINC000776168844 1054800106 /nfs/dbraw/zinc/80/01/06/1054800106.db2.gz MHVVLJWPBLBZKR-NSHDSACASA-N 1 0 327.405 4.186 20 10 EICDRO CCOCc1cc(C[NH2+]CC2(C)Cc3ccccc3C2)ccc1OC ZINC001201449384 1054812320 /nfs/dbraw/zinc/81/23/20/1054812320.db2.gz CAFNCTDTTBEBGD-UHFFFAOYSA-N 1 0 339.479 4.126 20 10 EICDRO CC1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCC1 ZINC001201521878 1054841774 /nfs/dbraw/zinc/84/17/74/1054841774.db2.gz HXGUHUXVLDBTOI-UHFFFAOYSA-N 1 0 337.305 4.472 20 10 EICDRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001201529496 1054845919 /nfs/dbraw/zinc/84/59/19/1054845919.db2.gz PPSPKKFPZYZISV-CQSZACIVSA-N 1 0 349.858 4.167 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742645 1054893108 /nfs/dbraw/zinc/89/31/08/1054893108.db2.gz RUTKYMQSUUJPMQ-MNBNYPOFSA-N 1 0 340.442 4.408 20 10 EICDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1O ZINC000776218928 1054925738 /nfs/dbraw/zinc/92/57/38/1054925738.db2.gz CSSATXLTDBAKQH-GTNSWQLSSA-N 1 0 340.250 4.219 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876550858 1054930183 /nfs/dbraw/zinc/93/01/83/1054930183.db2.gz DLTXWVOXUPAUJT-UHFFFAOYSA-N 1 0 339.439 4.012 20 10 EICDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001201930187 1054943713 /nfs/dbraw/zinc/94/37/13/1054943713.db2.gz WDXWZSICYCMBFA-NUJGCVRESA-N 1 0 345.487 4.499 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(O)c1 ZINC000876969711 1054990820 /nfs/dbraw/zinc/99/08/20/1054990820.db2.gz XXTQHZZFBFABGE-ZDUSSCGKSA-N 1 0 339.357 4.493 20 10 EICDRO Cc1c(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)ccnc1F ZINC000862210161 1055029195 /nfs/dbraw/zinc/02/91/95/1055029195.db2.gz BJQSSPMIFLJLKA-UHFFFAOYSA-N 1 0 327.447 4.151 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(C(F)(F)F)nc1Cl ZINC000862379304 1055060626 /nfs/dbraw/zinc/06/06/26/1055060626.db2.gz JKWSQWKMFNIQCA-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO CCc1nc2cc(C[NH2+]Cc3ccc(C)cc3O)ccc2n1C1CC1 ZINC000877504394 1055068111 /nfs/dbraw/zinc/06/81/11/1055068111.db2.gz DZGDWHKBGDNRCF-UHFFFAOYSA-N 1 0 335.451 4.237 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000862476079 1055073031 /nfs/dbraw/zinc/07/30/31/1055073031.db2.gz HNSQWKXTYRAAOY-AWEZNQCLSA-N 1 0 346.858 4.169 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000862476058 1055073182 /nfs/dbraw/zinc/07/31/82/1055073182.db2.gz GZIWYJFRBQBUKI-MRXNPFEDSA-N 1 0 340.467 4.331 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000825987121 1055098930 /nfs/dbraw/zinc/09/89/30/1055098930.db2.gz SRPLGLNTUPPXLW-GTNSWQLSSA-N 1 0 337.872 4.208 20 10 EICDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000877756577 1055115121 /nfs/dbraw/zinc/11/51/21/1055115121.db2.gz UVCORPBBCSDBSK-MRXNPFEDSA-N 1 0 349.478 4.413 20 10 EICDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000119318096 1055154718 /nfs/dbraw/zinc/15/47/18/1055154718.db2.gz BLPTUUZTTWIROY-RDJZCZTQSA-N 1 0 334.479 4.424 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1F ZINC001202407101 1055159744 /nfs/dbraw/zinc/15/97/44/1055159744.db2.gz FLDCSPNRASWZOZ-UHFFFAOYSA-N 1 0 334.385 4.035 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCCc3occc32)c(O)c(C(C)(C)C)c1 ZINC000850029773 1055326584 /nfs/dbraw/zinc/32/65/84/1055326584.db2.gz KBNKLQSFZUSYNV-KRWDZBQOSA-N 1 0 329.440 4.459 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C1CC1 ZINC000765804590 1055386188 /nfs/dbraw/zinc/38/61/88/1055386188.db2.gz KUTZXGRYZOZEOQ-MSOLQXFVSA-N 1 0 329.532 4.200 20 10 EICDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000765808751 1055447564 /nfs/dbraw/zinc/44/75/64/1055447564.db2.gz JUFPPLCKLOVTST-DIFFPNOSSA-N 1 0 340.250 4.257 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000765808755 1055447984 /nfs/dbraw/zinc/44/79/84/1055447984.db2.gz JUFPPLCKLOVTST-PIGZYNQJSA-N 1 0 340.250 4.257 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1C ZINC000765814870 1055502757 /nfs/dbraw/zinc/50/27/57/1055502757.db2.gz IWJMZSYRBMKQLR-KUHUBIRLSA-N 1 0 333.859 4.221 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c(O)c1C ZINC000903404782 1055709325 /nfs/dbraw/zinc/70/93/25/1055709325.db2.gz LZFJPQNDXWJDFD-CVEARBPZSA-N 1 0 327.472 4.417 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167422 1058528195 /nfs/dbraw/zinc/52/81/95/1058528195.db2.gz FVSRFMNRVBUXCS-KSFYIVLOSA-N 1 0 337.463 4.151 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@H](C)CO1 ZINC000742167990 1058530525 /nfs/dbraw/zinc/53/05/25/1058530525.db2.gz JBGAQWJYQCMHNI-OPAMFIHVSA-N 1 0 348.446 4.211 20 10 EICDRO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000742157618 1058540911 /nfs/dbraw/zinc/54/09/11/1058540911.db2.gz UFKNJICGJOLBKX-QGZVFWFLSA-N 1 0 325.408 4.157 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2F)cc1C ZINC000742366535 1058577574 /nfs/dbraw/zinc/57/75/74/1058577574.db2.gz JAKWMELIRABUHB-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO CC1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000742367222 1058578257 /nfs/dbraw/zinc/57/82/57/1058578257.db2.gz LEIGGNFYFLPPAG-BHBVFMNGSA-N 1 0 334.479 4.108 20 10 EICDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000742385262 1058588854 /nfs/dbraw/zinc/58/88/54/1058588854.db2.gz VODSWHMSFOVVEF-KRWDZBQOSA-N 1 0 346.421 4.355 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000742377095 1058601862 /nfs/dbraw/zinc/60/18/62/1058601862.db2.gz MIZHHYTUHYGFTH-RXVVDRJESA-N 1 0 338.495 4.228 20 10 EICDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000742377459 1058603174 /nfs/dbraw/zinc/60/31/74/1058603174.db2.gz MFJXZEATQGIOKU-INIZCTEOSA-N 1 0 326.223 4.176 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1F ZINC000742378973 1058604734 /nfs/dbraw/zinc/60/47/34/1058604734.db2.gz PVRWTRSRVOLCAH-MRXNPFEDSA-N 1 0 331.479 4.121 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C)[C@H]1CCOC1 ZINC000742379924 1058605424 /nfs/dbraw/zinc/60/54/24/1058605424.db2.gz GEZKXSCLDGNFFQ-RXVVDRJESA-N 1 0 326.484 4.307 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000743839322 1059149669 /nfs/dbraw/zinc/14/96/69/1059149669.db2.gz DGABHQQHPKDKEM-OAQYLSRUSA-N 1 0 326.484 4.007 20 10 EICDRO CC[N@H+](CCc1cccs1)Cc1cc(Br)ccc1O ZINC000743870897 1059187053 /nfs/dbraw/zinc/18/70/53/1059187053.db2.gz GKAXPWDSHWOTAW-UHFFFAOYSA-N 1 0 340.286 4.281 20 10 EICDRO CN(C)c1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000744397822 1059444656 /nfs/dbraw/zinc/44/46/56/1059444656.db2.gz FGTCGUVXBCWYQN-UHFFFAOYSA-N 1 0 336.435 4.254 20 10 EICDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000744450638 1059528937 /nfs/dbraw/zinc/52/89/37/1059528937.db2.gz ZECQVDUKYJDMQO-UHFFFAOYSA-N 1 0 341.451 4.271 20 10 EICDRO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC000746468400 1060369676 /nfs/dbraw/zinc/36/96/76/1060369676.db2.gz ABKBMGWTWCMUTN-LJQANCHMSA-N 1 0 341.451 4.034 20 10 EICDRO CCN(C)c1ccc(C[N@H+](Cc2ccccc2)C[C@](C)(O)CC)cc1 ZINC001169394942 1060805089 /nfs/dbraw/zinc/80/50/89/1060805089.db2.gz AYVOMHPFFYVJIK-JOCHJYFZSA-N 1 0 340.511 4.306 20 10 EICDRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC001169461053 1060829965 /nfs/dbraw/zinc/82/99/65/1060829965.db2.gz AXPBHSLMMUXBAB-CYBMUJFWSA-N 1 0 336.838 4.275 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000691427710 1060944023 /nfs/dbraw/zinc/94/40/23/1060944023.db2.gz FURBGMCSAZZGHO-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Br)s1 ZINC000038018510 213190411 /nfs/dbraw/zinc/19/04/11/213190411.db2.gz CTEFYRUYHOFLFC-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1O ZINC000824971735 1048011425 /nfs/dbraw/zinc/01/14/25/1048011425.db2.gz XQWROJBAKRQJGS-CYBMUJFWSA-N 1 0 338.662 4.118 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1O ZINC000841752511 1032336306 /nfs/dbraw/zinc/33/63/06/1032336306.db2.gz PGMJNQNFOXPNMM-FVMDXXJSSA-N 1 0 344.213 4.222 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1C ZINC000274799379 1019601964 /nfs/dbraw/zinc/60/19/64/1019601964.db2.gz UQDGZENPQDVTRZ-CYBMUJFWSA-N 1 0 343.858 4.400 20 10 EICDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccc1N(C)C ZINC001167107696 1020184654 /nfs/dbraw/zinc/18/46/54/1020184654.db2.gz HEEGLDYMIUQDLU-UHFFFAOYSA-N 1 0 337.511 4.292 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCC3(CCC3)CO2)C2CC2)cc1 ZINC001167109070 1020187448 /nfs/dbraw/zinc/18/74/48/1020187448.db2.gz ZOEAOTUPRJBLTA-HXUWFJFHSA-N 1 0 328.500 4.066 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000275392763 1020613512 /nfs/dbraw/zinc/61/35/12/1020613512.db2.gz YTYZYPVFDXVWIM-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000310651664 1021415607 /nfs/dbraw/zinc/41/56/07/1021415607.db2.gz VLJWTRISPUJYPV-KBPBESRZSA-N 1 0 344.455 4.109 20 10 EICDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000177597413 1021427333 /nfs/dbraw/zinc/42/73/33/1021427333.db2.gz WPPNBJKNCWLDDH-UHFFFAOYSA-N 1 0 338.495 4.111 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC000310661570 1021491892 /nfs/dbraw/zinc/49/18/92/1021491892.db2.gz ZIBKHRVTOSEILF-UXLLHSPISA-N 1 0 348.487 4.221 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(N(C)C)cc1 ZINC000177806470 1021712487 /nfs/dbraw/zinc/71/24/87/1021712487.db2.gz RYXKRWZANRDCLW-NRFANRHFSA-N 1 0 334.467 4.179 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728286332 1021728013 /nfs/dbraw/zinc/72/80/13/1021728013.db2.gz SZKFPLAQKIGITQ-GOSISDBHSA-N 1 0 348.402 4.006 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2Br)c(O)c1 ZINC000282436809 1021973219 /nfs/dbraw/zinc/97/32/19/1021973219.db2.gz MRJCDLOFXNXYNL-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963646 1022405644 /nfs/dbraw/zinc/40/56/44/1022405644.db2.gz VHXXNSMFWWZJSV-AUUYWEPGSA-N 1 0 328.431 4.456 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1O ZINC000155838774 1022509974 /nfs/dbraw/zinc/50/99/74/1022509974.db2.gz GTNZANAZAMEABR-LRDDRELGSA-N 1 0 333.403 4.350 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000378406738 1022808799 /nfs/dbraw/zinc/80/87/99/1022808799.db2.gz VEWKGTSXXJLWRT-MRXNPFEDSA-N 1 0 334.467 4.004 20 10 EICDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163617315 1022856232 /nfs/dbraw/zinc/85/62/32/1022856232.db2.gz ZOAMIJMQPOUQEY-SFHVURJKSA-N 1 0 344.549 4.469 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000706843192 1022919910 /nfs/dbraw/zinc/91/99/10/1022919910.db2.gz NMLFCDOQDXMVPT-MRXNPFEDSA-N 1 0 332.241 4.322 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000178267578 1023243723 /nfs/dbraw/zinc/24/37/23/1023243723.db2.gz SFBREEVHWOEIQV-BEFAXECRSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756573001 1023625333 /nfs/dbraw/zinc/62/53/33/1023625333.db2.gz KUDMFVGXTTWIQI-DTWKUNHWSA-N 1 0 339.233 4.171 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000377706342 1023699572 /nfs/dbraw/zinc/69/95/72/1023699572.db2.gz YVCDKXHHWBDNGP-ZDUSSCGKSA-N 1 0 337.370 4.044 20 10 EICDRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000194848360 1023786871 /nfs/dbraw/zinc/78/68/71/1023786871.db2.gz WRRLINHIGQZJSY-OAQYLSRUSA-N 1 0 336.479 4.463 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c(O)c1 ZINC000756738876 1024273470 /nfs/dbraw/zinc/27/34/70/1024273470.db2.gz LZUBHJWXVVTXEI-BZNIZROVSA-N 1 0 340.250 4.392 20 10 EICDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N2CCCCCC2)cc1 ZINC000178472500 1024788738 /nfs/dbraw/zinc/78/87/38/1024788738.db2.gz JONYEAOYYBENTH-MRXNPFEDSA-N 1 0 329.513 4.417 20 10 EICDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178471722 1024792591 /nfs/dbraw/zinc/79/25/91/1024792591.db2.gz QFASDKQWLRTBPL-CQSZACIVSA-N 1 0 333.476 4.166 20 10 EICDRO COC1CCN(c2ccc(C[N@H+](Cc3ccoc3)C3CC3)cc2)CC1 ZINC000934003137 1024939545 /nfs/dbraw/zinc/93/95/45/1024939545.db2.gz CTCXHHKBGQZENO-UHFFFAOYSA-N 1 0 340.467 4.059 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000150982989 1025242153 /nfs/dbraw/zinc/24/21/53/1025242153.db2.gz PTCRZFZRAIBPFU-GOSISDBHSA-N 1 0 345.512 4.170 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000157045107 1025787133 /nfs/dbraw/zinc/78/71/33/1025787133.db2.gz QEVFMYKJUMGJJV-YQVWRLOYSA-N 1 0 333.378 4.241 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000157045413 1025787921 /nfs/dbraw/zinc/78/79/21/1025787921.db2.gz QEVFMYKJUMGJJV-JENIJYKNSA-N 1 0 333.378 4.241 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)cc1 ZINC001167518047 1025900811 /nfs/dbraw/zinc/90/08/11/1025900811.db2.gz SVOJSINDDQOWPA-NRFANRHFSA-N 1 0 326.484 4.007 20 10 EICDRO CCC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1ccccc1O ZINC001167521724 1025905123 /nfs/dbraw/zinc/90/51/23/1025905123.db2.gz HFAZSHKNJPUYIZ-UHFFFAOYSA-N 1 0 344.430 4.081 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c(O)c1OC ZINC000894690780 1026342472 /nfs/dbraw/zinc/34/24/72/1026342472.db2.gz UPBZCDAPIGTPKX-AAEUAGOBSA-N 1 0 347.377 4.010 20 10 EICDRO Cc1cccc2c1CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000729467065 1026347506 /nfs/dbraw/zinc/34/75/06/1026347506.db2.gz JQFXHNZTNLJCKX-UHFFFAOYSA-N 1 0 325.452 4.262 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000048400274 1026637314 /nfs/dbraw/zinc/63/73/14/1026637314.db2.gz LGUOLOJRLPSMQS-LBPRGKRZSA-N 1 0 332.241 4.235 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1OC ZINC000159914641 1027017628 /nfs/dbraw/zinc/01/76/28/1027017628.db2.gz IHDNJPUBNQYLTQ-QGZVFWFLSA-N 1 0 327.424 4.055 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000327011360 1027044221 /nfs/dbraw/zinc/04/42/21/1027044221.db2.gz MNXKCNBWKFZQEJ-UHFFFAOYSA-N 1 0 336.483 4.062 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(O[C@@H]2CCCCO2)cc1 ZINC001167624624 1027450563 /nfs/dbraw/zinc/45/05/63/1027450563.db2.gz BXWKHOPOYRMZSB-GOSISDBHSA-N 1 0 332.488 4.077 20 10 EICDRO c1c2ccccc2sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122006362 1027806632 /nfs/dbraw/zinc/80/66/32/1027806632.db2.gz DZQOXCVNTMEKPE-UHFFFAOYSA-N 1 0 338.476 4.028 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1C ZINC000896803653 1027857645 /nfs/dbraw/zinc/85/76/45/1027857645.db2.gz MYLZMUPJQMTEJQ-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3OC)CC2)cc1 ZINC000156956370 1028878297 /nfs/dbraw/zinc/87/82/97/1028878297.db2.gz NBUNFJHYTKDNRB-MRXNPFEDSA-N 1 0 340.467 4.023 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)nc1C ZINC000840785449 1029281321 /nfs/dbraw/zinc/28/13/21/1029281321.db2.gz ZEVGLGGNXOCSFE-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000475196622 1029417800 /nfs/dbraw/zinc/41/78/00/1029417800.db2.gz KVPGMYSHKVKZAN-UHFFFAOYSA-N 1 0 333.410 4.464 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000475198187 1029428036 /nfs/dbraw/zinc/42/80/36/1029428036.db2.gz OTHZOBJXLDEOGL-UHFFFAOYSA-N 1 0 330.378 4.378 20 10 EICDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000278549551 1029471894 /nfs/dbraw/zinc/47/18/94/1029471894.db2.gz VSWOGGCMAXESJW-NSHDSACASA-N 1 0 343.298 4.224 20 10 EICDRO CCOc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1O ZINC000527746404 1030839756 /nfs/dbraw/zinc/83/97/56/1030839756.db2.gz WWISSHAJZDVVCB-UHFFFAOYSA-N 1 0 342.464 4.426 20 10 EICDRO CN(C)C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000527805853 1030865880 /nfs/dbraw/zinc/86/58/80/1030865880.db2.gz BKAFTEAWDBKTTK-MRXNPFEDSA-N 1 0 339.266 4.092 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc2c(cc1O)CCCC2 ZINC000527968330 1031011498 /nfs/dbraw/zinc/01/14/98/1031011498.db2.gz ZNYCGSFQZHVBNB-CQSZACIVSA-N 1 0 335.451 4.009 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000725841876 1031347186 /nfs/dbraw/zinc/34/71/86/1031347186.db2.gz QHRFBIHWLZTFLC-UHFFFAOYSA-N 1 0 332.447 4.415 20 10 EICDRO CCSCCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000310612398 1031600825 /nfs/dbraw/zinc/60/08/25/1031600825.db2.gz DPLFPKMQGQVYJC-CYBMUJFWSA-N 1 0 332.307 4.339 20 10 EICDRO COc1cccc(C[N@H+](C)[C@H](c2ccccc2)c2ccccn2)c1O ZINC000130960887 1031853850 /nfs/dbraw/zinc/85/38/50/1031853850.db2.gz XMHJWDAYMAHDDR-HXUWFJFHSA-N 1 0 334.419 4.017 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)CCO)cc1 ZINC000236961047 1033709004 /nfs/dbraw/zinc/70/90/04/1033709004.db2.gz SULPHFKEDWDNSR-UHFFFAOYSA-N 1 0 340.511 4.211 20 10 EICDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000894184568 1034647521 /nfs/dbraw/zinc/64/75/21/1034647521.db2.gz BTKCDVOFDRSKER-KOMQPUFPSA-N 1 0 347.842 4.099 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000280186790 1035199388 /nfs/dbraw/zinc/19/93/88/1035199388.db2.gz GWUZXIWGLFRKGI-UHFFFAOYSA-N 1 0 343.780 4.110 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000163639949 1035644286 /nfs/dbraw/zinc/64/42/86/1035644286.db2.gz YBLVLGLAQJFOCJ-HNNXBMFYSA-N 1 0 330.497 4.246 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)SC)c1cc(Br)ccc1O ZINC000169214968 1035843792 /nfs/dbraw/zinc/84/37/92/1035843792.db2.gz BTSVUMJVYMHKFP-LBPRGKRZSA-N 1 0 332.307 4.337 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000761191115 1035998906 /nfs/dbraw/zinc/99/89/06/1035998906.db2.gz NOSJQQFYWLSIKM-MRXNPFEDSA-N 1 0 349.883 4.344 20 10 EICDRO COc1cc(Cl)cc(CN2CCOc3ccccc3[C@@H]2C)c1O ZINC000761191748 1036009538 /nfs/dbraw/zinc/00/95/38/1036009538.db2.gz AJBONJSLBSBODY-LBPRGKRZSA-N 1 0 333.815 4.010 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2SCCc3ccccc32)c1O ZINC000761208203 1036058373 /nfs/dbraw/zinc/05/83/73/1036058373.db2.gz VWHMGWMHGOUVQY-QGZVFWFLSA-N 1 0 349.883 4.174 20 10 EICDRO CC[N@H+](Cc1ccccn1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164472320 1036165088 /nfs/dbraw/zinc/16/50/88/1036165088.db2.gz PYUTWCVZLRFMCH-UHFFFAOYSA-N 1 0 328.456 4.115 20 10 EICDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000156864889 1036464341 /nfs/dbraw/zinc/46/43/41/1036464341.db2.gz DJYYDVVDGIIAGG-UZLBHIALSA-N 1 0 344.524 4.297 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Br)ccc1O ZINC000229574189 1037257226 /nfs/dbraw/zinc/25/72/26/1037257226.db2.gz RBSUVLHTIODBQV-DZGCQCFKSA-N 1 0 342.277 4.155 20 10 EICDRO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1O ZINC000272810446 1037302020 /nfs/dbraw/zinc/30/20/20/1037302020.db2.gz CZPNEYZOZONNKL-NHYWBVRUSA-N 1 0 348.240 4.329 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000157246427 1037349837 /nfs/dbraw/zinc/34/98/37/1037349837.db2.gz UWYHDTMVKSKMRE-HOTGVXAUSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273377363 1037440846 /nfs/dbraw/zinc/44/08/46/1037440846.db2.gz GDTOXGNSNBJNCH-AZUAARDMSA-N 1 0 329.415 4.192 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)c(O)c1C ZINC000273393041 1037450853 /nfs/dbraw/zinc/45/08/53/1037450853.db2.gz LDGFVJJUSXSMQN-KRWDZBQOSA-N 1 0 335.451 4.105 20 10 EICDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163599799 1037453098 /nfs/dbraw/zinc/45/30/98/1037453098.db2.gz CMRFXQPMGXUCPU-IERDGZPVSA-N 1 0 338.520 4.263 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)c(O)c1C ZINC000273551160 1037502735 /nfs/dbraw/zinc/50/27/35/1037502735.db2.gz FZDDSUZGWVAIER-NSHDSACASA-N 1 0 344.402 4.378 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c(O)c1C ZINC000273594199 1037515881 /nfs/dbraw/zinc/51/58/81/1037515881.db2.gz QCGKQKNWRGHCJN-HHXXYDBFSA-N 1 0 327.468 4.214 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000157570368 1037682328 /nfs/dbraw/zinc/68/23/28/1037682328.db2.gz NCHVOUFDTLHEKY-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC000237130752 1037921107 /nfs/dbraw/zinc/92/11/07/1037921107.db2.gz YRXWYFLIHABLEQ-HZPDHXFCSA-N 1 0 326.406 4.280 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000128524427 1039145549 /nfs/dbraw/zinc/14/55/49/1039145549.db2.gz OLFFKGKBFQRUIQ-KRWDZBQOSA-N 1 0 335.451 4.273 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)CC(F)F)c1cc(Br)ccc1O ZINC000697702759 1040230664 /nfs/dbraw/zinc/23/06/64/1040230664.db2.gz WVFJORJHRCAHQR-SKDRFNHKSA-N 1 0 336.220 4.487 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)ccc1O ZINC000156371344 1041443739 /nfs/dbraw/zinc/44/37/39/1041443739.db2.gz LTUBXXBIEQZKBV-NHYWBVRUSA-N 1 0 342.277 4.011 20 10 EICDRO CCC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001167961126 1041466706 /nfs/dbraw/zinc/46/67/06/1041466706.db2.gz ZMJYJVZRHQFQJZ-SFHVURJKSA-N 1 0 330.516 4.314 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000366674577 1041836669 /nfs/dbraw/zinc/83/66/69/1041836669.db2.gz BZWRJHHLTAIOPA-MRXNPFEDSA-N 1 0 331.485 4.185 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237176966 1042870463 /nfs/dbraw/zinc/87/04/63/1042870463.db2.gz UOFIIUCZOJKYLK-INIZCTEOSA-N 1 0 344.524 4.279 20 10 EICDRO Cc1cc(CC[NH2+]Cc2csc(C)n2)c(C)n1-c1ccccc1 ZINC000761573998 1042885430 /nfs/dbraw/zinc/88/54/30/1042885430.db2.gz VNFHXJQRAPAXLJ-UHFFFAOYSA-N 1 0 325.481 4.191 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000727423370 1043218709 /nfs/dbraw/zinc/21/87/09/1043218709.db2.gz FZRYQBHESOKSOP-OAQYLSRUSA-N 1 0 337.394 4.258 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000727644571 1043255346 /nfs/dbraw/zinc/25/53/46/1043255346.db2.gz ONINYNCMGASTAP-UHFFFAOYSA-N 1 0 329.513 4.467 20 10 EICDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727645430 1043256012 /nfs/dbraw/zinc/25/60/12/1043256012.db2.gz JXXGGEFSNUVJMQ-OAQYLSRUSA-N 1 0 349.478 4.460 20 10 EICDRO Fc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)cc1 ZINC000921993254 1043281080 /nfs/dbraw/zinc/28/10/80/1043281080.db2.gz AHTJIYHRNBWSIS-PZJWPPBQSA-N 1 0 341.426 4.161 20 10 EICDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922002964 1043292606 /nfs/dbraw/zinc/29/26/06/1043292606.db2.gz WQOQXWUVLHXEQF-AWEZNQCLSA-N 1 0 327.472 4.122 20 10 EICDRO COc1ccc(C2([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000731679035 1043816272 /nfs/dbraw/zinc/81/62/72/1043816272.db2.gz UAZWVABBMNFDFY-UHFFFAOYSA-N 1 0 336.479 4.464 20 10 EICDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1ccc2c(c1)CCO2 ZINC000766072364 1043880014 /nfs/dbraw/zinc/88/00/14/1043880014.db2.gz HHNSLXDGBZWQFT-OAHLLOKOSA-N 1 0 334.510 4.301 20 10 EICDRO CC[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@H](C)O1 ZINC000732186114 1043883138 /nfs/dbraw/zinc/88/31/38/1043883138.db2.gz XUOGHSOECXXCHW-DZGCQCFKSA-N 1 0 325.408 4.291 20 10 EICDRO c1csc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)c1 ZINC000922163128 1043927914 /nfs/dbraw/zinc/92/79/14/1043927914.db2.gz ZSOPRDCTNTXQMU-WMZOPIPTSA-N 1 0 329.465 4.083 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](c3ccccn3)C(C)C)CC2)cc1 ZINC000766082403 1043929461 /nfs/dbraw/zinc/92/94/61/1043929461.db2.gz RZWBCCHDDIMXKT-OAQYLSRUSA-N 1 0 339.483 4.046 20 10 EICDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(OC)c2O)cc1 ZINC000732526434 1043947214 /nfs/dbraw/zinc/94/72/14/1043947214.db2.gz DLQVBLKLKOXVPK-LJQANCHMSA-N 1 0 341.451 4.445 20 10 EICDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)Nc1ccccc1 ZINC000732569618 1043963607 /nfs/dbraw/zinc/96/36/07/1043963607.db2.gz LQZTZWCCOSTQMM-INIZCTEOSA-N 1 0 346.430 4.176 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(COCc1ccccc1)OC)c1ccccc1O ZINC000702796023 1044004806 /nfs/dbraw/zinc/00/48/06/1044004806.db2.gz MBQWKQIDGAWTKV-TZIWHRDSSA-N 1 0 343.467 4.055 20 10 EICDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732821880 1044012939 /nfs/dbraw/zinc/01/29/39/1044012939.db2.gz BOEUICGYJQFQHQ-QFIPXVFZSA-N 1 0 333.431 4.191 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000766095116 1044065362 /nfs/dbraw/zinc/06/53/62/1044065362.db2.gz PTBFJDYUEPJHGV-SFHVURJKSA-N 1 0 338.495 4.366 20 10 EICDRO CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000785467928 1044147181 /nfs/dbraw/zinc/14/71/81/1044147181.db2.gz BVPRYKFALYSUGF-UHFFFAOYSA-N 1 0 332.875 4.403 20 10 EICDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1Cl ZINC000733323369 1044188221 /nfs/dbraw/zinc/18/82/21/1044188221.db2.gz WPQWDDNHULOEPC-MRXNPFEDSA-N 1 0 339.266 4.092 20 10 EICDRO O=C(CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)Nc1ccccc1 ZINC000733329902 1044194159 /nfs/dbraw/zinc/19/41/59/1044194159.db2.gz FBIHBYFTLZJXJQ-UHFFFAOYSA-N 1 0 346.430 4.178 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000766114280 1044208385 /nfs/dbraw/zinc/20/83/85/1044208385.db2.gz CDFAMVQVIYYAMA-LLVKDONJSA-N 1 0 331.378 4.170 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)c2c1 ZINC000766118828 1044220867 /nfs/dbraw/zinc/22/08/67/1044220867.db2.gz OMFCCILLWDJSCX-LBPRGKRZSA-N 1 0 339.357 4.328 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000922217282 1044236865 /nfs/dbraw/zinc/23/68/65/1044236865.db2.gz OOYIPBAAQZKVCC-UAGQMJEPSA-N 1 0 333.472 4.037 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c1 ZINC000186520468 1044249194 /nfs/dbraw/zinc/24/91/94/1044249194.db2.gz NEWVJDBAVORGGP-QGZVFWFLSA-N 1 0 341.451 4.265 20 10 EICDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)on1 ZINC000766135570 1044320517 /nfs/dbraw/zinc/32/05/17/1044320517.db2.gz LSMJWXSZAKIWLC-MRXNPFEDSA-N 1 0 327.472 4.468 20 10 EICDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000734848388 1044699217 /nfs/dbraw/zinc/69/92/17/1044699217.db2.gz GCAKPCGBONSCMQ-SFHVURJKSA-N 1 0 333.859 4.166 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c1O ZINC000895475160 1044772946 /nfs/dbraw/zinc/77/29/46/1044772946.db2.gz SHNJMCTZQBIWHU-UHFFFAOYSA-N 1 0 331.359 4.079 20 10 EICDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC000914797463 1044790457 /nfs/dbraw/zinc/79/04/57/1044790457.db2.gz ZTNYMAFZIZGVRF-UHFFFAOYSA-N 1 0 343.402 4.014 20 10 EICDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000895538294 1044804208 /nfs/dbraw/zinc/80/42/08/1044804208.db2.gz BVFWWCJODDHKIL-UHFFFAOYSA-N 1 0 347.842 4.230 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735677173 1044853539 /nfs/dbraw/zinc/85/35/39/1044853539.db2.gz NEPXMBOQSXXWGG-OAHLLOKOSA-N 1 0 346.641 4.176 20 10 EICDRO Cc1cccn2cc(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)nc12 ZINC000736641132 1044960555 /nfs/dbraw/zinc/96/05/55/1044960555.db2.gz AWLDETLSYKIUDE-UHFFFAOYSA-N 1 0 343.430 4.305 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H](C)c2ccc(C)cc2)ccc1OC ZINC000738436423 1045061763 /nfs/dbraw/zinc/06/17/63/1045061763.db2.gz WKGYROFLIIZFFF-KRWDZBQOSA-N 1 0 327.468 4.433 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CCO2 ZINC000186695951 1045142192 /nfs/dbraw/zinc/14/21/92/1045142192.db2.gz FZTPEVDLLLIBKW-KDOFPFPSSA-N 1 0 327.424 4.274 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000740900507 1045241166 /nfs/dbraw/zinc/24/11/66/1045241166.db2.gz SBJYTSPFZASMNL-AWEZNQCLSA-N 1 0 346.641 4.176 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2)cc1OC ZINC000762469612 1045249539 /nfs/dbraw/zinc/24/95/39/1045249539.db2.gz YWPKESJBRSQWSG-KRWDZBQOSA-N 1 0 327.424 4.137 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762614192 1045315184 /nfs/dbraw/zinc/31/51/84/1045315184.db2.gz KWVDDCULJUVZCS-FGTMMUONSA-N 1 0 336.570 4.002 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)Nc1ccccc1 ZINC000732569620 1045484074 /nfs/dbraw/zinc/48/40/74/1045484074.db2.gz LQZTZWCCOSTQMM-MRXNPFEDSA-N 1 0 346.430 4.176 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cc(C)nn2C)cc1 ZINC000790601803 1045543321 /nfs/dbraw/zinc/54/33/21/1045543321.db2.gz OVQGSLUDXWXDPC-UHFFFAOYSA-N 1 0 348.494 4.045 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000790697156 1045559953 /nfs/dbraw/zinc/55/99/53/1045559953.db2.gz KDOIZORVJQIIDB-LPHOPBHVSA-N 1 0 340.515 4.128 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000767691422 1045616447 /nfs/dbraw/zinc/61/64/47/1045616447.db2.gz CUOKSJBBQNDRSR-INIZCTEOSA-N 1 0 344.886 4.336 20 10 EICDRO Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768163461 1045730626 /nfs/dbraw/zinc/73/06/26/1045730626.db2.gz YZZNFZMWHHVZFI-IBGZPJMESA-N 1 0 329.415 4.021 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cnc2ccccc2c1)C[C@H]1CCCO1 ZINC000768163443 1045732045 /nfs/dbraw/zinc/73/20/45/1045732045.db2.gz YXTSTXLPAMESJQ-HXUWFJFHSA-N 1 0 348.446 4.122 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Cl)cc1OC ZINC000768227755 1045756085 /nfs/dbraw/zinc/75/60/85/1045756085.db2.gz HXACNCDYSCTNJZ-INIZCTEOSA-N 1 0 347.842 4.400 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000768248942 1045762770 /nfs/dbraw/zinc/76/27/70/1045762770.db2.gz LCEQFSOSTKLSQH-GOSISDBHSA-N 1 0 329.465 4.081 20 10 EICDRO CCOc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(O)c1 ZINC000768258205 1045768053 /nfs/dbraw/zinc/76/80/53/1045768053.db2.gz UJOALCGBVMLLAX-UHFFFAOYSA-N 1 0 340.467 4.022 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2nccc3ccccc32)C2CC2)cc1 ZINC000768257594 1045769109 /nfs/dbraw/zinc/76/91/09/1045769109.db2.gz NKORRYHNWVZRQO-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000768293111 1045780612 /nfs/dbraw/zinc/78/06/12/1045780612.db2.gz LLISQQGBKSXIMO-SZFUDVHCSA-N 1 0 329.484 4.127 20 10 EICDRO CC(C)[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000768352657 1045794695 /nfs/dbraw/zinc/79/46/95/1045794695.db2.gz QTTRWSSZIDMGEJ-UHFFFAOYSA-N 1 0 328.504 4.184 20 10 EICDRO COc1cc(O)c(C[N@H+]([C@H](C)c2ccccc2)C2CC2)cc1OC ZINC000768440000 1045807174 /nfs/dbraw/zinc/80/71/74/1045807174.db2.gz MYJNTLVMKKVZNH-CQSZACIVSA-N 1 0 327.424 4.135 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1OC ZINC000768453579 1045808979 /nfs/dbraw/zinc/80/89/79/1045808979.db2.gz ZAQAGQAOHYBLLI-KRWDZBQOSA-N 1 0 341.451 4.179 20 10 EICDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000768480611 1045810041 /nfs/dbraw/zinc/81/00/41/1045810041.db2.gz BSIXOKKKMFHCFF-UHFFFAOYSA-N 1 0 343.442 4.329 20 10 EICDRO COc1cccc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c1O ZINC000769020121 1045870750 /nfs/dbraw/zinc/87/07/50/1045870750.db2.gz AJOQPGFDZZUKAY-UHFFFAOYSA-N 1 0 341.451 4.061 20 10 EICDRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000792285876 1045883427 /nfs/dbraw/zinc/88/34/27/1045883427.db2.gz KLVGLMOEXFOIPH-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000769193231 1045885346 /nfs/dbraw/zinc/88/53/46/1045885346.db2.gz ZOUVWBZJJVSZJW-UHFFFAOYSA-N 1 0 347.499 4.352 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000769191524 1045885502 /nfs/dbraw/zinc/88/55/02/1045885502.db2.gz CZTVQIOXXIDWKR-UHFFFAOYSA-N 1 0 349.478 4.472 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000769209447 1045893140 /nfs/dbraw/zinc/89/31/40/1045893140.db2.gz BZUXYQURAIZWID-UTKZUKDTSA-N 1 0 341.451 4.001 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209444 1045893673 /nfs/dbraw/zinc/89/36/73/1045893673.db2.gz BZUXYQURAIZWID-DYESRHJHSA-N 1 0 341.451 4.001 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)c(O)c1 ZINC000769217661 1045896375 /nfs/dbraw/zinc/89/63/75/1045896375.db2.gz JEHZLKOLHBVXPV-UHFFFAOYSA-N 1 0 333.472 4.105 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000769385369 1045944866 /nfs/dbraw/zinc/94/48/66/1045944866.db2.gz WFWKOCNGTBNNQZ-NQIIRXRSSA-N 1 0 338.495 4.186 20 10 EICDRO Cc1cccn2c(C[N@H+](Cc3ccccc3O)C3CCCC3)cnc12 ZINC000769385250 1045946468 /nfs/dbraw/zinc/94/64/68/1045946468.db2.gz UPJRTPYDBBHVLF-UHFFFAOYSA-N 1 0 335.451 4.293 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c1 ZINC000769399304 1045948273 /nfs/dbraw/zinc/94/82/73/1045948273.db2.gz ZROAYOQLDACRLK-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCc4ccsc4C3)c2c1 ZINC000760283211 1045952414 /nfs/dbraw/zinc/95/24/14/1045952414.db2.gz BQMBJZCPEXXXEE-UHFFFAOYSA-N 1 0 325.433 4.174 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1C ZINC000067690433 1045980131 /nfs/dbraw/zinc/98/01/31/1045980131.db2.gz KOMMEQOYFFLEDB-OAHLLOKOSA-N 1 0 329.440 4.180 20 10 EICDRO Cc1cccc(NC2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000769469955 1045985520 /nfs/dbraw/zinc/98/55/20/1045985520.db2.gz IJDFKGSMQHHDQS-UHFFFAOYSA-N 1 0 341.474 4.277 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000769532346 1046010729 /nfs/dbraw/zinc/01/07/29/1046010729.db2.gz JGCFFQSSUVKTLD-HNNXBMFYSA-N 1 0 342.508 4.416 20 10 EICDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000769550414 1046019921 /nfs/dbraw/zinc/01/99/21/1046019921.db2.gz RWFSFEUWNFVOTN-UONOGXRCSA-N 1 0 344.318 4.261 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000769560555 1046021692 /nfs/dbraw/zinc/02/16/92/1046021692.db2.gz WAQAYVATGXLKBS-CYBMUJFWSA-N 1 0 333.378 4.059 20 10 EICDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000792894445 1046095236 /nfs/dbraw/zinc/09/52/36/1046095236.db2.gz XKFZRHDJNBDKHP-CVEARBPZSA-N 1 0 342.483 4.052 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c1 ZINC000769989835 1046123182 /nfs/dbraw/zinc/12/31/82/1046123182.db2.gz RBDKMCWVIHSJLY-AWEZNQCLSA-N 1 0 326.415 4.225 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000793009425 1046123996 /nfs/dbraw/zinc/12/39/96/1046123996.db2.gz IAZAZOHCVHZRRT-QGZVFWFLSA-N 1 0 344.421 4.066 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccc(C)o1 ZINC000747099488 1046127863 /nfs/dbraw/zinc/12/78/63/1046127863.db2.gz DALJNUDSZSMDLX-IBGZPJMESA-N 1 0 337.419 4.438 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000763415197 1046146976 /nfs/dbraw/zinc/14/69/76/1046146976.db2.gz QBQPUYNTOPXGKO-QYWGDWMGSA-N 1 0 344.474 4.445 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000770293930 1046174056 /nfs/dbraw/zinc/17/40/56/1046174056.db2.gz ZTJNSLLOBPSKEQ-CRAIPNDOSA-N 1 0 348.487 4.041 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1C ZINC000770324513 1046180900 /nfs/dbraw/zinc/18/09/00/1046180900.db2.gz GYJUEJWTWSVDRU-FPOVZHCZSA-N 1 0 343.442 4.236 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770327487 1046181097 /nfs/dbraw/zinc/18/10/97/1046181097.db2.gz QYTJWMRCWKLUKO-WOJBJXKFSA-N 1 0 342.483 4.214 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000793234232 1046181809 /nfs/dbraw/zinc/18/18/09/1046181809.db2.gz XUBMZCDALCYCHW-IBGZPJMESA-N 1 0 344.474 4.019 20 10 EICDRO CCc1cccc(C[NH2+]Cc2cc(F)ccc2Br)c1O ZINC000691481839 1046188296 /nfs/dbraw/zinc/18/82/96/1046188296.db2.gz HVWJVNKCPFADIF-UHFFFAOYSA-N 1 0 338.220 4.146 20 10 EICDRO C[NH+](C)Cc1ccc(NCc2cccc(Cl)c2O)cc1Cl ZINC000793343951 1046201531 /nfs/dbraw/zinc/20/15/31/1046201531.db2.gz NYMKBAQKRRMJME-UHFFFAOYSA-N 1 0 325.239 4.373 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)c(O)c1 ZINC000793386749 1046228987 /nfs/dbraw/zinc/22/89/87/1046228987.db2.gz YVHZZYGXALFGQN-NSHDSACASA-N 1 0 325.861 4.227 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c(O)c1 ZINC000793388049 1046229049 /nfs/dbraw/zinc/22/90/49/1046229049.db2.gz JJMJHUOFKBFEDV-UHFFFAOYSA-N 1 0 330.186 4.137 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC(Cc3cccnc3)CC1)CCCC2 ZINC000770667388 1046243748 /nfs/dbraw/zinc/24/37/48/1046243748.db2.gz XGQBFQLVIHEUGL-UHFFFAOYSA-N 1 0 336.479 4.121 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000310997585 1046268767 /nfs/dbraw/zinc/26/87/67/1046268767.db2.gz WYAMBZBMPNYQSO-UHFFFAOYSA-N 1 0 337.394 4.400 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000793613263 1046311989 /nfs/dbraw/zinc/31/19/89/1046311989.db2.gz LSOOLVIPIGRXHV-OCCSQVGLSA-N 1 0 334.674 4.370 20 10 EICDRO COc1cc(Cl)cc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000793620326 1046314208 /nfs/dbraw/zinc/31/42/08/1046314208.db2.gz OCNJWUAPGQATQU-UHFFFAOYSA-N 1 0 337.769 4.219 20 10 EICDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1c1ccccc1 ZINC000746383161 1046335800 /nfs/dbraw/zinc/33/58/00/1046335800.db2.gz QTXWBSQDYHKFSZ-MAUKXSAKSA-N 1 0 339.435 4.137 20 10 EICDRO COc1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)cc1C ZINC000916838799 1046383595 /nfs/dbraw/zinc/38/35/95/1046383595.db2.gz CQWXMMNBTYTTHC-UHFFFAOYSA-N 1 0 338.495 4.326 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000771387618 1046393489 /nfs/dbraw/zinc/39/34/89/1046393489.db2.gz LRJSPAJGWLXEJF-BRWVUGGUSA-N 1 0 334.479 4.282 20 10 EICDRO Oc1ccccc1C[NH2+]CCc1cc(Cl)ccc1Br ZINC000771981909 1046542027 /nfs/dbraw/zinc/54/20/27/1046542027.db2.gz VWKAZWYWZMEVMX-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO CC(C)[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(N(C)C)cc1 ZINC000917075010 1046637503 /nfs/dbraw/zinc/63/75/03/1046637503.db2.gz OHHRQPAUWRNFRX-UHFFFAOYSA-N 1 0 339.439 4.411 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785572656 1046723917 /nfs/dbraw/zinc/72/39/17/1046723917.db2.gz HZDBCRJJZXLVRD-GCKMJXCFSA-N 1 0 342.483 4.051 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cccc3cccnc32)C2CC2)cc1 ZINC000917418126 1046868296 /nfs/dbraw/zinc/86/82/96/1046868296.db2.gz WTRQZUOWZSMALD-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000786953941 1046884372 /nfs/dbraw/zinc/88/43/72/1046884372.db2.gz PGCYSIHNRJWQKK-AAEUAGOBSA-N 1 0 325.758 4.054 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154425377 1046935124 /nfs/dbraw/zinc/93/51/24/1046935124.db2.gz COIKCAIRYUNLPJ-LIRRHRJNSA-N 1 0 348.487 4.262 20 10 EICDRO CC(C)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccnn1C ZINC000788076989 1047103494 /nfs/dbraw/zinc/10/34/94/1047103494.db2.gz RAWCFWUKYHOBHV-HXUWFJFHSA-N 1 0 349.478 4.322 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138622 1047134798 /nfs/dbraw/zinc/13/47/98/1047134798.db2.gz YHRAHARHOBFTFT-MRXNPFEDSA-N 1 0 345.314 4.472 20 10 EICDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000788261886 1047145229 /nfs/dbraw/zinc/14/52/29/1047145229.db2.gz LQNHTZIPFZAVQV-GFCCVEGCSA-N 1 0 344.293 4.055 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1C ZINC000806173336 1047160680 /nfs/dbraw/zinc/16/06/80/1047160680.db2.gz XHIVXAZYHKKYOL-KXBFYZLASA-N 1 0 330.447 4.102 20 10 EICDRO COCC(C)(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000806176296 1047179151 /nfs/dbraw/zinc/17/91/51/1047179151.db2.gz NPGCIFZFXHKKIH-GFCCVEGCSA-N 1 0 344.293 4.258 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157007 1047179382 /nfs/dbraw/zinc/17/93/82/1047179382.db2.gz AEANAQIBQDEEPA-HNNXBMFYSA-N 1 0 345.314 4.472 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1O ZINC000806178095 1047186585 /nfs/dbraw/zinc/18/65/85/1047186585.db2.gz OSJYIXMMBHAQJQ-NEPJUHHUSA-N 1 0 344.318 4.257 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1C ZINC000806178862 1047201114 /nfs/dbraw/zinc/20/11/14/1047201114.db2.gz JXXMKOPPBWQMTL-HOCLYGCPSA-N 1 0 333.859 4.089 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1C ZINC000806178863 1047201748 /nfs/dbraw/zinc/20/17/48/1047201748.db2.gz JXXMKOPPBWQMTL-ZBFHGGJFSA-N 1 0 333.859 4.089 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000788563021 1047225845 /nfs/dbraw/zinc/22/58/45/1047225845.db2.gz JEKRNSSUFZRFIK-SJORKVTESA-N 1 0 342.458 4.325 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)ccc1O ZINC000788621394 1047251967 /nfs/dbraw/zinc/25/19/67/1047251967.db2.gz XLLUDUPPMWIFSN-HOTGVXAUSA-N 1 0 328.431 4.099 20 10 EICDRO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H](O)c1ccccc1 ZINC000788622589 1047253253 /nfs/dbraw/zinc/25/32/53/1047253253.db2.gz SBJAQJDBKNTZGE-JTVBXEMZSA-N 1 0 343.442 4.427 20 10 EICDRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](O)c1ccccc1 ZINC000788622588 1047254048 /nfs/dbraw/zinc/25/40/48/1047254048.db2.gz SBJAQJDBKNTZGE-JKDHXBHNSA-N 1 0 343.442 4.427 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000788757931 1047287746 /nfs/dbraw/zinc/28/77/46/1047287746.db2.gz NIKAKXKEBIBFIC-VBQJREDUSA-N 1 0 345.405 4.143 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)nc2N2CCCC2)c(O)c1 ZINC000788735891 1047299980 /nfs/dbraw/zinc/29/99/80/1047299980.db2.gz SPQORAYUQIUGSG-QGZVFWFLSA-N 1 0 339.483 4.163 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000788749415 1047301484 /nfs/dbraw/zinc/30/14/84/1047301484.db2.gz FOGRLTVJCQNWMI-KUHUBIRLSA-N 1 0 333.859 4.221 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@]2(C1)CCCOC2)CCCC3 ZINC000789564502 1047441757 /nfs/dbraw/zinc/44/17/57/1047441757.db2.gz HAZUQBSNBSIASG-OAQYLSRUSA-N 1 0 341.451 4.020 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789769231 1047470019 /nfs/dbraw/zinc/47/00/19/1047470019.db2.gz NVCCHGLGRLKZFT-OAQYLSRUSA-N 1 0 346.430 4.108 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000154812183 1047649511 /nfs/dbraw/zinc/64/95/11/1047649511.db2.gz MUESTCXEYHOFON-DLBZAZTESA-N 1 0 334.467 4.350 20 10 EICDRO Cc1cc2[nH+]ccn2cc1NCc1cc(Cl)c2cccnc2c1O ZINC001168524352 1047743842 /nfs/dbraw/zinc/74/38/42/1047743842.db2.gz ZYFDPQXNSMHDRX-UHFFFAOYSA-N 1 0 338.798 4.162 20 10 EICDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000824339386 1047858209 /nfs/dbraw/zinc/85/82/09/1047858209.db2.gz UQJNUDMRKXSJOC-VQIMIIECSA-N 1 0 344.524 4.384 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000814169811 1047871213 /nfs/dbraw/zinc/87/12/13/1047871213.db2.gz MWFHDGNPWBOZHK-IBGZPJMESA-N 1 0 338.495 4.495 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CSc3ccccc32)c1O ZINC000824482657 1047874435 /nfs/dbraw/zinc/87/44/35/1047874435.db2.gz BLXSLCHDSFJMPI-GFCCVEGCSA-N 1 0 335.856 4.033 20 10 EICDRO CC[C@H]([NH2+]Cc1nc(C)c(Br)s1)c1ccccc1O ZINC000824591452 1047890870 /nfs/dbraw/zinc/89/08/70/1047890870.db2.gz VLMBEKHMZFWQEF-NSHDSACASA-N 1 0 341.274 4.161 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1O ZINC000824654309 1047894701 /nfs/dbraw/zinc/89/47/01/1047894701.db2.gz MRYXAGBOQKGGTQ-JSGCOSHPSA-N 1 0 331.378 4.392 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808451266 1047915569 /nfs/dbraw/zinc/91/55/69/1047915569.db2.gz KKBFRTIIGGSLHL-IBGZPJMESA-N 1 0 331.415 4.325 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000808453981 1047921214 /nfs/dbraw/zinc/92/12/14/1047921214.db2.gz DAGIQRYEBCROFB-HXUWFJFHSA-N 1 0 344.886 4.418 20 10 EICDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824775844 1047933160 /nfs/dbraw/zinc/93/31/60/1047933160.db2.gz CCWRWQYIMXMCJS-NSHDSACASA-N 1 0 336.229 4.053 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751589 1047939444 /nfs/dbraw/zinc/93/94/44/1047939444.db2.gz ZWKXVHSTSBLCFJ-QGZVFWFLSA-N 1 0 337.463 4.498 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1O ZINC000808680131 1048034448 /nfs/dbraw/zinc/03/44/48/1048034448.db2.gz CQRYAAYWZZHBAN-ZIAGYGMSSA-N 1 0 331.843 4.256 20 10 EICDRO Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)cn2c1 ZINC000808690899 1048038243 /nfs/dbraw/zinc/03/82/43/1048038243.db2.gz GSNHCQIXXFOOQX-ZDUSSCGKSA-N 1 0 329.831 4.161 20 10 EICDRO COc1ccccc1OCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808673026 1048045327 /nfs/dbraw/zinc/04/53/27/1048045327.db2.gz VVFITDNYTPCJKK-CYBMUJFWSA-N 1 0 335.831 4.092 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000808672839 1048046731 /nfs/dbraw/zinc/04/67/31/1048046731.db2.gz SGUBORPCOWSAIY-DOMZBBRYSA-N 1 0 338.904 4.369 20 10 EICDRO COCCOc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808678380 1048048425 /nfs/dbraw/zinc/04/84/25/1048048425.db2.gz OXBZJYLEGHCBMA-CQSZACIVSA-N 1 0 349.858 4.230 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000808679419 1048049513 /nfs/dbraw/zinc/04/95/13/1048049513.db2.gz ONYJHSRXMMFTAK-CZUORRHYSA-N 1 0 335.879 4.316 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1O ZINC000808706276 1048052609 /nfs/dbraw/zinc/05/26/09/1048052609.db2.gz GKLPHZBMRYCJJM-ZQIUZPCESA-N 1 0 325.880 4.336 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1O ZINC000808708918 1048056708 /nfs/dbraw/zinc/05/67/08/1048056708.db2.gz RVZGJEBZXWWCMW-SCLBCKFNSA-N 1 0 330.859 4.191 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O ZINC000808712040 1048059662 /nfs/dbraw/zinc/05/96/62/1048059662.db2.gz ZUUZGHUYKWKCSE-GGBBIFEXSA-N 1 0 335.875 4.352 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000808715399 1048064123 /nfs/dbraw/zinc/06/41/23/1048064123.db2.gz CTFRDQMDZHAWJJ-BBRMVZONSA-N 1 0 347.890 4.340 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000808718301 1048066614 /nfs/dbraw/zinc/06/66/14/1048066614.db2.gz SOZZFANWWYJTDM-JTQLQIEISA-N 1 0 342.773 4.201 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000825326075 1048072367 /nfs/dbraw/zinc/07/23/67/1048072367.db2.gz MSUBEWHWWIEKHV-GFCCVEGCSA-N 1 0 334.803 4.421 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)c1O ZINC000808695511 1048076712 /nfs/dbraw/zinc/07/67/12/1048076712.db2.gz NWKLNQZQWRLHSB-ZDUSSCGKSA-N 1 0 329.831 4.161 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000808694873 1048076980 /nfs/dbraw/zinc/07/69/80/1048076980.db2.gz GVYRBDGNJAGMGH-VXGBXAGGSA-N 1 0 347.846 4.256 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000825406747 1048090368 /nfs/dbraw/zinc/09/03/68/1048090368.db2.gz YHMDBPQGXBHKHU-DNVCBOLYSA-N 1 0 331.843 4.221 20 10 EICDRO CC[C@@H](OCC[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000844312056 1048268091 /nfs/dbraw/zinc/26/80/91/1048268091.db2.gz IKMBPROTNJRCQI-FOIQADDNSA-N 1 0 329.440 4.219 20 10 EICDRO Cc1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)ccc1N(C)C ZINC000815061226 1048317239 /nfs/dbraw/zinc/31/72/39/1048317239.db2.gz MXASRIZPCVUEOZ-UHFFFAOYSA-N 1 0 336.479 4.083 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000919954920 1048339002 /nfs/dbraw/zinc/33/90/02/1048339002.db2.gz UIKKIXYFCPGUIF-KRWDZBQOSA-N 1 0 326.440 4.127 20 10 EICDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000815151807 1048349089 /nfs/dbraw/zinc/34/90/89/1048349089.db2.gz UQEVGTLFWWEACX-UHFFFAOYSA-N 1 0 334.257 4.488 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815153859 1048352421 /nfs/dbraw/zinc/35/24/21/1048352421.db2.gz ZTPVQLWADCILFS-UHFFFAOYSA-N 1 0 331.721 4.076 20 10 EICDRO COc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cc1C ZINC000815143886 1048365963 /nfs/dbraw/zinc/36/59/63/1048365963.db2.gz PDGMQTVKVADNAA-UHFFFAOYSA-N 1 0 343.442 4.024 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2occc2c1)C[C@H]1CCCO1 ZINC000809538869 1048398368 /nfs/dbraw/zinc/39/83/68/1048398368.db2.gz UNBJDHBEDIRYNU-LJQANCHMSA-N 1 0 337.419 4.320 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)CCCC2 ZINC000844720732 1048479129 /nfs/dbraw/zinc/47/91/29/1048479129.db2.gz NNNKCRLDCLELGT-UHFFFAOYSA-N 1 0 343.364 4.137 20 10 EICDRO CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCSC2)cc1 ZINC000809731727 1048484881 /nfs/dbraw/zinc/48/48/81/1048484881.db2.gz OTENVEFQJHOSPT-KRWDZBQOSA-N 1 0 330.497 4.101 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cc(F)c(F)cc2Br)c1O ZINC000809709681 1048491324 /nfs/dbraw/zinc/49/13/24/1048491324.db2.gz GLALKZPEILZSGL-UHFFFAOYSA-N 1 0 342.183 4.031 20 10 EICDRO CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815553517 1048504642 /nfs/dbraw/zinc/50/46/42/1048504642.db2.gz BUXHRHWAJBJOIY-NRFANRHFSA-N 1 0 338.495 4.140 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000815553331 1048506153 /nfs/dbraw/zinc/50/61/53/1048506153.db2.gz XSJYXNRSVDRHAP-YJBOKZPZSA-N 1 0 330.447 4.102 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1O ZINC000809740434 1048512497 /nfs/dbraw/zinc/51/24/97/1048512497.db2.gz YQWYXHZRUPCSOW-WCFLWFBJSA-N 1 0 337.872 4.398 20 10 EICDRO COc1ccccc1OCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815575763 1048518051 /nfs/dbraw/zinc/51/80/51/1048518051.db2.gz ZLPFBVZCYVWDSS-INIZCTEOSA-N 1 0 329.440 4.137 20 10 EICDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579270 1048518564 /nfs/dbraw/zinc/51/85/64/1048518564.db2.gz JBGDYCWVCNQISE-SCWSEQNSSA-N 1 0 327.468 4.063 20 10 EICDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815583384 1048520417 /nfs/dbraw/zinc/52/04/17/1048520417.db2.gz DLBQBNASFDMAIQ-YOEHRIQHSA-N 1 0 327.424 4.192 20 10 EICDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815583382 1048520948 /nfs/dbraw/zinc/52/09/48/1048520948.db2.gz DLBQBNASFDMAIQ-RHSMWYFYSA-N 1 0 327.424 4.192 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(N(C)C)nc3ccccc23)c(O)c1 ZINC000815585534 1048522851 /nfs/dbraw/zinc/52/28/51/1048522851.db2.gz KFONSTPWQQXFLV-INIZCTEOSA-N 1 0 349.478 4.474 20 10 EICDRO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815583784 1048523344 /nfs/dbraw/zinc/52/33/44/1048523344.db2.gz OFVCMCSHZQQGCD-CYBMUJFWSA-N 1 0 344.421 4.184 20 10 EICDRO C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815589943 1048526980 /nfs/dbraw/zinc/52/69/80/1048526980.db2.gz HSXXYHIDCYYQPD-LBPRGKRZSA-N 1 0 344.421 4.325 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(O)c1 ZINC000815597128 1048528956 /nfs/dbraw/zinc/52/89/56/1048528956.db2.gz NMZGXXMGEHOIAE-OAHLLOKOSA-N 1 0 327.424 4.021 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccccc2OC)c(O)c1 ZINC000809781324 1048531030 /nfs/dbraw/zinc/53/10/30/1048531030.db2.gz QHDVJNGAJLMHNJ-SFHVURJKSA-N 1 0 329.440 4.383 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000815598663 1048531604 /nfs/dbraw/zinc/53/16/04/1048531604.db2.gz ZTMWVFLZCRLCRL-IEBWSBKVSA-N 1 0 341.495 4.462 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000815619166 1048544210 /nfs/dbraw/zinc/54/42/10/1048544210.db2.gz FLDISOOOWGBPIG-INIZCTEOSA-N 1 0 339.357 4.192 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000844922597 1048548093 /nfs/dbraw/zinc/54/80/93/1048548093.db2.gz AZMCNIFRKKJDBQ-CQSZACIVSA-N 1 0 331.287 4.129 20 10 EICDRO CO[C@](C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815627770 1048554063 /nfs/dbraw/zinc/55/40/63/1048554063.db2.gz JAKRGGDTVKXFIH-RBBKRZOGSA-N 1 0 339.479 4.471 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C)cc1O ZINC000815637189 1048564743 /nfs/dbraw/zinc/56/47/43/1048564743.db2.gz PZBDTBOTACWZQY-OAHLLOKOSA-N 1 0 338.373 4.398 20 10 EICDRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccccc1O ZINC000810141736 1048646018 /nfs/dbraw/zinc/64/60/18/1048646018.db2.gz IUUNIPUCDCHTEH-UHFFFAOYSA-N 1 0 325.239 4.055 20 10 EICDRO COc1ccc(O)c(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)c1 ZINC000810145295 1048653873 /nfs/dbraw/zinc/65/38/73/1048653873.db2.gz YNBWMQAATKDQDY-LCYFTJDESA-N 1 0 349.377 4.195 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810215913 1048684458 /nfs/dbraw/zinc/68/44/58/1048684458.db2.gz ONQRGSRNBAIAPR-CYBMUJFWSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810217693 1048686375 /nfs/dbraw/zinc/68/63/75/1048686375.db2.gz ABGDDRFATZKIPW-DZGCQCFKSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220874 1048688213 /nfs/dbraw/zinc/68/82/13/1048688213.db2.gz GGKLKOCMHYMGOF-LNSITVRQSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@@H]([NH2+]CCc1cscn1)c1ccc(C(F)(F)F)cc1O ZINC000810223064 1048690957 /nfs/dbraw/zinc/69/09/57/1048690957.db2.gz HHEUJPOHSJOTKL-CYBMUJFWSA-N 1 0 330.375 4.151 20 10 EICDRO CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1O ZINC000810234667 1048700455 /nfs/dbraw/zinc/70/04/55/1048700455.db2.gz GGXSCKDEJXYACL-HIFRSBDPSA-N 1 0 331.378 4.411 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209961 1048706343 /nfs/dbraw/zinc/70/63/43/1048706343.db2.gz XSKJYFWJXYFSJN-ARFHVFGLSA-N 1 0 342.405 4.079 20 10 EICDRO CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810236795 1048718298 /nfs/dbraw/zinc/71/82/98/1048718298.db2.gz NKDSPLMMYBVATQ-KBPBESRZSA-N 1 0 343.345 4.168 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810236611 1048718692 /nfs/dbraw/zinc/71/86/92/1048718692.db2.gz JBKKEZQQBDYJEY-KGLIPLIRSA-N 1 0 345.386 4.247 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000810240828 1048725182 /nfs/dbraw/zinc/72/51/82/1048725182.db2.gz GRLZYIFLNRHCQO-JMSVASOKSA-N 1 0 331.378 4.124 20 10 EICDRO CCCOc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)ccc1OC ZINC000845972294 1048771837 /nfs/dbraw/zinc/77/18/37/1048771837.db2.gz MGTIEFRUWTZAQC-AWEZNQCLSA-N 1 0 345.439 4.049 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000845971059 1048772938 /nfs/dbraw/zinc/77/29/38/1048772938.db2.gz GYIUCXIFENACQP-UXLLHSPISA-N 1 0 326.440 4.173 20 10 EICDRO Oc1ccccc1C[NH2+]C1(c2ccccc2Br)CCC1 ZINC000845994568 1048794683 /nfs/dbraw/zinc/79/46/83/1048794683.db2.gz GRCCOIFZDRGPDQ-UHFFFAOYSA-N 1 0 332.241 4.324 20 10 EICDRO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816481713 1048812605 /nfs/dbraw/zinc/81/26/05/1048812605.db2.gz GNYFVGWJURJIGJ-UHFFFAOYSA-N 1 0 348.446 4.233 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)c1O ZINC000846135043 1048819954 /nfs/dbraw/zinc/81/99/54/1048819954.db2.gz AHTJLOPZQYIXPR-DYVFJYSZSA-N 1 0 348.874 4.008 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccccc2C(C)C)c1O ZINC000846150799 1048823567 /nfs/dbraw/zinc/82/35/67/1048823567.db2.gz OZYDHFCLDRZNGT-OAHLLOKOSA-N 1 0 329.440 4.254 20 10 EICDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846148354 1048823815 /nfs/dbraw/zinc/82/38/15/1048823815.db2.gz QNGGPIGDUKYTJY-GJZGRUSLSA-N 1 0 329.440 4.254 20 10 EICDRO Oc1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc2ccccc21 ZINC000816528548 1048824488 /nfs/dbraw/zinc/82/44/88/1048824488.db2.gz HUGNCQSZXQBBKI-LJQANCHMSA-N 1 0 336.435 4.065 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153229 1048824776 /nfs/dbraw/zinc/82/47/76/1048824776.db2.gz HZQXPSYSJXVBLL-MLGOLLRUSA-N 1 0 345.414 4.493 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)c1O ZINC000846156720 1048824905 /nfs/dbraw/zinc/82/49/05/1048824905.db2.gz HCNLHRQTGVFKTH-GFCCVEGCSA-N 1 0 333.378 4.061 20 10 EICDRO Oc1c(C[NH2+]Cc2ccccc2OC(F)F)ccc2ccccc21 ZINC000816531146 1048825115 /nfs/dbraw/zinc/82/51/15/1048825115.db2.gz HJOLBBBSTIASQP-UHFFFAOYSA-N 1 0 329.346 4.437 20 10 EICDRO Oc1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc2ccccc21 ZINC000816534969 1048825534 /nfs/dbraw/zinc/82/55/34/1048825534.db2.gz AQYLAIJIFAYRMI-KRWDZBQOSA-N 1 0 332.447 4.162 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C2(CCOCc3ccccc3)CC2)c1O ZINC000846159832 1048825692 /nfs/dbraw/zinc/82/56/92/1048825692.db2.gz KDADZAZUGGXLEK-MRXNPFEDSA-N 1 0 341.451 4.191 20 10 EICDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548466 1048827894 /nfs/dbraw/zinc/82/78/94/1048827894.db2.gz ITLQYXGMRDCQHX-LAUBAEHRSA-N 1 0 346.474 4.471 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c1O ZINC000846135417 1048829109 /nfs/dbraw/zinc/82/91/09/1048829109.db2.gz DBMNQTYLPIROQA-NSHDSACASA-N 1 0 341.329 4.150 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000846140713 1048830486 /nfs/dbraw/zinc/83/04/86/1048830486.db2.gz ZTWBNZLTKNCGMA-KGLIPLIRSA-N 1 0 345.439 4.138 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C(C)C)cc1 ZINC000846137999 1048831005 /nfs/dbraw/zinc/83/10/05/1048831005.db2.gz VXPJRSXFYNQFJB-LIRRHRJNSA-N 1 0 329.440 4.457 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000846142522 1048831723 /nfs/dbraw/zinc/83/17/23/1048831723.db2.gz VBSIUHDAQCWNBE-IRWQIABSSA-N 1 0 345.414 4.111 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2ccccc2C(F)(F)F)c1O ZINC000846143559 1048832236 /nfs/dbraw/zinc/83/22/36/1048832236.db2.gz JJVWRZYISJKEEN-GFCCVEGCSA-N 1 0 339.357 4.313 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208149 1048832481 /nfs/dbraw/zinc/83/24/81/1048832481.db2.gz WBPFJRGVVGQTCT-FXAWDEMLSA-N 1 0 349.478 4.377 20 10 EICDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000846209947 1048834557 /nfs/dbraw/zinc/83/45/57/1048834557.db2.gz JGTJZVZPWLMZEQ-SFHVURJKSA-N 1 0 330.516 4.270 20 10 EICDRO C[C@H](O)C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816556944 1048834739 /nfs/dbraw/zinc/83/47/39/1048834739.db2.gz YVELMJFNNCGTBR-OXJNMPFZSA-N 1 0 335.447 4.190 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846181925 1048835500 /nfs/dbraw/zinc/83/55/00/1048835500.db2.gz FXFDULFRWRPFIT-XWCIJXRUSA-N 1 0 337.822 4.266 20 10 EICDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559278 1048835587 /nfs/dbraw/zinc/83/55/87/1048835587.db2.gz DBFBJUHDRFAMRQ-XOBRGWDASA-N 1 0 339.410 4.286 20 10 EICDRO CC[C@@H](OCC[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846183982 1048836030 /nfs/dbraw/zinc/83/60/30/1048836030.db2.gz VURVAJJCGSUTMZ-MAUKXSAKSA-N 1 0 329.440 4.219 20 10 EICDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000846185488 1048836430 /nfs/dbraw/zinc/83/64/30/1048836430.db2.gz AGVDQIDHAMLXIE-LHSJRXKWSA-N 1 0 329.484 4.127 20 10 EICDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000816567928 1048837458 /nfs/dbraw/zinc/83/74/58/1048837458.db2.gz PMTUGUXTWFFPFG-IBGZPJMESA-N 1 0 333.431 4.201 20 10 EICDRO COCCC[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000921192916 1048873646 /nfs/dbraw/zinc/87/36/46/1048873646.db2.gz FSHLCOBQMQQTDI-UHFFFAOYSA-N 1 0 340.427 4.009 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)c1ccccc1O ZINC001170855437 1048902632 /nfs/dbraw/zinc/90/26/32/1048902632.db2.gz ZBICCYDIBRYALX-MLGOLLRUSA-N 1 0 346.268 4.363 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000847036142 1048977663 /nfs/dbraw/zinc/97/76/63/1048977663.db2.gz WAPIUUJGNBIAQJ-UHFFFAOYSA-N 1 0 346.478 4.075 20 10 EICDRO COc1ccc(N(CCc2ccc([N+](=O)[O-])cc2)CC(C)C)cc1 ZINC001171277528 1049024062 /nfs/dbraw/zinc/02/40/62/1049024062.db2.gz ORNPRPOGCLLPRY-UHFFFAOYSA-N 1 0 328.412 4.309 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1F ZINC000817956413 1049066420 /nfs/dbraw/zinc/06/64/20/1049066420.db2.gz YPKLUHXHPZCVJB-NSHDSACASA-N 1 0 337.236 4.064 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(Br)c(F)c1 ZINC000817956268 1049066585 /nfs/dbraw/zinc/06/65/85/1049066585.db2.gz VGZRPAIMJFVDEJ-LLVKDONJSA-N 1 0 337.236 4.064 20 10 EICDRO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000817962341 1049068573 /nfs/dbraw/zinc/06/85/73/1049068573.db2.gz IASUSLIBYRNJHH-NEPJUHHUSA-N 1 0 338.373 4.282 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966638 1049072281 /nfs/dbraw/zinc/07/22/81/1049072281.db2.gz SDTFNNUNRPGVCS-XJKSGUPXSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817967664 1049072340 /nfs/dbraw/zinc/07/23/40/1049072340.db2.gz AESDAGPAIYMIMB-SNVBAGLBSA-N 1 0 337.250 4.153 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000817975198 1049075761 /nfs/dbraw/zinc/07/57/61/1049075761.db2.gz JZODSMXSAIVMSA-GUYCJALGSA-N 1 0 326.440 4.236 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2O ZINC000817977459 1049077680 /nfs/dbraw/zinc/07/76/80/1049077680.db2.gz KRLDAJKMKOYBGW-PXAZEXFGSA-N 1 0 326.415 4.228 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817987230 1049079203 /nfs/dbraw/zinc/07/92/03/1049079203.db2.gz RCLFYTMYJBQVNF-IQDSPRDJSA-N 1 0 343.298 4.128 20 10 EICDRO COc1ccc(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)c(O)c1 ZINC000811499559 1049111663 /nfs/dbraw/zinc/11/16/63/1049111663.db2.gz PQMVIZAQWPKEQU-LCYFTJDESA-N 1 0 349.377 4.195 20 10 EICDRO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000811511510 1049122666 /nfs/dbraw/zinc/12/26/66/1049122666.db2.gz KTCQBWICYKPUBA-HNNXBMFYSA-N 1 0 347.405 4.448 20 10 EICDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513491 1049125808 /nfs/dbraw/zinc/12/58/08/1049125808.db2.gz ZVXYONJAFVIBHQ-LLVKDONJSA-N 1 0 336.348 4.249 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C2)cc1 ZINC000818342772 1049135149 /nfs/dbraw/zinc/13/51/49/1049135149.db2.gz VMJVQDZDOARSJL-GJZGRUSLSA-N 1 0 344.421 4.232 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C)s3)C2)cc1 ZINC000818345929 1049138526 /nfs/dbraw/zinc/13/85/26/1049138526.db2.gz YFNBKKVXVOCTNU-JKSUJKDBSA-N 1 0 330.497 4.242 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C(C)C ZINC000811789498 1049277319 /nfs/dbraw/zinc/27/73/19/1049277319.db2.gz CYAKVMXVWKNQTB-VQTJNVASSA-N 1 0 329.484 4.358 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc2c(c1)OCCO2 ZINC000772998363 1049501656 /nfs/dbraw/zinc/50/16/56/1049501656.db2.gz KHSVAYPKNPIUCF-SFHVURJKSA-N 1 0 340.467 4.073 20 10 EICDRO [NH3+][C@H]1Cc2ccc(Nc3ccc(NCc4ccccc4)cc3)cc2C1 ZINC001159833098 1049538789 /nfs/dbraw/zinc/53/87/89/1049538789.db2.gz SCAUINMEVWTCKM-IBGZPJMESA-N 1 0 329.447 4.468 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000812735649 1049553891 /nfs/dbraw/zinc/55/38/91/1049553891.db2.gz DVSFTBJNCZLYOL-IRXDYDNUSA-N 1 0 342.458 4.325 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cncc(C(F)(F)F)c2)C2CC2)cc1 ZINC000812823589 1049584355 /nfs/dbraw/zinc/58/43/55/1049584355.db2.gz FWBMFBXADGAKOD-UHFFFAOYSA-N 1 0 349.400 4.331 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000812821875 1049584634 /nfs/dbraw/zinc/58/46/34/1049584634.db2.gz RYVVPJNKRSPWLM-JOCHJYFZSA-N 1 0 336.479 4.331 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@@H]1CCCO1 ZINC000773107569 1049585937 /nfs/dbraw/zinc/58/59/37/1049585937.db2.gz XRURKNAPIRHDBG-QSFXBCCZSA-N 1 0 334.479 4.424 20 10 EICDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(Cl)nc3)CC1)CCC2 ZINC000773251599 1049672080 /nfs/dbraw/zinc/67/20/80/1049672080.db2.gz JPNPNUSVCZJUIN-UHFFFAOYSA-N 1 0 340.854 4.219 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773255405 1049674556 /nfs/dbraw/zinc/67/45/56/1049674556.db2.gz AKVBBGATRAVCNN-IAGOWNOFSA-N 1 0 325.452 4.184 20 10 EICDRO Fc1cc2c(cc1F)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001171447871 1049702452 /nfs/dbraw/zinc/70/24/52/1049702452.db2.gz HMYFAFZKZAGJEV-SFHVURJKSA-N 1 0 342.433 4.212 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462859 1049714489 /nfs/dbraw/zinc/71/44/89/1049714489.db2.gz KRPCHVKNKQLTBT-SFHVURJKSA-N 1 0 339.385 4.471 20 10 EICDRO Oc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000813334240 1049754570 /nfs/dbraw/zinc/75/45/70/1049754570.db2.gz AVFNNTUEKSDEGP-UHFFFAOYSA-N 1 0 327.355 4.032 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000813882915 1049831482 /nfs/dbraw/zinc/83/14/82/1049831482.db2.gz AFYSZQIIVXAGFI-JSGCOSHPSA-N 1 0 334.822 4.114 20 10 EICDRO C[N@H+](Cc1cc2cccnc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000823372161 1049841528 /nfs/dbraw/zinc/84/15/28/1049841528.db2.gz ZEHXOPWQPOYDIS-UHFFFAOYSA-N 1 0 335.451 4.450 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115720 1049859321 /nfs/dbraw/zinc/85/93/21/1049859321.db2.gz ZHJFMYNWQJKKBI-OPOADAIRSA-N 1 0 342.527 4.237 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1F ZINC000823736969 1049871845 /nfs/dbraw/zinc/87/18/45/1049871845.db2.gz QOGBBTJTSGNOQP-UHFFFAOYSA-N 1 0 334.479 4.252 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)CC1 ZINC000823837158 1049879506 /nfs/dbraw/zinc/87/95/06/1049879506.db2.gz QHHNXVURLLOULT-UHFFFAOYSA-N 1 0 347.865 4.400 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000823851598 1049881466 /nfs/dbraw/zinc/88/14/66/1049881466.db2.gz QRIKQEMPJGEHSP-UHFFFAOYSA-N 1 0 329.831 4.145 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000772876748 1049883161 /nfs/dbraw/zinc/88/31/61/1049883161.db2.gz FLHDIDMGLQRROV-AWEZNQCLSA-N 1 0 336.426 4.179 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000823937532 1049889301 /nfs/dbraw/zinc/88/93/01/1049889301.db2.gz BIJZTDGKWCETLN-UHFFFAOYSA-N 1 0 343.521 4.173 20 10 EICDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824002278 1049889775 /nfs/dbraw/zinc/88/97/75/1049889775.db2.gz FTLIOKIGJKDNTO-SJLPKXTDSA-N 1 0 344.524 4.289 20 10 EICDRO COCCC1(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824012284 1049890843 /nfs/dbraw/zinc/89/08/43/1049890843.db2.gz UROUTLODKKIHEN-UHFFFAOYSA-N 1 0 344.524 4.291 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000180416032 1049895150 /nfs/dbraw/zinc/89/51/50/1049895150.db2.gz BYWXSWJRTLAMPE-OAQYLSRUSA-N 1 0 348.494 4.394 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716050 1049932192 /nfs/dbraw/zinc/93/21/92/1049932192.db2.gz FNWYHEWQUQQOLR-RBUKOAKNSA-N 1 0 328.431 4.456 20 10 EICDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cccc(O)c1O ZINC001172578762 1049951647 /nfs/dbraw/zinc/95/16/47/1049951647.db2.gz RKDONNYARWXRNC-JTQLQIEISA-N 1 0 341.785 4.140 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325860 1050098484 /nfs/dbraw/zinc/09/84/84/1050098484.db2.gz VRMNMOLDAKYVJV-IFXJQAMLSA-N 1 0 328.431 4.456 20 10 EICDRO Cc1cccc(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)c1O ZINC000691784699 1050141895 /nfs/dbraw/zinc/14/18/95/1050141895.db2.gz IKNFXFKSQQREKG-UHFFFAOYSA-N 1 0 342.439 4.337 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)cc1 ZINC001177176030 1050164079 /nfs/dbraw/zinc/16/40/79/1050164079.db2.gz UWYLVRWGHBMPRZ-FQEVSTJZSA-N 1 0 346.421 4.280 20 10 EICDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001177464628 1050214519 /nfs/dbraw/zinc/21/45/19/1050214519.db2.gz SIMRMGAFYBZZJE-VQFGERMISA-N 1 0 338.495 4.440 20 10 EICDRO Cc1c2ccccc2n(C)c1CNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001177492032 1050230342 /nfs/dbraw/zinc/23/03/42/1050230342.db2.gz MAMZMNIKGWRAOR-IAGOWNOFSA-N 1 0 341.543 4.333 20 10 EICDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001177554430 1050240390 /nfs/dbraw/zinc/24/03/90/1050240390.db2.gz XQFUTSTWXPALSR-UHFFFAOYSA-N 1 0 330.447 4.360 20 10 EICDRO CC(C)n1c2ccccc2nc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001177529974 1050242914 /nfs/dbraw/zinc/24/29/14/1050242914.db2.gz XDYVDCGPCQRQEH-UHFFFAOYSA-N 1 0 348.494 4.289 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041544 1050269516 /nfs/dbraw/zinc/26/95/16/1050269516.db2.gz BTTPTXYWCYJGKP-UHFFFAOYSA-N 1 0 325.452 4.374 20 10 EICDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Br)ccc1O ZINC001203635822 1050288397 /nfs/dbraw/zinc/28/83/97/1050288397.db2.gz HHLHOMCVIIIQAX-LBPRGKRZSA-N 1 0 332.241 4.274 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC001177737068 1050289067 /nfs/dbraw/zinc/28/90/67/1050289067.db2.gz JLCLIXHGKJDISP-UHFFFAOYSA-N 1 0 342.886 4.321 20 10 EICDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001204205317 1050309532 /nfs/dbraw/zinc/30/95/32/1050309532.db2.gz RGEILJXNEHVOGX-INIZCTEOSA-N 1 0 331.843 4.084 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC001177871251 1050311113 /nfs/dbraw/zinc/31/11/13/1050311113.db2.gz RWUXPLKWNWPBHN-QFIPXVFZSA-N 1 0 340.511 4.310 20 10 EICDRO COc1ccc(C[NH2+]C[C@H](C)c2cccc(C)c2)cc1Cn1cccn1 ZINC001177897120 1050322301 /nfs/dbraw/zinc/32/23/01/1050322301.db2.gz GIJDWAWUXUZVFG-SFHVURJKSA-N 1 0 349.478 4.142 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCc2ncsc2C1 ZINC001173131803 1050323062 /nfs/dbraw/zinc/32/30/62/1050323062.db2.gz DWEUTMQNUOGTQO-DJJJIMSYSA-N 1 0 342.508 4.236 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181964822 1050398394 /nfs/dbraw/zinc/39/83/94/1050398394.db2.gz NSYOEJDQHXICJS-MRXNPFEDSA-N 1 0 339.483 4.342 20 10 EICDRO COC(=O)CCCC[C@H](C)[NH2+][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001173449803 1050466240 /nfs/dbraw/zinc/46/62/40/1050466240.db2.gz WEKLRRSHDSBQHL-YWZLYKJASA-N 1 0 347.499 4.344 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000773753368 1050509417 /nfs/dbraw/zinc/50/94/17/1050509417.db2.gz HSVPKESLZQCUFR-RTBURBONSA-N 1 0 344.524 4.292 20 10 EICDRO CCN(C)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000773772776 1050572963 /nfs/dbraw/zinc/57/29/63/1050572963.db2.gz JUYAFANMERXYSM-UHFFFAOYSA-N 1 0 342.458 4.077 20 10 EICDRO CCCN(Cc1ccc(OC)c(COCC)c1)c1ccc(C[NH3+])cc1 ZINC000775135655 1050589865 /nfs/dbraw/zinc/58/98/65/1050589865.db2.gz JVBPEZAOKOHDMC-UHFFFAOYSA-N 1 0 342.483 4.107 20 10 EICDRO FC(F)(F)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775137860 1050595020 /nfs/dbraw/zinc/59/50/20/1050595020.db2.gz QXPOKAWFRAHMPS-INIZCTEOSA-N 1 0 326.406 4.451 20 10 EICDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1Cl ZINC000763517977 1050616017 /nfs/dbraw/zinc/61/60/17/1050616017.db2.gz VXTZCHDGDLRVCD-INIZCTEOSA-N 1 0 326.223 4.176 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001179052934 1050617386 /nfs/dbraw/zinc/61/73/86/1050617386.db2.gz IJNZJEOSACWPPT-KXOMFBTKSA-N 1 0 349.522 4.020 20 10 EICDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179085890 1050630088 /nfs/dbraw/zinc/63/00/88/1050630088.db2.gz HXMJSRKWPZEWNP-UZLBHIALSA-N 1 0 338.520 4.233 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C(C)(C)C)oc3C)C2)cc1 ZINC001179128678 1050637761 /nfs/dbraw/zinc/63/77/61/1050637761.db2.gz CSLDZIGIEDKYNK-KRWDZBQOSA-N 1 0 342.483 4.263 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000182407351 1050648828 /nfs/dbraw/zinc/64/88/28/1050648828.db2.gz YDNIINVHFMHSJE-GFCCVEGCSA-N 1 0 342.370 4.046 20 10 EICDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000763532920 1050728526 /nfs/dbraw/zinc/72/85/26/1050728526.db2.gz XKQUSVPARSLPDR-AZUAARDMSA-N 1 0 330.516 4.360 20 10 EICDRO Cl/C=C/C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001179747322 1050770557 /nfs/dbraw/zinc/77/05/57/1050770557.db2.gz KFPAZGVPDOLHHL-QPJJXVBHSA-N 1 0 343.696 4.282 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)ccc1N(C)C ZINC001179829330 1050801928 /nfs/dbraw/zinc/80/19/28/1050801928.db2.gz BVWUESFUCFSUBR-AWEZNQCLSA-N 1 0 328.431 4.068 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1O ZINC001179878252 1050814730 /nfs/dbraw/zinc/81/47/30/1050814730.db2.gz NQAMFEXPNHZZAE-VQIMIIECSA-N 1 0 325.452 4.335 20 10 EICDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(CC)CC ZINC001179950744 1050828567 /nfs/dbraw/zinc/82/85/67/1050828567.db2.gz HFFWAKJYCLSIGH-DLBZAZTESA-N 1 0 327.415 4.086 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)cc1F ZINC001179974704 1050838053 /nfs/dbraw/zinc/83/80/53/1050838053.db2.gz QGEWSRIMRGUKQE-QGZVFWFLSA-N 1 0 342.458 4.150 20 10 EICDRO C[C@H](C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O)c1nccs1 ZINC000182840370 1050846947 /nfs/dbraw/zinc/84/69/47/1050846947.db2.gz WWNQPLSHJPSJGO-GFCCVEGCSA-N 1 0 334.485 4.087 20 10 EICDRO Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077235 1050875291 /nfs/dbraw/zinc/87/52/91/1050875291.db2.gz OCNPRRCWLXYCCY-SJKOYZFVSA-N 1 0 337.872 4.378 20 10 EICDRO CCC[N@H+](CCc1cccc(F)c1)Cc1c(C)cc(OC)cc1O ZINC001180133233 1050880763 /nfs/dbraw/zinc/88/07/63/1050880763.db2.gz SFIYCJFWIJBSAK-UHFFFAOYSA-N 1 0 331.431 4.303 20 10 EICDRO Oc1c(C[N@@H+]2CCc3c(F)cc(F)cc3C2)ccc2ccccc21 ZINC001180219739 1050919789 /nfs/dbraw/zinc/91/97/89/1050919789.db2.gz USUCYAPJGSSXME-UHFFFAOYSA-N 1 0 325.358 4.382 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)c1O ZINC001180345316 1050961389 /nfs/dbraw/zinc/96/13/89/1050961389.db2.gz UXIIZACBBRUUCL-BFUOFWGJSA-N 1 0 333.859 4.474 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180348890 1050961626 /nfs/dbraw/zinc/96/16/26/1050961626.db2.gz FJGHHOBGFROLPT-YJBOKZPZSA-N 1 0 344.886 4.046 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC001180393267 1050979998 /nfs/dbraw/zinc/97/99/98/1050979998.db2.gz MXOIDWATUCQMMR-PLNGDYQASA-N 1 0 349.272 4.253 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC001180697569 1051064827 /nfs/dbraw/zinc/06/48/27/1051064827.db2.gz IIIDFMNNEKMLAK-LJQANCHMSA-N 1 0 344.524 4.120 20 10 EICDRO C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183504348 1051137612 /nfs/dbraw/zinc/13/76/12/1051137612.db2.gz HPLHTCLQQNTFER-CVEARBPZSA-N 1 0 348.487 4.080 20 10 EICDRO COc1cc(C[N@H+](Cc2cc(C(C)C)ccc2O)C2CC2)ccc1O ZINC001181085818 1051143710 /nfs/dbraw/zinc/14/37/10/1051143710.db2.gz GFXKLWDZHMDYLR-UHFFFAOYSA-N 1 0 341.451 4.394 20 10 EICDRO CCCC[N@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1O ZINC001181185410 1051172977 /nfs/dbraw/zinc/17/29/77/1051172977.db2.gz RECPIDXRCMBLOS-UHFFFAOYSA-N 1 0 341.499 4.434 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CCCOc2cccc(C)c2C)c1O ZINC001181390789 1051224726 /nfs/dbraw/zinc/22/47/26/1051224726.db2.gz KRCUGLLCEONKEC-UHFFFAOYSA-N 1 0 349.858 4.230 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000775416794 1051293178 /nfs/dbraw/zinc/29/31/78/1051293178.db2.gz XWZXJECCZYKMIC-NVXWUHKLSA-N 1 0 340.250 4.473 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1O ZINC001182043160 1051380092 /nfs/dbraw/zinc/38/00/92/1051380092.db2.gz GUGMOJKTSMRTQM-KRWDZBQOSA-N 1 0 331.843 4.338 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001182425125 1051544143 /nfs/dbraw/zinc/54/41/43/1051544143.db2.gz ZNPPXHPXQCRVMO-SFHVURJKSA-N 1 0 344.543 4.321 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483562 1051555222 /nfs/dbraw/zinc/55/52/22/1051555222.db2.gz YFWKUTPLHPJUFA-CYBMUJFWSA-N 1 0 333.303 4.328 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1O ZINC000775485679 1051557758 /nfs/dbraw/zinc/55/77/58/1051557758.db2.gz ZBUYTLBIZQYBOU-AWEZNQCLSA-N 1 0 337.366 4.243 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1cc(Cl)ccc1O ZINC000775485583 1051558494 /nfs/dbraw/zinc/55/84/94/1051558494.db2.gz XDCLPWATBSSGKF-MRXNPFEDSA-N 1 0 335.831 4.304 20 10 EICDRO CCCCn1cc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774472254 1051603522 /nfs/dbraw/zinc/60/35/22/1051603522.db2.gz NDQUJPTYGSLZMD-HXUWFJFHSA-N 1 0 328.504 4.299 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775497788 1051617517 /nfs/dbraw/zinc/61/75/17/1051617517.db2.gz UEHWPGWMQDLXID-CABZTGNLSA-N 1 0 325.758 4.054 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775497787 1051617937 /nfs/dbraw/zinc/61/79/37/1051617937.db2.gz UEHWPGWMQDLXID-BXKDBHETSA-N 1 0 325.758 4.054 20 10 EICDRO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Cl)ccc1O ZINC000775498010 1051618549 /nfs/dbraw/zinc/61/85/49/1051618549.db2.gz VXCVWSOBIJVIPO-HNNXBMFYSA-N 1 0 329.831 4.136 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Cl)ccc1O ZINC000775497417 1051620820 /nfs/dbraw/zinc/62/08/20/1051620820.db2.gz QGEYJTVLMPBKFW-INIZCTEOSA-N 1 0 336.838 4.492 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)C2)cc1 ZINC001182508337 1051621296 /nfs/dbraw/zinc/62/12/96/1051621296.db2.gz LMMIHTQDSWJHKL-HLIPFELVSA-N 1 0 330.516 4.326 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775501757 1051632096 /nfs/dbraw/zinc/63/20/96/1051632096.db2.gz KWSFCWGWYIGAFE-OAHLLOKOSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cc(Cl)ccc1O ZINC000775500784 1051636961 /nfs/dbraw/zinc/63/69/61/1051636961.db2.gz LBRAHYNRWILKOU-CQSZACIVSA-N 1 0 337.851 4.226 20 10 EICDRO CC[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1O ZINC000775511423 1051658147 /nfs/dbraw/zinc/65/81/47/1051658147.db2.gz FPPHGSIVHOPUTA-HZMBPMFUSA-N 1 0 340.876 4.450 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775525225 1051706099 /nfs/dbraw/zinc/70/60/99/1051706099.db2.gz IYSWSWFRIQUDJI-SJLPKXTDSA-N 1 0 337.822 4.133 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@@H](O)c1c(F)cccc1F ZINC000775524530 1051709355 /nfs/dbraw/zinc/70/93/55/1051709355.db2.gz BJZMKVSPHWTXMN-FRQCXROJSA-N 1 0 335.394 4.223 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1O ZINC001182845738 1051715562 /nfs/dbraw/zinc/71/55/62/1051715562.db2.gz WKQKQXOFCLFLOP-UHFFFAOYSA-N 1 0 326.223 4.306 20 10 EICDRO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775545564 1051809286 /nfs/dbraw/zinc/80/92/86/1051809286.db2.gz AERYDIXEZNNHIE-AWEZNQCLSA-N 1 0 345.314 4.472 20 10 EICDRO CCC[N@H+](Cc1cc(OC)c(C)cc1O)[C@@H]1CCCc2cccnc21 ZINC000774606388 1051810889 /nfs/dbraw/zinc/81/08/89/1051810889.db2.gz ZENHDWDJBOLVFN-GOSISDBHSA-N 1 0 340.467 4.394 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC001183337328 1051830758 /nfs/dbraw/zinc/83/07/58/1051830758.db2.gz VLEKYCJMFLBHBN-QGZVFWFLSA-N 1 0 343.492 4.204 20 10 EICDRO CC[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775557696 1051839085 /nfs/dbraw/zinc/83/90/85/1051839085.db2.gz HIAQSIIAGFEJBG-CQSZACIVSA-N 1 0 329.831 4.173 20 10 EICDRO COC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCCCC1 ZINC000775564008 1051865883 /nfs/dbraw/zinc/86/58/83/1051865883.db2.gz YBJPDRMPSNCULN-LBPRGKRZSA-N 1 0 342.277 4.155 20 10 EICDRO CCc1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccccn2)c1O ZINC001184154174 1051954399 /nfs/dbraw/zinc/95/43/99/1051954399.db2.gz PIXGUTZCKJYOAP-OAQYLSRUSA-N 1 0 332.447 4.423 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC001184338514 1051995821 /nfs/dbraw/zinc/99/58/21/1051995821.db2.gz MRZICUCFZZERPD-CABCVRRESA-N 1 0 331.843 4.023 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1O ZINC001184389206 1052001880 /nfs/dbraw/zinc/00/18/80/1052001880.db2.gz WJEOLBXNYJPHHB-CZUORRHYSA-N 1 0 338.289 4.379 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532870 1052115502 /nfs/dbraw/zinc/11/55/02/1052115502.db2.gz NPBBFYMPWUTBNM-KGVIQGDOSA-N 1 0 338.495 4.493 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cn1cccn1 ZINC001177098599 1052231092 /nfs/dbraw/zinc/23/10/92/1052231092.db2.gz OAVFVSCUMDGJBI-GOSISDBHSA-N 1 0 349.478 4.051 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c1 ZINC000184835760 1052246118 /nfs/dbraw/zinc/24/61/18/1052246118.db2.gz HVNLGJUXPADZTD-DOTOQJQBSA-N 1 0 330.497 4.250 20 10 EICDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000774881675 1052250469 /nfs/dbraw/zinc/25/04/69/1052250469.db2.gz VSEVLPHHRKRXMJ-UHFFFAOYSA-N 1 0 348.487 4.052 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCCCOCCc2ccccc2)c(O)c1 ZINC000185072935 1052392071 /nfs/dbraw/zinc/39/20/71/1052392071.db2.gz RJDVMTRGNVYQLW-GOSISDBHSA-N 1 0 327.468 4.391 20 10 EICDRO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc2ccccc2c1O ZINC000185091096 1052409343 /nfs/dbraw/zinc/40/93/43/1052409343.db2.gz GOHYIZYHWOHXMY-HNNXBMFYSA-N 1 0 340.467 4.035 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1 ZINC000185111722 1052436283 /nfs/dbraw/zinc/43/62/83/1052436283.db2.gz HLYCJDNVHNKWCB-MRXNPFEDSA-N 1 0 338.451 4.068 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)c1 ZINC000185127312 1052447710 /nfs/dbraw/zinc/44/77/10/1052447710.db2.gz WKUCFRDCAOXNKP-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000185128653 1052449117 /nfs/dbraw/zinc/44/91/17/1052449117.db2.gz QBNLHJAQNSBLAC-CVEARBPZSA-N 1 0 328.431 4.017 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000185157354 1052494617 /nfs/dbraw/zinc/49/46/17/1052494617.db2.gz HFBAULBZGABDHW-KBPBESRZSA-N 1 0 342.414 4.070 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc2ccccc2c1O ZINC000185162669 1052497123 /nfs/dbraw/zinc/49/71/23/1052497123.db2.gz YJSKLTANIOVMED-ORAYPTAESA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c(O)c1 ZINC000185169935 1052508310 /nfs/dbraw/zinc/50/83/10/1052508310.db2.gz KDZDJLYFJLJRMT-OAHLLOKOSA-N 1 0 326.465 4.156 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(O)c1 ZINC000185245770 1052549385 /nfs/dbraw/zinc/54/93/85/1052549385.db2.gz GCEKYLBHMQMYCH-IRXDYDNUSA-N 1 0 344.524 4.325 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1 ZINC000185318413 1052580179 /nfs/dbraw/zinc/58/01/79/1052580179.db2.gz COWVBULWAUEZFZ-AWEZNQCLSA-N 1 0 330.497 4.319 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000131184726 1052592065 /nfs/dbraw/zinc/59/20/65/1052592065.db2.gz YDTRFQBAQULUFZ-INIZCTEOSA-N 1 0 331.843 4.084 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(-n2cccn2)c1 ZINC000185617195 1052661819 /nfs/dbraw/zinc/66/18/19/1052661819.db2.gz MYYYZXWOKOPIMI-KGLIPLIRSA-N 1 0 325.387 4.129 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccc(C)o1 ZINC000185630760 1052662218 /nfs/dbraw/zinc/66/22/18/1052662218.db2.gz KEBURQOQHAEHBN-RDTXWAMCSA-N 1 0 329.440 4.211 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1O ZINC000186106130 1052880880 /nfs/dbraw/zinc/88/08/80/1052880880.db2.gz OFPWXFGZDYSOPB-OAQYLSRUSA-N 1 0 338.495 4.140 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000119642147 1053081673 /nfs/dbraw/zinc/08/16/73/1053081673.db2.gz WEHJQZFRWDYNAS-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO COc1cc(C[NH2+]C[C@H](C)c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000850246075 1053097521 /nfs/dbraw/zinc/09/75/21/1053097521.db2.gz CJAXBBISGBYYGF-LBPRGKRZSA-N 1 0 334.485 4.048 20 10 EICDRO COc1cc(C[NH2+]CC(C)(C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000850313086 1053113004 /nfs/dbraw/zinc/11/30/04/1053113004.db2.gz NWSKFUXYVZEKRB-UHFFFAOYSA-N 1 0 342.483 4.161 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1F ZINC000864052964 1053196368 /nfs/dbraw/zinc/19/63/68/1053196368.db2.gz CKXUMNFFNLJHMB-UHFFFAOYSA-N 1 0 340.458 4.247 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000850430120 1053205549 /nfs/dbraw/zinc/20/55/49/1053205549.db2.gz NQQNYPCHXQKVJF-QGZVFWFLSA-N 1 0 336.426 4.179 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000764635676 1053241977 /nfs/dbraw/zinc/24/19/77/1053241977.db2.gz LTECYMLOWSNTER-GOSISDBHSA-N 1 0 330.859 4.410 20 10 EICDRO CC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000764640347 1053245244 /nfs/dbraw/zinc/24/52/44/1053245244.db2.gz VOCUOKLIUOBTDP-LJQANCHMSA-N 1 0 336.483 4.233 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850474745 1053249721 /nfs/dbraw/zinc/24/97/21/1053249721.db2.gz QDSJZZLHGTWZLO-CVEARBPZSA-N 1 0 337.467 4.484 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850474751 1053250399 /nfs/dbraw/zinc/25/03/99/1053250399.db2.gz QDSJZZLHGTWZLO-JKSUJKDBSA-N 1 0 337.467 4.484 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000850482034 1053254121 /nfs/dbraw/zinc/25/41/21/1053254121.db2.gz MDJXAEDGMXIETH-WFASDCNBSA-N 1 0 349.272 4.394 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)C2)cc1 ZINC000850485843 1053254933 /nfs/dbraw/zinc/25/49/33/1053254933.db2.gz BQFQHHXFEOMSHI-QGWWYQLQSA-N 1 0 342.508 4.117 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)cc1 ZINC000850488782 1053255540 /nfs/dbraw/zinc/25/55/40/1053255540.db2.gz OSJGBOFIWGEWGQ-HUUCEWRRSA-N 1 0 345.512 4.205 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3nccc4ccccc43)C2)cc1 ZINC000850488547 1053255831 /nfs/dbraw/zinc/25/58/31/1053255831.db2.gz TXQANXQJKUHIDN-SJLPKXTDSA-N 1 0 347.462 4.173 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000850489639 1053258802 /nfs/dbraw/zinc/25/88/02/1053258802.db2.gz WEENJTQZSSDBBI-GOEBONIOSA-N 1 0 338.442 4.078 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1 ZINC000850504968 1053265427 /nfs/dbraw/zinc/26/54/27/1053265427.db2.gz JDEKLFDFRMQNFO-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000850505417 1053266601 /nfs/dbraw/zinc/26/66/01/1053266601.db2.gz RKMVFDBFMQCBHP-CQSZACIVSA-N 1 0 341.451 4.139 20 10 EICDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000764742652 1053285155 /nfs/dbraw/zinc/28/51/55/1053285155.db2.gz AIVBUHYRRVVSPR-XMSQKQJNSA-N 1 0 337.511 4.240 20 10 EICDRO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc2c(cc1O)CCCC2 ZINC000850549789 1053306390 /nfs/dbraw/zinc/30/63/90/1053306390.db2.gz JYJYOLRRBCJQGN-AWEZNQCLSA-N 1 0 339.483 4.123 20 10 EICDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)n1 ZINC000850552115 1053306882 /nfs/dbraw/zinc/30/68/82/1053306882.db2.gz XAPZHRRTMIWMSC-SFHVURJKSA-N 1 0 338.499 4.059 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1O ZINC000850553594 1053307603 /nfs/dbraw/zinc/30/76/03/1053307603.db2.gz ZHGWHWXGTSIVAM-PRHODGIISA-N 1 0 334.204 4.097 20 10 EICDRO CCSC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000850552295 1053307757 /nfs/dbraw/zinc/30/77/57/1053307757.db2.gz LTXALBGBSAJMJE-SNVBAGLBSA-N 1 0 330.291 4.091 20 10 EICDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764774775 1053309042 /nfs/dbraw/zinc/30/90/42/1053309042.db2.gz RCQNHEASCVBRCR-CABCVRRESA-N 1 0 348.874 4.051 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850557252 1053311686 /nfs/dbraw/zinc/31/16/86/1053311686.db2.gz NOKMBBGUHOINBV-DOTOQJQBSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850557259 1053313292 /nfs/dbraw/zinc/31/32/92/1053313292.db2.gz NOKMBBGUHOINBV-WBVHZDCISA-N 1 0 340.250 4.473 20 10 EICDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cs1 ZINC000764827371 1053317349 /nfs/dbraw/zinc/31/73/49/1053317349.db2.gz MIZBMLDPQHKAQY-OAHLLOKOSA-N 1 0 329.513 4.335 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(C)cc1 ZINC000850567256 1053320987 /nfs/dbraw/zinc/32/09/87/1053320987.db2.gz YTIAMYAVGVAZIW-JOCHJYFZSA-N 1 0 338.495 4.197 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000850567923 1053321938 /nfs/dbraw/zinc/32/19/38/1053321938.db2.gz MGFHWPQDTSLUDH-NRFANRHFSA-N 1 0 342.458 4.028 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000850570197 1053324812 /nfs/dbraw/zinc/32/48/12/1053324812.db2.gz FSKZVWSTZHXMFH-JSGCOSHPSA-N 1 0 331.378 4.267 20 10 EICDRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1F ZINC000850722836 1053343880 /nfs/dbraw/zinc/34/38/80/1053343880.db2.gz SANRZPHFXYQAID-IAGOWNOFSA-N 1 0 341.390 4.005 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000764900438 1053365132 /nfs/dbraw/zinc/36/51/32/1053365132.db2.gz AXABDUFXRSSUDE-SFHVURJKSA-N 1 0 346.478 4.323 20 10 EICDRO Cc1cccc(C[N@H+](C)Cc2cc(Br)ccc2F)c1O ZINC000775649190 1053367302 /nfs/dbraw/zinc/36/73/02/1053367302.db2.gz MGWPDISSIWOEJP-UHFFFAOYSA-N 1 0 338.220 4.234 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1O ZINC000776496536 1053372570 /nfs/dbraw/zinc/37/25/70/1053372570.db2.gz AUXHFPOWTZLGIY-HNNXBMFYSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1O ZINC000794795016 1053378757 /nfs/dbraw/zinc/37/87/57/1053378757.db2.gz OAWGBVCHZKOGAS-MOPGFXCFSA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1O ZINC000794792613 1053386214 /nfs/dbraw/zinc/38/62/14/1053386214.db2.gz GKHSTOMKISLCNQ-OAQYLSRUSA-N 1 0 338.495 4.406 20 10 EICDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775653986 1053386639 /nfs/dbraw/zinc/38/66/39/1053386639.db2.gz QCJPFTPDSASGMK-QGZVFWFLSA-N 1 0 329.440 4.383 20 10 EICDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803563 1053394563 /nfs/dbraw/zinc/39/45/63/1053394563.db2.gz ALJIFFYBZYPPII-FQEVSTJZSA-N 1 0 343.467 4.357 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C)cc1O ZINC000794804059 1053396638 /nfs/dbraw/zinc/39/66/38/1053396638.db2.gz LVKZEKDURGJFJQ-QAPCUYQASA-N 1 0 344.524 4.250 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C)cc1O ZINC000794814429 1053422051 /nfs/dbraw/zinc/42/20/51/1053422051.db2.gz LEPBQVRGDIIJBW-JLJPHGGASA-N 1 0 345.405 4.225 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C)cc1O ZINC000794811935 1053427497 /nfs/dbraw/zinc/42/74/97/1053427497.db2.gz ALKXUCJUYCKQTC-NBHGPNQESA-N 1 0 326.484 4.433 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1O ZINC000794817711 1053431606 /nfs/dbraw/zinc/43/16/06/1053431606.db2.gz VDCSQXMZDVIFKD-MJGOQNOKSA-N 1 0 333.859 4.302 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000794822823 1053438046 /nfs/dbraw/zinc/43/80/46/1053438046.db2.gz CNRRDABQXYXPKL-PKOBYXMFSA-N 1 0 327.468 4.389 20 10 EICDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765080249 1053438706 /nfs/dbraw/zinc/43/87/06/1053438706.db2.gz NCJNXBWMUHQKJS-HNNXBMFYSA-N 1 0 338.586 4.250 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765147436 1053450695 /nfs/dbraw/zinc/45/06/95/1053450695.db2.gz PACAQCCKSDFAEM-UTKZUKDTSA-N 1 0 329.532 4.058 20 10 EICDRO CC(C)(C)c1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000765252784 1053478133 /nfs/dbraw/zinc/47/81/33/1053478133.db2.gz DIEZCTACKWZATJ-WMLDXEAASA-N 1 0 331.500 4.014 20 10 EICDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765288179 1053494079 /nfs/dbraw/zinc/49/40/79/1053494079.db2.gz VSBSBJYCOLLTHP-AZUAARDMSA-N 1 0 348.506 4.091 20 10 EICDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000765362168 1053516030 /nfs/dbraw/zinc/51/60/30/1053516030.db2.gz FEACOTRHNJKMLG-CYBMUJFWSA-N 1 0 348.384 4.046 20 10 EICDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765362788 1053518682 /nfs/dbraw/zinc/51/86/82/1053518682.db2.gz LESILVUGZUBOIT-OAHLLOKOSA-N 1 0 344.421 4.297 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391429 1053527561 /nfs/dbraw/zinc/52/75/61/1053527561.db2.gz FLVCXQUXGPBNDM-AUUYWEPGSA-N 1 0 328.431 4.456 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000765446076 1053550975 /nfs/dbraw/zinc/55/09/75/1053550975.db2.gz QITAHLNURAMOFO-WIYYLYMNSA-N 1 0 330.516 4.360 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000765442772 1053553219 /nfs/dbraw/zinc/55/32/19/1053553219.db2.gz VAKFNYDCQDBWET-VQIMIIECSA-N 1 0 329.488 4.079 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865603523 1053555771 /nfs/dbraw/zinc/55/57/71/1053555771.db2.gz IIGINZKENOYQSP-CQSZACIVSA-N 1 0 333.426 4.114 20 10 EICDRO OCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)c(F)c1 ZINC000865654629 1053566835 /nfs/dbraw/zinc/56/68/35/1053566835.db2.gz SRNBTLLOGXAJFA-HNNXBMFYSA-N 1 0 344.213 4.051 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1O ZINC000775688414 1053593156 /nfs/dbraw/zinc/59/31/56/1053593156.db2.gz QZTFTBZSXDOREH-NQIIRXRSSA-N 1 0 338.495 4.186 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2cc3cnccc3o2)ccc1OC ZINC000865853050 1053610197 /nfs/dbraw/zinc/61/01/97/1053610197.db2.gz FIOKCBQOLLSVEG-CQSZACIVSA-N 1 0 340.423 4.224 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866218260 1053654297 /nfs/dbraw/zinc/65/42/97/1053654297.db2.gz MULLIELUZCQCIR-LBPRGKRZSA-N 1 0 329.831 4.398 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866218257 1053654597 /nfs/dbraw/zinc/65/45/97/1053654597.db2.gz MULLIELUZCQCIR-GFCCVEGCSA-N 1 0 329.831 4.398 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1cc(F)ccc1Br ZINC000083552015 1053680021 /nfs/dbraw/zinc/68/00/21/1053680021.db2.gz RSPFHVYNDDXSLL-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO CC[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1O ZINC000866408753 1053718377 /nfs/dbraw/zinc/71/83/77/1053718377.db2.gz DEZKNBKDDUKTJP-DLBZAZTESA-N 1 0 337.822 4.349 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000866410135 1053719398 /nfs/dbraw/zinc/71/93/98/1053719398.db2.gz WYJVKBQUSOKVIR-YVEFUNNKSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1O ZINC000866485453 1053749068 /nfs/dbraw/zinc/74/90/68/1053749068.db2.gz LKXWHBYNIQWECP-SWLSCSKDSA-N 1 0 326.396 4.349 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485076 1053750378 /nfs/dbraw/zinc/75/03/78/1053750378.db2.gz LIMAOUDZMAHATL-KBPBESRZSA-N 1 0 339.439 4.401 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2noc3ccc(F)cc23)cc1 ZINC000866511327 1053762846 /nfs/dbraw/zinc/76/28/46/1053762846.db2.gz OPLLCDUKNMVUAG-ZDUSSCGKSA-N 1 0 327.403 4.274 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000854217490 1053784387 /nfs/dbraw/zinc/78/43/87/1053784387.db2.gz MVEUSTZJXNJSRZ-OAHLLOKOSA-N 1 0 327.447 4.249 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1OC(F)(F)F ZINC000765607887 1053802538 /nfs/dbraw/zinc/80/25/38/1053802538.db2.gz FHAKLBYONIPWBA-GFCCVEGCSA-N 1 0 337.341 4.371 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1SC ZINC000765607896 1053803098 /nfs/dbraw/zinc/80/30/98/1053803098.db2.gz FIXXQXODYSAUMY-ZDUSSCGKSA-N 1 0 329.465 4.203 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000866612316 1053803918 /nfs/dbraw/zinc/80/39/18/1053803918.db2.gz GSCHFNFQVMYGHQ-SJORKVTESA-N 1 0 326.488 4.212 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1O ZINC000866633130 1053811660 /nfs/dbraw/zinc/81/16/60/1053811660.db2.gz FZHBPEXRGGBCQH-KGLIPLIRSA-N 1 0 339.361 4.183 20 10 EICDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765645939 1053830432 /nfs/dbraw/zinc/83/04/32/1053830432.db2.gz XWLGFUWDZJBVBG-RDTXWAMCSA-N 1 0 338.442 4.425 20 10 EICDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccn1 ZINC000765736451 1053896734 /nfs/dbraw/zinc/89/67/34/1053896734.db2.gz SLYSTKJCMYROBS-OAQYLSRUSA-N 1 0 339.483 4.190 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000122184029 1053907916 /nfs/dbraw/zinc/90/79/16/1053907916.db2.gz HKINGIKARFYGQS-IBGZPJMESA-N 1 0 325.433 4.180 20 10 EICDRO Cc1ccc(O)c(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000113327541 1053924730 /nfs/dbraw/zinc/92/47/30/1053924730.db2.gz HSJBVANLSFRLCX-UHFFFAOYSA-N 1 0 345.870 4.192 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000122437091 1053963223 /nfs/dbraw/zinc/96/32/23/1053963223.db2.gz PEIQRZACXAQLNZ-KRWDZBQOSA-N 1 0 346.446 4.150 20 10 EICDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000122933576 1054060680 /nfs/dbraw/zinc/06/06/80/1054060680.db2.gz QAIWTYJZAXGHSP-OAHLLOKOSA-N 1 0 339.439 4.136 20 10 EICDRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775830248 1054102360 /nfs/dbraw/zinc/10/23/60/1054102360.db2.gz FZMYAMVSDRMVBY-MRXNPFEDSA-N 1 0 340.467 4.169 20 10 EICDRO CCn1c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc2c1cccc2F ZINC000775831868 1054105486 /nfs/dbraw/zinc/10/54/86/1054105486.db2.gz VQYYAGABNPLBCS-CQSZACIVSA-N 1 0 340.446 4.112 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccc(N(C)C)cc1 ZINC000775835779 1054118197 /nfs/dbraw/zinc/11/81/97/1054118197.db2.gz JEOKCWGXMYKHAW-CQSZACIVSA-N 1 0 339.414 4.398 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775835688 1054118997 /nfs/dbraw/zinc/11/89/97/1054118997.db2.gz WAMJIHNNYIVMAP-LBPRGKRZSA-N 1 0 333.819 4.165 20 10 EICDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857060597 1054169924 /nfs/dbraw/zinc/16/99/24/1054169924.db2.gz VBJLMNONMPSGGV-INIZCTEOSA-N 1 0 333.378 4.106 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001198900695 1054292857 /nfs/dbraw/zinc/29/28/57/1054292857.db2.gz KFPZWPXOVOHIDU-AXKGWLQCSA-N 1 0 349.522 4.193 20 10 EICDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000872030605 1054348145 /nfs/dbraw/zinc/34/81/45/1054348145.db2.gz IKOBROCSYLLNPP-LBPRGKRZSA-N 1 0 344.436 4.102 20 10 EICDRO CC(C)[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Nc1ccccc1 ZINC001199117757 1054352262 /nfs/dbraw/zinc/35/22/62/1054352262.db2.gz FUGYEMMLKHVEBV-FMFFHWJCSA-N 1 0 337.511 4.492 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccc1OC(C)C ZINC000115629382 1054365939 /nfs/dbraw/zinc/36/59/39/1054365939.db2.gz RTCQSAMVSLOLFP-UHFFFAOYSA-N 1 0 342.483 4.147 20 10 EICDRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000872080912 1054383655 /nfs/dbraw/zinc/38/36/55/1054383655.db2.gz UJKGOQMZGHFGOB-LSDHHAIUSA-N 1 0 344.421 4.232 20 10 EICDRO C[C@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(N(C)C)cc1 ZINC000872121996 1054400411 /nfs/dbraw/zinc/40/04/11/1054400411.db2.gz IPLZJVRXQXGTGQ-AWEZNQCLSA-N 1 0 338.480 4.122 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000872129455 1054404592 /nfs/dbraw/zinc/40/45/92/1054404592.db2.gz BVQWDUVERQLWPK-MNOVXSKESA-N 1 0 340.345 4.226 20 10 EICDRO CC(C)([NH2+]Cc1c(O)cccc1Br)c1cccc(F)c1 ZINC000858141426 1054423518 /nfs/dbraw/zinc/42/35/18/1054423518.db2.gz OGQMMNDBODGLKH-UHFFFAOYSA-N 1 0 338.220 4.319 20 10 EICDRO COc1cc(C[NH2+]CCCSc2nccs2)ccc1Cl ZINC000858140820 1054423535 /nfs/dbraw/zinc/42/35/35/1054423535.db2.gz HUGKPRXQADIASH-UHFFFAOYSA-N 1 0 328.890 4.077 20 10 EICDRO CCC[N@H+](Cc1cccc(OCC)c1O)[C@@H]1CCCc2cccnc21 ZINC000775994383 1054434099 /nfs/dbraw/zinc/43/40/99/1054434099.db2.gz LBEMJXMWSOQKKK-GOSISDBHSA-N 1 0 340.467 4.476 20 10 EICDRO CCC[N@H+](Cc1cc(OCC)ccc1O)[C@H]1CCCc2cccnc21 ZINC000775998420 1054435264 /nfs/dbraw/zinc/43/52/64/1054435264.db2.gz VUPQLZXWSFHIRT-IBGZPJMESA-N 1 0 340.467 4.476 20 10 EICDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001199732421 1054455862 /nfs/dbraw/zinc/45/58/62/1054455862.db2.gz JNEBIPUCIOGBHQ-AZUAARDMSA-N 1 0 330.516 4.218 20 10 EICDRO Cc1cc(C[NH2+]Cc2cncn2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000858292985 1054455945 /nfs/dbraw/zinc/45/59/45/1054455945.db2.gz HXSXHHFQFYBKSP-UHFFFAOYSA-N 1 0 336.483 4.470 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858298611 1054458583 /nfs/dbraw/zinc/45/85/83/1054458583.db2.gz MSCYUKGUWJMBTE-FXAWDEMLSA-N 1 0 342.508 4.042 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1C ZINC000873051620 1054481263 /nfs/dbraw/zinc/48/12/63/1054481263.db2.gz FHQMTAYGYPFXOD-GOSISDBHSA-N 1 0 325.456 4.049 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000858425005 1054486883 /nfs/dbraw/zinc/48/68/83/1054486883.db2.gz AWAVCKLBQXIHJW-RHSMWYFYSA-N 1 0 329.513 4.116 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1C ZINC000873134452 1054491040 /nfs/dbraw/zinc/49/10/40/1054491040.db2.gz AGCNKVTYRYQFPW-UHFFFAOYSA-N 1 0 339.483 4.069 20 10 EICDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858445518 1054491649 /nfs/dbraw/zinc/49/16/49/1054491649.db2.gz MEVSUHPGSZKRGS-IRXDYDNUSA-N 1 0 334.479 4.283 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Cl)ccc1O ZINC000858453012 1054492803 /nfs/dbraw/zinc/49/28/03/1054492803.db2.gz RMKDUNUZRYNORD-GFCCVEGCSA-N 1 0 347.768 4.039 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490688 1054498976 /nfs/dbraw/zinc/49/89/76/1054498976.db2.gz LVGFHFKAJHLFLV-RYUDHWBXSA-N 1 0 331.287 4.082 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000873287659 1054521783 /nfs/dbraw/zinc/52/17/83/1054521783.db2.gz HLYJZQBSHDZIQJ-CQSZACIVSA-N 1 0 345.437 4.388 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C2(c3c(F)cccc3F)CCC2)c1O ZINC000858604953 1054533080 /nfs/dbraw/zinc/53/30/80/1054533080.db2.gz QPPYOGOQSONETC-GFCCVEGCSA-N 1 0 333.378 4.409 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000858604652 1054533237 /nfs/dbraw/zinc/53/32/37/1054533237.db2.gz NNESDINHQONMOO-PZJWPPBQSA-N 1 0 339.483 4.348 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858604668 1054534407 /nfs/dbraw/zinc/53/44/07/1054534407.db2.gz OCGPDECHEVOZGW-BTYIYWSLSA-N 1 0 339.483 4.348 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000124626069 1054585023 /nfs/dbraw/zinc/58/50/23/1054585023.db2.gz IKBTYCKFJXIQLH-MRXNPFEDSA-N 1 0 342.458 4.196 20 10 EICDRO CC(C)CC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC001201036478 1054643109 /nfs/dbraw/zinc/64/31/09/1054643109.db2.gz UPMPLTWWYIPWIV-UHFFFAOYSA-N 1 0 348.506 4.358 20 10 EICDRO CCOC(C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1)OCC ZINC000125279271 1054757246 /nfs/dbraw/zinc/75/72/46/1054757246.db2.gz XGMRXSSJQICKSD-QGZVFWFLSA-N 1 0 343.467 4.355 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2Br)cc1C ZINC001201379754 1054783082 /nfs/dbraw/zinc/78/30/82/1054783082.db2.gz HJBNNMKEYDHACW-CQSZACIVSA-N 1 0 348.284 4.487 20 10 EICDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2c(C)c3ccccc3n2C)n1 ZINC001201388749 1054786576 /nfs/dbraw/zinc/78/65/76/1054786576.db2.gz KWPCSLOYPOWUGC-UHFFFAOYSA-N 1 0 344.462 4.271 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C2(c3ccccc3)CC2)c1O ZINC000776167989 1054799886 /nfs/dbraw/zinc/79/98/86/1054799886.db2.gz ICIDPTGTQLQASS-UHFFFAOYSA-N 1 0 332.241 4.242 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)c1O ZINC000776174111 1054802323 /nfs/dbraw/zinc/80/23/23/1054802323.db2.gz IULJCTRTWIYJRV-LLVKDONJSA-N 1 0 338.220 4.453 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000776174988 1054804454 /nfs/dbraw/zinc/80/44/54/1054804454.db2.gz UHNWFYUYNUSFIN-AWEZNQCLSA-N 1 0 331.481 4.227 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001201735943 1054906223 /nfs/dbraw/zinc/90/62/23/1054906223.db2.gz ZBOQMLQRQIOUOY-ZDUSSCGKSA-N 1 0 346.268 4.049 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001201832627 1054927639 /nfs/dbraw/zinc/92/76/39/1054927639.db2.gz CREOCPLZONRFMV-YJBOKZPZSA-N 1 0 349.515 4.382 20 10 EICDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876511016 1054928100 /nfs/dbraw/zinc/92/81/00/1054928100.db2.gz SVRZQOFTUUGCBN-UHFFFAOYSA-N 1 0 338.495 4.058 20 10 EICDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876939218 1054986726 /nfs/dbraw/zinc/98/67/26/1054986726.db2.gz UOSNEEVPMBELIA-HNNXBMFYSA-N 1 0 329.440 4.349 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)cc1C ZINC001202031420 1055010756 /nfs/dbraw/zinc/01/07/56/1055010756.db2.gz JEEUJIZDSAGTSJ-UWJYYQICSA-N 1 0 326.484 4.093 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777233765 1055026882 /nfs/dbraw/zinc/02/68/82/1055026882.db2.gz CTYKZYNMBOGJTF-HNNXBMFYSA-N 1 0 338.451 4.211 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001202126272 1055041918 /nfs/dbraw/zinc/04/19/18/1055041918.db2.gz IEDVYTNRNSRYLF-UHFFFAOYSA-N 1 0 346.268 4.438 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000777243110 1055042324 /nfs/dbraw/zinc/04/23/24/1055042324.db2.gz RJJYYEURWPKRJT-OLZOCXBDSA-N 1 0 344.833 4.015 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000877336577 1055043155 /nfs/dbraw/zinc/04/31/55/1055043155.db2.gz KNAGVWVSEADRNA-ICSRJNTNSA-N 1 0 329.415 4.192 20 10 EICDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326508 1055050934 /nfs/dbraw/zinc/05/09/34/1055050934.db2.gz PHNJHGWHDYWCGU-BLLLJJGKSA-N 1 0 347.256 4.133 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccns1 ZINC000862539941 1055079374 /nfs/dbraw/zinc/07/93/74/1055079374.db2.gz VBKQRRBBSWIHMP-SNVBAGLBSA-N 1 0 329.391 4.079 20 10 EICDRO CCc1cccc(C[NH2+][C@H](CC)c2cccc(OC)c2OC)c1O ZINC000877708131 1055108759 /nfs/dbraw/zinc/10/87/59/1055108759.db2.gz AYRREPYSDMEKHT-QGZVFWFLSA-N 1 0 329.440 4.213 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000877757873 1055113582 /nfs/dbraw/zinc/11/35/82/1055113582.db2.gz XLQYOWFZQOVCRA-PLMTUMEDSA-N 1 0 336.479 4.411 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(C(F)(F)F)c1 ZINC000877758347 1055118033 /nfs/dbraw/zinc/11/80/33/1055118033.db2.gz USRXZFZGTZLOTN-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO COc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)ccn1 ZINC000776266610 1055119547 /nfs/dbraw/zinc/11/95/47/1055119547.db2.gz WOWFVKUUFHSYKR-FQEVSTJZSA-N 1 0 348.446 4.260 20 10 EICDRO CC1(C)CCc2onc(C[NH2+]Cc3ccc4ccccc4c3O)c2C1 ZINC000877809966 1055126001 /nfs/dbraw/zinc/12/60/01/1055126001.db2.gz KQDQRYMCTBPPQC-UHFFFAOYSA-N 1 0 336.435 4.338 20 10 EICDRO COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccc2OC)c1O ZINC000108421286 1055295891 /nfs/dbraw/zinc/29/58/91/1055295891.db2.gz BPJVSYQEYOAFPE-OAQYLSRUSA-N 1 0 349.430 4.289 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765804596 1055387245 /nfs/dbraw/zinc/38/72/45/1055387245.db2.gz KUTZXGRYZOZEOQ-ZWKOTPCHSA-N 1 0 329.532 4.200 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC(C)C ZINC000186384416 1055429319 /nfs/dbraw/zinc/42/93/19/1055429319.db2.gz QNZUPYGJMRRZTR-XOBRGWDASA-N 1 0 347.430 4.357 20 10 EICDRO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921686754 1055796316 /nfs/dbraw/zinc/79/63/16/1055796316.db2.gz XGGBGCXQPOAQCX-SFHVURJKSA-N 1 0 339.483 4.130 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000131754528 1056679552 /nfs/dbraw/zinc/67/95/52/1056679552.db2.gz TUHSIXOHLIQPFF-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H](C)c2cccc(C)c2)ccc1OC ZINC000741257115 1058186460 /nfs/dbraw/zinc/18/64/60/1058186460.db2.gz SBZDAWNQYIYMSL-QGZVFWFLSA-N 1 0 327.468 4.433 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000742369401 1058597268 /nfs/dbraw/zinc/59/72/68/1058597268.db2.gz FGBDOEQCQUIEOH-WMZOPIPTSA-N 1 0 330.516 4.468 20 10 EICDRO Clc1ccccc1N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000742373644 1058597849 /nfs/dbraw/zinc/59/78/49/1058597849.db2.gz QTRYPTOYXRYJTJ-QGZVFWFLSA-N 1 0 342.870 4.034 20 10 EICDRO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1C ZINC000742373524 1058598313 /nfs/dbraw/zinc/59/83/13/1058598313.db2.gz YPVGCEYUKHDBDW-UHFFFAOYSA-N 1 0 345.870 4.453 20 10 EICDRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000743375468 1058979427 /nfs/dbraw/zinc/97/94/27/1058979427.db2.gz HRMAJRWRBNTORY-HXUWFJFHSA-N 1 0 346.474 4.252 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870497 1059190550 /nfs/dbraw/zinc/19/05/50/1059190550.db2.gz ULBUCZVBMCVUFI-HNNXBMFYSA-N 1 0 344.430 4.079 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000744449397 1059529394 /nfs/dbraw/zinc/52/93/94/1059529394.db2.gz VSZDVVQEVCOVIM-DIFFPNOSSA-N 1 0 340.250 4.219 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048885 1059986821 /nfs/dbraw/zinc/98/68/21/1059986821.db2.gz LHMLHUJNZIYTOF-BRWVUGGUSA-N 1 0 342.458 4.290 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)c1ccccc1 ZINC001168811575 1060410919 /nfs/dbraw/zinc/41/09/19/1060410919.db2.gz AIYYCNQTUHOSQV-OAQYLSRUSA-N 1 0 338.495 4.463 20 10 EICDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766580369 1060622521 /nfs/dbraw/zinc/62/25/21/1060622521.db2.gz DZAXVHZHSJVTRZ-BRWVUGGUSA-N 1 0 334.479 4.282 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)cc2)CC1 ZINC001169556514 1060856066 /nfs/dbraw/zinc/85/60/66/1060856066.db2.gz TYGVMSLPDUBHJN-CSODHUTKSA-N 1 0 330.516 4.216 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)ccc21 ZINC000729679630 1032138189 /nfs/dbraw/zinc/13/81/89/1032138189.db2.gz NANSMEHCTRXQSE-UHFFFAOYSA-N 1 0 336.479 4.072 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC000274737762 1019091023 /nfs/dbraw/zinc/09/10/23/1019091023.db2.gz DRBKUODLOVLHIX-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175754742 1019504096 /nfs/dbraw/zinc/50/40/96/1019504096.db2.gz LYHCLRXGPMRLRO-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccccc1O ZINC000274898639 1019844274 /nfs/dbraw/zinc/84/42/74/1019844274.db2.gz KTNGXHCSVLPUAJ-MRXNPFEDSA-N 1 0 339.464 4.194 20 10 EICDRO Cc1ncc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)s1 ZINC000275158259 1020222929 /nfs/dbraw/zinc/22/29/29/1020222929.db2.gz AAKHUALJGGCAOA-SECBINFHSA-N 1 0 341.274 4.079 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000177805918 1021712638 /nfs/dbraw/zinc/71/26/38/1021712638.db2.gz VITZJHQPXSBALO-QGZVFWFLSA-N 1 0 334.467 4.179 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(Cl)cc1 ZINC000892531404 1021800223 /nfs/dbraw/zinc/80/02/23/1021800223.db2.gz SONNOBRPBWMWQL-OAHLLOKOSA-N 1 0 335.831 4.304 20 10 EICDRO c1ccc2c(c1)CCSC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975354 1021836144 /nfs/dbraw/zinc/83/61/44/1021836144.db2.gz JWLBPHRKSUAMQS-OAQYLSRUSA-N 1 0 338.520 4.407 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1O ZINC000376325911 1022168382 /nfs/dbraw/zinc/16/83/82/1022168382.db2.gz TYHPKXDQKCGMGX-IAGOWNOFSA-N 1 0 327.424 4.274 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(OC)c(F)c2)cc1 ZINC000728300824 1022193449 /nfs/dbraw/zinc/19/34/49/1022193449.db2.gz DGFUWDFBCJMALP-UHFFFAOYSA-N 1 0 330.447 4.013 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000376341222 1022230279 /nfs/dbraw/zinc/23/02/79/1022230279.db2.gz YVDVXEPAZTXUDM-IBGZPJMESA-N 1 0 338.451 4.194 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855262 1022857296 /nfs/dbraw/zinc/85/72/96/1022857296.db2.gz NIAFUAAPEIKGLW-OXJNMPFZSA-N 1 0 335.451 4.183 20 10 EICDRO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000363855216 1022857614 /nfs/dbraw/zinc/85/76/14/1022857614.db2.gz MWGYJAUREMSFCQ-LRDDRELGSA-N 1 0 331.387 4.023 20 10 EICDRO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cc(Cl)ccc1O ZINC000363855912 1022859371 /nfs/dbraw/zinc/85/93/71/1022859371.db2.gz OALJQSUMQMEYRY-DJJJIMSYSA-N 1 0 341.842 4.219 20 10 EICDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858605 1022863490 /nfs/dbraw/zinc/86/34/90/1022863490.db2.gz DYSVHYBBFAVVLU-MAUKXSAKSA-N 1 0 339.483 4.004 20 10 EICDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccc(F)c(F)c1 ZINC000706833759 1022885665 /nfs/dbraw/zinc/88/56/65/1022885665.db2.gz FOMWJEGXDRNNKN-VIFPVBQESA-N 1 0 342.183 4.284 20 10 EICDRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000236592109 1023004950 /nfs/dbraw/zinc/00/49/50/1023004950.db2.gz BEQMAAVYGFHWCI-UHFFFAOYSA-N 1 0 338.495 4.024 20 10 EICDRO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000186138299 1023100787 /nfs/dbraw/zinc/10/07/87/1023100787.db2.gz KYUKUESNPSITEA-HNNXBMFYSA-N 1 0 339.483 4.433 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382449414 1023146458 /nfs/dbraw/zinc/14/64/58/1023146458.db2.gz CXXLAVLLNDXWPP-ARFHVFGLSA-N 1 0 348.487 4.045 20 10 EICDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892778161 1023393060 /nfs/dbraw/zinc/39/30/60/1023393060.db2.gz CFZBRXMWTSOVRT-INIZCTEOSA-N 1 0 345.439 4.049 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Br)ccc1O ZINC000756533562 1023399856 /nfs/dbraw/zinc/39/98/56/1023399856.db2.gz JCHXSHOQAYNHEI-GFCCVEGCSA-N 1 0 349.272 4.072 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c(O)c1OC ZINC000892902562 1023482452 /nfs/dbraw/zinc/48/24/52/1023482452.db2.gz IAECNBSVPLVCSH-SFHVURJKSA-N 1 0 345.414 4.180 20 10 EICDRO Oc1cccc(Cl)c1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000377690469 1023689902 /nfs/dbraw/zinc/68/99/02/1023689902.db2.gz GOCIIGGLBLGLEW-OAHLLOKOSA-N 1 0 347.846 4.423 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)CCCS2 ZINC000187705762 1023903088 /nfs/dbraw/zinc/90/30/88/1023903088.db2.gz JPDLYULZDAZDOE-LJQANCHMSA-N 1 0 342.508 4.478 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000124297993 1023910800 /nfs/dbraw/zinc/91/08/00/1023910800.db2.gz TXNAKSQWZLQFNA-CQSZACIVSA-N 1 0 348.849 4.167 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000124297788 1023910941 /nfs/dbraw/zinc/91/09/41/1023910941.db2.gz TXNAKSQWZLQFNA-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO CCCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000236710144 1024055306 /nfs/dbraw/zinc/05/53/06/1024055306.db2.gz GWTNYGULEDSUKA-HNNXBMFYSA-N 1 0 329.440 4.431 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000248551541 1024872517 /nfs/dbraw/zinc/87/25/17/1024872517.db2.gz IQBIZJLYWBBPGY-NDPMZMCLSA-N 1 0 342.277 4.151 20 10 EICDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000165197716 1025047052 /nfs/dbraw/zinc/04/70/52/1025047052.db2.gz XVXBMLUVRRXWOU-CQSZACIVSA-N 1 0 348.487 4.137 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000165437894 1025288890 /nfs/dbraw/zinc/28/88/90/1025288890.db2.gz FNPCJCOMKXLRCH-KUHUBIRLSA-N 1 0 340.471 4.045 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(N(C)C)cc1 ZINC000893682836 1026332904 /nfs/dbraw/zinc/33/29/04/1026332904.db2.gz DGHHDBVJBZMMON-LLVKDONJSA-N 1 0 343.418 4.165 20 10 EICDRO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[nH]1 ZINC000894771579 1026413736 /nfs/dbraw/zinc/41/37/36/1026413736.db2.gz NYTULBPTYXDFDK-GFCCVEGCSA-N 1 0 344.503 4.265 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113322849 1026782456 /nfs/dbraw/zinc/78/24/56/1026782456.db2.gz JTMJJFBKIDVWIP-UHFFFAOYSA-N 1 0 332.831 4.074 20 10 EICDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001167594738 1026909728 /nfs/dbraw/zinc/90/97/28/1026909728.db2.gz QUIJJSOUFPUOJH-NRFANRHFSA-N 1 0 348.494 4.459 20 10 EICDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000161803924 1027709493 /nfs/dbraw/zinc/70/94/93/1027709493.db2.gz XGMCCZVGJQZRDV-KRWDZBQOSA-N 1 0 344.499 4.013 20 10 EICDRO CCN(CC)c1ccc(CNc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000327381004 1027930659 /nfs/dbraw/zinc/93/06/59/1027930659.db2.gz ONQDSFCSQDHNRS-UHFFFAOYSA-N 1 0 341.499 4.085 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)cc1 ZINC000187586192 1028663260 /nfs/dbraw/zinc/66/32/60/1028663260.db2.gz VCCFZTRYUSNCAL-UHFFFAOYSA-N 1 0 336.483 4.018 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1O ZINC000156966875 1028883240 /nfs/dbraw/zinc/88/32/40/1028883240.db2.gz DOJVKZDSPJGGHU-WMLDXEAASA-N 1 0 337.423 4.287 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)nc1C ZINC000840783671 1029281572 /nfs/dbraw/zinc/28/15/72/1029281572.db2.gz MDMYDOCCNBLJBV-CYBMUJFWSA-N 1 0 349.272 4.326 20 10 EICDRO COc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1Cl ZINC000475190219 1029353839 /nfs/dbraw/zinc/35/38/39/1029353839.db2.gz KDWPBKHWDCUZFW-UHFFFAOYSA-N 1 0 328.843 4.439 20 10 EICDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1O ZINC000183590065 1030024446 /nfs/dbraw/zinc/02/44/46/1030024446.db2.gz XTDYOFPTVUKSPL-CYBMUJFWSA-N 1 0 326.371 4.080 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213516 1030223050 /nfs/dbraw/zinc/22/30/50/1030223050.db2.gz ADDYXVCPOLDJOZ-OLZOCXBDSA-N 1 0 329.271 4.024 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1-n1cccn1 ZINC000185742717 1030223392 /nfs/dbraw/zinc/22/33/92/1030223392.db2.gz JFXRJWFKLFBXJZ-KBPBESRZSA-N 1 0 325.387 4.129 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1OC ZINC000527770904 1030851489 /nfs/dbraw/zinc/85/14/89/1030851489.db2.gz HAWGJTNJBOUQRT-NRFANRHFSA-N 1 0 340.467 4.258 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000527940934 1030958282 /nfs/dbraw/zinc/95/82/82/1030958282.db2.gz CACXPXRUAWAWNE-RODVOCQOSA-N 1 0 329.827 4.043 20 10 EICDRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000310051350 1030996570 /nfs/dbraw/zinc/99/65/70/1030996570.db2.gz IZXHHFHKVOZFAN-CABCVRRESA-N 1 0 336.476 4.126 20 10 EICDRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000310051351 1030997764 /nfs/dbraw/zinc/99/77/64/1030997764.db2.gz IZXHHFHKVOZFAN-GJZGRUSLSA-N 1 0 336.476 4.126 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C2CC2)cn1 ZINC000528042262 1031059523 /nfs/dbraw/zinc/05/95/23/1031059523.db2.gz CPUHMWGAWVTTCE-ADLMAVQZSA-N 1 0 332.831 4.251 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c(O)c1OC ZINC000892448628 1031098112 /nfs/dbraw/zinc/09/81/12/1031098112.db2.gz CNEPJUCDBDOSSN-CQSZACIVSA-N 1 0 341.451 4.139 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000179584453 1031222038 /nfs/dbraw/zinc/22/20/38/1031222038.db2.gz PPUAZBVUGHLAMG-LJQANCHMSA-N 1 0 339.460 4.190 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@@H](c2ccccc2)c2ccccn2)c1O ZINC000130939802 1031854914 /nfs/dbraw/zinc/85/49/14/1031854914.db2.gz DKIHDNSCQODESC-NRFANRHFSA-N 1 0 348.446 4.407 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000237344849 1032031358 /nfs/dbraw/zinc/03/13/58/1032031358.db2.gz UKMAFCCZDIENAH-RBUKOAKNSA-N 1 0 338.495 4.195 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000236968866 1033842368 /nfs/dbraw/zinc/84/23/68/1033842368.db2.gz MIZHHYTUHYGFTH-WIYYLYMNSA-N 1 0 338.495 4.228 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)c1O ZINC000894186158 1034652667 /nfs/dbraw/zinc/65/26/67/1034652667.db2.gz SBMINBHCLKGISJ-HNNXBMFYSA-N 1 0 329.440 4.347 20 10 EICDRO COc1cc(C[N@H+](C)Cc2scnc2C)c(O)c(C(C)(C)C)c1 ZINC000178891960 1034882268 /nfs/dbraw/zinc/88/22/68/1034882268.db2.gz FLSXGZJPSMPCKM-UHFFFAOYSA-N 1 0 334.485 4.095 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C)cc1O ZINC000280182443 1035197900 /nfs/dbraw/zinc/19/79/00/1035197900.db2.gz RSAAXFFEYRIBBL-FQEVSTJZSA-N 1 0 335.451 4.186 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000227439589 1035799023 /nfs/dbraw/zinc/79/90/23/1035799023.db2.gz GDWGAIAYFBLNQN-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC000164279162 1036027584 /nfs/dbraw/zinc/02/75/84/1036027584.db2.gz KRXWHAJRSKPFQA-QGZVFWFLSA-N 1 0 327.424 4.055 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2SCCc3ccccc32)c1O ZINC000761208200 1036057447 /nfs/dbraw/zinc/05/74/47/1036057447.db2.gz VWHMGWMHGOUVQY-KRWDZBQOSA-N 1 0 349.883 4.174 20 10 EICDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000164412848 1036139400 /nfs/dbraw/zinc/13/94/00/1036139400.db2.gz FOOGUFZLFGPRDU-IBGZPJMESA-N 1 0 325.452 4.048 20 10 EICDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C)cc(OC)c1O)CCC2 ZINC000164510987 1036163351 /nfs/dbraw/zinc/16/33/51/1036163351.db2.gz JRMDWFVBCYSPGA-HNNXBMFYSA-N 1 0 346.496 4.238 20 10 EICDRO COc1cc(C[N@H+](C)CCc2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000165210906 1036720268 /nfs/dbraw/zinc/72/02/68/1036720268.db2.gz JLQIOZNVSZKJGS-UHFFFAOYSA-N 1 0 348.512 4.138 20 10 EICDRO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000170788917 1036843085 /nfs/dbraw/zinc/84/30/85/1036843085.db2.gz IZLZQQZLHDTEMY-HNNXBMFYSA-N 1 0 330.447 4.224 20 10 EICDRO Cc1cccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1O ZINC000271744608 1037003217 /nfs/dbraw/zinc/00/32/17/1037003217.db2.gz SHDLNMDYQJUYEL-UHFFFAOYSA-N 1 0 345.389 4.074 20 10 EICDRO COCCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000282090399 1037004224 /nfs/dbraw/zinc/00/42/24/1037004224.db2.gz YKGLBRCQZBFEAW-FQEVSTJZSA-N 1 0 330.447 4.149 20 10 EICDRO COCCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000282090404 1037008274 /nfs/dbraw/zinc/00/82/74/1037008274.db2.gz YKGLBRCQZBFEAW-HXUWFJFHSA-N 1 0 330.447 4.149 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165896356 1037025293 /nfs/dbraw/zinc/02/52/93/1037025293.db2.gz BTRGHHUHBQZMBM-IAGOWNOFSA-N 1 0 342.458 4.383 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1O ZINC000272810433 1037302520 /nfs/dbraw/zinc/30/25/20/1037302520.db2.gz CZPNEYZOZONNKL-ABAIWWIYSA-N 1 0 348.240 4.329 20 10 EICDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273361918 1037433437 /nfs/dbraw/zinc/43/34/37/1037433437.db2.gz AOQQAGPUJPTQNA-QGZVFWFLSA-N 1 0 343.467 4.193 20 10 EICDRO CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000273377070 1037442225 /nfs/dbraw/zinc/44/22/25/1037442225.db2.gz HNAHVMOTQUMUEW-QGZVFWFLSA-N 1 0 343.467 4.105 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c(O)c1C ZINC000273446117 1037467783 /nfs/dbraw/zinc/46/77/83/1037467783.db2.gz ZZDIEGAAJFJEPW-HNNXBMFYSA-N 1 0 339.414 4.185 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c(O)c1C ZINC000273456759 1037470987 /nfs/dbraw/zinc/47/09/87/1037470987.db2.gz HGJYLHMARSRKQK-CQSZACIVSA-N 1 0 339.464 4.378 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1C ZINC000273490616 1037480610 /nfs/dbraw/zinc/48/06/10/1037480610.db2.gz OFMVWGAZCPXPQY-HOTGVXAUSA-N 1 0 335.513 4.104 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273488019 1037481395 /nfs/dbraw/zinc/48/13/95/1037481395.db2.gz MSTUQWBELLOQGP-KBXCAEBGSA-N 1 0 335.806 4.195 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000273507256 1037486770 /nfs/dbraw/zinc/48/67/70/1037486770.db2.gz RFPKOHYDGKOVJS-CQSZACIVSA-N 1 0 339.464 4.112 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cccnc3Cl)CC2)cc1 ZINC000157389772 1037497539 /nfs/dbraw/zinc/49/75/39/1037497539.db2.gz ZQUOCXZSZVHSPR-AWEZNQCLSA-N 1 0 345.874 4.063 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000273534645 1037498326 /nfs/dbraw/zinc/49/83/26/1037498326.db2.gz VZMWGFIZUUUUCW-UYAOXDASSA-N 1 0 329.415 4.158 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000273534642 1037498471 /nfs/dbraw/zinc/49/84/71/1037498471.db2.gz VZMWGFIZUUUUCW-QUCCMNQESA-N 1 0 329.415 4.158 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c(O)c1C ZINC000273560405 1037506483 /nfs/dbraw/zinc/50/64/83/1037506483.db2.gz HXZVTRZMXJNPIZ-SFHVURJKSA-N 1 0 349.478 4.299 20 10 EICDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760905107 1037654620 /nfs/dbraw/zinc/65/46/20/1037654620.db2.gz IGIOYBMCATXFPJ-TZMCWYRMSA-N 1 0 348.384 4.044 20 10 EICDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000760910576 1037658924 /nfs/dbraw/zinc/65/89/24/1037658924.db2.gz YOVNRJCIJCCWCA-FEPNQTLGSA-N 1 0 338.495 4.234 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000760956079 1037760372 /nfs/dbraw/zinc/76/03/72/1037760372.db2.gz UWEZBPXXQOMQNX-AVRDEDQJSA-N 1 0 336.479 4.057 20 10 EICDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157715100 1037920122 /nfs/dbraw/zinc/92/01/22/1037920122.db2.gz WGTLOOVSPPUKBR-ZIAGYGMSSA-N 1 0 326.431 4.281 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(N(C)C)cc1 ZINC000048162116 1038322668 /nfs/dbraw/zinc/32/26/68/1038322668.db2.gz SFZTXZRTNYEVJP-CYBMUJFWSA-N 1 0 333.273 4.366 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1C ZINC000041065495 1040584336 /nfs/dbraw/zinc/58/43/36/1040584336.db2.gz HGVJXOQGUGDUTP-UHFFFAOYSA-N 1 0 338.220 4.195 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1SC ZINC000160552343 1040595295 /nfs/dbraw/zinc/59/52/95/1040595295.db2.gz VEFMIIRJQOSQKX-CQSZACIVSA-N 1 0 330.497 4.334 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366675740 1041841897 /nfs/dbraw/zinc/84/18/97/1041841897.db2.gz JBZXPVWUVLAJPZ-IBGZPJMESA-N 1 0 344.499 4.004 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168437946 1041932366 /nfs/dbraw/zinc/93/23/66/1041932366.db2.gz KRUSPTXCPYEIBJ-QFIPXVFZSA-N 1 0 338.470 4.415 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3ccc(C)s3)CC2)cc1 ZINC000151884307 1042525655 /nfs/dbraw/zinc/52/56/55/1042525655.db2.gz YSCVMXGRRJNVAX-OAHLLOKOSA-N 1 0 344.524 4.255 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000760042736 1042937894 /nfs/dbraw/zinc/93/78/94/1042937894.db2.gz XNMXHZKWKBGVHD-OYYNGEPBSA-N 1 0 349.833 4.002 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000727470460 1043228024 /nfs/dbraw/zinc/22/80/24/1043228024.db2.gz FFMYLWSLIDICAJ-IBGZPJMESA-N 1 0 334.479 4.111 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000163625335 1043252526 /nfs/dbraw/zinc/25/25/26/1043252526.db2.gz AHKPQVBKVZJXMD-HNNXBMFYSA-N 1 0 330.472 4.230 20 10 EICDRO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163625960 1043253868 /nfs/dbraw/zinc/25/38/68/1043253868.db2.gz NFMAHJQCSOHDJH-NRFANRHFSA-N 1 0 338.520 4.407 20 10 EICDRO Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)cc1 ZINC000921993255 1043280007 /nfs/dbraw/zinc/28/00/07/1043280007.db2.gz AHTJIYHRNBWSIS-TZIWHRDSSA-N 1 0 341.426 4.161 20 10 EICDRO Fc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)cc1 ZINC000921993249 1043280192 /nfs/dbraw/zinc/28/01/92/1043280192.db2.gz AHTJIYHRNBWSIS-CTNGQTDRSA-N 1 0 341.426 4.161 20 10 EICDRO CC(C)(C)c1cccc(C[NH+]2CCC(Oc3cccnc3)CC2)c1O ZINC001143110539 1043409700 /nfs/dbraw/zinc/40/97/00/1043409700.db2.gz INTJOBCFZOEOAK-UHFFFAOYSA-N 1 0 340.467 4.128 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000765970794 1043557276 /nfs/dbraw/zinc/55/72/76/1043557276.db2.gz RBKNPUHFFDVQGW-KBPBESRZSA-N 1 0 338.455 4.136 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)ccc2OC)cc1F ZINC000731360978 1043741142 /nfs/dbraw/zinc/74/11/42/1043741142.db2.gz SAPNQSWLEZAXES-UHFFFAOYSA-N 1 0 330.447 4.279 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1F ZINC000731360971 1043741519 /nfs/dbraw/zinc/74/15/19/1043741519.db2.gz RWPXYGHYQCOVRH-UHFFFAOYSA-N 1 0 330.447 4.279 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871365 1043842316 /nfs/dbraw/zinc/84/23/16/1043842316.db2.gz DIWYYHVSHPWYSL-CYBMUJFWSA-N 1 0 330.453 4.080 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1O ZINC000701943599 1043857343 /nfs/dbraw/zinc/85/73/43/1043857343.db2.gz IFXVUIOJDLLSHP-BXKDBHETSA-N 1 0 334.204 4.241 20 10 EICDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1ccc(N(C)C)cc1 ZINC000766074657 1043881810 /nfs/dbraw/zinc/88/18/10/1043881810.db2.gz YWQWXDRSKZIFRC-MRXNPFEDSA-N 1 0 335.542 4.432 20 10 EICDRO CC[C@H]([NH2+]CCCSc1nccs1)c1ccc(N(C)C)cc1 ZINC000766074655 1043881886 /nfs/dbraw/zinc/88/18/86/1043881886.db2.gz YWQWXDRSKZIFRC-INIZCTEOSA-N 1 0 335.542 4.432 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204250 1043888051 /nfs/dbraw/zinc/88/80/51/1043888051.db2.gz GTXIGELLCIUCSS-HXUWFJFHSA-N 1 0 347.405 4.149 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@@](C)(O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000732668183 1043981548 /nfs/dbraw/zinc/98/15/48/1043981548.db2.gz CJFKGEUVECRUBB-OAQYLSRUSA-N 1 0 333.516 4.238 20 10 EICDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000732821879 1044013575 /nfs/dbraw/zinc/01/35/75/1044013575.db2.gz BOEUICGYJQFQHQ-JOCHJYFZSA-N 1 0 333.431 4.191 20 10 EICDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000766095122 1044064353 /nfs/dbraw/zinc/06/43/53/1044064353.db2.gz PVUAERXNOOGVFU-OALUTQOASA-N 1 0 338.495 4.286 20 10 EICDRO COC(=O)CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)C(C)C ZINC000733182846 1044125841 /nfs/dbraw/zinc/12/58/41/1044125841.db2.gz AYZBUIPZICZIOH-UHFFFAOYSA-N 1 0 341.407 4.065 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000733324798 1044189404 /nfs/dbraw/zinc/18/94/04/1044189404.db2.gz CTCDIGUAWBNZMG-UHFFFAOYSA-N 1 0 344.886 4.368 20 10 EICDRO Cc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCCC2)cc1 ZINC000733326386 1044193089 /nfs/dbraw/zinc/19/30/89/1044193089.db2.gz ZRBKLJZBLHUTPF-LJQANCHMSA-N 1 0 344.886 4.281 20 10 EICDRO CCCCC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613468 1044268729 /nfs/dbraw/zinc/26/87/29/1044268729.db2.gz XPIPFJADLKIJEJ-KRWDZBQOSA-N 1 0 346.515 4.222 20 10 EICDRO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000734004119 1044452306 /nfs/dbraw/zinc/45/23/06/1044452306.db2.gz OSFKBAOPRVVJOS-QFIPXVFZSA-N 1 0 333.431 4.057 20 10 EICDRO c1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)cc1 ZINC000734510428 1044593210 /nfs/dbraw/zinc/59/32/10/1044593210.db2.gz WCTUKNCVACKDCD-NRFANRHFSA-N 1 0 349.522 4.436 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000734511984 1044594133 /nfs/dbraw/zinc/59/41/33/1044594133.db2.gz KYHBDPHUZDSJTJ-UHFFFAOYSA-N 1 0 326.484 4.386 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922469832 1044744610 /nfs/dbraw/zinc/74/46/10/1044744610.db2.gz JHGNWXRUOOHYRI-UHFFFAOYSA-N 1 0 336.460 4.294 20 10 EICDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922881561 1045020673 /nfs/dbraw/zinc/02/06/73/1045020673.db2.gz JMFOGCFEXCOBPN-HNNXBMFYSA-N 1 0 347.256 4.025 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738159893 1045041350 /nfs/dbraw/zinc/04/13/50/1045041350.db2.gz UMBQIUOBEHRJCR-KRWDZBQOSA-N 1 0 327.472 4.032 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C ZINC000738269392 1045047159 /nfs/dbraw/zinc/04/71/59/1045047159.db2.gz NAAFFRDWMFJULI-KRWDZBQOSA-N 1 0 341.426 4.243 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC000738439280 1045060182 /nfs/dbraw/zinc/06/01/82/1045060182.db2.gz DMOYNCQZPCXVLL-UHFFFAOYSA-N 1 0 330.447 4.448 20 10 EICDRO Cc1ccc([C@H](C)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000738435907 1045061111 /nfs/dbraw/zinc/06/11/11/1045061111.db2.gz OROTZLFNMXMEEM-CYBMUJFWSA-N 1 0 334.257 4.356 20 10 EICDRO CC(C)CCn1cccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000738429721 1045061218 /nfs/dbraw/zinc/06/12/18/1045061218.db2.gz DROWUYLGTKEDQG-UHFFFAOYSA-N 1 0 325.500 4.206 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412600 1045090101 /nfs/dbraw/zinc/09/01/01/1045090101.db2.gz LFEQJKYGJSHJSM-UZLBHIALSA-N 1 0 338.499 4.139 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C(C3CC3)C3CC3)C2)cc1 ZINC000766236488 1045091014 /nfs/dbraw/zinc/09/10/14/1045091014.db2.gz DTCVRDAUFIJHBJ-OAHLLOKOSA-N 1 0 336.426 4.035 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CCO2 ZINC000186692473 1045132784 /nfs/dbraw/zinc/13/27/84/1045132784.db2.gz FVSFVCBOSTVZSV-KSSFIOAISA-N 1 0 327.424 4.274 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](OC)c2ccccc2)cc1F ZINC000740003929 1045174043 /nfs/dbraw/zinc/17/40/43/1045174043.db2.gz CQDGFQQAECIAGH-FQEVSTJZSA-N 1 0 330.447 4.149 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC000740003956 1045174612 /nfs/dbraw/zinc/17/46/12/1045174612.db2.gz FELSTFCBEMQAFY-LJQANCHMSA-N 1 0 346.494 4.073 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1O ZINC000237423926 1045385701 /nfs/dbraw/zinc/38/57/01/1045385701.db2.gz IDFIMUDCIWFRBR-AWEZNQCLSA-N 1 0 335.856 4.381 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cccc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000915808051 1045469054 /nfs/dbraw/zinc/46/90/54/1045469054.db2.gz QYTZZMZHFDFBMP-UHFFFAOYSA-N 1 0 331.431 4.469 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC000915813918 1045473767 /nfs/dbraw/zinc/47/37/67/1045473767.db2.gz MSKNSVSMZMULTO-UHFFFAOYSA-N 1 0 331.431 4.469 20 10 EICDRO Cc1c(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cccc1[N+](=O)[O-] ZINC000790696115 1045560969 /nfs/dbraw/zinc/56/09/69/1045560969.db2.gz RLPXITACCRPTNA-YGRLFVJLSA-N 1 0 330.359 4.086 20 10 EICDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000767726509 1045619420 /nfs/dbraw/zinc/61/94/20/1045619420.db2.gz CVEVHMPIJYCDBX-HXUWFJFHSA-N 1 0 336.479 4.030 20 10 EICDRO Nc1ccc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000791093613 1045693763 /nfs/dbraw/zinc/69/37/63/1045693763.db2.gz MWBFHPGSOWZXQU-UHFFFAOYSA-N 1 0 346.394 4.401 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1coc2ccccc12)C[C@@H]1CCCO1 ZINC000768163292 1045732938 /nfs/dbraw/zinc/73/29/38/1045732938.db2.gz XQNAFARHMRJFRP-SFHVURJKSA-N 1 0 337.419 4.320 20 10 EICDRO CCOc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)c1O ZINC000768205426 1045742426 /nfs/dbraw/zinc/74/24/26/1045742426.db2.gz FDKIGCXPGKPIFE-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO CCOc1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1O ZINC000768256364 1045766869 /nfs/dbraw/zinc/76/68/69/1045766869.db2.gz DHULTSQZSOPWDQ-UHFFFAOYSA-N 1 0 333.378 4.234 20 10 EICDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1O)CCC3)CCC2 ZINC000763219820 1045772135 /nfs/dbraw/zinc/77/21/35/1045772135.db2.gz MAFCMHLNGMFLDJ-KRWDZBQOSA-N 1 0 342.508 4.409 20 10 EICDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768263886 1045773046 /nfs/dbraw/zinc/77/30/46/1045773046.db2.gz YGCTYLMOJDYMPC-HNNXBMFYSA-N 1 0 343.427 4.371 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768335101 1045790610 /nfs/dbraw/zinc/79/06/10/1045790610.db2.gz VIPIPPQCARGBGJ-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000768354102 1045796803 /nfs/dbraw/zinc/79/68/03/1045796803.db2.gz FHJZSQMALVZVNY-FQEVSTJZSA-N 1 0 327.447 4.404 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1OC ZINC000768445183 1045807164 /nfs/dbraw/zinc/80/71/64/1045807164.db2.gz QMDJNGBBOFINFY-SFHVURJKSA-N 1 0 341.451 4.007 20 10 EICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)CC(C)C)cc1OC ZINC000768441114 1045807227 /nfs/dbraw/zinc/80/72/27/1045807227.db2.gz VMDVEFBRDTVJFN-UHFFFAOYSA-N 1 0 329.440 4.068 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)CCCC2 ZINC000768453577 1045808944 /nfs/dbraw/zinc/80/89/44/1045808944.db2.gz YYFMKZXURMLEPO-JOCHJYFZSA-N 1 0 337.463 4.235 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1OC ZINC000768465751 1045811394 /nfs/dbraw/zinc/81/13/94/1045811394.db2.gz KGOZQDGNEMXTRK-QAPCUYQASA-N 1 0 341.451 4.035 20 10 EICDRO CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)c(O)c1 ZINC000768519693 1045814335 /nfs/dbraw/zinc/81/43/35/1045814335.db2.gz BNKIXQSCMSIJKS-OAHLLOKOSA-N 1 0 329.440 4.383 20 10 EICDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c1O ZINC000768531942 1045817214 /nfs/dbraw/zinc/81/72/14/1045817214.db2.gz BZHKCCYFKDDRMS-NRFANRHFSA-N 1 0 333.431 4.191 20 10 EICDRO COc1cc(Cl)c(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000768872769 1045851846 /nfs/dbraw/zinc/85/18/46/1045851846.db2.gz ILZAWTIMSVTSLA-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO Cc1ccc(O)c(C[N@H+](C)Cc2csc(Br)c2)c1 ZINC000768937453 1045863288 /nfs/dbraw/zinc/86/32/88/1045863288.db2.gz SJCIUGZBIPTNPS-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000076074255 1045866464 /nfs/dbraw/zinc/86/64/64/1045866464.db2.gz NGSVSNBLXSDNCS-OAHLLOKOSA-N 1 0 337.423 4.415 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2ccccc2c1O ZINC000248532563 1045868308 /nfs/dbraw/zinc/86/83/08/1045868308.db2.gz YMKAQBWTRMJXHT-NBQZKYEYSA-N 1 0 343.492 4.251 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3coc4ccccc34)CC2)cc1 ZINC000768999606 1045874915 /nfs/dbraw/zinc/87/49/15/1045874915.db2.gz ZXIAYNYWLQRDFN-UHFFFAOYSA-N 1 0 336.435 4.154 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)c1O ZINC000769189856 1045883783 /nfs/dbraw/zinc/88/37/83/1045883783.db2.gz SJWMDLMJQHTCJK-SFHVURJKSA-N 1 0 341.451 4.007 20 10 EICDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000769201357 1045893185 /nfs/dbraw/zinc/89/31/85/1045893185.db2.gz SCBNTQSARLPQCB-YFHOEESVSA-N 1 0 326.396 4.226 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769483715 1045970974 /nfs/dbraw/zinc/97/09/74/1045970974.db2.gz ICHUZRUXOJHTDK-OAQYLSRUSA-N 1 0 328.500 4.070 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1 ZINC000769447952 1045973521 /nfs/dbraw/zinc/97/35/21/1045973521.db2.gz USIUYSOLPJEUSF-UHFFFAOYSA-N 1 0 338.495 4.060 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000237404604 1045974400 /nfs/dbraw/zinc/97/44/00/1045974400.db2.gz CTNDBVCRZLUGEJ-KRWDZBQOSA-N 1 0 326.509 4.133 20 10 EICDRO Cc1ccc(O)c(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1 ZINC000769447558 1045974811 /nfs/dbraw/zinc/97/48/11/1045974811.db2.gz YCVCNRLIBIDXBY-FQEVSTJZSA-N 1 0 331.431 4.031 20 10 EICDRO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1O ZINC000769465683 1045983964 /nfs/dbraw/zinc/98/39/64/1045983964.db2.gz IMZJFVDKFCIUTD-YOEHRIQHSA-N 1 0 329.415 4.308 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470344 1045984853 /nfs/dbraw/zinc/98/48/53/1045984853.db2.gz LOAFLMSBPBNNRI-CYBMUJFWSA-N 1 0 334.485 4.311 20 10 EICDRO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000769470639 1045987536 /nfs/dbraw/zinc/98/75/36/1045987536.db2.gz MPHUSXWRLFSMHJ-FZMZJTMJSA-N 1 0 331.287 4.004 20 10 EICDRO Cc1cccc(C2(O)CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1C ZINC000769496845 1045994994 /nfs/dbraw/zinc/99/49/94/1045994994.db2.gz MYZQWPMGNHZMBJ-UHFFFAOYSA-N 1 0 345.870 4.146 20 10 EICDRO CCOc1cccc(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1O ZINC000769519677 1046005949 /nfs/dbraw/zinc/00/59/49/1046005949.db2.gz WPZKEIRUOCWNDX-MRXNPFEDSA-N 1 0 343.467 4.110 20 10 EICDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000769537542 1046014349 /nfs/dbraw/zinc/01/43/49/1046014349.db2.gz LVYRZOJIAFBWGT-INIZCTEOSA-N 1 0 349.272 4.220 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1O ZINC000769560196 1046020633 /nfs/dbraw/zinc/02/06/33/1046020633.db2.gz TZGFPDFTJVQFFU-ZDUSSCGKSA-N 1 0 333.378 4.059 20 10 EICDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C1(C)C ZINC001170388003 1046025957 /nfs/dbraw/zinc/02/59/57/1046025957.db2.gz XLRNMOWNYOWZPV-PZJWPPBQSA-N 1 0 330.516 4.279 20 10 EICDRO CCC[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1O ZINC000792799747 1046063811 /nfs/dbraw/zinc/06/38/11/1046063811.db2.gz PPMSAZZIHRGWID-UHFFFAOYSA-N 1 0 339.414 4.129 20 10 EICDRO COc1ccccc1[C@H](C[NH2+]Cc1cc(Cl)ccc1O)OC(C)C ZINC000769932684 1046114519 /nfs/dbraw/zinc/11/45/19/1046114519.db2.gz IGWYNSRCHMILHU-IBGZPJMESA-N 1 0 349.858 4.310 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC(C)C ZINC000769935157 1046116425 /nfs/dbraw/zinc/11/64/25/1046116425.db2.gz RIAQGZABKPNNGB-OAQYLSRUSA-N 1 0 342.483 4.017 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)CSc2ccc(C)cc2)c1O ZINC000769935266 1046116437 /nfs/dbraw/zinc/11/64/37/1046116437.db2.gz MESHMOVTFKQIIT-OAHLLOKOSA-N 1 0 331.481 4.370 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000769985043 1046121642 /nfs/dbraw/zinc/12/16/42/1046121642.db2.gz GDQVIIRFAATOPR-KDOFPFPSSA-N 1 0 348.487 4.262 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000793012259 1046125716 /nfs/dbraw/zinc/12/57/16/1046125716.db2.gz ZBJJWINSNSSOBJ-GFCCVEGCSA-N 1 0 336.348 4.439 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000793080166 1046134431 /nfs/dbraw/zinc/13/44/31/1046134431.db2.gz RUQBDASOUJTHTH-MRXNPFEDSA-N 1 0 344.421 4.210 20 10 EICDRO CN(Cc1ccc(C(F)F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000793074525 1046134893 /nfs/dbraw/zinc/13/48/93/1046134893.db2.gz IAPXFIMZLAMXGG-UHFFFAOYSA-N 1 0 334.410 4.201 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000763416681 1046149350 /nfs/dbraw/zinc/14/93/50/1046149350.db2.gz YBQIEZWUAGZISL-GQWLDOHISA-N 1 0 344.474 4.445 20 10 EICDRO Oc1ccccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000770504561 1046210282 /nfs/dbraw/zinc/21/02/82/1046210282.db2.gz JFRFJOKRALWWEK-PZJWPPBQSA-N 1 0 325.452 4.261 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Br)cn1 ZINC000793335306 1046210792 /nfs/dbraw/zinc/21/07/92/1046210792.db2.gz SXBQXSQSOOOGIT-SECBINFHSA-N 1 0 341.636 4.054 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000793352028 1046223916 /nfs/dbraw/zinc/22/39/16/1046223916.db2.gz MIHVLFXLHKKXCN-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000793386038 1046228813 /nfs/dbraw/zinc/22/88/13/1046228813.db2.gz HSYMDJAUKIKPLS-SAZUREKKSA-N 1 0 347.842 4.099 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c(O)c1 ZINC000793387283 1046228862 /nfs/dbraw/zinc/22/88/62/1046228862.db2.gz BTGMPNOZWAINPB-UHFFFAOYSA-N 1 0 345.748 4.363 20 10 EICDRO CCCCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793388117 1046230500 /nfs/dbraw/zinc/23/05/00/1046230500.db2.gz MIRWQZIZJKCJKT-UHFFFAOYSA-N 1 0 329.440 4.260 20 10 EICDRO Cc1cc([C@@H](C)[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000793516603 1046260931 /nfs/dbraw/zinc/26/09/31/1046260931.db2.gz LFZBKEASCHPSRY-QGZVFWFLSA-N 1 0 336.483 4.029 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000771382957 1046377734 /nfs/dbraw/zinc/37/77/34/1046377734.db2.gz IXNJOPHWLLQWNK-INIZCTEOSA-N 1 0 341.524 4.102 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000691500175 1046379631 /nfs/dbraw/zinc/37/96/31/1046379631.db2.gz CLNYRXBAGZFLDQ-ZDUSSCGKSA-N 1 0 338.270 4.383 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000771536058 1046440776 /nfs/dbraw/zinc/44/07/76/1046440776.db2.gz KGPYNSJUYUTPBC-UHFFFAOYSA-N 1 0 346.478 4.232 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc2c(c1)COC2 ZINC000771925053 1046519492 /nfs/dbraw/zinc/51/94/92/1046519492.db2.gz VDZYCTRFKYRVDM-UHFFFAOYSA-N 1 0 335.403 4.218 20 10 EICDRO CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccc(N(C)C)cc1 ZINC000772467995 1046646539 /nfs/dbraw/zinc/64/65/39/1046646539.db2.gz CTNJNLAVLXPRIN-NRFANRHFSA-N 1 0 342.483 4.019 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000917088486 1046674400 /nfs/dbraw/zinc/67/44/00/1046674400.db2.gz YGXMFNXSOMJKBV-INIZCTEOSA-N 1 0 328.431 4.108 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3F)CC2)cc1 ZINC000917088511 1046675092 /nfs/dbraw/zinc/67/50/92/1046675092.db2.gz ZXLWYVDQXLLPNN-MRXNPFEDSA-N 1 0 328.431 4.108 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1F ZINC000785552451 1046710013 /nfs/dbraw/zinc/71/00/13/1046710013.db2.gz SPWIWFFKDBRUIW-SFHVURJKSA-N 1 0 346.421 4.424 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785573439 1046722267 /nfs/dbraw/zinc/72/22/67/1046722267.db2.gz PXGVPNKWBYUBSE-XGHQBKJUSA-N 1 0 326.484 4.351 20 10 EICDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC1CC(O)C1 ZINC000785984137 1046798640 /nfs/dbraw/zinc/79/86/40/1046798640.db2.gz GFRGVCKRTBPUHN-UHFFFAOYSA-N 1 0 333.516 4.190 20 10 EICDRO COc1cccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1O ZINC000787299081 1046973535 /nfs/dbraw/zinc/97/35/35/1046973535.db2.gz WZNQNWWSJDYHRU-UHFFFAOYSA-N 1 0 329.362 4.146 20 10 EICDRO FC(F)(F)C12CCC([NH2+]Cc3ccc4c(c3)CCO4)(CC1)CC2 ZINC000787298156 1046976106 /nfs/dbraw/zinc/97/61/06/1046976106.db2.gz HFPAVYXIZXKFGL-UHFFFAOYSA-N 1 0 325.374 4.366 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000917831502 1047174111 /nfs/dbraw/zinc/17/41/11/1047174111.db2.gz DBFVJJRTIGPDLA-LJQANCHMSA-N 1 0 338.495 4.229 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806181654 1047190881 /nfs/dbraw/zinc/19/08/81/1047190881.db2.gz ZVALMITYZGDKIQ-PXNSSMCTSA-N 1 0 346.902 4.223 20 10 EICDRO C[NH+](C)[C@@H]1CCOc2c(NCc3cc(Cl)ccc3O)cccc21 ZINC000788532700 1047231510 /nfs/dbraw/zinc/23/15/10/1047231510.db2.gz SQGMBWINKQKZFL-MRXNPFEDSA-N 1 0 332.831 4.043 20 10 EICDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cc([N+](=O)[O-])ccc21 ZINC000788575566 1047235360 /nfs/dbraw/zinc/23/53/60/1047235360.db2.gz BGSCOJLOKDENSG-GOSISDBHSA-N 1 0 338.407 4.042 20 10 EICDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000788614671 1047249498 /nfs/dbraw/zinc/24/94/98/1047249498.db2.gz UEMOKTJLVZVLJO-JKSUJKDBSA-N 1 0 329.440 4.136 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000788613511 1047250314 /nfs/dbraw/zinc/25/03/14/1047250314.db2.gz XODGVORWSLUVIW-OXQOHEQNSA-N 1 0 343.467 4.180 20 10 EICDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](O)c1ccccc1 ZINC000788622549 1047254271 /nfs/dbraw/zinc/25/42/71/1047254271.db2.gz RIFOHCNESGQMBV-AGRHKRQWSA-N 1 0 333.859 4.454 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000788977998 1047349262 /nfs/dbraw/zinc/34/92/62/1047349262.db2.gz KETZZOQKHHAGEN-HLAWJBBLSA-N 1 0 330.516 4.218 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C2(CCOCc3ccccc3)CC2)c1 ZINC000760447288 1047373397 /nfs/dbraw/zinc/37/33/97/1047373397.db2.gz VJBZTFKRCIIOLY-UHFFFAOYSA-N 1 0 341.451 4.020 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)oc1ccccc12 ZINC000789569420 1047441051 /nfs/dbraw/zinc/44/10/51/1047441051.db2.gz ZQZZNRAMKUGXEW-OAQYLSRUSA-N 1 0 337.419 4.294 20 10 EICDRO CCOc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c(O)c1 ZINC000897998145 1047525780 /nfs/dbraw/zinc/52/57/80/1047525780.db2.gz PFZSHXBVOPVIID-LJQANCHMSA-N 1 0 328.456 4.371 20 10 EICDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)CC[C@@H]1C(F)(F)F ZINC000790460109 1047593772 /nfs/dbraw/zinc/59/37/72/1047593772.db2.gz KZLIMZVJYBBWQY-INIZCTEOSA-N 1 0 338.373 4.351 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1O ZINC000898322652 1047614071 /nfs/dbraw/zinc/61/40/71/1047614071.db2.gz OVDLGBBUCXWKJL-MRXNPFEDSA-N 1 0 347.256 4.099 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000154812089 1047649363 /nfs/dbraw/zinc/64/93/63/1047649363.db2.gz MUESTCXEYHOFON-SJORKVTESA-N 1 0 334.467 4.350 20 10 EICDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3F)cc2Cl)C1 ZINC000824339097 1047856495 /nfs/dbraw/zinc/85/64/95/1047856495.db2.gz OFSWZLXABWMIGN-AWEZNQCLSA-N 1 0 347.865 4.400 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000824522354 1047881503 /nfs/dbraw/zinc/88/15/03/1047881503.db2.gz VICHXAPVZOTLRY-UHFFFAOYSA-N 1 0 341.304 4.209 20 10 EICDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccccc1O ZINC000808384850 1047890506 /nfs/dbraw/zinc/89/05/06/1047890506.db2.gz GNCUGVBGYFGQPK-NSHDSACASA-N 1 0 338.220 4.015 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824926828 1047995791 /nfs/dbraw/zinc/99/57/91/1047995791.db2.gz HXENCMZUIBHOPM-WMLDXEAASA-N 1 0 335.831 4.035 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccccc2O)cc(NC(=O)OC(C)(C)C)c1 ZINC000824999852 1048008200 /nfs/dbraw/zinc/00/82/00/1048008200.db2.gz SBVAYMIVYOEORK-UHFFFAOYSA-N 1 0 342.439 4.337 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(C(F)(F)F)cc1O ZINC000825004959 1048010895 /nfs/dbraw/zinc/01/08/95/1048010895.db2.gz AKMRDNPNUSELJK-SMDDNHRTSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1Cl ZINC000825044635 1048025346 /nfs/dbraw/zinc/02/53/46/1048025346.db2.gz YNGWOLQFZHTRHM-UHFFFAOYSA-N 1 0 327.758 4.245 20 10 EICDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825058947 1048027736 /nfs/dbraw/zinc/02/77/36/1048027736.db2.gz ORJNPPVMDOZTKD-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000825090588 1048035020 /nfs/dbraw/zinc/03/50/20/1048035020.db2.gz BYZLHAPEKSTAFH-FVQBIDKESA-N 1 0 327.424 4.006 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000808687566 1048038815 /nfs/dbraw/zinc/03/88/15/1048038815.db2.gz SRJVSQKSFKWBOW-LBPRGKRZSA-N 1 0 336.838 4.410 20 10 EICDRO Cc1ccc2nc(C[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)cn2c1 ZINC000808690898 1048039268 /nfs/dbraw/zinc/03/92/68/1048039268.db2.gz GSNHCQIXXFOOQX-CYBMUJFWSA-N 1 0 329.831 4.161 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000825144965 1048042769 /nfs/dbraw/zinc/04/27/69/1048042769.db2.gz UGTGWVBXBXXKMK-UHFFFAOYSA-N 1 0 326.431 4.173 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1O ZINC000808674524 1048045730 /nfs/dbraw/zinc/04/57/30/1048045730.db2.gz UMNRLRXQUPHBQC-WBMJQRKESA-N 1 0 338.904 4.369 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cn1 ZINC000808678546 1048048821 /nfs/dbraw/zinc/04/88/21/1048048821.db2.gz SWIZBWMEHUMZKU-CQSZACIVSA-N 1 0 347.890 4.446 20 10 EICDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808677004 1048049210 /nfs/dbraw/zinc/04/92/10/1048049210.db2.gz VWZLNMJAPOIZHB-GFCCVEGCSA-N 1 0 332.831 4.163 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1O ZINC000808706273 1048053338 /nfs/dbraw/zinc/05/33/38/1048053338.db2.gz GKLPHZBMRYCJJM-GRDNDAEWSA-N 1 0 325.880 4.336 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000808706644 1048053605 /nfs/dbraw/zinc/05/36/05/1048053605.db2.gz PYFPFUDNDDQSTI-QEORTHHSSA-N 1 0 341.904 4.059 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000808709180 1048054799 /nfs/dbraw/zinc/05/47/99/1048054799.db2.gz VNHJWTSJROCXHQ-SGTLLEGYSA-N 1 0 337.822 4.051 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O ZINC000808712043 1048059072 /nfs/dbraw/zinc/05/90/72/1048059072.db2.gz ZUUZGHUYKWKCSE-WPPQDWHVSA-N 1 0 335.875 4.352 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1O ZINC000808694872 1048078250 /nfs/dbraw/zinc/07/82/50/1048078250.db2.gz GVYRBDGNJAGMGH-RYUDHWBXSA-N 1 0 347.846 4.256 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1O ZINC000808696725 1048078796 /nfs/dbraw/zinc/07/87/96/1048078796.db2.gz SDWIBXNYQXXIDS-PZROIBLQSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000808697853 1048080042 /nfs/dbraw/zinc/08/00/42/1048080042.db2.gz XJFMRPPKPBXOCF-GOEBONIOSA-N 1 0 333.859 4.171 20 10 EICDRO COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(F)c(F)c1 ZINC000825405954 1048087704 /nfs/dbraw/zinc/08/77/04/1048087704.db2.gz LSGZFVRSCOXJRX-INIZCTEOSA-N 1 0 341.785 4.110 20 10 EICDRO Cc1ccccc1-c1cnc(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000844219921 1048225585 /nfs/dbraw/zinc/22/55/85/1048225585.db2.gz OWUSHOOYCRPIOC-UHFFFAOYSA-N 1 0 333.435 4.062 20 10 EICDRO Cc1cc(CN(Cc2ccco2)Cc2cccnc2)ccc1N(C)C ZINC000815079262 1048322285 /nfs/dbraw/zinc/32/22/85/1048322285.db2.gz PLYOPVOIFUSHOY-UHFFFAOYSA-N 1 0 335.451 4.251 20 10 EICDRO CCc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000919941350 1048323293 /nfs/dbraw/zinc/32/32/93/1048323293.db2.gz XWRDVQJNRWZJKA-MRXNPFEDSA-N 1 0 331.500 4.253 20 10 EICDRO COc1ccc2ccc(O)c(C[N@H+](C)CCc3ccc(F)cc3)c2c1 ZINC000919948005 1048330840 /nfs/dbraw/zinc/33/08/40/1048330840.db2.gz FHOZQFYSHSUABK-UHFFFAOYSA-N 1 0 339.410 4.368 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000815093558 1048341272 /nfs/dbraw/zinc/34/12/72/1048341272.db2.gz NXBOUPRLIZXBOV-AOMKIAJQSA-N 1 0 334.463 4.290 20 10 EICDRO COc1cc(CC[NH2+]Cc2c(O)cccc2Cl)ccc1Cl ZINC000815164585 1048356575 /nfs/dbraw/zinc/35/65/75/1048356575.db2.gz YDTRLZSRXKSWSY-UHFFFAOYSA-N 1 0 326.223 4.040 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2occc2c1)C[C@@H]1CCCO1 ZINC000809538868 1048399460 /nfs/dbraw/zinc/39/94/60/1048399460.db2.gz UNBJDHBEDIRYNU-IBGZPJMESA-N 1 0 337.419 4.320 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809699993 1048464329 /nfs/dbraw/zinc/46/43/29/1048464329.db2.gz VPEBRQGUGGHARZ-GUDVDZBRSA-N 1 0 343.854 4.050 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)cc1C ZINC000809703434 1048483333 /nfs/dbraw/zinc/48/33/33/1048483333.db2.gz QDRAGCGMJDAPCU-JOCHJYFZSA-N 1 0 339.479 4.263 20 10 EICDRO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809704226 1048487982 /nfs/dbraw/zinc/48/79/82/1048487982.db2.gz WMSDRLNCROIGNQ-UWJYYQICSA-N 1 0 336.479 4.118 20 10 EICDRO CN1CCC([N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2O)CC1 ZINC000809767065 1048500200 /nfs/dbraw/zinc/50/02/00/1048500200.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 1 0 344.886 4.142 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000809769070 1048504167 /nfs/dbraw/zinc/50/41/67/1048504167.db2.gz GIVBZLZTNPFJLL-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO COc1ccc(C2CCC([NH2+]Cc3cccc(OC)c3O)CC2)cc1 ZINC000809739699 1048509877 /nfs/dbraw/zinc/50/98/77/1048509877.db2.gz BUELTSRIHAIZOV-UHFFFAOYSA-N 1 0 341.451 4.225 20 10 EICDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)CC1 ZINC000815564365 1048510947 /nfs/dbraw/zinc/51/09/47/1048510947.db2.gz GSBKSASLSRKPJW-NRFANRHFSA-N 1 0 342.527 4.098 20 10 EICDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815565857 1048511515 /nfs/dbraw/zinc/51/15/15/1048511515.db2.gz BTEAUVNTVWKVMF-IAGOWNOFSA-N 1 0 342.458 4.383 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000809740761 1048512514 /nfs/dbraw/zinc/51/25/14/1048512514.db2.gz CTOQPKXHXLCYEO-SJORKVTESA-N 1 0 331.843 4.480 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCC1CC1 ZINC000815578724 1048518388 /nfs/dbraw/zinc/51/83/88/1048518388.db2.gz UTWMTJYVVJZDJW-HXUWFJFHSA-N 1 0 325.452 4.082 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809756343 1048521420 /nfs/dbraw/zinc/52/14/20/1048521420.db2.gz GLIPENSYBILZAR-SFHVURJKSA-N 1 0 343.471 4.248 20 10 EICDRO CC[C@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815587792 1048524859 /nfs/dbraw/zinc/52/48/59/1048524859.db2.gz TXRKWCSKPPDCHK-XLIONFOSSA-N 1 0 327.468 4.064 20 10 EICDRO CC[C@@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595263 1048529016 /nfs/dbraw/zinc/52/90/16/1048529016.db2.gz MEHNQWUPSHWQHX-UYAOXDASSA-N 1 0 327.468 4.207 20 10 EICDRO OCCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815597585 1048531791 /nfs/dbraw/zinc/53/17/91/1048531791.db2.gz ZSFHJEGZDVTVHW-HXUWFJFHSA-N 1 0 339.479 4.208 20 10 EICDRO CC(C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815572234 1048534871 /nfs/dbraw/zinc/53/48/71/1048534871.db2.gz XVVJVFJRVUGURV-AZUAARDMSA-N 1 0 327.468 4.063 20 10 EICDRO OCC[C@@H]1CCC[C@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815618990 1048546480 /nfs/dbraw/zinc/54/64/80/1048546480.db2.gz ZJUWPZOBSITKQK-CEWLAPEOSA-N 1 0 339.479 4.207 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c(O)c1 ZINC000815627952 1048550195 /nfs/dbraw/zinc/55/01/95/1048550195.db2.gz OEMOVCKVBXBDAH-LIRRHRJNSA-N 1 0 331.481 4.209 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000815627270 1048550708 /nfs/dbraw/zinc/55/07/08/1048550708.db2.gz XSYJEPPLKGSXBQ-GOEBONIOSA-N 1 0 333.859 4.089 20 10 EICDRO CSc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N(C)C)cc1 ZINC000815660096 1048561054 /nfs/dbraw/zinc/56/10/54/1048561054.db2.gz RHCUQFMQUVJNKN-FZKQIMNGSA-N 1 0 348.487 4.207 20 10 EICDRO CC(C)(C)C1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000920180448 1048561116 /nfs/dbraw/zinc/56/11/16/1048561116.db2.gz AUZBBGBRPVEUJE-UHFFFAOYSA-N 1 0 330.516 4.218 20 10 EICDRO FC(F)(F)c1cscc1C[NH2+]CCCSc1nccs1 ZINC000810145622 1048636858 /nfs/dbraw/zinc/63/68/58/1048636858.db2.gz FPCFDNBQBDPABP-UHFFFAOYSA-N 1 0 338.445 4.495 20 10 EICDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920416652 1048670506 /nfs/dbraw/zinc/67/05/06/1048670506.db2.gz UOVKYSHUBYUQRT-ZDUSSCGKSA-N 1 0 346.268 4.105 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1O ZINC000810211842 1048680776 /nfs/dbraw/zinc/68/07/76/1048680776.db2.gz IIMMXNYVYWUHLX-INIZCTEOSA-N 1 0 339.357 4.400 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(C(F)(F)F)cc1O ZINC000810217291 1048686425 /nfs/dbraw/zinc/68/64/25/1048686425.db2.gz ZYYXXMCQZBJNNT-INIZCTEOSA-N 1 0 339.357 4.144 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810219653 1048687579 /nfs/dbraw/zinc/68/75/79/1048687579.db2.gz UTIGHUVSCWSRMD-ZDUSSCGKSA-N 1 0 348.288 4.069 20 10 EICDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220873 1048687958 /nfs/dbraw/zinc/68/79/58/1048687958.db2.gz GGKLKOCMHYMGOF-KYOSRNDESA-N 1 0 333.394 4.249 20 10 EICDRO CCc1cc(C[NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)on1 ZINC000810219820 1048688568 /nfs/dbraw/zinc/68/85/68/1048688568.db2.gz NLHPJPMIODGKBW-CQSZACIVSA-N 1 0 328.334 4.202 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C(F)(F)F)cc1O ZINC000810221130 1048688633 /nfs/dbraw/zinc/68/86/33/1048688633.db2.gz APMAXSRQSXMPNB-WBMJQRKESA-N 1 0 338.373 4.478 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1O ZINC000810219985 1048688894 /nfs/dbraw/zinc/68/88/94/1048688894.db2.gz NXHTWRMZOFBINT-ZFWWWQNUSA-N 1 0 343.345 4.087 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810220168 1048688929 /nfs/dbraw/zinc/68/89/29/1048688929.db2.gz RCAXTJNKTUKCHJ-OCVGTWLNSA-N 1 0 343.389 4.265 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810221628 1048689908 /nfs/dbraw/zinc/68/99/08/1048689908.db2.gz ILPRLLHKLYMCAA-GHJWDPDVSA-N 1 0 342.405 4.077 20 10 EICDRO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1O ZINC000810226379 1048694643 /nfs/dbraw/zinc/69/46/43/1048694643.db2.gz FDHXEESWFNAKEQ-SMDDNHRTSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@@H]([NH2+]CCCOCC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208057 1048703023 /nfs/dbraw/zinc/70/30/23/1048703023.db2.gz SHNJQBRZKLJNKU-OAHLLOKOSA-N 1 0 331.378 4.268 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(N2CCCCC2=O)cc1 ZINC000810262137 1048711121 /nfs/dbraw/zinc/71/11/21/1048711121.db2.gz MEFSXUJNDIHAOA-HOTGVXAUSA-N 1 0 338.451 4.321 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000810259726 1048711540 /nfs/dbraw/zinc/71/15/40/1048711540.db2.gz QWRSLTXACPTNSW-DNVCBOLYSA-N 1 0 334.479 4.018 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810259681 1048712452 /nfs/dbraw/zinc/71/24/52/1048712452.db2.gz PEZPAVXYYHDSEC-HUUCEWRRSA-N 1 0 331.378 4.003 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(Cl)ccc1O ZINC000810253476 1048731995 /nfs/dbraw/zinc/73/19/95/1048731995.db2.gz VBNDFHLCELRAGS-APPDUMDISA-N 1 0 337.872 4.246 20 10 EICDRO C[N@H+](Cc1cc2cnccc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000845902270 1048758817 /nfs/dbraw/zinc/75/88/17/1048758817.db2.gz CJUXBLDGHKRDPA-UHFFFAOYSA-N 1 0 335.451 4.450 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)c1 ZINC000845971200 1048772045 /nfs/dbraw/zinc/77/20/45/1048772045.db2.gz IGXBDINGCGRNHR-NSHDSACASA-N 1 0 328.437 4.170 20 10 EICDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845973138 1048772252 /nfs/dbraw/zinc/77/22/52/1048772252.db2.gz XXYKVKQCGBXRMJ-RBFDBLARSA-N 1 0 341.451 4.301 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000845972346 1048772386 /nfs/dbraw/zinc/77/23/86/1048772386.db2.gz NFTSUWFQBVAOEW-SNVBAGLBSA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)c1 ZINC000845972799 1048773543 /nfs/dbraw/zinc/77/35/43/1048773543.db2.gz ULQHWMMFVXXABN-YESZJQIVSA-N 1 0 340.467 4.481 20 10 EICDRO Oc1c(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000816495394 1048814586 /nfs/dbraw/zinc/81/45/86/1048814586.db2.gz VQPGOAUJBPRQFK-UHFFFAOYSA-N 1 0 332.447 4.258 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846105634 1048822417 /nfs/dbraw/zinc/82/24/17/1048822417.db2.gz XHAKVFJUEXCVOP-CQSZACIVSA-N 1 0 346.215 4.084 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1O ZINC000846150546 1048823475 /nfs/dbraw/zinc/82/34/75/1048823475.db2.gz RGUVPXZVHSJODF-HOTGVXAUSA-N 1 0 340.467 4.413 20 10 EICDRO Oc1c(C[NH2+]CCCn2cnc3ccccc32)ccc2ccccc21 ZINC000816530428 1048824267 /nfs/dbraw/zinc/82/42/67/1048824267.db2.gz HYNWGROADRCRHB-UHFFFAOYSA-N 1 0 331.419 4.075 20 10 EICDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846156764 1048824418 /nfs/dbraw/zinc/82/44/18/1048824418.db2.gz YBLUTGQGXYMWRT-KBPBESRZSA-N 1 0 339.439 4.182 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)c1O ZINC000846155717 1048824818 /nfs/dbraw/zinc/82/48/18/1048824818.db2.gz VPNIPIBLDJUZDQ-YVEFUNNKSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1O ZINC000846158194 1048825625 /nfs/dbraw/zinc/82/56/25/1048825625.db2.gz UQFVVSWKRJTDDB-BXWFABGCSA-N 1 0 341.451 4.219 20 10 EICDRO Oc1c(C[NH2+]Cc2ccccc2-n2ccnc2)ccc2ccccc21 ZINC000816539185 1048826676 /nfs/dbraw/zinc/82/66/76/1048826676.db2.gz VOUODESPCOAWIU-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167120 1048827229 /nfs/dbraw/zinc/82/72/29/1048827229.db2.gz GSEXLCCRVJGVAJ-IUCAKERBSA-N 1 0 346.374 4.288 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)c1O ZINC000846143175 1048831404 /nfs/dbraw/zinc/83/14/04/1048831404.db2.gz IGPFROVDQKLHJI-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC(C)C)c1O ZINC000846143171 1048831644 /nfs/dbraw/zinc/83/16/44/1048831644.db2.gz IGPFROVDQKLHJI-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3s2)c1O ZINC000846144310 1048831911 /nfs/dbraw/zinc/83/19/11/1048831911.db2.gz KHNOPYPUZNWDST-RYUDHWBXSA-N 1 0 328.437 4.422 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2ccccc2C(F)(F)F)c1O ZINC000846143562 1048831997 /nfs/dbraw/zinc/83/19/97/1048831997.db2.gz JJVWRZYISJKEEN-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO C[C@@H](O)C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816556945 1048833831 /nfs/dbraw/zinc/83/38/31/1048833831.db2.gz YVELMJFNNCGTBR-OXQOHEQNSA-N 1 0 335.447 4.190 20 10 EICDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846208189 1048834139 /nfs/dbraw/zinc/83/41/39/1048834139.db2.gz WSXGIAVRSBMWMW-AWEZNQCLSA-N 1 0 334.891 4.160 20 10 EICDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000846209945 1048834333 /nfs/dbraw/zinc/83/43/33/1048834333.db2.gz JGTJZVZPWLMZEQ-GOSISDBHSA-N 1 0 330.516 4.270 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1ccc([S@@](C)=O)cc1 ZINC000816559396 1048835542 /nfs/dbraw/zinc/83/55/42/1048835542.db2.gz JBKCAMOXHUIUIW-JBEBIEQOSA-N 1 0 339.460 4.134 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)[C@H](C)O)cc1 ZINC000846181499 1048835800 /nfs/dbraw/zinc/83/58/00/1048835800.db2.gz BOINGSSGLGEAGI-AVYPCKFXSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000846185494 1048837228 /nfs/dbraw/zinc/83/72/28/1048837228.db2.gz AGVDQIDHAMLXIE-SZNDQCEHSA-N 1 0 329.484 4.127 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000921068925 1048840686 /nfs/dbraw/zinc/84/06/86/1048840686.db2.gz FQOSPPDOYGWPHE-NRFANRHFSA-N 1 0 344.474 4.275 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1OC ZINC000816632158 1048851255 /nfs/dbraw/zinc/85/12/55/1048851255.db2.gz WSENMVOTMJXNBN-CQSZACIVSA-N 1 0 347.842 4.052 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)cc1 ZINC001170614821 1048859879 /nfs/dbraw/zinc/85/98/79/1048859879.db2.gz QLIRHJXCBBDVIR-UHFFFAOYSA-N 1 0 338.495 4.060 20 10 EICDRO CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000817415023 1048966847 /nfs/dbraw/zinc/96/68/47/1048966847.db2.gz RPBYLLSGGIJONL-AWEZNQCLSA-N 1 0 331.378 4.147 20 10 EICDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000817415562 1048967574 /nfs/dbraw/zinc/96/75/74/1048967574.db2.gz UZPSTMWUMVKLNO-MJGOQNOKSA-N 1 0 344.524 4.432 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCO1 ZINC000817587585 1049019205 /nfs/dbraw/zinc/01/92/05/1049019205.db2.gz ZDDPBWNUNYLMDY-BPQIPLTHSA-N 1 0 334.479 4.424 20 10 EICDRO C[C@H]1C[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942500 1049061125 /nfs/dbraw/zinc/06/11/25/1049061125.db2.gz PANPIQZZWQOHRS-ZLIFDBKOSA-N 1 0 347.553 4.029 20 10 EICDRO C[C@H]1C[C@@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942498 1049062236 /nfs/dbraw/zinc/06/22/36/1049062236.db2.gz PANPIQZZWQOHRS-JCURWCKSSA-N 1 0 347.553 4.029 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1OC(F)F ZINC000817955942 1049067206 /nfs/dbraw/zinc/06/72/06/1049067206.db2.gz LWBSNBAPLLETPQ-NSHDSACASA-N 1 0 340.801 4.417 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000817955624 1049067847 /nfs/dbraw/zinc/06/78/47/1049067847.db2.gz DCJAQNYDKBZYME-CYBMUJFWSA-N 1 0 338.373 4.103 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(Cl)cc1[O-] ZINC000817967663 1049071928 /nfs/dbraw/zinc/07/19/28/1049071928.db2.gz AESDAGPAIYMIMB-JTQLQIEISA-N 1 0 337.250 4.153 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000817975197 1049073769 /nfs/dbraw/zinc/07/37/69/1049073769.db2.gz JZODSMXSAIVMSA-DYVFJYSZSA-N 1 0 326.440 4.236 20 10 EICDRO CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817980686 1049078155 /nfs/dbraw/zinc/07/81/55/1049078155.db2.gz MPTNXBIRYRXWFR-SWLSCSKDSA-N 1 0 331.287 4.272 20 10 EICDRO CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980122 1049078260 /nfs/dbraw/zinc/07/82/60/1049078260.db2.gz IWGUYHXSKZAESK-RISCZKNCSA-N 1 0 331.287 4.272 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccc3F)C2)cc1 ZINC000818116888 1049091372 /nfs/dbraw/zinc/09/13/72/1049091372.db2.gz RCYPDWWPVJLWPE-HOTGVXAUSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cscc3Cl)C2)cc1 ZINC000818219369 1049111627 /nfs/dbraw/zinc/11/16/27/1049111627.db2.gz CLZFCLFOLMOBOI-ZDUSSCGKSA-N 1 0 336.888 4.026 20 10 EICDRO Cc1ccc(O)c(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000811513163 1049125885 /nfs/dbraw/zinc/12/58/85/1049125885.db2.gz XJUZARPDTKCXGL-UHFFFAOYSA-N 1 0 340.398 4.361 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CCc3ccsc3)C2)cc1 ZINC000818343173 1049134795 /nfs/dbraw/zinc/13/47/95/1049134795.db2.gz YZBPIDYZCZTAGC-FUHWJXTLSA-N 1 0 344.524 4.194 20 10 EICDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773045505 1049548899 /nfs/dbraw/zinc/54/88/99/1049548899.db2.gz WQGURHGHZQMCLZ-INIZCTEOSA-N 1 0 334.479 4.283 20 10 EICDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C1CC1 ZINC000812735220 1049555535 /nfs/dbraw/zinc/55/55/35/1049555535.db2.gz XTZOBYZDXBTUMI-MGPUTAFESA-N 1 0 334.479 4.282 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1 ZINC000773100309 1049582464 /nfs/dbraw/zinc/58/24/64/1049582464.db2.gz UCYHCWYKPYNINC-UTKZUKDTSA-N 1 0 338.495 4.307 20 10 EICDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118847 1049589878 /nfs/dbraw/zinc/58/98/78/1049589878.db2.gz QMHNOJUQJRXRKQ-RHSMWYFYSA-N 1 0 344.421 4.031 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000812835094 1049603681 /nfs/dbraw/zinc/60/36/81/1049603681.db2.gz LQSVEULGWCSAMM-SFTDATJTSA-N 1 0 328.500 4.222 20 10 EICDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773152153 1049613556 /nfs/dbraw/zinc/61/35/56/1049613556.db2.gz QPDARNGZZDRODL-FAEJEUNOSA-N 1 0 346.515 4.304 20 10 EICDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccccc1O ZINC000037000694 1049654096 /nfs/dbraw/zinc/65/40/96/1049654096.db2.gz BBONWJHEQTWWEB-STQMWFEESA-N 1 0 334.257 4.437 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831757 1049658126 /nfs/dbraw/zinc/65/81/26/1049658126.db2.gz SHNYJGVTHRTCHH-IAGOWNOFSA-N 1 0 331.500 4.247 20 10 EICDRO COc1cc(C)cc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1O ZINC000773253605 1049672540 /nfs/dbraw/zinc/67/25/40/1049672540.db2.gz VHXOTTRMGGXHTH-UHFFFAOYSA-N 1 0 344.842 4.047 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(F)cc1F ZINC000179638563 1049708821 /nfs/dbraw/zinc/70/88/21/1049708821.db2.gz SBGFPTWBOZQYMQ-KRWDZBQOSA-N 1 0 337.341 4.253 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462858 1049713924 /nfs/dbraw/zinc/71/39/24/1049713924.db2.gz KRPCHVKNKQLTBT-GOSISDBHSA-N 1 0 339.385 4.471 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](CC)c2ccccc2OC)ccc1OC ZINC000747854548 1049764651 /nfs/dbraw/zinc/76/46/51/1049764651.db2.gz NMRZCDGGDFYZNJ-IBGZPJMESA-N 1 0 343.467 4.481 20 10 EICDRO CCOCc1cc(C[NH2+]CCSc2ccc(C)cc2)ccc1OC ZINC000747854102 1049766827 /nfs/dbraw/zinc/76/68/27/1049766827.db2.gz MDYCYDIRCNIBDE-UHFFFAOYSA-N 1 0 345.508 4.422 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001171791477 1049804604 /nfs/dbraw/zinc/80/46/04/1049804604.db2.gz LYNMBZAFJMRDLI-HXUWFJFHSA-N 1 0 326.459 4.489 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000216679807 1049828655 /nfs/dbraw/zinc/82/86/55/1049828655.db2.gz HNHFXQAYOQHLPM-NRFANRHFSA-N 1 0 337.394 4.258 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000813884703 1049831191 /nfs/dbraw/zinc/83/11/91/1049831191.db2.gz KYDNOEOHPMQALM-CKFHNAJUSA-N 1 0 330.497 4.167 20 10 EICDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1OCCc2sccc21 ZINC000813885816 1049831343 /nfs/dbraw/zinc/83/13/43/1049831343.db2.gz XVDJDEOVXVIRIV-CMJSEYCZSA-N 1 0 347.455 4.433 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000823931623 1049888629 /nfs/dbraw/zinc/88/86/29/1049888629.db2.gz ODADTPWWRDQZDW-MJGOQNOKSA-N 1 0 344.524 4.025 20 10 EICDRO C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccc(N(C)C)cc1 ZINC000824195685 1049905367 /nfs/dbraw/zinc/90/53/67/1049905367.db2.gz JJPWFSZQSGVEFA-LBPRGKRZSA-N 1 0 329.831 4.398 20 10 EICDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Br)cc1O)CC2 ZINC001172830962 1050168792 /nfs/dbraw/zinc/16/87/92/1050168792.db2.gz LNJMPPTUERGDHW-KRWDZBQOSA-N 1 0 346.268 4.110 20 10 EICDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177334725 1050194263 /nfs/dbraw/zinc/19/42/63/1050194263.db2.gz YOLLZSBFHNTNSN-HKUYNNGSSA-N 1 0 348.506 4.357 20 10 EICDRO CCCOc1ccc(C[NH2+]CCN2c3ccccc3C[C@H]2C)cc1C ZINC001177515083 1050233990 /nfs/dbraw/zinc/23/39/90/1050233990.db2.gz ABFRUHQOIMNNOS-GOSISDBHSA-N 1 0 338.495 4.325 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccc(OCC(F)F)cc3)ccc21 ZINC001177529720 1050242886 /nfs/dbraw/zinc/24/28/86/1050242886.db2.gz UOVJYIGBTUQYPS-UHFFFAOYSA-N 1 0 346.421 4.003 20 10 EICDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001177729127 1050280024 /nfs/dbraw/zinc/28/00/24/1050280024.db2.gz HWWKABFUOXEZCB-CHWSQXEVSA-N 1 0 326.278 4.459 20 10 EICDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1O ZINC001173083031 1050296305 /nfs/dbraw/zinc/29/63/05/1050296305.db2.gz PQOSMIJWDJJFNK-GFCCVEGCSA-N 1 0 325.330 4.012 20 10 EICDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cc1O ZINC001173216021 1050351214 /nfs/dbraw/zinc/35/12/14/1050351214.db2.gz BLWMDFOUBRYDKF-AWEZNQCLSA-N 1 0 336.391 4.174 20 10 EICDRO COc1cc(C[NH2+]CCc2ccc(F)cc2C)c(O)c(C(C)(C)C)c1 ZINC001177991103 1050362629 /nfs/dbraw/zinc/36/26/29/1050362629.db2.gz USJUJFWLQZCRGU-UHFFFAOYSA-N 1 0 345.458 4.478 20 10 EICDRO C[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001178464370 1050476844 /nfs/dbraw/zinc/47/68/44/1050476844.db2.gz XHVHTDDUVAOPCQ-GFCCVEGCSA-N 1 0 331.287 4.053 20 10 EICDRO Cc1cc(C[NH2+]Cc2cccc3nccn32)c(C)n1-c1ccccc1 ZINC001203357247 1050532213 /nfs/dbraw/zinc/53/22/13/1050532213.db2.gz ILGYGOCKKPQRDZ-UHFFFAOYSA-N 1 0 330.435 4.032 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(CC)cc2)cc1C ZINC001178694562 1050533542 /nfs/dbraw/zinc/53/35/42/1050533542.db2.gz OGYCAJHEDOXHIX-FQEVSTJZSA-N 1 0 327.468 4.169 20 10 EICDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC001178773577 1050558742 /nfs/dbraw/zinc/55/87/42/1050558742.db2.gz AGFGAGURPHIXEZ-NHCUHLMSSA-N 1 0 332.532 4.056 20 10 EICDRO CO[C@@](C)(C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1CC1 ZINC001178777589 1050562278 /nfs/dbraw/zinc/56/22/78/1050562278.db2.gz BBYSUGPYGSBAHE-FQEVSTJZSA-N 1 0 344.524 4.289 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1O ZINC000813872645 1050577659 /nfs/dbraw/zinc/57/76/59/1050577659.db2.gz ISIMZIVHLGODKS-SECBINFHSA-N 1 0 334.204 4.159 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000775139738 1050599694 /nfs/dbraw/zinc/59/96/94/1050599694.db2.gz GFDCKWLKMJPCKS-QGZVFWFLSA-N 1 0 339.483 4.087 20 10 EICDRO OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001178986492 1050605432 /nfs/dbraw/zinc/60/54/32/1050605432.db2.gz NAVUNRNQUJRSBD-HXUWFJFHSA-N 1 0 330.516 4.098 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(Br)c2)c1 ZINC000182410874 1050648405 /nfs/dbraw/zinc/64/84/05/1050648405.db2.gz DYMSPVKHRWGZIR-SECBINFHSA-N 1 0 342.258 4.076 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000773809301 1050659882 /nfs/dbraw/zinc/65/98/82/1050659882.db2.gz AXGOAUQVZLRUCO-KRWDZBQOSA-N 1 0 348.494 4.488 20 10 EICDRO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(C)n1-c1ccccc1 ZINC001179333324 1050678003 /nfs/dbraw/zinc/67/80/03/1050678003.db2.gz UJNGSOYGOVIXMV-UHFFFAOYSA-N 1 0 348.372 4.126 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000773813773 1050704229 /nfs/dbraw/zinc/70/42/29/1050704229.db2.gz WBZOAGRXWRLTQX-AWEZNQCLSA-N 1 0 346.446 4.150 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000780722475 1050796453 /nfs/dbraw/zinc/79/64/53/1050796453.db2.gz IVPZPUTUYKKSOX-PKOBYXMFSA-N 1 0 330.516 4.360 20 10 EICDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775206049 1050859924 /nfs/dbraw/zinc/85/99/24/1050859924.db2.gz UGGCKDUBZPQCIQ-IBGZPJMESA-N 1 0 347.462 4.172 20 10 EICDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775206050 1050859995 /nfs/dbraw/zinc/85/99/95/1050859995.db2.gz UGGCKDUBZPQCIQ-LJQANCHMSA-N 1 0 347.462 4.172 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)c1O ZINC001180345318 1050962336 /nfs/dbraw/zinc/96/23/36/1050962336.db2.gz UXIIZACBBRUUCL-ORAYPTAESA-N 1 0 333.859 4.474 20 10 EICDRO Cc1ccc([C@@H](C)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001180429504 1050986742 /nfs/dbraw/zinc/98/67/42/1050986742.db2.gz BOGQKDNCHNBDFC-RXVVDRJESA-N 1 0 339.479 4.485 20 10 EICDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000183250813 1051040813 /nfs/dbraw/zinc/04/08/13/1051040813.db2.gz IDOVBNOYXRFTSH-INIZCTEOSA-N 1 0 329.513 4.369 20 10 EICDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180962002 1051120922 /nfs/dbraw/zinc/12/09/22/1051120922.db2.gz IZLMMFCSBSVBPM-IBGZPJMESA-N 1 0 333.859 4.209 20 10 EICDRO CC(=O)c1ccc(OCc2ccccc2)c(Nc2cc[nH+]c(C)c2)c1O ZINC001174657848 1051128267 /nfs/dbraw/zinc/12/82/67/1051128267.db2.gz RXBBDLUSSWEDDJ-UHFFFAOYSA-N 1 0 348.402 4.043 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccc(N(C)C)cc1 ZINC000775363889 1051129450 /nfs/dbraw/zinc/12/94/50/1051129450.db2.gz NEDYAGMHLHDYTH-MRXNPFEDSA-N 1 0 348.450 4.186 20 10 EICDRO CCCOc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775365831 1051135330 /nfs/dbraw/zinc/13/53/30/1051135330.db2.gz XYEJZUGVBBDHCO-INIZCTEOSA-N 1 0 342.483 4.401 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000775365650 1051135389 /nfs/dbraw/zinc/13/53/89/1051135389.db2.gz VRAINTMWBHZJDR-CYBMUJFWSA-N 1 0 348.874 4.274 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC000775371483 1051151215 /nfs/dbraw/zinc/15/12/15/1051151215.db2.gz PWDHIEXKXLQJMS-CYBMUJFWSA-N 1 0 340.448 4.375 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccc(Br)cc2)c1 ZINC000071407568 1051158235 /nfs/dbraw/zinc/15/82/35/1051158235.db2.gz KUTQSXBUQZWEHS-CYBMUJFWSA-N 1 0 334.257 4.184 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1OC(F)F ZINC000183554510 1051166445 /nfs/dbraw/zinc/16/64/45/1051166445.db2.gz SRGPTRMYAOLIOK-GFCCVEGCSA-N 1 0 337.366 4.243 20 10 EICDRO COC(=O)c1c(C[N@H+](CC2CCC2)C(C)C)c2cc(F)ccc2n1C ZINC001181284474 1051196370 /nfs/dbraw/zinc/19/63/70/1051196370.db2.gz AWHVUZVMWOSXHH-UHFFFAOYSA-N 1 0 346.446 4.115 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)c1 ZINC000183643527 1051202774 /nfs/dbraw/zinc/20/27/74/1051202774.db2.gz IBYLBAHDABYFMW-QMMMGPOBSA-N 1 0 346.374 4.035 20 10 EICDRO COc1cc(C)cc(CNc2ccc(C[NH+](C)C)c(Cl)c2)c1O ZINC001181337911 1051203735 /nfs/dbraw/zinc/20/37/35/1051203735.db2.gz VDDSAWFTROUVHS-UHFFFAOYSA-N 1 0 334.847 4.036 20 10 EICDRO CCN(C)c1ccc(C[N@H+](CCOC)[C@@H](C)c2ccccc2)cc1 ZINC001190635860 1051240447 /nfs/dbraw/zinc/24/04/47/1051240447.db2.gz SDIZSEPVMIAROC-SFHVURJKSA-N 1 0 326.484 4.352 20 10 EICDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1O ZINC000775411717 1051277110 /nfs/dbraw/zinc/27/71/10/1051277110.db2.gz HVNWHOOQPASVJC-HNNXBMFYSA-N 1 0 332.831 4.033 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827222 1051286559 /nfs/dbraw/zinc/28/65/59/1051286559.db2.gz NCNFCIXUXJNXJD-NRFANRHFSA-N 1 0 343.559 4.149 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894671 1051301008 /nfs/dbraw/zinc/30/10/08/1051301008.db2.gz GYDZSCCGCSZBLW-IBGZPJMESA-N 1 0 345.483 4.213 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1O ZINC000775422898 1051308528 /nfs/dbraw/zinc/30/85/28/1051308528.db2.gz MEKOUKIAUZBHER-IBGZPJMESA-N 1 0 327.399 4.365 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)cc1Cl ZINC001182114568 1051393559 /nfs/dbraw/zinc/39/35/59/1051393559.db2.gz AEFATNAFTPIVOI-AWEZNQCLSA-N 1 0 348.849 4.204 20 10 EICDRO Cc1cccc(NC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC001191591406 1051483167 /nfs/dbraw/zinc/48/31/67/1051483167.db2.gz LDLLOZSKGVBQRI-UHFFFAOYSA-N 1 0 337.511 4.446 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(Cl)ccc1O ZINC000775483069 1051551783 /nfs/dbraw/zinc/55/17/83/1051551783.db2.gz JMWJJWKEIVYDOK-GJZGRUSLSA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000775484339 1051555920 /nfs/dbraw/zinc/55/59/20/1051555920.db2.gz BRZCWLOGGBKXJV-DOTOQJQBSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1O ZINC000775488870 1051569498 /nfs/dbraw/zinc/56/94/98/1051569498.db2.gz VVVWHUHNFXIZEV-HOTGVXAUSA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1cc(Cl)ccc1O ZINC000775490282 1051571630 /nfs/dbraw/zinc/57/16/30/1051571630.db2.gz BAXUGOSLZLRWPN-MRXNPFEDSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1O ZINC000775491158 1051573639 /nfs/dbraw/zinc/57/36/39/1051573639.db2.gz AYWALZYIYVCDMH-KRWDZBQOSA-N 1 0 345.874 4.282 20 10 EICDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490223 1051583631 /nfs/dbraw/zinc/58/36/31/1051583631.db2.gz AIRBYUJCEYQYKC-IUODEOHRSA-N 1 0 345.314 4.472 20 10 EICDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000775494313 1051599040 /nfs/dbraw/zinc/59/90/40/1051599040.db2.gz ZUULGTIYLXNKAU-AWEZNQCLSA-N 1 0 346.462 4.451 20 10 EICDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484019 1051610493 /nfs/dbraw/zinc/61/04/93/1051610493.db2.gz RRVGLIVHBSCESX-SJORKVTESA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774486708 1051614662 /nfs/dbraw/zinc/61/46/62/1051614662.db2.gz XFKAZPVOBFKAKN-HNNXBMFYSA-N 1 0 336.435 4.018 20 10 EICDRO CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC1(C)C ZINC001182509895 1051624046 /nfs/dbraw/zinc/62/40/46/1051624046.db2.gz YWDLXKURAVGFOP-VDGAXYAQSA-N 1 0 330.516 4.326 20 10 EICDRO CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC1(C)C ZINC001182509893 1051624908 /nfs/dbraw/zinc/62/49/08/1051624908.db2.gz YWDLXKURAVGFOP-UXPWSPDFSA-N 1 0 330.516 4.326 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC001182545980 1051636466 /nfs/dbraw/zinc/63/64/66/1051636466.db2.gz YRYRYKMMBRZYDA-GOSISDBHSA-N 1 0 342.508 4.094 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000775507043 1051645996 /nfs/dbraw/zinc/64/59/96/1051645996.db2.gz GOMCJRQJNLFHGC-DOTOQJQBSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1O ZINC000775514109 1051662338 /nfs/dbraw/zinc/66/23/38/1051662338.db2.gz WESCPAGUUGXYSF-MSOLQXFVSA-N 1 0 332.875 4.389 20 10 EICDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775525166 1051706982 /nfs/dbraw/zinc/70/69/82/1051706982.db2.gz IYSWSWFRIQUDJI-FUHWJXTLSA-N 1 0 337.822 4.133 20 10 EICDRO CC[C@H]([NH2+]CCSCC(F)(F)F)c1cc(Cl)ccc1O ZINC000775526262 1051711584 /nfs/dbraw/zinc/71/15/84/1051711584.db2.gz PTFVYABSANKUJK-NSHDSACASA-N 1 0 327.799 4.382 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000775526872 1051713509 /nfs/dbraw/zinc/71/35/09/1051713509.db2.gz MQASVCCMXXJDGJ-ZHRRBRCNSA-N 1 0 337.872 4.024 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1cc(Cl)ccc1O ZINC000775526847 1051713995 /nfs/dbraw/zinc/71/39/95/1051713995.db2.gz MBRPBSHZOAVYES-ZIAGYGMSSA-N 1 0 325.861 4.190 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(Cl)ccc1O ZINC000775526868 1051714366 /nfs/dbraw/zinc/71/43/66/1051714366.db2.gz MQASVCCMXXJDGJ-AOMKIAJQSA-N 1 0 337.872 4.024 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCc3cccc(C)c3)C2)cc1 ZINC001182854029 1051724230 /nfs/dbraw/zinc/72/42/30/1051724230.db2.gz FFKHUNBOFQNKNV-ICSRJNTNSA-N 1 0 338.495 4.193 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(F)(F)F)nc2Cl)c1 ZINC001182959177 1051749308 /nfs/dbraw/zinc/74/93/08/1051749308.db2.gz HWFPVYRIENCSJO-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(-c3ccccc3F)s2)c1 ZINC001182961250 1051749077 /nfs/dbraw/zinc/74/90/77/1051749077.db2.gz XVQXRUPNRXWIPK-UHFFFAOYSA-N 1 0 328.412 4.253 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1O ZINC000775531602 1051751198 /nfs/dbraw/zinc/75/11/98/1051751198.db2.gz IKBFGFMPKASVAZ-QAPCUYQASA-N 1 0 330.859 4.365 20 10 EICDRO Cc1cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c(O)cc1Br ZINC001250120300 1051876273 /nfs/dbraw/zinc/87/62/73/1051876273.db2.gz AWHNQFKGENWYLF-LLVKDONJSA-N 1 0 348.231 4.330 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798522 1051901769 /nfs/dbraw/zinc/90/17/69/1051901769.db2.gz FPCNPAUOPDCJRG-QGZUEGPWSA-N 1 0 342.380 4.132 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1F ZINC001203168159 1051960158 /nfs/dbraw/zinc/96/01/58/1051960158.db2.gz FVHPOYZWSUBGME-HXUWFJFHSA-N 1 0 336.495 4.093 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]Cc1cc(F)ccc1Br)CC2 ZINC000296179829 1052084993 /nfs/dbraw/zinc/08/49/93/1052084993.db2.gz XZPZHJDWJCXYPM-CQSZACIVSA-N 1 0 336.204 4.071 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC001176532857 1052114813 /nfs/dbraw/zinc/11/48/13/1052114813.db2.gz NPBBFYMPWUTBNM-FGSXEWAUSA-N 1 0 338.495 4.493 20 10 EICDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000774820659 1052171241 /nfs/dbraw/zinc/17/12/41/1052171241.db2.gz DPMRZGMLPDZNFC-UHFFFAOYSA-N 1 0 344.886 4.117 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c(O)c1 ZINC000184910431 1052294452 /nfs/dbraw/zinc/29/44/52/1052294452.db2.gz UZBHCSSCOXYZSS-GFCCVEGCSA-N 1 0 325.330 4.450 20 10 EICDRO COCc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000184942131 1052320919 /nfs/dbraw/zinc/32/09/19/1052320919.db2.gz ORAQJUILEXYGIK-OAHLLOKOSA-N 1 0 325.452 4.268 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000185004478 1052359455 /nfs/dbraw/zinc/35/94/55/1052359455.db2.gz QGFHIBXRKZBYGV-BDJLRTHQSA-N 1 0 333.428 4.428 20 10 EICDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000185020953 1052371458 /nfs/dbraw/zinc/37/14/58/1052371458.db2.gz HPCBAJKXBYKXDE-AWEZNQCLSA-N 1 0 334.419 4.355 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185045509 1052378733 /nfs/dbraw/zinc/37/87/33/1052378733.db2.gz VYZLLOYFKIUKJT-OAHLLOKOSA-N 1 0 326.440 4.290 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000185093607 1052408470 /nfs/dbraw/zinc/40/84/70/1052408470.db2.gz MXCGSTUNWRPGKU-LLVKDONJSA-N 1 0 343.320 4.323 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc4ccccc4c3O)cn21 ZINC000185412507 1052597894 /nfs/dbraw/zinc/59/78/94/1052597894.db2.gz MHLGGBHVYJJTNK-HNNXBMFYSA-N 1 0 331.419 4.352 20 10 EICDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc2ccccc2c1O ZINC000185443507 1052605867 /nfs/dbraw/zinc/60/58/67/1052605867.db2.gz WRCHZOWVGVFCCM-OAHLLOKOSA-N 1 0 334.419 4.225 20 10 EICDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185469873 1052610884 /nfs/dbraw/zinc/61/08/84/1052610884.db2.gz LWFQRFOSBXSWAG-HZPDHXFCSA-N 1 0 342.458 4.408 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000186034872 1052856780 /nfs/dbraw/zinc/85/67/80/1052856780.db2.gz AMLICBRBGIUYIO-QRWLVFNGSA-N 1 0 325.452 4.309 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1O ZINC000325250800 1053036364 /nfs/dbraw/zinc/03/63/64/1053036364.db2.gz VDOUIIOBFPJZEF-KXBFYZLASA-N 1 0 328.431 4.019 20 10 EICDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000850076999 1053068491 /nfs/dbraw/zinc/06/84/91/1053068491.db2.gz HGUIZWQCDGQZNW-KRWDZBQOSA-N 1 0 349.478 4.164 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850134892 1053075564 /nfs/dbraw/zinc/07/55/64/1053075564.db2.gz JKTGTKWTQODJEF-AWEZNQCLSA-N 1 0 345.487 4.327 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3ccccc3c(Cl)n2)c1 ZINC000794563048 1053080681 /nfs/dbraw/zinc/08/06/81/1053080681.db2.gz SSLGIWPDVDRQGP-LBPRGKRZSA-N 1 0 342.826 4.453 20 10 EICDRO COc1cc(C[NH2+]CCc2ccc(Cl)nc2)c(O)c(C(C)(C)C)c1 ZINC000850188124 1053084662 /nfs/dbraw/zinc/08/46/62/1053084662.db2.gz RRZWGGOEOKONKR-UHFFFAOYSA-N 1 0 348.874 4.079 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)cc1 ZINC000850347185 1053123419 /nfs/dbraw/zinc/12/34/19/1053123419.db2.gz PIDCXVBLGKERNQ-MRXNPFEDSA-N 1 0 332.394 4.001 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1F ZINC000850387306 1053158524 /nfs/dbraw/zinc/15/85/24/1053158524.db2.gz QTYBLRQMCTZAGZ-LJQANCHMSA-N 1 0 328.431 4.155 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000764528859 1053175444 /nfs/dbraw/zinc/17/54/44/1053175444.db2.gz VWKYBOZWQOJOCQ-XLIONFOSSA-N 1 0 341.499 4.223 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850422977 1053192816 /nfs/dbraw/zinc/19/28/16/1053192816.db2.gz JSEDMYCMFMFRRT-QGZVFWFLSA-N 1 0 336.479 4.463 20 10 EICDRO C[C@]1(O)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000794665099 1053238046 /nfs/dbraw/zinc/23/80/46/1053238046.db2.gz FMEHSTFNCVPJEI-FQEVSTJZSA-N 1 0 325.408 4.029 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000764629571 1053240125 /nfs/dbraw/zinc/24/01/25/1053240125.db2.gz VLFCABAIOCAJDP-CQSZACIVSA-N 1 0 334.410 4.247 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000764637416 1053242298 /nfs/dbraw/zinc/24/22/98/1053242298.db2.gz DMDAHDZHIWYHKJ-QGZVFWFLSA-N 1 0 336.483 4.233 20 10 EICDRO CCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000764637529 1053242398 /nfs/dbraw/zinc/24/23/98/1053242398.db2.gz FPRDATWMVIHPIJ-QGZVFWFLSA-N 1 0 347.522 4.341 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)cc1 ZINC000850489560 1053257589 /nfs/dbraw/zinc/25/75/89/1053257589.db2.gz VGCYXDAPSBGMRR-FUHWJXTLSA-N 1 0 347.462 4.173 20 10 EICDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484170 1053258019 /nfs/dbraw/zinc/25/80/19/1053258019.db2.gz DJEVWMLIHVIMKF-RHSMWYFYSA-N 1 0 342.870 4.149 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCn2c(C)nc3ccccc32)cc1 ZINC000764667958 1053259204 /nfs/dbraw/zinc/25/92/04/1053259204.db2.gz TUJMBCCFDDYNOZ-MRXNPFEDSA-N 1 0 336.483 4.152 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3CCC(F)(F)CC3)C2)cc1 ZINC000850489642 1053260250 /nfs/dbraw/zinc/26/02/50/1053260250.db2.gz WEENJTQZSSDBBI-ZBFHGGJFSA-N 1 0 338.442 4.078 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1O ZINC000850502643 1053263402 /nfs/dbraw/zinc/26/34/02/1053263402.db2.gz YOLFEVGZOLKCGT-CQSZACIVSA-N 1 0 345.874 4.200 20 10 EICDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1O ZINC000850504806 1053265078 /nfs/dbraw/zinc/26/50/78/1053265078.db2.gz FQDDRJJHSXFVAR-BMIGLBTASA-N 1 0 335.341 4.072 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccccc2O)C2CCCCC2)c1 ZINC000775636993 1053269346 /nfs/dbraw/zinc/26/93/46/1053269346.db2.gz KJELUBYQNRODGR-UHFFFAOYSA-N 1 0 341.451 4.441 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cscn2)c1O ZINC000850511374 1053269436 /nfs/dbraw/zinc/26/94/36/1053269436.db2.gz DCCNUXXVHQHKCL-UWVGGRQHSA-N 1 0 341.274 4.331 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000764716729 1053278029 /nfs/dbraw/zinc/27/80/29/1053278029.db2.gz KBOXIYYSRMGKTN-QGZVFWFLSA-N 1 0 326.484 4.041 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000764716834 1053280260 /nfs/dbraw/zinc/28/02/60/1053280260.db2.gz LZLDCQBWNLTIEK-PZJWPPBQSA-N 1 0 326.484 4.041 20 10 EICDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)ccc1O ZINC000850526261 1053285102 /nfs/dbraw/zinc/28/51/02/1053285102.db2.gz OOGWWJDUFHJGPE-LLVKDONJSA-N 1 0 330.266 4.011 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000850537599 1053300481 /nfs/dbraw/zinc/30/04/81/1053300481.db2.gz WESCVOONCDFRFT-RNCFNFMXSA-N 1 0 334.204 4.159 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1O ZINC000850549663 1053305771 /nfs/dbraw/zinc/30/57/71/1053305771.db2.gz IRKIZMOLTUFVBX-LBPRGKRZSA-N 1 0 333.863 4.206 20 10 EICDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553936 1053310222 /nfs/dbraw/zinc/31/02/22/1053310222.db2.gz FIYRGNQUKLCFQC-DQLDELGASA-N 1 0 326.484 4.161 20 10 EICDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850555219 1053311281 /nfs/dbraw/zinc/31/12/81/1053311281.db2.gz NQPQGBRNFQLZRT-MJXNMMHHSA-N 1 0 333.859 4.454 20 10 EICDRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc2ccccc2c1O ZINC000850565460 1053319394 /nfs/dbraw/zinc/31/93/94/1053319394.db2.gz BXCBEQYYRSRTRY-ZDUSSCGKSA-N 1 0 335.394 4.136 20 10 EICDRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc2ccccc2c1O ZINC000850565458 1053319448 /nfs/dbraw/zinc/31/94/48/1053319448.db2.gz BXCBEQYYRSRTRY-CYBMUJFWSA-N 1 0 335.394 4.136 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)c1 ZINC000850565477 1053319773 /nfs/dbraw/zinc/31/97/73/1053319773.db2.gz FNMIOMOSHLIADR-GOSISDBHSA-N 1 0 338.495 4.115 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000850565881 1053319882 /nfs/dbraw/zinc/31/98/82/1053319882.db2.gz IXNOAQHLCWFKNZ-NRFANRHFSA-N 1 0 342.458 4.028 20 10 EICDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850566561 1053320352 /nfs/dbraw/zinc/32/03/52/1053320352.db2.gz PPJIPXASIPIPSH-GOSISDBHSA-N 1 0 338.495 4.115 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1O ZINC000850569313 1053321287 /nfs/dbraw/zinc/32/12/87/1053321287.db2.gz ACEPEGFOIGKFOW-AWEZNQCLSA-N 1 0 325.330 4.374 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000850570632 1053325349 /nfs/dbraw/zinc/32/53/49/1053325349.db2.gz YGPKKMTXJZAJNU-GFCCVEGCSA-N 1 0 338.373 4.344 20 10 EICDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000794797721 1053381706 /nfs/dbraw/zinc/38/17/06/1053381706.db2.gz QGGLVZHFELFSOW-LJQANCHMSA-N 1 0 346.515 4.169 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C)cc1O ZINC000794802397 1053385461 /nfs/dbraw/zinc/38/54/61/1053385461.db2.gz FCJCSNHAUOIYGV-QZTJIDSGSA-N 1 0 330.472 4.417 20 10 EICDRO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794793273 1053387403 /nfs/dbraw/zinc/38/74/03/1053387403.db2.gz NMFOPEVGIXYADL-ICSRJNTNSA-N 1 0 335.451 4.264 20 10 EICDRO CC[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794804940 1053392996 /nfs/dbraw/zinc/39/29/96/1053392996.db2.gz WJMXPLMASRTDNZ-IAGOWNOFSA-N 1 0 348.487 4.045 20 10 EICDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967896 1053402730 /nfs/dbraw/zinc/40/27/30/1053402730.db2.gz YXCRQTJVCARWFX-BWAGFHJFSA-N 1 0 341.543 4.344 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794807819 1053416320 /nfs/dbraw/zinc/41/63/20/1053416320.db2.gz LVSPPRYKRQFTAM-MAUKXSAKSA-N 1 0 343.467 4.390 20 10 EICDRO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797467 1053422720 /nfs/dbraw/zinc/42/27/20/1053422720.db2.gz WPTISCXKDPXLLC-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794814643 1053424237 /nfs/dbraw/zinc/42/42/37/1053424237.db2.gz HGDVVMLMJCXZMV-SJORKVTESA-N 1 0 348.487 4.045 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000794824634 1053429435 /nfs/dbraw/zinc/42/94/35/1053429435.db2.gz KTCNGOOSMJLYJW-PKOBYXMFSA-N 1 0 327.468 4.389 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000794826397 1053429453 /nfs/dbraw/zinc/42/94/53/1053429453.db2.gz RPGKHVFJSDXWDK-FUHWJXTLSA-N 1 0 343.467 4.089 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000775662340 1053429701 /nfs/dbraw/zinc/42/97/01/1053429701.db2.gz WCDUKDYGTSNVHF-UHFFFAOYSA-N 1 0 341.451 4.061 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817643 1053431904 /nfs/dbraw/zinc/43/19/04/1053431904.db2.gz UNVMKLBZSKFTIT-DYXWJJEUSA-N 1 0 343.442 4.047 20 10 EICDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000765080620 1053437755 /nfs/dbraw/zinc/43/77/55/1053437755.db2.gz RBDQCSZLVDFPLE-UONOGXRCSA-N 1 0 344.421 4.066 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC001195787716 1053485803 /nfs/dbraw/zinc/48/58/03/1053485803.db2.gz CHVPDARHBQHUIW-HXUWFJFHSA-N 1 0 344.886 4.404 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1F ZINC000765285636 1053492915 /nfs/dbraw/zinc/49/29/15/1053492915.db2.gz MAECZIJDUZVAOE-KRWDZBQOSA-N 1 0 346.421 4.423 20 10 EICDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000765288180 1053494686 /nfs/dbraw/zinc/49/46/86/1053494686.db2.gz VSBSBJYCOLLTHP-ICSRJNTNSA-N 1 0 348.506 4.091 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000765332513 1053507599 /nfs/dbraw/zinc/50/75/99/1053507599.db2.gz QLBIXTZCJSRULF-INIZCTEOSA-N 1 0 327.472 4.177 20 10 EICDRO CCCCOc1ncccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765334471 1053507684 /nfs/dbraw/zinc/50/76/84/1053507684.db2.gz YSUURMSAWFBNQV-MRXNPFEDSA-N 1 0 327.472 4.177 20 10 EICDRO Cc1cc(Cl)cc(CN(Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000775675804 1053534939 /nfs/dbraw/zinc/53/49/39/1053534939.db2.gz DICDUTHUGJDDQJ-UHFFFAOYSA-N 1 0 341.842 4.280 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000765442765 1053552929 /nfs/dbraw/zinc/55/29/29/1053552929.db2.gz VAKFNYDCQDBWET-LPHOPBHVSA-N 1 0 329.488 4.079 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cccn2)cc1 ZINC000765479697 1053563008 /nfs/dbraw/zinc/56/30/08/1053563008.db2.gz JBXNOYIIDBCQKV-QGZVFWFLSA-N 1 0 346.478 4.106 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1O ZINC000865650588 1053566578 /nfs/dbraw/zinc/56/65/78/1053566578.db2.gz MJIOESWYAFNURK-APWZRJJASA-N 1 0 347.842 4.064 20 10 EICDRO COc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000120720816 1053590160 /nfs/dbraw/zinc/59/01/60/1053590160.db2.gz BYAPAFQBQOKJIR-AZUAARDMSA-N 1 0 325.452 4.261 20 10 EICDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C3CCC(F)CC3)cc2)CC1 ZINC000852651621 1053599937 /nfs/dbraw/zinc/59/99/37/1053599937.db2.gz PJTZZZOEFXAXOM-IPJUCJBFSA-N 1 0 348.506 4.308 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cc1OC ZINC000775704348 1053618010 /nfs/dbraw/zinc/61/80/10/1053618010.db2.gz BEZOSABCULWCMX-ZDUSSCGKSA-N 1 0 349.858 4.126 20 10 EICDRO COc1ccccc1C1([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902104 1053627688 /nfs/dbraw/zinc/62/76/88/1053627688.db2.gz LVWLHBMUAWQVIB-WFASDCNBSA-N 1 0 327.399 4.367 20 10 EICDRO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(Cl)cc1O ZINC000853242479 1053657346 /nfs/dbraw/zinc/65/73/46/1053657346.db2.gz YYGDHLJWNRKWLN-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775713827 1053659953 /nfs/dbraw/zinc/65/99/53/1053659953.db2.gz JPGCNEQPTFUWRK-LLVKDONJSA-N 1 0 332.307 4.037 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000111232754 1053664521 /nfs/dbraw/zinc/66/45/21/1053664521.db2.gz XAUTYPNXBFCEAC-UHFFFAOYSA-N 1 0 335.403 4.123 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1sccc1Br ZINC000083552470 1053682143 /nfs/dbraw/zinc/68/21/43/1053682143.db2.gz HGTASLJMHRSREE-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000866407853 1053717506 /nfs/dbraw/zinc/71/75/06/1053717506.db2.gz YELRUZJLLDSKDS-MLGOLLRUSA-N 1 0 339.357 4.104 20 10 EICDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1O ZINC000866409635 1053719480 /nfs/dbraw/zinc/71/94/80/1053719480.db2.gz PIERJMVODPBNGM-MGPLVRAMSA-N 1 0 341.785 4.098 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(Cl)ccc1O ZINC000866421886 1053726418 /nfs/dbraw/zinc/72/64/18/1053726418.db2.gz DEBGRTYKNXYWDO-CYBMUJFWSA-N 1 0 347.842 4.116 20 10 EICDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000121060579 1053731211 /nfs/dbraw/zinc/73/12/11/1053731211.db2.gz YBCUNDTUEWFTJE-QEEYODRMSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1OC(F)(F)F ZINC000765607888 1053802945 /nfs/dbraw/zinc/80/29/45/1053802945.db2.gz FHAKLBYONIPWBA-LBPRGKRZSA-N 1 0 337.341 4.371 20 10 EICDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000765609974 1053804871 /nfs/dbraw/zinc/80/48/71/1053804871.db2.gz SHLZYIXZDZYWSS-CYBMUJFWSA-N 1 0 333.378 4.382 20 10 EICDRO CCCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765643569 1053830805 /nfs/dbraw/zinc/83/08/05/1053830805.db2.gz HIZIIBCDYLGBER-CQSZACIVSA-N 1 0 326.431 4.425 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(C)cc(C)nc2OC)cc1 ZINC000765667314 1053834797 /nfs/dbraw/zinc/83/47/97/1053834797.db2.gz XFJOOGMMTXBISX-INIZCTEOSA-N 1 0 327.472 4.014 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N(C)C)cc1 ZINC000121831970 1053850648 /nfs/dbraw/zinc/85/06/48/1053850648.db2.gz HIBBKXNGULUDJA-SJORKVTESA-N 1 0 334.467 4.350 20 10 EICDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001197238961 1053859224 /nfs/dbraw/zinc/85/92/24/1053859224.db2.gz KWTFOOTZBAWMGW-NRFANRHFSA-N 1 0 328.500 4.068 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868089978 1053872804 /nfs/dbraw/zinc/87/28/04/1053872804.db2.gz ARSPRZSVJKFYGJ-MOPGFXCFSA-N 1 0 349.438 4.460 20 10 EICDRO COc1cc2c(cc1F)C[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000776779625 1053873476 /nfs/dbraw/zinc/87/34/76/1053873476.db2.gz GSXNXPRWKZNORO-UHFFFAOYSA-N 1 0 337.394 4.251 20 10 EICDRO CCOc1cccc(CNc2cccc(C[NH+](CC)CC)c2)c1O ZINC000122287230 1053933538 /nfs/dbraw/zinc/93/35/38/1053933538.db2.gz IFZFRVMTYQCVNA-UHFFFAOYSA-N 1 0 328.456 4.245 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)ccc2O)c2ccccc2)cc1 ZINC000775778498 1053940792 /nfs/dbraw/zinc/94/07/92/1053940792.db2.gz TZIOQPTVCZXMTG-QFIPXVFZSA-N 1 0 349.430 4.289 20 10 EICDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc2ccccc2c1O ZINC000186165762 1054064579 /nfs/dbraw/zinc/06/45/79/1054064579.db2.gz VDRDBANWQXVJMQ-QRQCRPRQSA-N 1 0 333.431 4.030 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000114505726 1054095953 /nfs/dbraw/zinc/09/59/53/1054095953.db2.gz KFUMSYKCHVYCQS-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775830247 1054101209 /nfs/dbraw/zinc/10/12/09/1054101209.db2.gz FZMYAMVSDRMVBY-INIZCTEOSA-N 1 0 340.467 4.169 20 10 EICDRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835605 1054114676 /nfs/dbraw/zinc/11/46/76/1054114676.db2.gz VJYWBOAMMUWBKW-CQSZACIVSA-N 1 0 345.874 4.004 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1O ZINC000857082449 1054174070 /nfs/dbraw/zinc/17/40/70/1054174070.db2.gz VOGSFTVMRKALOM-UWVGGRQHSA-N 1 0 334.204 4.159 20 10 EICDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000776952392 1054337485 /nfs/dbraw/zinc/33/74/85/1054337485.db2.gz INBLKCWIAOTCTC-PZJWPPBQSA-N 1 0 330.516 4.360 20 10 EICDRO CCC(CC)[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001199144940 1054351547 /nfs/dbraw/zinc/35/15/47/1054351547.db2.gz ZQLSKGYJFKZGAC-DGSRBQDKSA-N 1 0 343.559 4.256 20 10 EICDRO CC(C)[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)Nc1ccccc1 ZINC001199117760 1054353728 /nfs/dbraw/zinc/35/37/28/1054353728.db2.gz FUGYEMMLKHVEBV-HYGBKTPJSA-N 1 0 337.511 4.492 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC001199179271 1054359604 /nfs/dbraw/zinc/35/96/04/1054359604.db2.gz WULVLUAXOSESGS-UHFFFAOYSA-N 1 0 344.462 4.021 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1O ZINC000775961688 1054404651 /nfs/dbraw/zinc/40/46/51/1054404651.db2.gz QYXPQICNEJIUIM-UHFFFAOYSA-N 1 0 327.355 4.090 20 10 EICDRO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872132125 1054407357 /nfs/dbraw/zinc/40/73/57/1054407357.db2.gz BZZAUGPGUIMIOO-GDBMZVCRSA-N 1 0 342.462 4.326 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCSc3ccccc32)cc1F ZINC000858088153 1054412845 /nfs/dbraw/zinc/41/28/45/1054412845.db2.gz RXUARIWJGPBBQB-MRXNPFEDSA-N 1 0 334.435 4.358 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000858128720 1054420010 /nfs/dbraw/zinc/42/00/10/1054420010.db2.gz ZPRIPADCJKCQCA-OAHLLOKOSA-N 1 0 336.204 4.071 20 10 EICDRO CCC[N@H+](Cc1ccc(OCC)cc1O)[C@@H]1CCCc2cccnc21 ZINC000775995559 1054435653 /nfs/dbraw/zinc/43/56/53/1054435653.db2.gz NQQCOFGJBAEURD-LJQANCHMSA-N 1 0 340.467 4.476 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OCC(C)C ZINC000858238115 1054442736 /nfs/dbraw/zinc/44/27/36/1054442736.db2.gz VASYUZRKLAZFDO-UHFFFAOYSA-N 1 0 329.440 4.034 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776013844 1054443239 /nfs/dbraw/zinc/44/32/39/1054443239.db2.gz JEIYHHNXNUPCRC-LJQANCHMSA-N 1 0 329.827 4.067 20 10 EICDRO Cc1nccn1CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776010181 1054444062 /nfs/dbraw/zinc/44/40/62/1054444062.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 1 0 335.451 4.161 20 10 EICDRO CSCCCCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000776009819 1054444346 /nfs/dbraw/zinc/44/43/46/1054444346.db2.gz OBMQDUVHJKLLEY-UHFFFAOYSA-N 1 0 332.307 4.086 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490687 1054498670 /nfs/dbraw/zinc/49/86/70/1054498670.db2.gz LVGFHFKAJHLFLV-NWDGAFQWSA-N 1 0 331.287 4.082 20 10 EICDRO Cc1cc(CN[C@H](C)c2cc3n(n2)CCC3)c(C)n1-c1cccc(C)c1 ZINC000858541517 1054511728 /nfs/dbraw/zinc/51/17/28/1054511728.db2.gz AXGKTQCWOGAECK-QGZVFWFLSA-N 1 0 348.494 4.396 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)cc1 ZINC001203946592 1054512262 /nfs/dbraw/zinc/51/22/62/1054512262.db2.gz WWBCSNYOVMMNAN-UHFFFAOYSA-N 1 0 330.516 4.314 20 10 EICDRO C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(N2CCCCCC2)cc1 ZINC000858562734 1054517741 /nfs/dbraw/zinc/51/77/41/1054517741.db2.gz LYRHUKACKMFIMR-INIZCTEOSA-N 1 0 325.456 4.018 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1c(F)cccc1Cl ZINC000776117419 1054553803 /nfs/dbraw/zinc/55/38/03/1054553803.db2.gz PZXDNUFATGLMFP-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)cc1OC ZINC000124674059 1054591552 /nfs/dbraw/zinc/59/15/52/1054591552.db2.gz GLDFWLWBLVVTKE-QGZVFWFLSA-N 1 0 327.424 4.055 20 10 EICDRO COC(=O)CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000859219219 1054645263 /nfs/dbraw/zinc/64/52/63/1054645263.db2.gz SBHZMDKHBGHMHL-QGZVFWFLSA-N 1 0 341.451 4.299 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CCc3c2cccc3OC)ccc1OC ZINC001201132883 1054679101 /nfs/dbraw/zinc/67/91/01/1054679101.db2.gz AXNVKMFBVFCLOG-LJQANCHMSA-N 1 0 341.451 4.017 20 10 EICDRO C[NH+](C)Cc1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001201403520 1054776008 /nfs/dbraw/zinc/77/60/08/1054776008.db2.gz YFKSUZXQQYJOAO-UHFFFAOYSA-N 1 0 332.451 4.382 20 10 EICDRO Cc1csc([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000776163452 1054776693 /nfs/dbraw/zinc/77/66/93/1054776693.db2.gz RFXOXBYEXFGSLD-SNVBAGLBSA-N 1 0 341.274 4.079 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001201664652 1054879587 /nfs/dbraw/zinc/87/95/87/1054879587.db2.gz QGYWXVOXONMOTK-VFNWGFHPSA-N 1 0 340.442 4.492 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000186199878 1054889997 /nfs/dbraw/zinc/88/99/97/1054889997.db2.gz MKRIUGKSKPPENU-YHJVDBJQSA-N 1 0 346.421 4.075 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742646 1054892892 /nfs/dbraw/zinc/89/28/92/1054892892.db2.gz RUTKYMQSUUJPMQ-PEAOBZDDSA-N 1 0 340.442 4.408 20 10 EICDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000126032546 1054932498 /nfs/dbraw/zinc/93/24/98/1054932498.db2.gz KSBYVGNHPHGHGE-GFCCVEGCSA-N 1 0 325.364 4.060 20 10 EICDRO Cc1cccc(O)c1C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876630653 1054940336 /nfs/dbraw/zinc/94/03/36/1054940336.db2.gz HMKRPHHNNZSWRF-QWRGUYRKSA-N 1 0 341.295 4.263 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCCC1 ZINC001201938851 1054947017 /nfs/dbraw/zinc/94/70/17/1054947017.db2.gz KHEGBTCCRMHCNX-MRXNPFEDSA-N 1 0 334.479 4.111 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000876922166 1054983090 /nfs/dbraw/zinc/98/30/90/1054983090.db2.gz XUFQCJVHZNPWQK-UHFFFAOYSA-N 1 0 339.357 4.069 20 10 EICDRO Cc1ccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c(O)c1 ZINC000876962756 1054988702 /nfs/dbraw/zinc/98/87/02/1054988702.db2.gz VXIGZVQARCOCSV-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO COc1ccc(O)c(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000013990090 1055032449 /nfs/dbraw/zinc/03/24/49/1055032449.db2.gz AQDIAIUQFQJRAI-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000862274072 1055044851 /nfs/dbraw/zinc/04/48/51/1055044851.db2.gz DHTOHZZZCVLYDB-UHFFFAOYSA-N 1 0 327.472 4.350 20 10 EICDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C)c1O ZINC000776253964 1055057569 /nfs/dbraw/zinc/05/75/69/1055057569.db2.gz YJFXAHKWPZPQRE-SFHVURJKSA-N 1 0 334.847 4.086 20 10 EICDRO Cc1cccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1O ZINC000776251346 1055058188 /nfs/dbraw/zinc/05/81/88/1055058188.db2.gz BUBCTLZLWDYCIL-UHFFFAOYSA-N 1 0 332.856 4.296 20 10 EICDRO CCOc1cc(Cl)ccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000776253555 1055061292 /nfs/dbraw/zinc/06/12/92/1055061292.db2.gz SEDIZZRZZHBEOM-UHFFFAOYSA-N 1 0 326.223 4.388 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)CCc2cncc3ccccc32)c(O)c1 ZINC000877493233 1055063436 /nfs/dbraw/zinc/06/34/36/1055063436.db2.gz IQWHDNVGAARZAL-HNNXBMFYSA-N 1 0 336.435 4.060 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1O ZINC000776248540 1055069672 /nfs/dbraw/zinc/06/96/72/1055069672.db2.gz LHAPVUGLHQJZIF-GFCCVEGCSA-N 1 0 334.204 4.131 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)cc1OC ZINC000862506058 1055076020 /nfs/dbraw/zinc/07/60/20/1055076020.db2.gz JCEISBCWYVKZFB-QZTJIDSGSA-N 1 0 341.451 4.384 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1ccccn1 ZINC000776263477 1055096352 /nfs/dbraw/zinc/09/63/52/1055096352.db2.gz CYNVXFNIATZPKY-OAQYLSRUSA-N 1 0 332.447 4.293 20 10 EICDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)c1 ZINC000877669213 1055104173 /nfs/dbraw/zinc/10/41/73/1055104173.db2.gz YIUSFSRQIGHBJM-UHFFFAOYSA-N 1 0 346.814 4.220 20 10 EICDRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757420 1055114149 /nfs/dbraw/zinc/11/41/49/1055114149.db2.gz ZWBJWRVKFKCJEF-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000877756287 1055114292 /nfs/dbraw/zinc/11/42/92/1055114292.db2.gz FKJHXJWDQOQBMK-JKSUJKDBSA-N 1 0 326.440 4.077 20 10 EICDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360670 1055178546 /nfs/dbraw/zinc/17/85/46/1055178546.db2.gz ZSXFNIKVSWUMKY-CVEARBPZSA-N 1 0 328.456 4.145 20 10 EICDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000776295936 1055180164 /nfs/dbraw/zinc/18/01/64/1055180164.db2.gz VIPSNQMINQTMMG-OAHLLOKOSA-N 1 0 337.427 4.175 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000119421549 1055191296 /nfs/dbraw/zinc/19/12/96/1055191296.db2.gz RKKFIZOILVDDQW-HXUWFJFHSA-N 1 0 342.508 4.466 20 10 EICDRO C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)Cc1cc[nH]n1 ZINC001137130820 1055277369 /nfs/dbraw/zinc/27/73/69/1055277369.db2.gz KIPSSNYRYZVKRO-UHFFFAOYSA-N 1 0 343.474 4.462 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c(O)c1C ZINC000903404785 1055714024 /nfs/dbraw/zinc/71/40/24/1055714024.db2.gz LZFJPQNDXWJDFD-JKSUJKDBSA-N 1 0 327.472 4.417 20 10 EICDRO COc1ccc(-c2ccc(C[NH2+]Cc3c(O)cccc3OC)cc2)cc1 ZINC000742381417 1058584731 /nfs/dbraw/zinc/58/47/31/1058584731.db2.gz YXDUWLHCOIVBLO-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000742369417 1058594971 /nfs/dbraw/zinc/59/49/71/1058594971.db2.gz FYTMRWZCTXPNQT-ZBFHGGJFSA-N 1 0 338.442 4.425 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000742369399 1058597134 /nfs/dbraw/zinc/59/71/34/1058597134.db2.gz FGBDOEQCQUIEOH-FUHWJXTLSA-N 1 0 330.516 4.468 20 10 EICDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000742374219 1058598016 /nfs/dbraw/zinc/59/80/16/1058598016.db2.gz QVXLOHSQYLKLKO-WOJBJXKFSA-N 1 0 328.500 4.114 20 10 EICDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(Cl)cc1 ZINC000742377655 1058601411 /nfs/dbraw/zinc/60/14/11/1058601411.db2.gz PFSSARRKEFNKCY-MRXNPFEDSA-N 1 0 326.223 4.176 20 10 EICDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000742377716 1058602690 /nfs/dbraw/zinc/60/26/90/1058602690.db2.gz QMSGZUKVAUDWLC-SFHVURJKSA-N 1 0 336.838 4.022 20 10 EICDRO CC[N@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1O ZINC000743870803 1059188344 /nfs/dbraw/zinc/18/83/44/1059188344.db2.gz BOMQZXFSOXYUGB-UHFFFAOYSA-N 1 0 338.220 4.316 20 10 EICDRO C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304565 1059305176 /nfs/dbraw/zinc/30/51/76/1059305176.db2.gz NSQNNIVOYRIKOF-LAUBAEHRSA-N 1 0 348.494 4.121 20 10 EICDRO Cc1cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000744445040 1059505869 /nfs/dbraw/zinc/50/58/69/1059505869.db2.gz SISKXPILLOWNAO-WFASDCNBSA-N 1 0 345.405 4.150 20 10 EICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Oc2ccccc2)C1 ZINC000766320867 1059571493 /nfs/dbraw/zinc/57/14/93/1059571493.db2.gz RXVJFPUXGJSJGR-UHFFFAOYSA-N 1 0 348.446 4.013 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@H]2SCCc3ccccc32)cc1F ZINC000749293675 1060264345 /nfs/dbraw/zinc/26/43/45/1060264345.db2.gz CASZRUBCQBOIBB-IBGZPJMESA-N 1 0 330.472 4.012 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000766561062 1060567158 /nfs/dbraw/zinc/56/71/58/1060567158.db2.gz QUKBOBANKHTWTF-GOSISDBHSA-N 1 0 348.494 4.043 20 10 EICDRO C[C@@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)c1ccccc1O ZINC001169280519 1060731449 /nfs/dbraw/zinc/73/14/49/1060731449.db2.gz QXGZXEUOKWPDCR-FAEJEUNOSA-N 1 0 339.435 4.211 20 10 EICDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691428184 1060948132 /nfs/dbraw/zinc/94/81/32/1060948132.db2.gz KNVNSDAVUANDEU-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1O ZINC000038018536 213190246 /nfs/dbraw/zinc/19/02/46/213190246.db2.gz WKUYMHFLSGJMIU-LBPRGKRZSA-N 1 0 326.259 4.457 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)c2cccs2)c1O ZINC000228674503 1032160120 /nfs/dbraw/zinc/16/01/20/1032160120.db2.gz JOSMLRRZFCAUCC-UHFFFAOYSA-N 1 0 325.861 4.183 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)c(O)c1 ZINC000360038640 1032232731 /nfs/dbraw/zinc/23/27/31/1032232731.db2.gz VFVWTYVMCAWTDY-UHFFFAOYSA-N 1 0 338.407 4.126 20 10 EICDRO Cc1cc(C[NH2+]Cc2scnc2C)c(C)n1-c1cccc(C)c1 ZINC000729685540 1032239898 /nfs/dbraw/zinc/23/98/98/1032239898.db2.gz GYMZZCAWAYBVRL-UHFFFAOYSA-N 1 0 325.481 4.457 20 10 EICDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1 ZINC000529642222 1032502443 /nfs/dbraw/zinc/50/24/43/1032502443.db2.gz RWZWJIIHUUBUBV-UHFFFAOYSA-N 1 0 328.437 4.035 20 10 EICDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841759545 1032550237 /nfs/dbraw/zinc/55/02/37/1032550237.db2.gz ZOFVOXLRSAVAED-YVEFUNNKSA-N 1 0 336.838 4.138 20 10 EICDRO Oc1cccc(Br)c1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001140102968 1020656493 /nfs/dbraw/zinc/65/64/93/1020656493.db2.gz BJPCSZFXQQKJAI-GFCCVEGCSA-N 1 0 342.252 4.259 20 10 EICDRO Oc1cc2c(cc1O)CN(Cc1ccc(Cl)cc1Cl)CCC2 ZINC001203393003 1020679924 /nfs/dbraw/zinc/67/99/24/1020679924.db2.gz RYSBTYLFNKYYGO-UHFFFAOYSA-N 1 0 338.234 4.353 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000310640997 1021351490 /nfs/dbraw/zinc/35/14/90/1021351490.db2.gz AOTRHAVBASYFOS-HNNXBMFYSA-N 1 0 348.487 4.141 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O ZINC000310651677 1021415138 /nfs/dbraw/zinc/41/51/38/1021415138.db2.gz VLJWTRISPUJYPV-UONOGXRCSA-N 1 0 344.455 4.109 20 10 EICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000728302825 1022310254 /nfs/dbraw/zinc/31/02/54/1022310254.db2.gz YLYHTSSFKHXKAW-NRFANRHFSA-N 1 0 330.516 4.362 20 10 EICDRO C[NH+]1CCN(c2ccc(CNc3cccc(C4CCC4)c3)cc2)CC1 ZINC001167436991 1022635584 /nfs/dbraw/zinc/63/55/84/1022635584.db2.gz KEDLWJCKPBBJPU-UHFFFAOYSA-N 1 0 335.495 4.318 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000181424363 1022653405 /nfs/dbraw/zinc/65/34/05/1022653405.db2.gz LBYXPFZYVLEZQB-UHFFFAOYSA-N 1 0 344.414 4.229 20 10 EICDRO Cc1ccn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000378351915 1022742425 /nfs/dbraw/zinc/74/24/25/1022742425.db2.gz USOXLFKYGOMZDB-UHFFFAOYSA-N 1 0 338.499 4.019 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c1O ZINC000363812859 1022800930 /nfs/dbraw/zinc/80/09/30/1022800930.db2.gz CCBOXJMVQZDNRR-UHFFFAOYSA-N 1 0 334.419 4.143 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccn2)C2CCCC2)c1 ZINC000363859994 1022862101 /nfs/dbraw/zinc/86/21/01/1022862101.db2.gz FZZOUGMOQYLMMV-XOBRGWDASA-N 1 0 326.440 4.378 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000156134876 1023011159 /nfs/dbraw/zinc/01/11/59/1023011159.db2.gz BEBRSCINOFLEGM-LLVKDONJSA-N 1 0 330.375 4.151 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000165437772 1023038326 /nfs/dbraw/zinc/03/83/26/1023038326.db2.gz FNPCJCOMKXLRCH-IFXJQAMLSA-N 1 0 340.471 4.045 20 10 EICDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892778163 1023393313 /nfs/dbraw/zinc/39/33/13/1023393313.db2.gz CFZBRXMWTSOVRT-MRXNPFEDSA-N 1 0 345.439 4.049 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162526611 1023458979 /nfs/dbraw/zinc/45/89/79/1023458979.db2.gz YQMCAKXONMTPKC-UHFFFAOYSA-N 1 0 326.337 4.200 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942363 1023481933 /nfs/dbraw/zinc/48/19/33/1023481933.db2.gz WOHGNINCJZPJFJ-UNMCSNQZSA-N 1 0 338.495 4.345 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)c1ccccc1O ZINC000156359924 1023625214 /nfs/dbraw/zinc/62/52/14/1023625214.db2.gz LUNUJOXQSDPKRM-IBGZPJMESA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)ccc1O ZINC000020123483 1023730407 /nfs/dbraw/zinc/73/04/07/1023730407.db2.gz WZWRBYDJOLONAP-FZMZJTMJSA-N 1 0 335.245 4.352 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1cc(Br)ccc1O ZINC000020127693 1023737933 /nfs/dbraw/zinc/73/79/33/1023737933.db2.gz WXKMKJBXRNXUFK-IAQYHMDHSA-N 1 0 335.245 4.352 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000178267568 1023880630 /nfs/dbraw/zinc/88/06/30/1023880630.db2.gz SFBREEVHWOEIQV-HNAYVOBHSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164582808 1024659995 /nfs/dbraw/zinc/65/99/95/1024659995.db2.gz IWTSTWLTVRRNNJ-SFHVURJKSA-N 1 0 340.515 4.313 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1O ZINC000093667857 1024715610 /nfs/dbraw/zinc/71/56/10/1024715610.db2.gz RYTKNVUWRYUGDH-SFHVURJKSA-N 1 0 339.435 4.028 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCNc2ccccn2)cc1 ZINC000162846051 1024951810 /nfs/dbraw/zinc/95/18/10/1024951810.db2.gz QRQCJMVNNZEYBF-QGZVFWFLSA-N 1 0 326.488 4.081 20 10 EICDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280773441 1025886982 /nfs/dbraw/zinc/88/69/82/1025886982.db2.gz FHOIMRHGOYKOEY-UHFFFAOYSA-N 1 0 343.418 4.135 20 10 EICDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000168802310 1026211894 /nfs/dbraw/zinc/21/18/94/1026211894.db2.gz GZFVZTSAWUFDLI-HNNXBMFYSA-N 1 0 328.456 4.011 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3cc(F)ccc3F)CC2)cc1 ZINC000108409824 1026263988 /nfs/dbraw/zinc/26/39/88/1026263988.db2.gz PHYIWGQFLJHUFQ-HNNXBMFYSA-N 1 0 346.421 4.247 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)c1O ZINC000049514840 1026725073 /nfs/dbraw/zinc/72/50/73/1026725073.db2.gz YBGKDEDFGSTHKT-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1ccc2[nH+]ccc(N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000302172881 1027244826 /nfs/dbraw/zinc/24/48/26/1027244826.db2.gz VMZJAJVGBVSMAN-UHFFFAOYSA-N 1 0 347.462 4.016 20 10 EICDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(OCC(F)(F)F)cc1 ZINC001167624800 1027455449 /nfs/dbraw/zinc/45/54/49/1027455449.db2.gz GKDCZPDGSWDEHH-UHFFFAOYSA-N 1 0 330.394 4.112 20 10 EICDRO CCC[N@H+](Cc1nc2c(cccc2F)n1CC)Cc1ccccc1O ZINC000728570084 1028854155 /nfs/dbraw/zinc/85/41/55/1028854155.db2.gz WGMZVEQUTVUNDJ-UHFFFAOYSA-N 1 0 341.430 4.313 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1 ZINC000157734785 1029207208 /nfs/dbraw/zinc/20/72/08/1029207208.db2.gz SNSUIQMJXZODRT-CYBMUJFWSA-N 1 0 336.382 4.201 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815241 1029429732 /nfs/dbraw/zinc/42/97/32/1029429732.db2.gz CNBBUTCHSPWFAT-DLBZAZTESA-N 1 0 326.488 4.212 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccn(C)n1 ZINC000840815243 1029430686 /nfs/dbraw/zinc/43/06/86/1029430686.db2.gz CNBBUTCHSPWFAT-IRXDYDNUSA-N 1 0 326.488 4.212 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000475206586 1029438081 /nfs/dbraw/zinc/43/80/81/1029438081.db2.gz VGSUYYKNZRQALY-UHFFFAOYSA-N 1 0 344.405 4.420 20 10 EICDRO CCc1cc(NCc2ccc(N3CCOCC3)cc2)c2ccccc2[nH+]1 ZINC000301767288 1029805161 /nfs/dbraw/zinc/80/51/61/1029805161.db2.gz BXFZWHBUEHQXMO-UHFFFAOYSA-N 1 0 347.462 4.246 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000184811943 1030094911 /nfs/dbraw/zinc/09/49/11/1030094911.db2.gz GJGGTWXUDHXPNQ-JOCHJYFZSA-N 1 0 331.415 4.177 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)ccc1O ZINC000185134165 1030116091 /nfs/dbraw/zinc/11/60/91/1030116091.db2.gz AAAJWXBIMZIVJV-GFCCVEGCSA-N 1 0 345.805 4.221 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1-n1cccn1 ZINC000185742776 1030222633 /nfs/dbraw/zinc/22/26/33/1030222633.db2.gz JFXRJWFKLFBXJZ-ZIAGYGMSSA-N 1 0 325.387 4.129 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213572 1030223372 /nfs/dbraw/zinc/22/33/72/1030223372.db2.gz ALUWRZMGUIEBHD-KBPBESRZSA-N 1 0 329.271 4.024 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213519 1030224442 /nfs/dbraw/zinc/22/44/42/1030224442.db2.gz ADDYXVCPOLDJOZ-QWHCGFSZSA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)c1 ZINC000186150306 1030251469 /nfs/dbraw/zinc/25/14/69/1030251469.db2.gz MFFNRFQQLSXYGX-OAHLLOKOSA-N 1 0 334.419 4.314 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000163377140 1030649309 /nfs/dbraw/zinc/64/93/09/1030649309.db2.gz XMCXZPNFKWGIOY-UEXGIBASSA-N 1 0 330.516 4.269 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)NC(=O)OC(C)(C)C ZINC000192688266 1030712924 /nfs/dbraw/zinc/71/29/24/1030712924.db2.gz RYAIMGXEWQMHPB-KBPBESRZSA-N 1 0 344.455 4.109 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527775012 1030853840 /nfs/dbraw/zinc/85/38/40/1030853840.db2.gz XQTOHOMEVPXWQU-KRWDZBQOSA-N 1 0 347.256 4.181 20 10 EICDRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000527926434 1030925687 /nfs/dbraw/zinc/92/56/87/1030925687.db2.gz KYFPNXUHQYHGBT-WFASDCNBSA-N 1 0 342.277 4.012 20 10 EICDRO CCC(CC)(C[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000310058390 1031007335 /nfs/dbraw/zinc/00/73/35/1031007335.db2.gz TXLHDPABBQAIHP-AWEZNQCLSA-N 1 0 336.476 4.126 20 10 EICDRO COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C2CC2)cn1 ZINC000528043648 1031058996 /nfs/dbraw/zinc/05/89/96/1031058996.db2.gz OZTVDKODSXACIJ-CVWILIBFSA-N 1 0 342.414 4.224 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C2CC2)cn1 ZINC000528044268 1031078901 /nfs/dbraw/zinc/07/89/01/1031078901.db2.gz SPCNSYUGBREBQI-AUUYWEPGSA-N 1 0 326.440 4.215 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC001168243462 1031426963 /nfs/dbraw/zinc/42/69/63/1031426963.db2.gz DZVUYNSMNUHCGL-ZIFCJYIRSA-N 1 0 325.452 4.380 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cncnc3)cc2)c1 ZINC000359872995 1031895622 /nfs/dbraw/zinc/89/56/22/1031895622.db2.gz PWWGQTJCFWYCJU-LSDHHAIUSA-N 1 0 349.434 4.270 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000310942359 1031945596 /nfs/dbraw/zinc/94/55/96/1031945596.db2.gz WOHGNINCJZPJFJ-IRLDBZIGSA-N 1 0 338.495 4.345 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1O ZINC000894159326 1034397963 /nfs/dbraw/zinc/39/79/63/1034397963.db2.gz CQIRYJOUKHVLBZ-HNNXBMFYSA-N 1 0 333.428 4.175 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1O ZINC000894176821 1034630351 /nfs/dbraw/zinc/63/03/51/1034630351.db2.gz OIIKTASSWRAGHB-UHFFFAOYSA-N 1 0 343.320 4.157 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000894178902 1034633373 /nfs/dbraw/zinc/63/33/73/1034633373.db2.gz KIKXRCYRWRZDRZ-LBPRGKRZSA-N 1 0 337.366 4.161 20 10 EICDRO CC[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C)cc1O ZINC000280256325 1035212997 /nfs/dbraw/zinc/21/29/97/1035212997.db2.gz WXLODJIPELIDBQ-HXUWFJFHSA-N 1 0 349.478 4.381 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(C)cc1O ZINC000280269185 1035217425 /nfs/dbraw/zinc/21/74/25/1035217425.db2.gz XTXZJQBEEZTYQU-KRWDZBQOSA-N 1 0 327.424 4.103 20 10 EICDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000913169538 1035538113 /nfs/dbraw/zinc/53/81/13/1035538113.db2.gz AFJSDYMDBVBZKO-UHFFFAOYSA-N 1 0 339.439 4.183 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227855907 1035912381 /nfs/dbraw/zinc/91/23/81/1035912381.db2.gz PQPYYIDEWURSTM-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000222105744 1035987527 /nfs/dbraw/zinc/98/75/27/1035987527.db2.gz ALWNCGJSLYUARS-GOSISDBHSA-N 1 0 345.284 4.292 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2OC)C2CC2)c1O ZINC000761191053 1035999269 /nfs/dbraw/zinc/99/92/69/1035999269.db2.gz JBZYALDZZPZXNY-UHFFFAOYSA-N 1 0 347.842 4.227 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000761195221 1036020063 /nfs/dbraw/zinc/02/00/63/1036020063.db2.gz JXQGXEAKYGRKBF-INIZCTEOSA-N 1 0 333.815 4.097 20 10 EICDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761207051 1036051100 /nfs/dbraw/zinc/05/11/00/1036051100.db2.gz XIUFBHNRKACHFN-KBPBESRZSA-N 1 0 329.893 4.160 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000761217455 1036171556 /nfs/dbraw/zinc/17/15/56/1036171556.db2.gz VMHIRYSYGIBKGJ-KOLCDFICSA-N 1 0 337.769 4.217 20 10 EICDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761228127 1036285354 /nfs/dbraw/zinc/28/53/54/1036285354.db2.gz HCMDZAYAFXNEFG-LLVKDONJSA-N 1 0 340.183 4.284 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000163574691 1036942100 /nfs/dbraw/zinc/94/21/00/1036942100.db2.gz FRNHBVPXVXBCKR-OAHLLOKOSA-N 1 0 330.472 4.230 20 10 EICDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273296583 1037400234 /nfs/dbraw/zinc/40/02/34/1037400234.db2.gz AIASTEHHOQLCKL-LSDHHAIUSA-N 1 0 326.440 4.379 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349419 1037426569 /nfs/dbraw/zinc/42/65/69/1037426569.db2.gz BIHZLTULDDPPIW-UGSOOPFHSA-N 1 0 335.394 4.326 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c(O)c1C ZINC000273380789 1037437599 /nfs/dbraw/zinc/43/75/99/1037437599.db2.gz IDAJFSSCNKJNIG-KRWDZBQOSA-N 1 0 335.451 4.105 20 10 EICDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163599926 1037454389 /nfs/dbraw/zinc/45/43/89/1037454389.db2.gz CMRFXQPMGXUCPU-KKSFZXQISA-N 1 0 338.520 4.263 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c(O)c1C ZINC000273415776 1037459425 /nfs/dbraw/zinc/45/94/25/1037459425.db2.gz QVMBDBQUGQBYJK-INIZCTEOSA-N 1 0 340.467 4.454 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000157362418 1037471690 /nfs/dbraw/zinc/47/16/90/1037471690.db2.gz PWHYZGUHYWLLIV-MSOLQXFVSA-N 1 0 338.495 4.446 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273468871 1037473399 /nfs/dbraw/zinc/47/33/99/1037473399.db2.gz RSDBZYLSRDJDQN-NQYLQCIDSA-N 1 0 329.415 4.411 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273488028 1037481825 /nfs/dbraw/zinc/48/18/25/1037481825.db2.gz MSTUQWBELLOQGP-RDTXWAMCSA-N 1 0 335.806 4.195 20 10 EICDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508961 1037491083 /nfs/dbraw/zinc/49/10/83/1037491083.db2.gz QLLPUEWSQUHFFS-HKUYNNGSSA-N 1 0 333.378 4.023 20 10 EICDRO Cn1ccc(CC[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000760631285 1037744665 /nfs/dbraw/zinc/74/46/65/1037744665.db2.gz CAXDTHVZEJMKIA-UHFFFAOYSA-N 1 0 343.515 4.053 20 10 EICDRO COCCCOC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000172913733 1038394331 /nfs/dbraw/zinc/39/43/31/1038394331.db2.gz WRAMMFOJVFUDAY-UHFFFAOYSA-N 1 0 349.515 4.016 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1C ZINC000174356270 1038931361 /nfs/dbraw/zinc/93/13/61/1038931361.db2.gz BTCJGUOGNKXJCK-UHFFFAOYSA-N 1 0 340.398 4.135 20 10 EICDRO Clc1ccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000111232196 1039281451 /nfs/dbraw/zinc/28/14/51/1039281451.db2.gz GNPNXNRUGMRZFP-UHFFFAOYSA-N 1 0 343.854 4.070 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000041069282 1040621340 /nfs/dbraw/zinc/62/13/40/1040621340.db2.gz BFYUIMJYBWJIGW-NSHDSACASA-N 1 0 338.220 4.453 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160724396 1040687403 /nfs/dbraw/zinc/68/74/03/1040687403.db2.gz GRGAHJUBEWVEPI-UTKZUKDTSA-N 1 0 326.484 4.307 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Br)cc1O ZINC000757659603 1041493100 /nfs/dbraw/zinc/49/31/00/1041493100.db2.gz XRMCQYIFDQETGI-JQWIXIFHSA-N 1 0 330.291 4.091 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c(O)c1 ZINC000293031965 1042199358 /nfs/dbraw/zinc/19/93/58/1042199358.db2.gz ACOZMFGEPASOBK-KRWDZBQOSA-N 1 0 339.483 4.163 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000152076741 1042626801 /nfs/dbraw/zinc/62/68/01/1042626801.db2.gz GVNJJLGZJOVTMT-MRXNPFEDSA-N 1 0 338.451 4.256 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)Cc2cc(Br)cs2)cc1C ZINC000048621229 1042720473 /nfs/dbraw/zinc/72/04/73/1042720473.db2.gz XLYUDSFBFVJNMJ-UHFFFAOYSA-N 1 0 340.286 4.465 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000760038480 1042866580 /nfs/dbraw/zinc/86/65/80/1042866580.db2.gz BJCDUVNYFXFYMN-KBXCAEBGSA-N 1 0 334.891 4.160 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1C ZINC000237220555 1042998514 /nfs/dbraw/zinc/99/85/14/1042998514.db2.gz PDNDXGHVNXRUFF-UHFFFAOYSA-N 1 0 341.451 4.249 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc2c(c1)OCCO2 ZINC000766029453 1043052038 /nfs/dbraw/zinc/05/20/38/1043052038.db2.gz KNZMXFAZHYXUHF-IBGZPJMESA-N 1 0 340.467 4.073 20 10 EICDRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000766030611 1043061098 /nfs/dbraw/zinc/06/10/98/1043061098.db2.gz UWDCBYOWAYHNTB-CQSZACIVSA-N 1 0 346.446 4.068 20 10 EICDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765954883 1043092023 /nfs/dbraw/zinc/09/20/23/1043092023.db2.gz QZXOSOLIRZCSBK-XMSQKQJNSA-N 1 0 338.495 4.370 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000727471070 1043229539 /nfs/dbraw/zinc/22/95/39/1043229539.db2.gz GWNINVKGPXZEGM-UHFFFAOYSA-N 1 0 342.402 4.252 20 10 EICDRO CN1CCCc2cc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)ccc21 ZINC000727644999 1043255477 /nfs/dbraw/zinc/25/54/77/1043255477.db2.gz UXPJBLPZBWYNEX-IBGZPJMESA-N 1 0 340.442 4.212 20 10 EICDRO Fc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CCO2)cc1 ZINC000921993252 1043280082 /nfs/dbraw/zinc/28/00/82/1043280082.db2.gz AHTJIYHRNBWSIS-FPOVZHCZSA-N 1 0 341.426 4.161 20 10 EICDRO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1O ZINC001143103528 1043378154 /nfs/dbraw/zinc/37/81/54/1043378154.db2.gz FHQUTTVSQKRUCH-ROUUACIJSA-N 1 0 335.447 4.102 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000729984964 1043426019 /nfs/dbraw/zinc/42/60/19/1043426019.db2.gz CKXHYQYOHWZPSG-GOSISDBHSA-N 1 0 332.447 4.395 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000729984965 1043426528 /nfs/dbraw/zinc/42/65/28/1043426528.db2.gz CKXHYQYOHWZPSG-SFHVURJKSA-N 1 0 332.447 4.395 20 10 EICDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(Br)cc1O ZINC001168465684 1043574925 /nfs/dbraw/zinc/57/49/25/1043574925.db2.gz VBFUQEMEHWSPTD-NSHDSACASA-N 1 0 338.220 4.015 20 10 EICDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000730818370 1043630605 /nfs/dbraw/zinc/63/06/05/1043630605.db2.gz QOUMWWVSWCCLLN-RTBURBONSA-N 1 0 329.532 4.029 20 10 EICDRO c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922140987 1043632419 /nfs/dbraw/zinc/63/24/19/1043632419.db2.gz YJHKGGQGGOWINO-QFIPXVFZSA-N 1 0 349.474 4.195 20 10 EICDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000766074192 1043878794 /nfs/dbraw/zinc/87/87/94/1043878794.db2.gz UCJLKPQJHUQBGK-ZIAGYGMSSA-N 1 0 336.526 4.416 20 10 EICDRO CC[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000732184031 1043881864 /nfs/dbraw/zinc/88/18/64/1043881864.db2.gz DLXOFCQFJJDIPX-KBPBESRZSA-N 1 0 329.440 4.017 20 10 EICDRO Cc1cccc2nc(C[N@H+](Cc3ccccc3O)C3CCCC3)cn21 ZINC000732204213 1043887421 /nfs/dbraw/zinc/88/74/21/1043887421.db2.gz FVYSQKAKTXTELW-UHFFFAOYSA-N 1 0 335.451 4.293 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000732486171 1043928381 /nfs/dbraw/zinc/92/83/81/1043928381.db2.gz YRVYXPOFCYMYNC-LJQANCHMSA-N 1 0 341.451 4.363 20 10 EICDRO Cc1ccc([C@H](C)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000766095125 1044064076 /nfs/dbraw/zinc/06/40/76/1044064076.db2.gz PVUAERXNOOGVFU-RTBURBONSA-N 1 0 338.495 4.286 20 10 EICDRO CCc1ccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)cc1 ZINC000733321672 1044183481 /nfs/dbraw/zinc/18/34/81/1044183481.db2.gz GTFSFQIZPLITTM-SFHVURJKSA-N 1 0 332.875 4.001 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000733325505 1044188872 /nfs/dbraw/zinc/18/88/72/1044188872.db2.gz PNHSPKXZNXBBEK-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000733324542 1044189531 /nfs/dbraw/zinc/18/95/31/1044189531.db2.gz JENBOHKIEGAGCN-UHFFFAOYSA-N 1 0 337.419 4.300 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733326105 1044190454 /nfs/dbraw/zinc/19/04/54/1044190454.db2.gz JJMGYYRPWXFAFN-OAHLLOKOSA-N 1 0 330.447 4.011 20 10 EICDRO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000733329933 1044195211 /nfs/dbraw/zinc/19/52/11/1044195211.db2.gz GTCYJYYPCQWZNL-HXUWFJFHSA-N 1 0 329.532 4.031 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000766114282 1044209617 /nfs/dbraw/zinc/20/96/17/1044209617.db2.gz CDFAMVQVIYYAMA-NSHDSACASA-N 1 0 331.378 4.170 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c(O)c1 ZINC000186520574 1044252154 /nfs/dbraw/zinc/25/21/54/1044252154.db2.gz ZUHNSDZJPUXCGY-KRWDZBQOSA-N 1 0 341.451 4.265 20 10 EICDRO CCOC[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000733787560 1044311113 /nfs/dbraw/zinc/31/11/13/1044311113.db2.gz LPSUGDWXSIJHDK-HNNXBMFYSA-N 1 0 343.467 4.266 20 10 EICDRO C[C@@H]([NH2+]CCOC1CCCCC1)c1ccc(Br)cc1O ZINC000756488357 1044323346 /nfs/dbraw/zinc/32/33/46/1044323346.db2.gz DGEWFLRSLDBOLV-GFCCVEGCSA-N 1 0 342.277 4.155 20 10 EICDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734845860 1044697628 /nfs/dbraw/zinc/69/76/28/1044697628.db2.gz JTEPRPKXWGJXJG-VGSWGCGISA-N 1 0 347.458 4.313 20 10 EICDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922560789 1044811886 /nfs/dbraw/zinc/81/18/86/1044811886.db2.gz OHLJFOVSXIZNCO-UHFFFAOYSA-N 1 0 338.495 4.076 20 10 EICDRO COc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922582133 1044826112 /nfs/dbraw/zinc/82/61/12/1044826112.db2.gz LVIPQXGIAPCWKL-IBGZPJMESA-N 1 0 340.467 4.334 20 10 EICDRO Cc1cc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)cc1C(C)C ZINC000738270060 1045046818 /nfs/dbraw/zinc/04/68/18/1045046818.db2.gz PAXLMWIGPTZXJF-UHFFFAOYSA-N 1 0 330.516 4.274 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412588 1045088748 /nfs/dbraw/zinc/08/87/48/1045088748.db2.gz LFEQJKYGJSHJSM-OXJNMPFZSA-N 1 0 338.499 4.139 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1F ZINC000740000417 1045173243 /nfs/dbraw/zinc/17/32/43/1045173243.db2.gz BZSBUDPCEHVPKB-GOSISDBHSA-N 1 0 349.519 4.126 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1F ZINC000740005419 1045173845 /nfs/dbraw/zinc/17/38/45/1045173845.db2.gz BTOQOOQOQLTASM-OAQYLSRUSA-N 1 0 342.458 4.076 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1F ZINC000740007558 1045174139 /nfs/dbraw/zinc/17/41/39/1045174139.db2.gz UKAYBYFHZCYWAL-UHFFFAOYSA-N 1 0 330.447 4.100 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000762614194 1045314550 /nfs/dbraw/zinc/31/45/50/1045314550.db2.gz KWVDDCULJUVZCS-KURKYZTESA-N 1 0 336.570 4.002 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2csc(Br)c2)cc1 ZINC000915678115 1045446030 /nfs/dbraw/zinc/44/60/30/1045446030.db2.gz HOYIKSBBLYJFPZ-UHFFFAOYSA-N 1 0 339.302 4.209 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000790534176 1045525822 /nfs/dbraw/zinc/52/58/22/1045525822.db2.gz UZVFKMAICLUEFV-UHFFFAOYSA-N 1 0 330.840 4.459 20 10 EICDRO Cc1cc(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n(C)n1 ZINC000790603227 1045544126 /nfs/dbraw/zinc/54/41/26/1045544126.db2.gz YDQGESWDJBXRSR-UHFFFAOYSA-N 1 0 343.515 4.319 20 10 EICDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1C[C@@H](C)c3c1c(O)ccc3F)CC2 ZINC000790697147 1045560741 /nfs/dbraw/zinc/56/07/41/1045560741.db2.gz KAQVFWDOWKEXRT-IVMMDQJWSA-N 1 0 343.446 4.004 20 10 EICDRO Cc1c(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cccc1[N+](=O)[O-] ZINC000790695285 1045561451 /nfs/dbraw/zinc/56/14/51/1045561451.db2.gz MIMWKRZEXBJCHX-CQSZACIVSA-N 1 0 340.423 4.338 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1F ZINC000767930553 1045683945 /nfs/dbraw/zinc/68/39/45/1045683945.db2.gz WHRHTTMIASLILG-QGZVFWFLSA-N 1 0 334.479 4.253 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccnc2ccccc12)C[C@H]1CCCO1 ZINC000768160912 1045729241 /nfs/dbraw/zinc/72/92/41/1045729241.db2.gz CAMGMGOQKVOZGZ-LJQANCHMSA-N 1 0 348.446 4.122 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162530 1045730488 /nfs/dbraw/zinc/73/04/88/1045730488.db2.gz NXEMXSXSBBPKFP-QHAWAJNXSA-N 1 0 337.463 4.177 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162527 1045731425 /nfs/dbraw/zinc/73/14/25/1045731425.db2.gz NXEMXSXSBBPKFP-ACRUOGEOSA-N 1 0 337.463 4.177 20 10 EICDRO Cc1ccc(F)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000768162549 1045731676 /nfs/dbraw/zinc/73/16/76/1045731676.db2.gz PKQUQNOYIVVPML-GOSISDBHSA-N 1 0 329.415 4.021 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2nn(C)c3ccccc23)cc1 ZINC000768208017 1045742267 /nfs/dbraw/zinc/74/22/67/1045742267.db2.gz MBPDPQCTTRJXDC-UHFFFAOYSA-N 1 0 336.483 4.052 20 10 EICDRO CCOc1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)c(O)c1 ZINC000768205401 1045743831 /nfs/dbraw/zinc/74/38/31/1045743831.db2.gz CTVPCBCISILHMO-UHFFFAOYSA-N 1 0 340.467 4.023 20 10 EICDRO Oc1cccc(Cl)c1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000768204204 1045744384 /nfs/dbraw/zinc/74/43/84/1045744384.db2.gz RMPUSIPPZGUQIA-ZDUSSCGKSA-N 1 0 337.872 4.288 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)cc1OC ZINC000768231476 1045759503 /nfs/dbraw/zinc/75/95/03/1045759503.db2.gz WOQSSKDGMPTVPL-SFHVURJKSA-N 1 0 341.451 4.363 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccnc3ccccc23)C2CC2)cc1 ZINC000768258200 1045768750 /nfs/dbraw/zinc/76/87/50/1045768750.db2.gz UAIMYAPVXOWLEC-UHFFFAOYSA-N 1 0 331.463 4.465 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1O ZINC000768256337 1045769764 /nfs/dbraw/zinc/76/97/64/1045769764.db2.gz CLKZQTJGTWZLSV-GUYCJALGSA-N 1 0 327.424 4.282 20 10 EICDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000768335050 1045790428 /nfs/dbraw/zinc/79/04/28/1045790428.db2.gz SBSNPPRRPVUQTC-UHFFFAOYSA-N 1 0 332.787 4.118 20 10 EICDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl ZINC000768340781 1045794256 /nfs/dbraw/zinc/79/42/56/1045794256.db2.gz DPAQQXWVKOBGIF-UHFFFAOYSA-N 1 0 344.886 4.199 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@H](c2ccccc2)C(C)C)cc1OC ZINC000768445092 1045807447 /nfs/dbraw/zinc/80/74/47/1045807447.db2.gz FKCLQNNWVIRPKY-FQEVSTJZSA-N 1 0 329.440 4.239 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000768441375 1045807896 /nfs/dbraw/zinc/80/78/96/1045807896.db2.gz KHDIYPGDTIQKPB-QGZVFWFLSA-N 1 0 327.424 4.055 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153776656 1045832737 /nfs/dbraw/zinc/83/27/37/1045832737.db2.gz XBOLFHGZIAAPLV-KKSFZXQISA-N 1 0 342.458 4.200 20 10 EICDRO CCOc1ccc(CN2CCc3[nH]c4ccc(C)cc4c3C2)c(O)c1 ZINC000768769018 1045834876 /nfs/dbraw/zinc/83/48/76/1045834876.db2.gz PZBPXDCNPSGDCR-UHFFFAOYSA-N 1 0 336.435 4.139 20 10 EICDRO COc1c(Cl)cc(Cl)cc1C[N@H+](C)Cc1ccccc1O ZINC000768872834 1045851338 /nfs/dbraw/zinc/85/13/38/1045851338.db2.gz JWXPWFLWQKMCDG-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000769191489 1045884803 /nfs/dbraw/zinc/88/48/03/1045884803.db2.gz BTACKNCJBMHINZ-UHFFFAOYSA-N 1 0 330.516 4.314 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000248853730 1045885224 /nfs/dbraw/zinc/88/52/24/1045885224.db2.gz PBOKFOBNRXRXIP-UQASEVPWSA-N 1 0 346.490 4.424 20 10 EICDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885382 /nfs/dbraw/zinc/88/53/82/1045885382.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 1 0 336.907 4.132 20 10 EICDRO CCC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1O ZINC000769200968 1045893396 /nfs/dbraw/zinc/89/33/96/1045893396.db2.gz LAZNPMJWJOPDTM-UHFFFAOYSA-N 1 0 339.464 4.323 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c1 ZINC000769317987 1045919246 /nfs/dbraw/zinc/91/92/46/1045919246.db2.gz DYXXYIOWXBDUHK-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000769329510 1045924711 /nfs/dbraw/zinc/92/47/11/1045924711.db2.gz LYKSLFZNVMJEPZ-OAQYLSRUSA-N 1 0 336.479 4.119 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000769386568 1045944541 /nfs/dbraw/zinc/94/45/41/1045944541.db2.gz BPKAFBITCRYOOL-UHFFFAOYSA-N 1 0 341.451 4.441 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385372 1045945950 /nfs/dbraw/zinc/94/59/50/1045945950.db2.gz WFWKOCNGTBNNQZ-RXVVDRJESA-N 1 0 338.495 4.186 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c1O ZINC000769398512 1045947748 /nfs/dbraw/zinc/94/77/48/1045947748.db2.gz RXJIYTNWEUFSIP-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c(O)c1 ZINC000769403917 1045951274 /nfs/dbraw/zinc/95/12/74/1045951274.db2.gz JUZGIMCGWMAIDQ-MRXNPFEDSA-N 1 0 332.469 4.065 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000769462876 1045983415 /nfs/dbraw/zinc/98/34/15/1045983415.db2.gz LHHVMUFHBALTSW-KUHUBIRLSA-N 1 0 329.465 4.079 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1F ZINC000769501624 1046001590 /nfs/dbraw/zinc/00/15/90/1046001590.db2.gz JSFNUCXOMZCLEZ-UHFFFAOYSA-N 1 0 334.479 4.063 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000769934706 1046116850 /nfs/dbraw/zinc/11/68/50/1046116850.db2.gz UVBTWTUGLHTQDU-UHFFFAOYSA-N 1 0 338.451 4.040 20 10 EICDRO CCC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000792994514 1046120989 /nfs/dbraw/zinc/12/09/89/1046120989.db2.gz FYGKDTZJLVXIPR-UHFFFAOYSA-N 1 0 344.421 4.068 20 10 EICDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792989220 1046122367 /nfs/dbraw/zinc/12/23/67/1046122367.db2.gz HVKRLRBJCKNIAR-JTQLQIEISA-N 1 0 341.377 4.227 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000769989441 1046124234 /nfs/dbraw/zinc/12/42/34/1046124234.db2.gz NAIVJRVPSCGYJV-XGHQBKJUSA-N 1 0 325.500 4.095 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000763396105 1046131712 /nfs/dbraw/zinc/13/17/12/1046131712.db2.gz CWOVYWZHXJTBCQ-NDXORKPFSA-N 1 0 326.484 4.306 20 10 EICDRO COCC1(C)CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793062648 1046133135 /nfs/dbraw/zinc/13/31/35/1046133135.db2.gz JOGHLIRAEWKKEG-UHFFFAOYSA-N 1 0 344.421 4.020 20 10 EICDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793074948 1046135197 /nfs/dbraw/zinc/13/51/97/1046135197.db2.gz UWURTVYMQSRHEX-ZIAGYGMSSA-N 1 0 344.421 4.066 20 10 EICDRO CCOC1CC(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793165844 1046154748 /nfs/dbraw/zinc/15/47/48/1046154748.db2.gz GNDOHMVGTVDQNL-UHFFFAOYSA-N 1 0 344.421 4.066 20 10 EICDRO Cc1cccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000793201911 1046160275 /nfs/dbraw/zinc/16/02/75/1046160275.db2.gz AISRFPAIKGKJOM-UHFFFAOYSA-N 1 0 348.446 4.007 20 10 EICDRO COc1cccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)c1O ZINC000770306888 1046176554 /nfs/dbraw/zinc/17/65/54/1046176554.db2.gz SWDWLIBPCDEKOK-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000154131719 1046177553 /nfs/dbraw/zinc/17/75/53/1046177553.db2.gz JANCGMDWEQNZPF-FXAWDEMLSA-N 1 0 341.499 4.223 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000793298492 1046198284 /nfs/dbraw/zinc/19/82/84/1046198284.db2.gz IHGZYZKXHLBZLZ-UHFFFAOYSA-N 1 0 348.494 4.248 20 10 EICDRO C[NH+](C)Cc1ccc(NCc2cc(Cl)ccc2O)cc1Cl ZINC000793344382 1046204949 /nfs/dbraw/zinc/20/49/49/1046204949.db2.gz RZIATMOTVKSENS-UHFFFAOYSA-N 1 0 325.239 4.373 20 10 EICDRO CCOc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)c(O)c1 ZINC000793337089 1046211911 /nfs/dbraw/zinc/21/19/11/1046211911.db2.gz AXABZSVMGXFLQO-UHFFFAOYSA-N 1 0 334.847 4.118 20 10 EICDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000793519697 1046262685 /nfs/dbraw/zinc/26/26/85/1046262685.db2.gz CFJUGSBPPWDFKG-OAHLLOKOSA-N 1 0 336.495 4.091 20 10 EICDRO Cc1[nH]c2ccc(NCc3cc(Cl)c4cccnc4c3O)cc2[nH+]1 ZINC001168521381 1046361807 /nfs/dbraw/zinc/36/18/07/1046361807.db2.gz ATXZZFMQDHASLM-UHFFFAOYSA-N 1 0 338.798 4.391 20 10 EICDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1N1CCOCC1 ZINC000916836432 1046376585 /nfs/dbraw/zinc/37/65/85/1046376585.db2.gz GIDIIDNESJSPCF-GBESFXJTSA-N 1 0 346.490 4.111 20 10 EICDRO CCCc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000916835720 1046377150 /nfs/dbraw/zinc/37/71/50/1046377150.db2.gz VWSFILOVYBDQFW-UHFFFAOYSA-N 1 0 340.536 4.482 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000771926987 1046518230 /nfs/dbraw/zinc/51/82/30/1046518230.db2.gz KQZWTKJNOBRFRY-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000772482241 1046647463 /nfs/dbraw/zinc/64/74/63/1046647463.db2.gz NNIIUDMNGZMOKV-MRXNPFEDSA-N 1 0 336.495 4.265 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000785573438 1046723682 /nfs/dbraw/zinc/72/36/82/1046723682.db2.gz PXGVPNKWBYUBSE-FVJLSDCUSA-N 1 0 326.484 4.351 20 10 EICDRO CCOc1ccc(CNc2ccc(C[NH+](CC)CC)cc2)c(O)c1 ZINC000786826664 1046872436 /nfs/dbraw/zinc/87/24/36/1046872436.db2.gz FWOYQUKLHCNUMF-UHFFFAOYSA-N 1 0 328.456 4.245 20 10 EICDRO CO[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)C(F)(F)F ZINC000786823890 1046875528 /nfs/dbraw/zinc/87/55/28/1046875528.db2.gz PKCHQLPNRFFBCZ-QGZVFWFLSA-N 1 0 339.357 4.116 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)cc1 ZINC000786822146 1046875939 /nfs/dbraw/zinc/87/59/39/1046875939.db2.gz UUNLPHTZECYNMJ-LJQANCHMSA-N 1 0 344.886 4.200 20 10 EICDRO CO[C@H](CC[NH2+][C@H](C)c1ccc2ccccc2c1O)C(F)(F)F ZINC000786953868 1046883440 /nfs/dbraw/zinc/88/34/40/1046883440.db2.gz NRXFXMZRPOBEDP-IAQYHMDHSA-N 1 0 327.346 4.163 20 10 EICDRO Cc1nccn1CCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000746627001 1046892047 /nfs/dbraw/zinc/89/20/47/1046892047.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 1 0 349.434 4.319 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000917474202 1046896975 /nfs/dbraw/zinc/89/69/75/1046896975.db2.gz IRJAXXZQGLMYFB-GOSISDBHSA-N 1 0 336.410 4.287 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COc1ccc(N2CCC[N@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000809551225 1048412029 /nfs/dbraw/zinc/41/20/29/1048412029.db2.gz QBHQXCDBUHPYOD-UHFFFAOYSA-N 1 0 336.435 4.154 20 10 EICDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700960 1048467220 /nfs/dbraw/zinc/46/72/20/1048467220.db2.gz RVFZPAHFHHJQTC-NQIIRXRSSA-N 1 0 330.516 4.192 20 10 EICDRO CCC[N@H+](CCc1ccccn1)Cc1cc(Br)ccc1O ZINC000809734543 1048484821 /nfs/dbraw/zinc/48/48/21/1048484821.db2.gz JFKJOHIMSFQAPT-UHFFFAOYSA-N 1 0 349.272 4.004 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000815553330 1048504542 /nfs/dbraw/zinc/50/45/42/1048504542.db2.gz XSJYXNRSVDRHAP-QAPCUYQASA-N 1 0 330.447 4.102 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000815553553 1048505987 /nfs/dbraw/zinc/50/59/87/1048505987.db2.gz CRPAAOBFVWPDLZ-GGAORHGYSA-N 1 0 347.458 4.389 20 10 EICDRO CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815553518 1048506350 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CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1cc(OC)ccc1O ZINC000809748527 1048516029 /nfs/dbraw/zinc/51/60/29/1048516029.db2.gz UIQQAWBELOTTBG-UHFFFAOYSA-N 1 0 348.446 4.485 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1O ZINC000809749365 1048516989 /nfs/dbraw/zinc/51/69/89/1048516989.db2.gz MZTULOKDTTXLPB-UHFFFAOYSA-N 1 0 347.890 4.243 20 10 EICDRO CCC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579926 1048521360 /nfs/dbraw/zinc/52/13/60/1048521360.db2.gz YPZBODYLXUBQNK-TZIWHRDSSA-N 1 0 327.468 4.207 20 10 EICDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815583381 1048521529 /nfs/dbraw/zinc/52/15/29/1048521529.db2.gz DLBQBNASFDMAIQ-PBHICJAKSA-N 1 0 327.424 4.192 20 10 EICDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000809763919 1048523462 /nfs/dbraw/zinc/52/34/62/1048523462.db2.gz SNWNPSGMFFNSHB-QGZVFWFLSA-N 1 0 347.842 4.218 20 10 EICDRO C[C@@H]1C[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCO1 ZINC000815590531 1048528424 /nfs/dbraw/zinc/52/84/24/1048528424.db2.gz ZBDFGQNTSWSQTA-QFUCXCTJSA-N 1 0 339.479 4.471 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ncccc1F ZINC000815598306 1048529250 /nfs/dbraw/zinc/52/92/50/1048529250.db2.gz RHGZRFJZQCVSQT-IBGZPJMESA-N 1 0 336.410 4.390 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(O)c1 ZINC000815597869 1048529293 /nfs/dbraw/zinc/52/92/93/1048529293.db2.gz IAEMDVLUJFQGIA-OXQOHEQNSA-N 1 0 325.452 4.173 20 10 EICDRO C[C@H](O)CC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595064 1048529751 /nfs/dbraw/zinc/52/97/51/1048529751.db2.gz GUTKWTAYITWJIS-FXAWDEMLSA-N 1 0 341.495 4.453 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c(O)c1 ZINC000815598665 1048532785 /nfs/dbraw/zinc/53/27/85/1048532785.db2.gz ZTMWVFLZCRLCRL-PKOBYXMFSA-N 1 0 341.495 4.462 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788514 1048534303 /nfs/dbraw/zinc/53/43/03/1048534303.db2.gz SLMDEUYEMYZRIU-MEDUHNTESA-N 1 0 348.240 4.075 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)N2CCCC2)o1 ZINC000815573099 1048535878 /nfs/dbraw/zinc/53/58/78/1048535878.db2.gz YCNSSDPQSCXSEN-MSOLQXFVSA-N 1 0 342.483 4.398 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3C)CC2)cc1 ZINC000815573625 1048537539 /nfs/dbraw/zinc/53/75/39/1048537539.db2.gz OSECELFTNYKAHG-INIZCTEOSA-N 1 0 342.458 4.462 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000815615716 1048542905 /nfs/dbraw/zinc/54/29/05/1048542905.db2.gz VYSYRZMLTKBXRD-ICSRJNTNSA-N 1 0 325.452 4.082 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)c(Cl)cc1[O-] ZINC000844923272 1048548200 /nfs/dbraw/zinc/54/82/00/1048548200.db2.gz HMWUYSHVLSPSBJ-SECBINFHSA-N 1 0 343.229 4.148 20 10 EICDRO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000844923559 1048549958 /nfs/dbraw/zinc/54/99/58/1048549958.db2.gz IWZHPESAAUSSRR-NSHDSACASA-N 1 0 339.266 4.269 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649823 1048571805 /nfs/dbraw/zinc/57/18/05/1048571805.db2.gz ZSMQUIJYNBXYKE-XLKFXECMSA-N 1 0 325.305 4.287 20 10 EICDRO CO[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815651410 1048575284 /nfs/dbraw/zinc/57/52/84/1048575284.db2.gz SDQFFYMEGTVWKI-PZJWPPBQSA-N 1 0 325.452 4.081 20 10 EICDRO CO[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000815651411 1048576202 /nfs/dbraw/zinc/57/62/02/1048576202.db2.gz SDQFFYMEGTVWKI-TZIWHRDSSA-N 1 0 325.452 4.081 20 10 EICDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2O)cc1 ZINC000810171743 1048654098 /nfs/dbraw/zinc/65/40/98/1048654098.db2.gz SBBUOYIEVKKNSR-NRFANRHFSA-N 1 0 333.431 4.474 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)cc1F ZINC000810216258 1048685917 /nfs/dbraw/zinc/68/59/17/1048685917.db2.gz HBTWPBUNCIVGNE-AWEZNQCLSA-N 1 0 346.446 4.237 20 10 EICDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810220039 1048689036 /nfs/dbraw/zinc/68/90/36/1048689036.db2.gz ZTWOCZLNFGVFFE-HZPDHXFCSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(C(F)(F)F)cc1O ZINC000810224726 1048692244 /nfs/dbraw/zinc/69/22/44/1048692244.db2.gz XGNBLRPUWQELOE-JYYAWHABSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810224653 1048692554 /nfs/dbraw/zinc/69/25/54/1048692554.db2.gz XARGMUYPEYPEMU-JMSVASOKSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209962 1048707028 /nfs/dbraw/zinc/70/70/28/1048707028.db2.gz XSKJYFWJXYFSJN-HRCADAONSA-N 1 0 342.405 4.079 20 10 EICDRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810210599 1048707848 /nfs/dbraw/zinc/70/78/48/1048707848.db2.gz ZMGGBNWZSBUPNC-OAHLLOKOSA-N 1 0 341.377 4.116 20 10 EICDRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1O ZINC000810210598 1048709202 /nfs/dbraw/zinc/70/92/02/1048709202.db2.gz ZMGGBNWZSBUPNC-HNNXBMFYSA-N 1 0 341.377 4.116 20 10 EICDRO CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810259680 1048711646 /nfs/dbraw/zinc/71/16/46/1048711646.db2.gz PEZPAVXYYHDSEC-GJZGRUSLSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236747 1048719266 /nfs/dbraw/zinc/71/92/66/1048719266.db2.gz MNACJADWUKHNNC-PELKAZGASA-N 1 0 345.390 4.373 20 10 EICDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1cccc(OC)c1 ZINC000748051428 1048724939 /nfs/dbraw/zinc/72/49/39/1048724939.db2.gz WAHCGASLHDVGPD-ZDUSSCGKSA-N 1 0 345.414 4.326 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c(O)c1C ZINC000810252602 1048730431 /nfs/dbraw/zinc/73/04/31/1048730431.db2.gz GYXFECZWKIUILN-IFXJQAMLSA-N 1 0 331.481 4.209 20 10 EICDRO CCCCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972701 1048772431 /nfs/dbraw/zinc/77/24/31/1048772431.db2.gz SSYUQKUHTWHXTE-HNNXBMFYSA-N 1 0 329.440 4.431 20 10 EICDRO CCCCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972703 1048773058 /nfs/dbraw/zinc/77/30/58/1048773058.db2.gz SSYUQKUHTWHXTE-OAHLLOKOSA-N 1 0 329.440 4.431 20 10 EICDRO Oc1c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)ccc2ccccc21 ZINC000846015429 1048785014 /nfs/dbraw/zinc/78/50/14/1048785014.db2.gz MZHBUCQOUPPCEE-UHFFFAOYSA-N 1 0 339.332 4.412 20 10 EICDRO Cn1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)c1Cl ZINC000816480131 1048811297 /nfs/dbraw/zinc/81/12/97/1048811297.db2.gz DMHFRRWBFNLPOG-UHFFFAOYSA-N 1 0 333.863 4.114 20 10 EICDRO COc1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000846108257 1048814248 /nfs/dbraw/zinc/81/42/48/1048814248.db2.gz YJKIXIVTECYKSE-UHFFFAOYSA-N 1 0 337.341 4.199 20 10 EICDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816494420 1048814666 /nfs/dbraw/zinc/81/46/66/1048814666.db2.gz KQJKKRJIPOJYDA-UHFFFAOYSA-N 1 0 346.430 4.062 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H]2SCCc3ccccc32)c1O ZINC000846151660 1048823365 /nfs/dbraw/zinc/82/33/65/1048823365.db2.gz ZYLAEXNGHORHEY-SCLBCKFNSA-N 1 0 329.465 4.082 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2SCCc3ccccc32)c1O ZINC000846151661 1048823741 /nfs/dbraw/zinc/82/37/41/1048823741.db2.gz ZYLAEXNGHORHEY-UGSOOPFHSA-N 1 0 329.465 4.082 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1O ZINC000846153413 1048824222 /nfs/dbraw/zinc/82/42/22/1048824222.db2.gz YHEVFJSGGLINDA-AWEZNQCLSA-N 1 0 327.424 4.183 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)c1O ZINC000846155027 1048824570 /nfs/dbraw/zinc/82/45/70/1048824570.db2.gz OTEINOVVWJRLCB-STQMWFEESA-N 1 0 335.831 4.172 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2Cl)c1O ZINC000846154439 1048825223 /nfs/dbraw/zinc/82/52/23/1048825223.db2.gz QTOMEYVGYUBZKU-PXAZEXFGSA-N 1 0 335.831 4.093 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816535877 1048825607 /nfs/dbraw/zinc/82/56/07/1048825607.db2.gz CZYDWXTWZAWTTQ-UHFFFAOYSA-N 1 0 334.419 4.184 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000846161967 1048826756 /nfs/dbraw/zinc/82/67/56/1048826756.db2.gz DFHKIFGMBLDSSI-IYJAJMOOSA-N 1 0 345.414 4.111 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)c1O ZINC000846165060 1048826917 /nfs/dbraw/zinc/82/69/17/1048826917.db2.gz MNUGDFRWXFRVOZ-WTOJCKNJSA-N 1 0 349.858 4.481 20 10 EICDRO Oc1c(C[NH2+]Cc2cccc(Cn3cccn3)c2)ccc2ccccc21 ZINC000816537924 1048827539 /nfs/dbraw/zinc/82/75/39/1048827539.db2.gz YMFCMAJDANIQBN-UHFFFAOYSA-N 1 0 343.430 4.080 20 10 EICDRO COC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846168516 1048827833 /nfs/dbraw/zinc/82/78/33/1048827833.db2.gz JWPBVDIGIKRLRF-DZGCQCFKSA-N 1 0 349.858 4.135 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169162 1048828278 /nfs/dbraw/zinc/82/82/78/1048828278.db2.gz PIOYZSGXJYCUPS-TVQRCGJNSA-N 1 0 337.341 4.156 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)(F)F)c1O ZINC000846135415 1048829778 /nfs/dbraw/zinc/82/97/78/1048829778.db2.gz DBMNQTYLPIROQA-LLVKDONJSA-N 1 0 341.329 4.150 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)c1O ZINC000846136964 1048829787 /nfs/dbraw/zinc/82/97/87/1048829787.db2.gz OPVKYALJZCCVOX-HOTGVXAUSA-N 1 0 329.440 4.219 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@H](Nc2ccccc2)C(C)C)c1O ZINC000846142697 1048831209 /nfs/dbraw/zinc/83/12/09/1048831209.db2.gz ABYBXHPFLFMRJN-QAPCUYQASA-N 1 0 328.456 4.188 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1O ZINC000846142704 1048831518 /nfs/dbraw/zinc/83/15/18/1048831518.db2.gz ALCPRHHLMJDPJG-CYBMUJFWSA-N 1 0 346.496 4.020 20 10 EICDRO Oc1c(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)ccc2ccccc12 ZINC000816553396 1048832302 /nfs/dbraw/zinc/83/23/02/1048832302.db2.gz UHHBOSDRJVGSMB-QGZVFWFLSA-N 1 0 345.801 4.161 20 10 EICDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc2ccccc2c1O ZINC000816559246 1048836094 /nfs/dbraw/zinc/83/60/94/1048836094.db2.gz COZCXWKBINWRNK-GUYCJALGSA-N 1 0 327.449 4.209 20 10 EICDRO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185083 1048836673 /nfs/dbraw/zinc/83/66/73/1048836673.db2.gz YMKQLMBMMOKZGL-VOBQZIQPSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000846185492 1048836806 /nfs/dbraw/zinc/83/68/06/1048836806.db2.gz AGVDQIDHAMLXIE-SPLOXXLWSA-N 1 0 329.484 4.127 20 10 EICDRO Oc1c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)ccc2ccccc21 ZINC000816569126 1048836952 /nfs/dbraw/zinc/83/69/52/1048836952.db2.gz AHUDDMYLXLMSCE-UHFFFAOYSA-N 1 0 347.458 4.465 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1O ZINC000816631337 1048840998 /nfs/dbraw/zinc/84/09/98/1048840998.db2.gz OEAFUQUWCOVHOR-IBGZPJMESA-N 1 0 345.870 4.348 20 10 EICDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816601138 1048841717 /nfs/dbraw/zinc/84/17/17/1048841717.db2.gz SQCIIHDGHLAOFC-IBGZPJMESA-N 1 0 337.394 4.470 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2CCc3ccc(Br)cc3C2)c1O ZINC001170855627 1048897353 /nfs/dbraw/zinc/89/73/53/1048897353.db2.gz APXOMARGWRPZRB-KRWDZBQOSA-N 1 0 346.268 4.110 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccncc1Cl ZINC000817575530 1049007370 /nfs/dbraw/zinc/00/73/70/1049007370.db2.gz ICGMWXYFWMPMDC-AWEZNQCLSA-N 1 0 347.915 4.139 20 10 EICDRO Cc1c2ccccc2oc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938599 1049061937 /nfs/dbraw/zinc/06/19/37/1049061937.db2.gz ODJKGUVOGQHGJF-DNVCBOLYSA-N 1 0 337.467 4.158 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817949733 1049063595 /nfs/dbraw/zinc/06/35/95/1049063595.db2.gz UJAPXONBNPPALN-LLVKDONJSA-N 1 0 339.266 4.051 20 10 EICDRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817956315 1049066210 /nfs/dbraw/zinc/06/62/10/1049066210.db2.gz WIRGKPCKHJLGQN-ICSRJNTNSA-N 1 0 342.458 4.275 20 10 EICDRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(N)cc2)cc1F ZINC000817956314 1049067508 /nfs/dbraw/zinc/06/75/08/1049067508.db2.gz WIRGKPCKHJLGQN-AZUAARDMSA-N 1 0 342.458 4.275 20 10 EICDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966449 1049072513 /nfs/dbraw/zinc/07/25/13/1049072513.db2.gz OBQAIPLVTCPUCN-ZBFHGGJFSA-N 1 0 331.287 4.129 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1O ZINC000817975855 1049075112 /nfs/dbraw/zinc/07/51/12/1049075112.db2.gz YRQUFUREPFISED-QVKFZJNVSA-N 1 0 332.447 4.083 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984819 1049080967 /nfs/dbraw/zinc/08/09/67/1049080967.db2.gz ANNMXHGZXNTRDA-WDEREUQCSA-N 1 0 329.271 4.024 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccc3F)C2)cc1 ZINC000818116889 1049090391 /nfs/dbraw/zinc/09/03/91/1049090391.db2.gz RCYPDWWPVJLWPE-HZPDHXFCSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000818117398 1049091994 /nfs/dbraw/zinc/09/19/94/1049091994.db2.gz XSSWHHLCWKCNAE-HZPDHXFCSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccsc3Cl)C2)cc1 ZINC000818222940 1049114891 /nfs/dbraw/zinc/11/48/91/1049114891.db2.gz YRLQQTIBUCVKMA-ZDUSSCGKSA-N 1 0 336.888 4.026 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987460 1049265150 /nfs/dbraw/zinc/26/51/50/1049265150.db2.gz WEUJALBJIMXORP-HNAYVOBHSA-N 1 0 340.467 4.326 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)ccc1N(C)C ZINC000772994813 1049378046 /nfs/dbraw/zinc/37/80/46/1049378046.db2.gz BQIUYVSVQQJUAL-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)CCC2 ZINC001170943558 1049431342 /nfs/dbraw/zinc/43/13/42/1049431342.db2.gz LVXAZKSNJBCQSN-MRXNPFEDSA-N 1 0 343.854 4.057 20 10 EICDRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1O ZINC000282797398 1049462380 /nfs/dbraw/zinc/46/23/80/1049462380.db2.gz QPKHADOTPFOCHC-NHYWBVRUSA-N 1 0 348.240 4.329 20 10 EICDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000773044470 1049550919 /nfs/dbraw/zinc/55/09/19/1049550919.db2.gz PUGDJFQWYWYEON-LAUBAEHRSA-N 1 0 330.516 4.269 20 10 EICDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050945 1049553928 /nfs/dbraw/zinc/55/39/28/1049553928.db2.gz VWMLSLMQKPJMMH-QFBILLFUSA-N 1 0 344.524 4.431 20 10 EICDRO Cc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1O ZINC000812773579 1049570658 /nfs/dbraw/zinc/57/06/58/1049570658.db2.gz GQRBNUCQFLOXHO-JCNLHEQBSA-N 1 0 346.268 4.499 20 10 EICDRO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000773096978 1049581395 /nfs/dbraw/zinc/58/13/95/1049581395.db2.gz FAABCJZVRVHPJX-SFTDATJTSA-N 1 0 338.495 4.307 20 10 EICDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107936 1049585040 /nfs/dbraw/zinc/58/50/40/1049585040.db2.gz RKGLNTKMDZLTRG-HOCLYGCPSA-N 1 0 344.421 4.031 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCCCc3ccccc3)CC2)cc1 ZINC000812822508 1049585695 /nfs/dbraw/zinc/58/56/95/1049585695.db2.gz QJXHIVIGAFPEQQ-UHFFFAOYSA-N 1 0 338.495 4.277 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000773133101 1049596697 /nfs/dbraw/zinc/59/66/97/1049596697.db2.gz QEUAEBAWGIRCQG-OAHLLOKOSA-N 1 0 327.472 4.176 20 10 EICDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773142640 1049607664 /nfs/dbraw/zinc/60/76/64/1049607664.db2.gz ZDDXHILBSSUXGK-DLBZAZTESA-N 1 0 342.483 4.127 20 10 EICDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773149878 1049614618 /nfs/dbraw/zinc/61/46/18/1049614618.db2.gz NAAZNSCJXIWLTD-GCKMJXCFSA-N 1 0 342.483 4.188 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773152658 1049615364 /nfs/dbraw/zinc/61/53/64/1049615364.db2.gz RVWZNPCIKQHUFO-SIFCLUCFSA-N 1 0 330.447 4.319 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000747831759 1049658282 /nfs/dbraw/zinc/65/82/82/1049658282.db2.gz SHNYJGVTHRTCHH-SJORKVTESA-N 1 0 331.500 4.247 20 10 EICDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1cccc(OC)c1 ZINC000179723261 1049732535 /nfs/dbraw/zinc/73/25/35/1049732535.db2.gz SSMIYILBBYGXJX-AWEZNQCLSA-N 1 0 345.439 4.001 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(-c3cccs3)s2)c1 ZINC000813331436 1049752545 /nfs/dbraw/zinc/75/25/45/1049752545.db2.gz OXOSMGFAHLQIDL-LLVKDONJSA-N 1 0 346.477 4.437 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC001171729566 1049786823 /nfs/dbraw/zinc/78/68/23/1049786823.db2.gz KYTKVGZAISYWNS-UHFFFAOYSA-N 1 0 334.463 4.417 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001171791476 1049805086 /nfs/dbraw/zinc/80/50/86/1049805086.db2.gz LYNMBZAFJMRDLI-FQEVSTJZSA-N 1 0 326.459 4.489 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000237894170 1049811877 /nfs/dbraw/zinc/81/18/77/1049811877.db2.gz SIEDYLJFMLFVBB-MRXNPFEDSA-N 1 0 332.394 4.047 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000813883434 1049831758 /nfs/dbraw/zinc/83/17/58/1049831758.db2.gz KHTAASOZIXYTEN-HOTGVXAUSA-N 1 0 328.431 4.078 20 10 EICDRO COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447180 1049847774 /nfs/dbraw/zinc/84/77/74/1049847774.db2.gz DCXPIEOFBRCAIU-GOSISDBHSA-N 1 0 344.524 4.243 20 10 EICDRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(N2CCOCC2)cc1 ZINC000068478424 1049856404 /nfs/dbraw/zinc/85/64/04/1049856404.db2.gz FKPRAFQBOTWFPI-TWOQFEAHSA-N 1 0 340.467 4.090 20 10 EICDRO CN(c1ccc(C[NH2+]Cc2ccncc2F)cc1)C1CCCCC1 ZINC000823737442 1049871636 /nfs/dbraw/zinc/87/16/36/1049871636.db2.gz YMZICRRNCLAMQF-UHFFFAOYSA-N 1 0 327.447 4.279 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1 ZINC000180419275 1049895315 /nfs/dbraw/zinc/89/53/15/1049895315.db2.gz DDKJZAXEGYDRKS-QGZVFWFLSA-N 1 0 348.494 4.394 20 10 EICDRO c1csc(SCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)n1 ZINC000180574862 1049919416 /nfs/dbraw/zinc/91/94/16/1049919416.db2.gz ZSBTXMXKHMSXMA-KRWDZBQOSA-N 1 0 341.505 4.400 20 10 EICDRO Cc1nc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)sc1C ZINC000763491268 1050068347 /nfs/dbraw/zinc/06/83/47/1050068347.db2.gz XDQQYLANOPEKAY-UHFFFAOYSA-N 1 0 338.476 4.465 20 10 EICDRO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Br)ccc1O)CC2 ZINC001172833038 1050169423 /nfs/dbraw/zinc/16/94/23/1050169423.db2.gz VMAYKOPSFFAXQI-KRWDZBQOSA-N 1 0 346.268 4.110 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCOc2cc(C)cc(C)c2)cc1 ZINC001177476057 1050217051 /nfs/dbraw/zinc/21/70/51/1050217051.db2.gz WOWIQLZUOWGTCY-UHFFFAOYSA-N 1 0 326.484 4.318 20 10 EICDRO CCCOc1ccc(C[NH2+]CCN(C)Cc2ccccc2)cc1C ZINC001177474697 1050217359 /nfs/dbraw/zinc/21/73/59/1050217359.db2.gz FGTFJFWDHITRED-UHFFFAOYSA-N 1 0 326.484 4.005 20 10 EICDRO CCOc1cccc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001177553940 1050240874 /nfs/dbraw/zinc/24/08/74/1050240874.db2.gz GQVTXBGBERDJEO-ZDUSSCGKSA-N 1 0 334.410 4.280 20 10 EICDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001172962097 1050248919 /nfs/dbraw/zinc/24/89/19/1050248919.db2.gz ZWJDFYGHQFLDIU-CVEARBPZSA-N 1 0 349.519 4.049 20 10 EICDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001177624786 1050268550 /nfs/dbraw/zinc/26/85/50/1050268550.db2.gz SYAGBYKYVHLAIQ-CQSZACIVSA-N 1 0 334.257 4.266 20 10 EICDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC001177729130 1050280774 /nfs/dbraw/zinc/28/07/74/1050280774.db2.gz HWWKABFUOXEZCB-STQMWFEESA-N 1 0 326.278 4.459 20 10 EICDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC001177843431 1050312867 /nfs/dbraw/zinc/31/28/67/1050312867.db2.gz ARCJUCUQUPAUII-OAHLLOKOSA-N 1 0 332.438 4.368 20 10 EICDRO CCO[C@@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CCCC1 ZINC001177972257 1050334648 /nfs/dbraw/zinc/33/46/48/1050334648.db2.gz FZPWGSTUVPMMQY-CQQBXOTJSA-N 1 0 330.516 4.341 20 10 EICDRO c1cc(-c2ccccc2)oc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069783639 1050346412 /nfs/dbraw/zinc/34/64/12/1050346412.db2.gz XYDZKKNSRIDQOA-UHFFFAOYSA-N 1 0 348.446 4.073 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001178237325 1050421795 /nfs/dbraw/zinc/42/17/95/1050421795.db2.gz DAKWLAFELRAVCB-QFIPXVFZSA-N 1 0 336.479 4.463 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC001178426161 1050467940 /nfs/dbraw/zinc/46/79/40/1050467940.db2.gz VBJLKNDKXJGBNN-FQEVSTJZSA-N 1 0 342.870 4.137 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCn2ccc3cc(Cl)ccc32)cc1F ZINC001178699896 1050534357 /nfs/dbraw/zinc/53/43/57/1050534357.db2.gz DKOIUECAJJPCGL-UHFFFAOYSA-N 1 0 345.849 4.290 20 10 EICDRO COc1ccccc1OC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664151 1050558717 /nfs/dbraw/zinc/55/87/17/1050558717.db2.gz OQVRCUPSFVLXLF-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO CO[C@](C)(C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1CC1 ZINC001178777590 1050562045 /nfs/dbraw/zinc/56/20/45/1050562045.db2.gz BBYSUGPYGSBAHE-HXUWFJFHSA-N 1 0 344.524 4.289 20 10 EICDRO CC(=O)Oc1ccc(C2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC001173781337 1050569701 /nfs/dbraw/zinc/56/97/01/1050569701.db2.gz ISSCTHGBHGIBLZ-UHFFFAOYSA-N 1 0 339.435 4.134 20 10 EICDRO CCCN(Cc1c(C2CC2)nc2sccn12)c1ccc(C[NH3+])cc1 ZINC000775140618 1050605118 /nfs/dbraw/zinc/60/51/18/1050605118.db2.gz NKGKYCXMUCZHQN-UHFFFAOYSA-N 1 0 340.496 4.149 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC001179015745 1050610508 /nfs/dbraw/zinc/61/05/08/1050610508.db2.gz LAGSMFFRHYUGJR-JOCHJYFZSA-N 1 0 342.527 4.362 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC001179044653 1050613175 /nfs/dbraw/zinc/61/31/75/1050613175.db2.gz MCKCNBLHOBTZKD-FGZHOGPDSA-N 1 0 343.559 4.420 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1F ZINC001179049316 1050618363 /nfs/dbraw/zinc/61/83/63/1050618363.db2.gz LHKZVDCQMBLIRI-QGZVFWFLSA-N 1 0 334.479 4.253 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000182363348 1050628223 /nfs/dbraw/zinc/62/82/23/1050628223.db2.gz UUKPQJNRGJRSGA-GFCCVEGCSA-N 1 0 342.370 4.046 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)oc4ccccc43)C2)cc1 ZINC001179128657 1050637611 /nfs/dbraw/zinc/63/76/11/1050637611.db2.gz BXGQZIWYMCPFBO-MRXNPFEDSA-N 1 0 336.435 4.118 20 10 EICDRO CCOc1cncc(C[NH2+]CCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001179295479 1050664346 /nfs/dbraw/zinc/66/43/46/1050664346.db2.gz MMVGWNXNAZZRBN-UHFFFAOYSA-N 1 0 349.478 4.220 20 10 EICDRO CCCn1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c(C)n1 ZINC001179339033 1050679874 /nfs/dbraw/zinc/67/98/74/1050679874.db2.gz RGTTZQSULDAOJC-UHFFFAOYSA-N 1 0 336.483 4.299 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001179686205 1050747515 /nfs/dbraw/zinc/74/75/15/1050747515.db2.gz URPPMLRJFLOQQT-CQSZACIVSA-N 1 0 337.423 4.288 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc2n[nH]cc21 ZINC001179845139 1050795171 /nfs/dbraw/zinc/79/51/71/1050795171.db2.gz MMYAUDWAIKTPFN-UHFFFAOYSA-N 1 0 334.467 4.185 20 10 EICDRO CC[N@H+](Cc1ccccc1C)Cc1c(O)cccc1Br ZINC001179909061 1050832326 /nfs/dbraw/zinc/83/23/26/1050832326.db2.gz BTPBNJYVYNCUTQ-UHFFFAOYSA-N 1 0 334.257 4.485 20 10 EICDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962789 1050848355 /nfs/dbraw/zinc/84/83/55/1050848355.db2.gz SJSRDQWUIDMKPD-CJNGLKHVSA-N 1 0 345.439 4.284 20 10 EICDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1O ZINC001180051543 1050866991 /nfs/dbraw/zinc/86/69/91/1050866991.db2.gz HTZGYCQXSXFYLV-QGZVFWFLSA-N 1 0 333.859 4.127 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC001180112352 1050887488 /nfs/dbraw/zinc/88/74/88/1050887488.db2.gz IJHSYHBDGZFTEV-CQSZACIVSA-N 1 0 330.422 4.459 20 10 EICDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1 ZINC001180198672 1050927703 /nfs/dbraw/zinc/92/77/03/1050927703.db2.gz HCVAQZIHFUGFRS-AWEZNQCLSA-N 1 0 332.435 4.099 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)c(O)c1OC ZINC001180285124 1050955402 /nfs/dbraw/zinc/95/54/02/1050955402.db2.gz WRBUHRPXTYSKSI-UHFFFAOYSA-N 1 0 347.430 4.349 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(C)c(F)c1 ZINC001180354110 1050968008 /nfs/dbraw/zinc/96/80/08/1050968008.db2.gz SGJIYTNYIONGJQ-INIZCTEOSA-N 1 0 333.403 4.098 20 10 EICDRO Cc1c[nH+]ccc1Nc1cc(Br)c(C(F)(F)F)cc1O ZINC001174539049 1051031413 /nfs/dbraw/zinc/03/14/13/1051031413.db2.gz ZKDDVGXQCKXADR-UHFFFAOYSA-N 1 0 347.134 4.042 20 10 EICDRO Cc1ccc2cc(CN(C)c3ccc(OCC[NH+](C)C)cc3)ccc2n1 ZINC001180665253 1051059620 /nfs/dbraw/zinc/05/96/20/1051059620.db2.gz KRMPJUBOEDYRHO-UHFFFAOYSA-N 1 0 349.478 4.120 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC001180942594 1051117783 /nfs/dbraw/zinc/11/77/83/1051117783.db2.gz JQQFRONYPXVXLS-OXQOHEQNSA-N 1 0 326.484 4.044 20 10 EICDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000183500149 1051139558 /nfs/dbraw/zinc/13/95/58/1051139558.db2.gz SCKMDOUSGXTYEI-CQSZACIVSA-N 1 0 329.440 4.038 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCSCc2ccccc2)c1 ZINC000775369301 1051140765 /nfs/dbraw/zinc/14/07/65/1051140765.db2.gz NCEKHRRBZGUHCG-HNNXBMFYSA-N 1 0 331.481 4.375 20 10 EICDRO CC(C)[N@H+](CCN(C)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001190437233 1051185809 /nfs/dbraw/zinc/18/58/09/1051185809.db2.gz VKJIEBNUTROQED-UHFFFAOYSA-N 1 0 325.500 4.099 20 10 EICDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001181223590 1051190111 /nfs/dbraw/zinc/19/01/11/1051190111.db2.gz QFXIWIRACXUASS-CKEIUWERSA-N 1 0 338.948 4.417 20 10 EICDRO CCCCn1cc(C[NH2+]Cc2ccc(N(CC)CC)cc2)c(C)n1 ZINC000773411282 1051224473 /nfs/dbraw/zinc/22/44/73/1051224473.db2.gz YUOCHFWPAZFVHY-UHFFFAOYSA-N 1 0 328.504 4.128 20 10 EICDRO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001181730768 1051288271 /nfs/dbraw/zinc/28/82/71/1051288271.db2.gz UEDTYRCXEZDATN-UHFFFAOYSA-N 1 0 348.849 4.205 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1O ZINC000775422900 1051307529 /nfs/dbraw/zinc/30/75/29/1051307529.db2.gz MEKOUKIAUZBHER-LJQANCHMSA-N 1 0 327.399 4.365 20 10 EICDRO C[N@H+](CCc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183759829 1051364279 /nfs/dbraw/zinc/36/42/79/1051364279.db2.gz AMHAVMXXGHMAJO-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321001 1051395706 /nfs/dbraw/zinc/39/57/06/1051395706.db2.gz CBQNOQLXNWAOMO-MRXNPFEDSA-N 1 0 330.369 4.011 20 10 EICDRO O=C1CCC2(CC1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328263 1051447649 /nfs/dbraw/zinc/44/76/49/1051447649.db2.gz FHSMDRGRLDASSU-UHFFFAOYSA-N 1 0 326.484 4.012 20 10 EICDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000775463801 1051477310 /nfs/dbraw/zinc/47/73/10/1051477310.db2.gz APOWRJCHETVBRK-UHFFFAOYSA-N 1 0 329.415 4.321 20 10 EICDRO CCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)cc1 ZINC000775488662 1051568786 /nfs/dbraw/zinc/56/87/86/1051568786.db2.gz QSQNVCBDRNXLFW-KRWDZBQOSA-N 1 0 346.858 4.036 20 10 EICDRO CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000774499653 1051616129 /nfs/dbraw/zinc/61/61/29/1051616129.db2.gz XRGWMNJBGWUUNA-MZMPZRCHSA-N 1 0 329.415 4.447 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000273440148 1051621763 /nfs/dbraw/zinc/62/17/63/1051621763.db2.gz YELLKTLTTHUBAV-NWDGAFQWSA-N 1 0 337.366 4.414 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1 ZINC000273440150 1051622715 /nfs/dbraw/zinc/62/27/15/1051622715.db2.gz YELLKTLTTHUBAV-VXGBXAGGSA-N 1 0 337.366 4.414 20 10 EICDRO CC[C@H]([NH2+]CCCCNc1ccccn1)c1cc(Cl)ccc1O ZINC000775499681 1051624042 /nfs/dbraw/zinc/62/40/42/1051624042.db2.gz TWTBEDDYJQLQQU-INIZCTEOSA-N 1 0 333.863 4.374 20 10 EICDRO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Cl)ccc1O ZINC000775499381 1051626763 /nfs/dbraw/zinc/62/67/63/1051626763.db2.gz RSWDPLYHCHYOSY-GFCCVEGCSA-N 1 0 347.768 4.045 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Cl)ccc1O ZINC000775499234 1051628996 /nfs/dbraw/zinc/62/89/96/1051628996.db2.gz PWMYZQMRFQKCCY-SFHVURJKSA-N 1 0 346.858 4.287 20 10 EICDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001182764272 1051691360 /nfs/dbraw/zinc/69/13/60/1051691360.db2.gz MIUVTLLGACAAIM-SFHVURJKSA-N 1 0 329.415 4.137 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000775526346 1051718443 /nfs/dbraw/zinc/71/84/43/1051718443.db2.gz QWOBOUXHOMPXAK-YJBOKZPZSA-N 1 0 343.467 4.329 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000775526343 1051718979 /nfs/dbraw/zinc/71/89/79/1051718979.db2.gz QWOBOUXHOMPXAK-CRAIPNDOSA-N 1 0 343.467 4.329 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccccc1O ZINC000775527985 1051719543 /nfs/dbraw/zinc/71/95/43/1051719543.db2.gz WZAOVJXNEHWZPG-GEWABHDNSA-N 1 0 337.822 4.348 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCc3cccc(C)c3)C2)cc1 ZINC001182854031 1051723336 /nfs/dbraw/zinc/72/33/36/1051723336.db2.gz FFKHUNBOFQNKNV-QUCCMNQESA-N 1 0 338.495 4.193 20 10 EICDRO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775531594 1051748382 /nfs/dbraw/zinc/74/83/82/1051748382.db2.gz IHRBATRLFJZSMN-AWEZNQCLSA-N 1 0 329.271 4.002 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000775551016 1051819614 /nfs/dbraw/zinc/81/96/14/1051819614.db2.gz GDCFYQRLYBFBOR-WMZOPIPTSA-N 1 0 333.859 4.080 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1O ZINC001183355947 1051828407 /nfs/dbraw/zinc/82/84/07/1051828407.db2.gz ZGDPWBAIYBBYJK-OAGGEKHMSA-N 1 0 348.487 4.078 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1O ZINC001183355945 1051828588 /nfs/dbraw/zinc/82/85/88/1051828588.db2.gz ZGDPWBAIYBBYJK-ARFHVFGLSA-N 1 0 348.487 4.078 20 10 EICDRO Oc1cc(Cl)ccc1C[NH2+]CCc1sccc1Br ZINC001183527283 1051853839 /nfs/dbraw/zinc/85/38/39/1051853839.db2.gz UAUIPFCAFBOBPA-UHFFFAOYSA-N 1 0 346.677 4.202 20 10 EICDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001183822751 1051909707 /nfs/dbraw/zinc/90/97/07/1051909707.db2.gz LVWJXSDCGWVJSC-DPDLHNOKSA-N 1 0 337.463 4.353 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CC2CCC1CC2 ZINC001184217569 1051968737 /nfs/dbraw/zinc/96/87/37/1051968737.db2.gz GUUAVOJRUGTKKJ-MPTXHWKKSA-N 1 0 343.559 4.160 20 10 EICDRO CCCC[N@H+](Cc1ccccc1O)C[Si](C)(C)c1ccccc1 ZINC001193839497 1051995905 /nfs/dbraw/zinc/99/59/05/1051995905.db2.gz SQTZMUAHEBGFBZ-UHFFFAOYSA-N 1 0 327.544 4.149 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(Br)ccc1F)CC2 ZINC000295906247 1052082574 /nfs/dbraw/zinc/08/25/74/1052082574.db2.gz IWRGSGYRDJMPEL-AWEZNQCLSA-N 1 0 336.204 4.071 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000184857039 1052266008 /nfs/dbraw/zinc/26/60/08/1052266008.db2.gz COAWETYSVYZKDC-AEFFLSMTSA-N 1 0 328.456 4.171 20 10 EICDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184896600 1052296260 /nfs/dbraw/zinc/29/62/60/1052296260.db2.gz RNJFXPJVFXGCOR-RNODOKPDSA-N 1 0 345.414 4.350 20 10 EICDRO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919930 1052309378 /nfs/dbraw/zinc/30/93/78/1052309378.db2.gz JPUXBIQFNPVLSP-DNVCBOLYSA-N 1 0 328.431 4.019 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3CCC[C@@H]2C)cc1OC ZINC000184954638 1052325113 /nfs/dbraw/zinc/32/51/13/1052325113.db2.gz PJMQMOJWJGPQJY-LHSJRXKWSA-N 1 0 341.451 4.213 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cc(F)ccc1O ZINC000185047788 1052378026 /nfs/dbraw/zinc/37/80/26/1052378026.db2.gz FQLVEHWSVJEVOE-HNNXBMFYSA-N 1 0 343.446 4.013 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185045222 1052378385 /nfs/dbraw/zinc/37/83/85/1052378385.db2.gz CALNBDUZBYPUBN-HNNXBMFYSA-N 1 0 326.440 4.290 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)c1ccc2c(c1)OCCO2 ZINC000185107009 1052434392 /nfs/dbraw/zinc/43/43/92/1052434392.db2.gz WYLZOJCXFGKDCZ-YOEHRIQHSA-N 1 0 327.424 4.274 20 10 EICDRO CCC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1cccnc1 ZINC000185311766 1052577002 /nfs/dbraw/zinc/57/70/02/1052577002.db2.gz MMIFMSZIWNLAGV-NRFANRHFSA-N 1 0 339.483 4.190 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000185413211 1052597856 /nfs/dbraw/zinc/59/78/56/1052597856.db2.gz QSNAMHIMUWYWLG-AWEZNQCLSA-N 1 0 329.465 4.376 20 10 EICDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185525845 1052628006 /nfs/dbraw/zinc/62/80/06/1052628006.db2.gz SLSAWULEXPYQQJ-OXJNMPFZSA-N 1 0 339.479 4.088 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)ccc1O ZINC000185721727 1052685662 /nfs/dbraw/zinc/68/56/62/1052685662.db2.gz VMPZDBZBJWEGEC-BDJLRTHQSA-N 1 0 331.412 4.130 20 10 EICDRO CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1O ZINC000186106102 1052880917 /nfs/dbraw/zinc/88/09/17/1052880917.db2.gz OFPWXFGZDYSOPB-NRFANRHFSA-N 1 0 338.495 4.140 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1O ZINC000325250798 1053036313 /nfs/dbraw/zinc/03/63/13/1053036313.db2.gz VDOUIIOBFPJZEF-DNVCBOLYSA-N 1 0 328.431 4.019 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc([C@@H](C)O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850072921 1053068394 /nfs/dbraw/zinc/06/83/94/1053068394.db2.gz QNPADSMTXZKKMY-CQSZACIVSA-N 1 0 343.467 4.041 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000850137244 1053077812 /nfs/dbraw/zinc/07/78/12/1053077812.db2.gz MBFORCAHBQASSQ-UHFFFAOYSA-N 1 0 338.373 4.091 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc3c(c2)COC3)c(O)c(C(C)(C)C)c1 ZINC000850200300 1053083780 /nfs/dbraw/zinc/08/37/80/1053083780.db2.gz USBVAOGIVHVVRH-UHFFFAOYSA-N 1 0 341.451 4.018 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(N(C)C)cc1 ZINC000850251712 1053097139 /nfs/dbraw/zinc/09/71/39/1053097139.db2.gz DBBQMKXMQHVHAZ-AWEZNQCLSA-N 1 0 328.431 4.284 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)cc1 ZINC001194764542 1053099563 /nfs/dbraw/zinc/09/95/63/1053099563.db2.gz MHHJYOQGHOKNKW-OALUTQOASA-N 1 0 340.511 4.129 20 10 EICDRO COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000850252951 1053099748 /nfs/dbraw/zinc/09/97/48/1053099748.db2.gz YOWKECBWHDNHLA-DLBZAZTESA-N 1 0 342.483 4.017 20 10 EICDRO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000850252955 1053100317 /nfs/dbraw/zinc/10/03/17/1053100317.db2.gz YOWKECBWHDNHLA-IRXDYDNUSA-N 1 0 342.483 4.017 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764528177 1053159558 /nfs/dbraw/zinc/15/95/58/1053159558.db2.gz OKXKBEVRMQMKAC-WOJBJXKFSA-N 1 0 341.499 4.223 20 10 EICDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406602 1053173730 /nfs/dbraw/zinc/17/37/30/1053173730.db2.gz MYCIIFOEWPYPGT-SFHVURJKSA-N 1 0 330.516 4.096 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N(C)C)cc1 ZINC000764574430 1053197909 /nfs/dbraw/zinc/19/79/09/1053197909.db2.gz RRUIWXUGTCIKPQ-ZWKOTPCHSA-N 1 0 331.529 4.158 20 10 EICDRO CO[C@]1(C)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000794654902 1053250704 /nfs/dbraw/zinc/25/07/04/1053250704.db2.gz JMZSDWHOQPOQLM-HXUWFJFHSA-N 1 0 325.408 4.293 20 10 EICDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(Br)cc1O ZINC000850482559 1053252662 /nfs/dbraw/zinc/25/26/62/1053252662.db2.gz PMCUCKKSHZETMG-NWDGAFQWSA-N 1 0 335.245 4.004 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000850488661 1053255526 /nfs/dbraw/zinc/25/55/26/1053255526.db2.gz OJWPQTRGLGKGAS-HNAYVOBHSA-N 1 0 340.492 4.101 20 10 EICDRO CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000764667588 1053259387 /nfs/dbraw/zinc/25/93/87/1053259387.db2.gz QCPULIPXNSGIRQ-IBGZPJMESA-N 1 0 336.483 4.152 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850515008 1053273844 /nfs/dbraw/zinc/27/38/44/1053273844.db2.gz TUWYZCCWJUYRPC-KKSFZXQISA-N 1 0 342.483 4.190 20 10 EICDRO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515282 1053275116 /nfs/dbraw/zinc/27/51/16/1053275116.db2.gz VKHMTQJIIPLIIS-SFTDATJTSA-N 1 0 342.483 4.190 20 10 EICDRO COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1cccc(OC)c1 ZINC000850514198 1053275197 /nfs/dbraw/zinc/27/51/97/1053275197.db2.gz LJWVANSQHQVQII-ZLIFDBKOSA-N 1 0 345.414 4.066 20 10 EICDRO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000850522564 1053282751 /nfs/dbraw/zinc/28/27/51/1053282751.db2.gz UZGMWXFGTWOYEK-QGZVFWFLSA-N 1 0 342.458 4.130 20 10 EICDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850526216 1053285151 /nfs/dbraw/zinc/28/51/51/1053285151.db2.gz UFSAXFSASRZVKI-PKOBYXMFSA-N 1 0 328.500 4.429 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C)cc1O ZINC000850557347 1053313466 /nfs/dbraw/zinc/31/34/66/1053313466.db2.gz WPWAURKMGFUKBW-TYPHKJRUSA-N 1 0 327.468 4.500 20 10 EICDRO CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805582 1053316388 /nfs/dbraw/zinc/31/63/88/1053316388.db2.gz GHVCYWGTNSGTHA-KRWDZBQOSA-N 1 0 335.511 4.197 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(C)cc1 ZINC000850567291 1053319112 /nfs/dbraw/zinc/31/91/12/1053319112.db2.gz YTIAMYAVGVAZIW-QFIPXVFZSA-N 1 0 338.495 4.197 20 10 EICDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565944 1053319683 /nfs/dbraw/zinc/31/96/83/1053319683.db2.gz JTKBBTQBRVRBSB-NQIIRXRSSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000850571625 1053327744 /nfs/dbraw/zinc/32/77/44/1053327744.db2.gz SIAUTGSCZXCWBR-RDJZCZTQSA-N 1 0 334.479 4.282 20 10 EICDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CC(C)(C)C2)c1O ZINC000850575591 1053328678 /nfs/dbraw/zinc/32/86/78/1053328678.db2.gz ADUJAJAETZGLNI-VIFPVBQESA-N 1 0 328.250 4.003 20 10 EICDRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850723149 1053344566 /nfs/dbraw/zinc/34/45/66/1053344566.db2.gz ZXZZTIVOJZXMEA-UHFFFAOYSA-N 1 0 325.416 4.303 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)c(OC)c1 ZINC000775647690 1053367457 /nfs/dbraw/zinc/36/74/57/1053367457.db2.gz ZCXQAKFWBQFXNY-SFHVURJKSA-N 1 0 327.424 4.055 20 10 EICDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000775653985 1053386008 /nfs/dbraw/zinc/38/60/08/1053386008.db2.gz QCJPFTPDSASGMK-KRWDZBQOSA-N 1 0 329.440 4.383 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000794802847 1053387427 /nfs/dbraw/zinc/38/74/27/1053387427.db2.gz GUTMCBRZSJTEOP-HXUWFJFHSA-N 1 0 335.451 4.170 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(C)cc1O ZINC000794804964 1053391319 /nfs/dbraw/zinc/39/13/19/1053391319.db2.gz OKCRUJWUEQDBAN-SFHVURJKSA-N 1 0 326.440 4.125 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccc(C)cc1O ZINC000794804515 1053395664 /nfs/dbraw/zinc/39/56/64/1053395664.db2.gz NKGQOJPLLISHPC-GOSISDBHSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1O ZINC000794803658 1053398731 /nfs/dbraw/zinc/39/87/31/1053398731.db2.gz RFGIVNIRWWDCPX-PZJWPPBQSA-N 1 0 343.467 4.262 20 10 EICDRO CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805668 1053408421 /nfs/dbraw/zinc/40/84/21/1053408421.db2.gz YKBSQEXBELIKPA-VQTJNVASSA-N 1 0 349.478 4.459 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794807818 1053414920 /nfs/dbraw/zinc/41/49/20/1053414920.db2.gz LVSPPRYKRQFTAM-CRAIPNDOSA-N 1 0 343.467 4.390 20 10 EICDRO CC[C@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1O ZINC000794811411 1053416408 /nfs/dbraw/zinc/41/64/08/1053416408.db2.gz QZASKXFBCOGZEV-RBUKOAKNSA-N 1 0 341.451 4.436 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1O ZINC000794807804 1053416503 /nfs/dbraw/zinc/41/65/03/1053416503.db2.gz LSZIZVQMCRHNPB-ZWKOTPCHSA-N 1 0 348.437 4.322 20 10 EICDRO CC[C@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C)cc1O ZINC000794813533 1053420436 /nfs/dbraw/zinc/42/04/36/1053420436.db2.gz AGKLSZFCNPESMZ-KRWDZBQOSA-N 1 0 338.451 4.474 20 10 EICDRO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1O ZINC000109769996 1053422441 /nfs/dbraw/zinc/42/24/41/1053422441.db2.gz UQTRWLCTTXLFGJ-UHFFFAOYSA-N 1 0 346.430 4.277 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794814635 1053423698 /nfs/dbraw/zinc/42/36/98/1053423698.db2.gz HGDVVMLMJCXZMV-DLBZAZTESA-N 1 0 348.487 4.045 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C)cc1O ZINC000794811937 1053428363 /nfs/dbraw/zinc/42/83/63/1053428363.db2.gz ALKXUCJUYCKQTC-PBEJRMEISA-N 1 0 326.484 4.433 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000765049706 1053430296 /nfs/dbraw/zinc/43/02/96/1053430296.db2.gz RHOAMDUSMWBOJS-MRXNPFEDSA-N 1 0 339.483 4.342 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1O ZINC000794828980 1053439245 /nfs/dbraw/zinc/43/92/45/1053439245.db2.gz QCOSDNPEYOAHEQ-SJLPKXTDSA-N 1 0 337.822 4.267 20 10 EICDRO Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1O ZINC000775665909 1053441301 /nfs/dbraw/zinc/44/13/01/1053441301.db2.gz NKYPFFMWLPFECP-IBGZPJMESA-N 1 0 329.415 4.021 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000775667496 1053456576 /nfs/dbraw/zinc/45/65/76/1053456576.db2.gz JTCWKSFRBAHWHI-DYESRHJHSA-N 1 0 341.451 4.001 20 10 EICDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000794835255 1053472836 /nfs/dbraw/zinc/47/28/36/1053472836.db2.gz PGEUNABHAGXXEX-CRAIPNDOSA-N 1 0 334.479 4.018 20 10 EICDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000794835272 1053473679 /nfs/dbraw/zinc/47/36/79/1053473679.db2.gz PGEUNABHAGXXEX-YJBOKZPZSA-N 1 0 334.479 4.018 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000794835265 1053474057 /nfs/dbraw/zinc/47/40/57/1053474057.db2.gz PGEUNABHAGXXEX-QAPCUYQASA-N 1 0 334.479 4.018 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1 ZINC000765250417 1053476483 /nfs/dbraw/zinc/47/64/83/1053476483.db2.gz LZYUACAXCXZFHJ-LPHOPBHVSA-N 1 0 328.504 4.105 20 10 EICDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862481 1053510387 /nfs/dbraw/zinc/51/03/87/1053510387.db2.gz MCNAKODYHJMAGU-PMACEKPBSA-N 1 0 330.516 4.375 20 10 EICDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000765361878 1053516129 /nfs/dbraw/zinc/51/61/29/1053516129.db2.gz ZNYDSQMTRPDKBW-MRXNPFEDSA-N 1 0 342.458 4.196 20 10 EICDRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765371122 1053519101 /nfs/dbraw/zinc/51/91/01/1053519101.db2.gz NWQRJWUYILROJB-AWEZNQCLSA-N 1 0 345.874 4.004 20 10 EICDRO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000765395345 1053529782 /nfs/dbraw/zinc/52/97/82/1053529782.db2.gz HICWQGMMZGVLSV-GOSISDBHSA-N 1 0 348.494 4.377 20 10 EICDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435042 1053545752 /nfs/dbraw/zinc/54/57/52/1053545752.db2.gz AHXIEDFTBDOQQG-ONGXBYRLSA-N 1 0 342.458 4.463 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)C1CCOCC1 ZINC000765445191 1053547464 /nfs/dbraw/zinc/54/74/64/1053547464.db2.gz MBVWABRPGNJHTM-QGZVFWFLSA-N 1 0 330.516 4.360 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000765443132 1053552494 /nfs/dbraw/zinc/55/24/94/1053552494.db2.gz ZVCFECRKMKLCSD-UWJYYQICSA-N 1 0 325.500 4.015 20 10 EICDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765476585 1053562387 /nfs/dbraw/zinc/56/23/87/1053562387.db2.gz XYQCXXSBGQPGHG-GOSISDBHSA-N 1 0 328.431 4.204 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 ZINC000765479054 1053562956 /nfs/dbraw/zinc/56/29/56/1053562956.db2.gz HRJIUQMUAIEARR-HXUWFJFHSA-N 1 0 336.479 4.245 20 10 EICDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCC2 ZINC000765482930 1053568564 /nfs/dbraw/zinc/56/85/64/1053568564.db2.gz WNOLNJCGTRLMEO-OAQYLSRUSA-N 1 0 336.479 4.245 20 10 EICDRO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)Cc1ccccc1O ZINC000171926002 1053585253 /nfs/dbraw/zinc/58/52/53/1053585253.db2.gz VYDOGCXRVOPHBU-LBPRGKRZSA-N 1 0 331.366 4.330 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)c1 ZINC000865759450 1053585293 /nfs/dbraw/zinc/58/52/93/1053585293.db2.gz WJMYXSOYCNATBJ-KRWDZBQOSA-N 1 0 345.439 4.049 20 10 EICDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000765510267 1053594627 /nfs/dbraw/zinc/59/46/27/1053594627.db2.gz SEGZASRUBUIGND-CQSZACIVSA-N 1 0 325.431 4.266 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2O ZINC000853239987 1053655651 /nfs/dbraw/zinc/65/56/51/1053655651.db2.gz FDDRXGIEXVMCBE-TVQRCGJNSA-N 1 0 340.320 4.283 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242354 1053657486 /nfs/dbraw/zinc/65/74/86/1053657486.db2.gz PMUKZNYNYWAPIT-QAPCUYQASA-N 1 0 333.435 4.224 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240515 1053658271 /nfs/dbraw/zinc/65/82/71/1053658271.db2.gz HNPRCAABKFDQTD-CRAIPNDOSA-N 1 0 333.435 4.224 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccc(C)c(C)c2)C2CC2)cc1OC ZINC000775715986 1053669884 /nfs/dbraw/zinc/66/98/84/1053669884.db2.gz NTHMBLZJBGDDDH-UHFFFAOYSA-N 1 0 341.451 4.191 20 10 EICDRO CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765578259 1053729902 /nfs/dbraw/zinc/72/99/02/1053729902.db2.gz VDYDLEVJBFGLSQ-QFIPXVFZSA-N 1 0 348.494 4.222 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc2ccccc2c1O ZINC000866530232 1053770826 /nfs/dbraw/zinc/77/08/26/1053770826.db2.gz ZGOJBYYTMCVXOD-NVXWUHKLSA-N 1 0 325.452 4.403 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C(F)(F)F)cc1O ZINC000866633132 1053811495 /nfs/dbraw/zinc/81/14/95/1053811495.db2.gz FZHBPEXRGGBCQH-UONOGXRCSA-N 1 0 339.361 4.183 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633356 1053812725 /nfs/dbraw/zinc/81/27/25/1053812725.db2.gz UFQUTADXFICDCB-CRAIPNDOSA-N 1 0 342.462 4.198 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4C[C@H]3C)CC2)cc1 ZINC000765637828 1053829001 /nfs/dbraw/zinc/82/90/01/1053829001.db2.gz HXAVUVMKHNDJGB-OPAMFIHVSA-N 1 0 336.479 4.187 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536834 1053837265 /nfs/dbraw/zinc/83/72/65/1053837265.db2.gz MWKYGIGVLJBVAG-HZPDHXFCSA-N 1 0 328.431 4.074 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000112536833 1053837327 /nfs/dbraw/zinc/83/73/27/1053837327.db2.gz MWKYGIGVLJBVAG-JKSUJKDBSA-N 1 0 328.431 4.074 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1O ZINC000776808221 1053907097 /nfs/dbraw/zinc/90/70/97/1053907097.db2.gz MFGUELGWHOWEEI-LBPRGKRZSA-N 1 0 328.437 4.251 20 10 EICDRO CCOc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c(O)c1 ZINC000776817919 1053945507 /nfs/dbraw/zinc/94/55/07/1053945507.db2.gz ZLEKMZOUQRYVNV-MRXNPFEDSA-N 1 0 339.357 4.227 20 10 EICDRO COc1cc2c(NCc3ccc(N(C)C)cc3)cc[nH+]c2cc1F ZINC000795067876 1053979797 /nfs/dbraw/zinc/97/97/97/1053979797.db2.gz MVBWWBOCECOZHF-UHFFFAOYSA-N 1 0 325.387 4.061 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122727109 1054028199 /nfs/dbraw/zinc/02/81/99/1054028199.db2.gz BMUJOXRTYRCZDG-HNNXBMFYSA-N 1 0 327.428 4.128 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc2ccccc2c1O ZINC000186165746 1054063283 /nfs/dbraw/zinc/06/32/83/1054063283.db2.gz VDRDBANWQXVJMQ-NYHFZMIOSA-N 1 0 333.431 4.030 20 10 EICDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000775837862 1054118235 /nfs/dbraw/zinc/11/82/35/1054118235.db2.gz UWIUTOYKMGYYHS-AWEZNQCLSA-N 1 0 345.874 4.004 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775835686 1054118521 /nfs/dbraw/zinc/11/85/21/1054118521.db2.gz WAMJIHNNYIVMAP-GFCCVEGCSA-N 1 0 333.819 4.165 20 10 EICDRO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833906 1054122287 /nfs/dbraw/zinc/12/22/87/1054122287.db2.gz HGGYZTGULBVRIC-ZDUSSCGKSA-N 1 0 344.409 4.348 20 10 EICDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000123515805 1054161194 /nfs/dbraw/zinc/16/11/94/1054161194.db2.gz MLDUMHAUMXFVMX-SFHVURJKSA-N 1 0 348.494 4.406 20 10 EICDRO CCC(CC)[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001199144941 1054350668 /nfs/dbraw/zinc/35/06/68/1054350668.db2.gz ZQLSKGYJFKZGAC-DYYZXQNHSA-N 1 0 343.559 4.256 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)c1 ZINC000115618530 1054365329 /nfs/dbraw/zinc/36/53/29/1054365329.db2.gz DLYPHYMDQMJKJZ-UHFFFAOYSA-N 1 0 341.382 4.398 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000115629177 1054366676 /nfs/dbraw/zinc/36/66/76/1054366676.db2.gz CMOLFMDXMILQTO-UHFFFAOYSA-N 1 0 342.483 4.148 20 10 EICDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000872113735 1054394580 /nfs/dbraw/zinc/39/45/80/1054394580.db2.gz RXWBVUZPYGDGRF-MJGOQNOKSA-N 1 0 344.499 4.061 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000872131190 1054406559 /nfs/dbraw/zinc/40/65/59/1054406559.db2.gz XINWHILDBLPXIT-ZJUUUORDSA-N 1 0 328.309 4.357 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000858129309 1054419901 /nfs/dbraw/zinc/41/99/01/1054419901.db2.gz IIZVOBPPKVTMKG-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)CC1 ZINC000858132107 1054421163 /nfs/dbraw/zinc/42/11/63/1054421163.db2.gz SAWRWAVYHCLFHP-UHFFFAOYSA-N 1 0 334.467 4.089 20 10 EICDRO Cc1cc(NCc2c(O)cccc2Br)ccc1C[NH+](C)C ZINC000858177422 1054431957 /nfs/dbraw/zinc/43/19/57/1054431957.db2.gz KWFGLTKNDIFBEM-UHFFFAOYSA-N 1 0 349.272 4.137 20 10 EICDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000858196395 1054437030 /nfs/dbraw/zinc/43/70/30/1054437030.db2.gz NRPUMKXYWSPLRD-UHFFFAOYSA-N 1 0 340.183 4.223 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014379 1054439916 /nfs/dbraw/zinc/43/99/16/1054439916.db2.gz PGLMBFNOZPNFOV-LJQANCHMSA-N 1 0 329.827 4.067 20 10 EICDRO CN(C)c1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)cc1 ZINC000858217460 1054441276 /nfs/dbraw/zinc/44/12/76/1054441276.db2.gz WMDJTTNHMNYPCL-UHFFFAOYSA-N 1 0 325.481 4.387 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000858237815 1054443230 /nfs/dbraw/zinc/44/32/30/1054443230.db2.gz DKWGHDHQAWOWAU-QGZVFWFLSA-N 1 0 347.256 4.181 20 10 EICDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000124084305 1054444399 /nfs/dbraw/zinc/44/43/99/1054444399.db2.gz VSIQLWMPTLXWOM-GOSISDBHSA-N 1 0 338.495 4.327 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)c(F)cc2Br)c1 ZINC000858239107 1054445515 /nfs/dbraw/zinc/44/55/15/1054445515.db2.gz JGPZFJJJMAFQMP-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO COc1cccc(O)c1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000776015726 1054449159 /nfs/dbraw/zinc/44/91/59/1054449159.db2.gz NTULYKWCKGTLAU-UHFFFAOYSA-N 1 0 349.430 4.270 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1O ZINC000124230555 1054459571 /nfs/dbraw/zinc/45/95/71/1054459571.db2.gz WYDUBWHVEQXYJA-SFHVURJKSA-N 1 0 327.424 4.137 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000873098383 1054487146 /nfs/dbraw/zinc/48/71/46/1054487146.db2.gz PIUKYNYFWJCDAL-UPCLLVRISA-N 1 0 345.508 4.372 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000858425007 1054487483 /nfs/dbraw/zinc/48/74/83/1054487483.db2.gz AWAVCKLBQXIHJW-WMLDXEAASA-N 1 0 329.513 4.116 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000121551383 1054488920 /nfs/dbraw/zinc/48/89/20/1054488920.db2.gz NJXYZOZOYAHZQU-ZNLUXHQJSA-N 1 0 340.511 4.348 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000858591493 1054529925 /nfs/dbraw/zinc/52/99/25/1054529925.db2.gz UEOLHGGOYQRUEI-GFCCVEGCSA-N 1 0 339.357 4.356 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(OC(C)C)c1 ZINC001201017780 1054608892 /nfs/dbraw/zinc/60/88/92/1054608892.db2.gz UHSKQXQFCMVSKC-UHFFFAOYSA-N 1 0 325.452 4.397 20 10 EICDRO Cc1cc(O)c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cc1Cl ZINC000825732104 1054661407 /nfs/dbraw/zinc/66/14/07/1054661407.db2.gz OKYHMEWQZQTPDR-QGZVFWFLSA-N 1 0 346.858 4.351 20 10 EICDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000776163112 1054776661 /nfs/dbraw/zinc/77/66/61/1054776661.db2.gz DJSVOTYVNPJXEE-UHFFFAOYSA-N 1 0 339.357 4.445 20 10 EICDRO COc1cccc(C(C)(C)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC001201616891 1054865446 /nfs/dbraw/zinc/86/54/46/1054865446.db2.gz CMAJNTOKZSJFTD-UHFFFAOYSA-N 1 0 333.859 4.430 20 10 EICDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@H]1OC ZINC001201618788 1054866632 /nfs/dbraw/zinc/86/66/32/1054866632.db2.gz VPZYARLLHLCQIL-WOJBJXKFSA-N 1 0 330.516 4.360 20 10 EICDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001201953981 1054965148 /nfs/dbraw/zinc/96/51/48/1054965148.db2.gz CMFGJIMLEIDOQF-DNVCBOLYSA-N 1 0 330.497 4.042 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)c(O)c1 ZINC000876921814 1054984013 /nfs/dbraw/zinc/98/40/13/1054984013.db2.gz SRISCDRQZFXWNW-UHFFFAOYSA-N 1 0 339.357 4.069 20 10 EICDRO Cc1cc(O)c(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc1Cl ZINC000825935418 1055021741 /nfs/dbraw/zinc/02/17/41/1055021741.db2.gz SPQPTXVHPLOHHI-UHFFFAOYSA-N 1 0 348.874 4.043 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)CC1 ZINC000862277083 1055043845 /nfs/dbraw/zinc/04/38/45/1055043845.db2.gz NUVSFPUDTNQVOI-UHFFFAOYSA-N 1 0 346.478 4.156 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(N(C)C)cc1 ZINC000877418812 1055048044 /nfs/dbraw/zinc/04/80/44/1055048044.db2.gz HJKFZGUODGVNNK-CYBMUJFWSA-N 1 0 341.405 4.430 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000862476080 1055073383 /nfs/dbraw/zinc/07/33/83/1055073383.db2.gz HNSQWKXTYRAAOY-CQSZACIVSA-N 1 0 346.858 4.169 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1C ZINC001202204137 1055083155 /nfs/dbraw/zinc/08/31/55/1055083155.db2.gz QXZPMYWHZCIJFI-LJQANCHMSA-N 1 0 325.452 4.137 20 10 EICDRO COc1cc(Cl)c(C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000877612771 1055092020 /nfs/dbraw/zinc/09/20/20/1055092020.db2.gz OBFGFCQAJHRWQY-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO C[C@H]([NH2+]Cc1c(Cl)cccc1N1CCCC1)c1ccccc1O ZINC000877757417 1055114765 /nfs/dbraw/zinc/11/47/65/1055114765.db2.gz ZRAIMIGFTCOKFK-AWEZNQCLSA-N 1 0 330.859 4.497 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(Br)c1 ZINC000877758367 1055116912 /nfs/dbraw/zinc/11/69/12/1055116912.db2.gz WKBBXOCSLHNYJA-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1cc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)ncn1 ZINC000794452277 1055123652 /nfs/dbraw/zinc/12/36/52/1055123652.db2.gz ANZRHEWKIILBBB-KRWDZBQOSA-N 1 0 333.435 4.254 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000826016443 1055189818 /nfs/dbraw/zinc/18/98/18/1055189818.db2.gz JBTBVTMMKWOFLM-UHFFFAOYSA-N 1 0 345.748 4.384 20 10 EICDRO Oc1ccccc1C[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001203556569 1055199361 /nfs/dbraw/zinc/19/93/61/1055199361.db2.gz UMAOEUNJCTWKTK-AWEZNQCLSA-N 1 0 332.241 4.144 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)c(O)c(C(C)(C)C)c1 ZINC000850010390 1055322039 /nfs/dbraw/zinc/32/20/39/1055322039.db2.gz ATDIEOZKRYNTRO-UHFFFAOYSA-N 1 0 342.483 4.054 20 10 EICDRO Cc1ccc(O)c([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000186342886 1055370949 /nfs/dbraw/zinc/37/09/49/1055370949.db2.gz TYDURJQILOAWGR-MRXNPFEDSA-N 1 0 342.508 4.423 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2O ZINC000765819720 1055643991 /nfs/dbraw/zinc/64/39/91/1055643991.db2.gz WNNGFLAMBKPJJP-VWCVUJCZSA-N 1 0 349.833 4.230 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000765873537 1056039151 /nfs/dbraw/zinc/03/91/51/1056039151.db2.gz MMSDDUCNGUUXJQ-NRFANRHFSA-N 1 0 330.516 4.218 20 10 EICDRO C[C@H]([NH2+]CCCSc1nccs1)c1nc2c(s1)CCCC2 ZINC000091726498 1056751406 /nfs/dbraw/zinc/75/14/06/1056751406.db2.gz JQVDQRZNFMQDOU-NSHDSACASA-N 1 0 339.555 4.311 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000742163581 1058527050 /nfs/dbraw/zinc/52/70/50/1058527050.db2.gz SPBGYVWAMGTCQY-QFIPXVFZSA-N 1 0 333.431 4.427 20 10 EICDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000742387065 1058587734 /nfs/dbraw/zinc/58/77/34/1058587734.db2.gz DBRRHCSMSUCTKU-MRXNPFEDSA-N 1 0 326.223 4.176 20 10 EICDRO Cc1cccc2c(CC[NH2+]Cc3ccc(N(C)C)c(F)c3)c[nH]c21 ZINC000742373606 1058598378 /nfs/dbraw/zinc/59/83/78/1058598378.db2.gz PBUWFHYZMGELAZ-UHFFFAOYSA-N 1 0 325.431 4.014 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C)[C@H]1CCOC1 ZINC000742379922 1058604780 /nfs/dbraw/zinc/60/47/80/1058604780.db2.gz GEZKXSCLDGNFFQ-GHTZIAJQSA-N 1 0 326.484 4.307 20 10 EICDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1cccc(Cl)c1 ZINC000742380160 1058605097 /nfs/dbraw/zinc/60/50/97/1058605097.db2.gz LPIZGWUJXZDXIA-NSHDSACASA-N 1 0 326.223 4.256 20 10 EICDRO COc1ccc2ccc(O)c(C[N@H+](C)CCc3cccs3)c2c1 ZINC000743382762 1058962962 /nfs/dbraw/zinc/96/29/62/1058962962.db2.gz SYRSCWKTGSEVQX-UHFFFAOYSA-N 1 0 327.449 4.290 20 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/nfs/dbraw/zinc/94/27/10/1060942710.db2.gz KKGNFPVRBSPJBY-UHFFFAOYSA-N 1 0 346.515 4.174 20 10 EICDRO CC[C@@H]([NH2+]CCCOC(C)C)c1cc(Br)ccc1O ZINC000020198119 212110807 /nfs/dbraw/zinc/11/08/07/212110807.db2.gz TYYGAJKAXRYKLW-CQSZACIVSA-N 1 0 330.266 4.011 20 10 EICDRO Cn1ccnc1-c1cccc(C[NH2+]Cc2c(O)ccc3ccccc32)c1 ZINC000360056470 1032238022 /nfs/dbraw/zinc/23/80/22/1032238022.db2.gz IWIXBJYLZKLAFP-UHFFFAOYSA-N 1 0 343.430 4.236 20 10 EICDRO COCCOCc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841752832 1032354417 /nfs/dbraw/zinc/35/44/17/1032354417.db2.gz CLPHIKQHWHVJRP-CQSZACIVSA-N 1 0 349.858 4.059 20 10 EICDRO Oc1ccc(F)cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000179884942 1032576536 /nfs/dbraw/zinc/57/65/36/1032576536.db2.gz IKBJCPMQPGUKOF-UHFFFAOYSA-N 1 0 326.371 4.052 20 10 EICDRO Cc1[nH]c2ccc(Nc3ccccc3C(=O)c3ccncc3)cc2[nH+]1 ZINC001213077416 1032776943 /nfs/dbraw/zinc/77/69/43/1032776943.db2.gz WJHPPMQSZUUOOH-UHFFFAOYSA-N 1 0 328.375 4.241 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2O)ccc1OCC(C)C ZINC000237279332 1032855190 /nfs/dbraw/zinc/85/51/90/1032855190.db2.gz DRMOXTOGBQINKL-HNNXBMFYSA-N 1 0 329.440 4.286 20 10 EICDRO COc1ccc(N2CCC[N@H+](CCCCc3ccccc3)CC2)cc1 ZINC001167107670 1020184531 /nfs/dbraw/zinc/18/45/31/1020184531.db2.gz FZSBDRNHRGUJFZ-UHFFFAOYSA-N 1 0 338.495 4.230 20 10 EICDRO Cc1cc(F)ccc1[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001167108797 1020186230 /nfs/dbraw/zinc/18/62/30/1020186230.db2.gz UUWYIISIPBSHJV-NRFANRHFSA-N 1 0 344.474 4.144 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3C3CC3)CC2)cc1 ZINC001167109007 1020187429 /nfs/dbraw/zinc/18/74/29/1020187429.db2.gz XBPTVBBSLMNPDU-UHFFFAOYSA-N 1 0 336.479 4.285 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1cc(Br)ccc1O ZINC000300419584 1020198147 /nfs/dbraw/zinc/19/81/47/1020198147.db2.gz JCFHDMDBLLZDCD-OBJOEFQTSA-N 1 0 344.318 4.480 20 10 EICDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000155194644 1020336920 /nfs/dbraw/zinc/33/69/20/1020336920.db2.gz YCYYUSJREFYLOG-BEFAXECRSA-N 1 0 340.467 4.161 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ccccc1Br ZINC000042419181 1020362828 /nfs/dbraw/zinc/36/28/28/1020362828.db2.gz GBVRLYYIWWBPSG-UHFFFAOYSA-N 1 0 326.621 4.098 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1O ZINC000155304522 1020459408 /nfs/dbraw/zinc/45/94/08/1020459408.db2.gz FNKHJMJYBFFMMO-GOSISDBHSA-N 1 0 339.414 4.266 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000155333818 1020498718 /nfs/dbraw/zinc/49/87/18/1020498718.db2.gz OTPGFCZZXGXNPT-BEFAXECRSA-N 1 0 342.508 4.313 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000177805932 1021711747 /nfs/dbraw/zinc/71/17/47/1021711747.db2.gz VITZJHQPXSBALO-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3ccccc3Br)ccc21 ZINC000050266795 1022130442 /nfs/dbraw/zinc/13/04/42/1022130442.db2.gz QIOOEIPTKFLTKN-UHFFFAOYSA-N 1 0 345.284 4.121 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000398117245 1022245805 /nfs/dbraw/zinc/24/58/05/1022245805.db2.gz GCTAKTNIMYXVDG-BBTUJRGHSA-N 1 0 337.511 4.066 20 10 EICDRO Oc1ccc(F)cc1C[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000378130637 1022408930 /nfs/dbraw/zinc/40/89/30/1022408930.db2.gz UGYYYSXVKLUILT-UHFFFAOYSA-N 1 0 332.375 4.084 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1O ZINC000179994336 1022412804 /nfs/dbraw/zinc/41/28/04/1022412804.db2.gz DPVOHNLBVQUGAW-UHFFFAOYSA-N 1 0 349.352 4.181 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000180529905 1022506598 /nfs/dbraw/zinc/50/65/98/1022506598.db2.gz WVUKEHHVYLLTAZ-OAHLLOKOSA-N 1 0 329.465 4.015 20 10 EICDRO CCn1ccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001167436846 1022613770 /nfs/dbraw/zinc/61/37/70/1022613770.db2.gz CHOMRTLLPHUGAD-UHFFFAOYSA-N 1 0 348.494 4.025 20 10 EICDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000180670448 1022778061 /nfs/dbraw/zinc/77/80/61/1022778061.db2.gz LYLJWQOJMKUNNS-UZLBHIALSA-N 1 0 340.467 4.098 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1O ZINC000182636102 1022820426 /nfs/dbraw/zinc/82/04/26/1022820426.db2.gz AGUIIFQVZKPVGG-NSHDSACASA-N 1 0 327.355 4.331 20 10 EICDRO COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000363845165 1022846266 /nfs/dbraw/zinc/84/62/66/1022846266.db2.gz ALQOMXCFFXIRAW-YOEHRIQHSA-N 1 0 327.424 4.192 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1O ZINC001167707644 1022990683 /nfs/dbraw/zinc/99/06/83/1022990683.db2.gz AVLODEJCLGSDIL-FQEVSTJZSA-N 1 0 339.410 4.386 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]CC(C1CCC1)C1CCC1 ZINC000706881112 1023009858 /nfs/dbraw/zinc/00/98/58/1023009858.db2.gz NQULLSQMSDPCEX-UHFFFAOYSA-N 1 0 338.289 4.461 20 10 EICDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185319424 1023031751 /nfs/dbraw/zinc/03/17/51/1023031751.db2.gz PCCMDRDNAPERJP-AWEZNQCLSA-N 1 0 343.471 4.061 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1 ZINC000185318507 1023033469 /nfs/dbraw/zinc/03/34/69/1023033469.db2.gz KDFSJGHVVDZGDV-CYBMUJFWSA-N 1 0 346.496 4.020 20 10 EICDRO COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000186147339 1023102602 /nfs/dbraw/zinc/10/26/02/1023102602.db2.gz BBFBTEBTSBCBBH-CQSZACIVSA-N 1 0 346.496 4.085 20 10 EICDRO C[N@H+](CCc1nccs1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000157166025 1023249340 /nfs/dbraw/zinc/24/93/40/1023249340.db2.gz RRBFYXSQGQZYQK-UHFFFAOYSA-N 1 0 342.464 4.148 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCCCCCSC)CC2)cc1 ZINC000377150535 1023383431 /nfs/dbraw/zinc/38/34/31/1023383431.db2.gz GZUSTMRMQCQYDU-UHFFFAOYSA-N 1 0 336.545 4.177 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1O ZINC000156345534 1023583333 /nfs/dbraw/zinc/58/33/33/1023583333.db2.gz NBVUNGDCINQORV-IEBWSBKVSA-N 1 0 341.451 4.109 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)c1ccccc1O ZINC000156345653 1023583405 /nfs/dbraw/zinc/58/34/05/1023583405.db2.gz NBVUNGDCINQORV-HKUYNNGSSA-N 1 0 341.451 4.109 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000120567819 1023632994 /nfs/dbraw/zinc/63/29/94/1023632994.db2.gz HSONNEJWNHRWPO-GOSISDBHSA-N 1 0 328.456 4.011 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000398094807 1023682251 /nfs/dbraw/zinc/68/22/51/1023682251.db2.gz KHIPNVUPMQMDOW-GUXCAODWSA-N 1 0 342.458 4.093 20 10 EICDRO CC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1O ZINC000156429519 1023852699 /nfs/dbraw/zinc/85/26/99/1023852699.db2.gz IXXDLHIPZJHHJJ-SFHVURJKSA-N 1 0 340.398 4.470 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178229065 1023853773 /nfs/dbraw/zinc/85/37/73/1023853773.db2.gz UPJMLVGOFGMGQB-HNNXBMFYSA-N 1 0 327.428 4.292 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)c(F)cc1OC ZINC001143403011 1023854526 /nfs/dbraw/zinc/85/45/26/1023854526.db2.gz TWDIMPIFGWOLTF-UHFFFAOYSA-N 1 0 334.410 4.062 20 10 EICDRO CCOCC(C)(C)C[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000313595670 1024059796 /nfs/dbraw/zinc/05/97/96/1024059796.db2.gz AAVNFWZZMIREML-AWEZNQCLSA-N 1 0 344.293 4.258 20 10 EICDRO CC1(C)CC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000236739056 1024339448 /nfs/dbraw/zinc/33/94/48/1024339448.db2.gz DDEAUYUNFXKGTD-UHFFFAOYSA-N 1 0 329.532 4.076 20 10 EICDRO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000277070932 1025020668 /nfs/dbraw/zinc/02/06/68/1025020668.db2.gz DVNGDOSOFXLMCQ-MJBXVCDLSA-N 1 0 342.487 4.314 20 10 EICDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc2ccccc2c1O ZINC000326689188 1025203706 /nfs/dbraw/zinc/20/37/06/1025203706.db2.gz QHFIFJOAZHGBBV-HOCLYGCPSA-N 1 0 335.403 4.036 20 10 EICDRO c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC000800222354 1025319748 /nfs/dbraw/zinc/31/97/48/1025319748.db2.gz PPNPXQHDNGLABM-TZIWHRDSSA-N 1 0 335.495 4.498 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000157045549 1025786213 /nfs/dbraw/zinc/78/62/13/1025786213.db2.gz QEVFMYKJUMGJJV-ZIFCJYIRSA-N 1 0 333.378 4.241 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C)cc1O ZINC000375659465 1025897820 /nfs/dbraw/zinc/89/78/20/1025897820.db2.gz WNAFVRVPRSPLHD-HXUWFJFHSA-N 1 0 335.451 4.342 20 10 EICDRO C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(N(C)C)cc1 ZINC000893682837 1026333664 /nfs/dbraw/zinc/33/36/64/1026333664.db2.gz DGHHDBVJBZMMON-NSHDSACASA-N 1 0 343.418 4.165 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1C ZINC000279617081 1026547343 /nfs/dbraw/zinc/54/73/43/1026547343.db2.gz AIROESUEJYPBID-LBPRGKRZSA-N 1 0 335.245 4.012 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000048817717 1026643423 /nfs/dbraw/zinc/64/34/23/1026643423.db2.gz CVLYKKJNFRYULR-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000279851440 1026727154 /nfs/dbraw/zinc/72/71/54/1026727154.db2.gz RTPIKQMQZQRPNT-UHFFFAOYSA-N 1 0 335.451 4.196 20 10 EICDRO COCC1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000840880451 1027240847 /nfs/dbraw/zinc/24/08/47/1027240847.db2.gz JZPMUQWEMJNIKZ-DCBWTQNWSA-N 1 0 342.277 4.011 20 10 EICDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000161403357 1027328142 /nfs/dbraw/zinc/32/81/42/1027328142.db2.gz BMUFXDHSPSPALE-GHTZIAJQSA-N 1 0 338.495 4.104 20 10 EICDRO COc1ccc(C[N@H+](C(C)C)[C@@H](C)c2ccsc2)c(O)c1OC ZINC000894976645 1027649650 /nfs/dbraw/zinc/64/96/50/1027649650.db2.gz DKQFKMPVLFKZFN-ZDUSSCGKSA-N 1 0 335.469 4.443 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(Cl)nc1 ZINC000179107995 1027791321 /nfs/dbraw/zinc/79/13/21/1027791321.db2.gz APJXIQRBBSFLNA-AWEZNQCLSA-N 1 0 347.915 4.139 20 10 EICDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000305753269 1027808869 /nfs/dbraw/zinc/80/88/69/1027808869.db2.gz ULYKUBVQVHBWSK-FUHIMQAGSA-N 1 0 342.483 4.433 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1C ZINC000728559748 1028424592 /nfs/dbraw/zinc/42/45/92/1028424592.db2.gz HTUMRWGGARJKFD-UHFFFAOYSA-N 1 0 343.467 4.344 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccncc32)cc1 ZINC000021968732 1029028042 /nfs/dbraw/zinc/02/80/42/1029028042.db2.gz QCYGVQTZWBKBTA-FQEVSTJZSA-N 1 0 334.419 4.286 20 10 EICDRO COC1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840793518 1029348231 /nfs/dbraw/zinc/34/82/31/1029348231.db2.gz RGDMDCLSSWVLCW-ZLPCBKJTSA-N 1 0 334.479 4.424 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1OC ZINC000475189123 1029353036 /nfs/dbraw/zinc/35/30/36/1029353036.db2.gz FBGNVAYVOPUTGE-UHFFFAOYSA-N 1 0 338.451 4.184 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000192737782 1029382144 /nfs/dbraw/zinc/38/21/44/1029382144.db2.gz YRHQMIDFOKQNHK-ZBEGNZNMSA-N 1 0 333.428 4.428 20 10 EICDRO CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167932651 1029626476 /nfs/dbraw/zinc/62/64/76/1029626476.db2.gz WKJOSKBXYOORTC-CRAIPNDOSA-N 1 0 341.503 4.043 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000184694683 1030093052 /nfs/dbraw/zinc/09/30/52/1030093052.db2.gz SUSDIDJNOTYYGV-MRXNPFEDSA-N 1 0 332.831 4.095 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000184811964 1030093305 /nfs/dbraw/zinc/09/33/05/1030093305.db2.gz GJGGTWXUDHXPNQ-QFIPXVFZSA-N 1 0 331.415 4.177 20 10 EICDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1F ZINC000185134900 1030116983 /nfs/dbraw/zinc/11/69/83/1030116983.db2.gz RDYMDAFTIOQZAY-CQSZACIVSA-N 1 0 339.414 4.185 20 10 EICDRO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)n1 ZINC000185477579 1030157403 /nfs/dbraw/zinc/15/74/03/1030157403.db2.gz ZJOMMGIMRLAAGV-AWEZNQCLSA-N 1 0 345.874 4.069 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1-n1cccn1 ZINC000185742740 1030220724 /nfs/dbraw/zinc/22/07/24/1030220724.db2.gz JFXRJWFKLFBXJZ-KGLIPLIRSA-N 1 0 325.387 4.129 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000530213573 1030225401 /nfs/dbraw/zinc/22/54/01/1030225401.db2.gz ALUWRZMGUIEBHD-KGLIPLIRSA-N 1 0 329.271 4.024 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2O)OC)c1 ZINC000527933232 1030973735 /nfs/dbraw/zinc/97/37/35/1030973735.db2.gz ZTCFIJVKGGIFKA-KPZWWZAWSA-N 1 0 335.831 4.093 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1O ZINC000527962009 1031003355 /nfs/dbraw/zinc/00/33/55/1031003355.db2.gz LPPUHXNMFLERSN-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc2c(cc1O)CCCC2 ZINC000527968329 1031011605 /nfs/dbraw/zinc/01/16/05/1031011605.db2.gz ZNYCGSFQZHVBNB-AWEZNQCLSA-N 1 0 335.451 4.009 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905351 1031095126 /nfs/dbraw/zinc/09/51/26/1031095126.db2.gz BUFPZXDHOOSJSS-BQFCYCMXSA-N 1 0 342.458 4.093 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1O ZINC000179683105 1031270391 /nfs/dbraw/zinc/27/03/91/1031270391.db2.gz XNEKPNXNZQPTCJ-CYBMUJFWSA-N 1 0 345.414 4.372 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1O ZINC000894151198 1034380262 /nfs/dbraw/zinc/38/02/62/1034380262.db2.gz ZNXPQQYRQGJIEI-UHFFFAOYSA-N 1 0 325.330 4.018 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1O ZINC000894186563 1034651420 /nfs/dbraw/zinc/65/14/20/1034651420.db2.gz KNIMUIFNHPMMCY-OAHLLOKOSA-N 1 0 329.440 4.347 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280038333 1035135685 /nfs/dbraw/zinc/13/56/85/1035135685.db2.gz IQLJEVGABRYGLN-BEFAXECRSA-N 1 0 336.439 4.083 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151388136 1035744081 /nfs/dbraw/zinc/74/40/81/1035744081.db2.gz HSYJXVSWGBNWDA-MRXNPFEDSA-N 1 0 327.447 4.104 20 10 EICDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)ccc1OC ZINC000168796786 1035746020 /nfs/dbraw/zinc/74/60/20/1035746020.db2.gz YNJSGCNSYGLADP-MRXNPFEDSA-N 1 0 342.483 4.401 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1O ZINC000761191113 1035995883 /nfs/dbraw/zinc/99/58/83/1035995883.db2.gz NOSJQQFYWLSIKM-INIZCTEOSA-N 1 0 349.883 4.344 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(OC)c1O ZINC000761195217 1036020985 /nfs/dbraw/zinc/02/09/85/1036020985.db2.gz JOYQNSXEPHECAG-UHFFFAOYSA-N 1 0 335.831 4.172 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1O ZINC000761202800 1036027643 /nfs/dbraw/zinc/02/76/43/1036027643.db2.gz MLLLYZNVUIWAJW-QGZVFWFLSA-N 1 0 346.858 4.131 20 10 EICDRO COc1ccccc1CC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761206686 1036034342 /nfs/dbraw/zinc/03/43/42/1036034342.db2.gz NKZFBWJUUKTUAX-UHFFFAOYSA-N 1 0 349.858 4.174 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1O ZINC000761207579 1036048611 /nfs/dbraw/zinc/04/86/11/1036048611.db2.gz PZWLPINNLLUPOM-UHFFFAOYSA-N 1 0 338.234 4.487 20 10 EICDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000164344036 1036069640 /nfs/dbraw/zinc/06/96/40/1036069640.db2.gz KQYRWJLMQZAAKQ-UHFFFAOYSA-N 1 0 341.295 4.326 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000761217452 1036171890 /nfs/dbraw/zinc/17/18/90/1036171890.db2.gz VMHIRYSYGIBKGJ-GXSJLCMTSA-N 1 0 337.769 4.217 20 10 EICDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838528315 1036846886 /nfs/dbraw/zinc/84/68/86/1036846886.db2.gz CUWCWGSGDYPXOP-HNNXBMFYSA-N 1 0 327.299 4.303 20 10 EICDRO C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc2ccccc2c1O ZINC000323834274 1036901212 /nfs/dbraw/zinc/90/12/12/1036901212.db2.gz BRQVOEZXUDENEL-KRWDZBQOSA-N 1 0 326.484 4.318 20 10 EICDRO COc1cccc(C2([NH2+]Cc3cc(Cl)cc(C(C)=O)c3O)CC2)c1 ZINC000271737276 1037000786 /nfs/dbraw/zinc/00/07/86/1037000786.db2.gz UXGKXXPFTOXJQY-UHFFFAOYSA-N 1 0 345.826 4.036 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cc1OC ZINC000271876952 1037044697 /nfs/dbraw/zinc/04/46/97/1037044697.db2.gz ZOZLGSFJKPGAOP-FQEVSTJZSA-N 1 0 345.414 4.098 20 10 EICDRO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271962865 1037065111 /nfs/dbraw/zinc/06/51/11/1037065111.db2.gz GQCSVXVEXHSKHV-INIZCTEOSA-N 1 0 340.442 4.002 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](CCOC)c2ccc(C)o2)ccc1OC ZINC000272265030 1037148361 /nfs/dbraw/zinc/14/83/61/1037148361.db2.gz JQSMCZWJTISVSS-GOSISDBHSA-N 1 0 347.455 4.001 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2ccnc2)cc1 ZINC000171377553 1037362992 /nfs/dbraw/zinc/36/29/92/1037362992.db2.gz PZNNQGDLFYGEGI-KRWDZBQOSA-N 1 0 346.478 4.106 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273305955 1037405486 /nfs/dbraw/zinc/40/54/86/1037405486.db2.gz CRQISWXYZDGFRV-HZPDHXFCSA-N 1 0 336.439 4.002 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c(O)c1C ZINC000273382826 1037448790 /nfs/dbraw/zinc/44/87/90/1037448790.db2.gz IRWFECAOEBUVTD-KRWDZBQOSA-N 1 0 339.483 4.245 20 10 EICDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273483336 1037480682 /nfs/dbraw/zinc/48/06/82/1037480682.db2.gz MPHXJEISNIZTEF-ACJLOTCBSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)c1nnc2n1CCCCC2 ZINC000273579598 1037510826 /nfs/dbraw/zinc/51/08/26/1037510826.db2.gz MJNGSDKRLPQLBU-NVXWUHKLSA-N 1 0 342.487 4.129 20 10 EICDRO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000273591016 1037518196 /nfs/dbraw/zinc/51/81/96/1037518196.db2.gz PDFBAFDNBVAMGB-CHWSQXEVSA-N 1 0 346.496 4.286 20 10 EICDRO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000760897328 1037649418 /nfs/dbraw/zinc/64/94/18/1037649418.db2.gz KGSVVPSKNZPWHI-KRWDZBQOSA-N 1 0 348.494 4.414 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Br)s2)c(O)c1 ZINC000230659469 1038224681 /nfs/dbraw/zinc/22/46/81/1038224681.db2.gz LTEFXRHVTDWFQK-LLVKDONJSA-N 1 0 340.286 4.418 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000173418227 1038322608 /nfs/dbraw/zinc/32/26/08/1038322608.db2.gz IMLWCTOQGHSIRH-UHFFFAOYSA-N 1 0 331.378 4.170 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(F)ccc2Br)cc1C ZINC000174283533 1038895423 /nfs/dbraw/zinc/89/54/23/1038895423.db2.gz UESAIKUNJZVDPT-UHFFFAOYSA-N 1 0 338.220 4.200 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000174374542 1038922823 /nfs/dbraw/zinc/92/28/23/1038922823.db2.gz XZRLZMPJYGTLEA-ZDUSSCGKSA-N 1 0 343.452 4.477 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(Br)cc1O ZINC000927061955 1039745313 /nfs/dbraw/zinc/74/53/13/1039745313.db2.gz VOFGGHRXAXYBHY-XHDPSFHLSA-N 1 0 347.256 4.278 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](C)c2csc3ccccc32)cc1OC ZINC000898575673 1041043865 /nfs/dbraw/zinc/04/38/65/1041043865.db2.gz CDACSCXRLVGNJB-LBPRGKRZSA-N 1 0 343.448 4.475 20 10 EICDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC000904274466 1041413413 /nfs/dbraw/zinc/41/34/13/1041413413.db2.gz MSCYZLQSOXGHCI-KHYOSLBOSA-N 1 0 349.438 4.446 20 10 EICDRO CCOCc1cc(C[NH2+]C(C)(C)c2ccccc2OC)ccc1OC ZINC000171440183 1041793481 /nfs/dbraw/zinc/79/34/81/1041793481.db2.gz SHUZRDLWLHDIBB-UHFFFAOYSA-N 1 0 343.467 4.265 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccc(C)s3)CC2)cc1 ZINC000151884378 1042525348 /nfs/dbraw/zinc/52/53/48/1042525348.db2.gz YSCVMXGRRJNVAX-HNNXBMFYSA-N 1 0 344.524 4.255 20 10 EICDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000760042738 1042938302 /nfs/dbraw/zinc/93/83/02/1042938302.db2.gz XNMXHZKWKBGVHD-WILYLXEWSA-N 1 0 349.833 4.002 20 10 EICDRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000152694993 1042949875 /nfs/dbraw/zinc/94/98/75/1042949875.db2.gz METHTBHZUBCOSR-ZWKOTPCHSA-N 1 0 338.495 4.497 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000237234499 1043058242 /nfs/dbraw/zinc/05/82/42/1043058242.db2.gz BMPGUIWARAZZOJ-GFCCVEGCSA-N 1 0 339.357 4.140 20 10 EICDRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1OC ZINC000766030610 1043062119 /nfs/dbraw/zinc/06/21/19/1043062119.db2.gz UWDCBYOWAYHNTB-AWEZNQCLSA-N 1 0 346.446 4.068 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000185517526 1043089031 /nfs/dbraw/zinc/08/90/31/1043089031.db2.gz CPHZFHZGYDUMAV-QQFBHYJXSA-N 1 0 348.487 4.187 20 10 EICDRO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921928735 1043113805 /nfs/dbraw/zinc/11/38/05/1043113805.db2.gz XTICRGSJVLWCRR-WIYYLYMNSA-N 1 0 337.463 4.269 20 10 EICDRO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921928721 1043113915 /nfs/dbraw/zinc/11/39/15/1043113915.db2.gz XTICRGSJVLWCRR-GHTZIAJQSA-N 1 0 337.463 4.269 20 10 EICDRO Fc1cc(C[NH2+]CCCC2CCCCC2)ccc1N1CCOCC1 ZINC000727465523 1043227236 /nfs/dbraw/zinc/22/72/36/1043227236.db2.gz AFXRCDIATSYYHG-UHFFFAOYSA-N 1 0 334.479 4.112 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCC[C@@H]1C ZINC000727643654 1043255694 /nfs/dbraw/zinc/25/56/94/1043255694.db2.gz BCZZHMPJYMETDS-RBUKOAKNSA-N 1 0 329.532 4.029 20 10 EICDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922002965 1043292225 /nfs/dbraw/zinc/29/22/25/1043292225.db2.gz WQOQXWUVLHXEQF-CQSZACIVSA-N 1 0 327.472 4.122 20 10 EICDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cc(Br)ccc1O ZINC001168465061 1043393310 /nfs/dbraw/zinc/39/33/10/1043393310.db2.gz NVUXPBALGLSGMW-LLVKDONJSA-N 1 0 338.220 4.015 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442858707 1043878399 /nfs/dbraw/zinc/87/83/99/1043878399.db2.gz SSICCLJIGPCPGK-HNNXBMFYSA-N 1 0 329.447 4.225 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(COCc1ccccc1)OC)c1ccccc1O ZINC000702796021 1044004199 /nfs/dbraw/zinc/00/41/99/1044004199.db2.gz MBQWKQIDGAWTKV-PZJWPPBQSA-N 1 0 343.467 4.055 20 10 EICDRO Cc1cc(CC[NH2+]Cc2cnn(C(C)C)c2)c(C)n1-c1ccccc1 ZINC000732817676 1044011485 /nfs/dbraw/zinc/01/14/85/1044011485.db2.gz DKPVOHXRUKPWET-UHFFFAOYSA-N 1 0 336.483 4.204 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]CC1(CCOCc3ccccc3)CC1)CC2 ZINC000702912072 1044038758 /nfs/dbraw/zinc/03/87/58/1044038758.db2.gz BFOZKHVUEWXKAT-IBGZPJMESA-N 1 0 337.463 4.356 20 10 EICDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000732987202 1044063618 /nfs/dbraw/zinc/06/36/18/1044063618.db2.gz YPLGTFOUOYTZOP-GOSISDBHSA-N 1 0 338.495 4.406 20 10 EICDRO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000766119651 1044237876 /nfs/dbraw/zinc/23/78/76/1044237876.db2.gz QOIJXJNSZINQIM-LBPRGKRZSA-N 1 0 345.405 4.473 20 10 EICDRO C[C@H]([NH2+]CCOC1CCCCC1)c1ccc(Br)cc1O ZINC000756488361 1044323747 /nfs/dbraw/zinc/32/37/47/1044323747.db2.gz DGEWFLRSLDBOLV-LBPRGKRZSA-N 1 0 342.277 4.155 20 10 EICDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000766144117 1044351322 /nfs/dbraw/zinc/35/13/22/1044351322.db2.gz VGSMOBMJFBLUHY-YLJYHZDGSA-N 1 0 342.483 4.353 20 10 EICDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000766144116 1044352349 /nfs/dbraw/zinc/35/23/49/1044352349.db2.gz VGSMOBMJFBLUHY-XLIONFOSSA-N 1 0 342.483 4.353 20 10 EICDRO CCC[C@@H](C[NH2+][C@@H](CC)c1cc(Br)ccc1O)OC ZINC000378839874 1044413593 /nfs/dbraw/zinc/41/35/93/1044413593.db2.gz XJUIMUXBBKRTGD-JSGCOSHPSA-N 1 0 330.266 4.011 20 10 EICDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000227434725 1044431411 /nfs/dbraw/zinc/43/14/11/1044431411.db2.gz QJTYZYOXVSYDGW-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000734143825 1044503150 /nfs/dbraw/zinc/50/31/50/1044503150.db2.gz HYEBHLVYMQFQMW-LJQANCHMSA-N 1 0 332.447 4.456 20 10 EICDRO CN(C)c1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1 ZINC000705797286 1044674710 /nfs/dbraw/zinc/67/47/10/1044674710.db2.gz YEJIVQRSMVNLEH-UHFFFAOYSA-N 1 0 338.495 4.229 20 10 EICDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734851493 1044702888 /nfs/dbraw/zinc/70/28/88/1044702888.db2.gz BQUMXIISXROZQU-HXUWFJFHSA-N 1 0 345.446 4.325 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)CCc3ccc(C)o3)CC2)cc1 ZINC000766212647 1044739063 /nfs/dbraw/zinc/73/90/63/1044739063.db2.gz TXMUSEZRMUHLSQ-MRXNPFEDSA-N 1 0 342.483 4.176 20 10 EICDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000762072432 1044889117 /nfs/dbraw/zinc/88/91/17/1044889117.db2.gz BWAGDBXLTRZUTF-UHFFFAOYSA-N 1 0 343.515 4.495 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165087 1045004154 /nfs/dbraw/zinc/00/41/54/1045004154.db2.gz CKWQLXHBBDBKEW-BJLQDIEVSA-N 1 0 329.532 4.200 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000738066839 1045031588 /nfs/dbraw/zinc/03/15/88/1045031588.db2.gz OMGHJWXALPLEKS-IBGZPJMESA-N 1 0 336.460 4.231 20 10 EICDRO CCc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000738158667 1045038833 /nfs/dbraw/zinc/03/88/33/1045038833.db2.gz OSSYSPPQONBZOW-GOSISDBHSA-N 1 0 341.499 4.286 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000738104611 1045040520 /nfs/dbraw/zinc/04/05/20/1045040520.db2.gz MLKSTBDLUYWGHA-SFHVURJKSA-N 1 0 330.516 4.058 20 10 EICDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000762236155 1045120257 /nfs/dbraw/zinc/12/02/57/1045120257.db2.gz AXDQWHDGCVCOMT-UHFFFAOYSA-N 1 0 325.416 4.222 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698924 1045138268 /nfs/dbraw/zinc/13/82/68/1045138268.db2.gz FFTOARCTLBNDRO-YWZLYKJASA-N 1 0 340.467 4.326 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](OC)c2ccccc2)cc1F ZINC000740003930 1045173892 /nfs/dbraw/zinc/17/38/92/1045173892.db2.gz CQDGFQQAECIAGH-HXUWFJFHSA-N 1 0 330.447 4.149 20 10 EICDRO COc1ccc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000740005441 1045174076 /nfs/dbraw/zinc/17/40/76/1045174076.db2.gz CHYKUSOUAQHIBN-KRWDZBQOSA-N 1 0 326.484 4.223 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)cc1F ZINC000740002108 1045174128 /nfs/dbraw/zinc/17/41/28/1045174128.db2.gz MLICKZIFLUKRIQ-KRWDZBQOSA-N 1 0 342.458 4.013 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1F ZINC000740003955 1045174270 /nfs/dbraw/zinc/17/42/70/1045174270.db2.gz FELSTFCBEMQAFY-IBGZPJMESA-N 1 0 346.494 4.073 20 10 EICDRO CCC[N@H+](Cc1ccc(Oc2ccccc2)nn1)Cc1ccccc1O ZINC000766251534 1045196137 /nfs/dbraw/zinc/19/61/37/1045196137.db2.gz UPZHDHDFYHHGOD-UHFFFAOYSA-N 1 0 349.434 4.387 20 10 EICDRO Cc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(C)c1 ZINC000915229777 1045202492 /nfs/dbraw/zinc/20/24/92/1045202492.db2.gz QIJXOCOEXRJQFO-OAQYLSRUSA-N 1 0 348.494 4.303 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000740899559 1045241812 /nfs/dbraw/zinc/24/18/12/1045241812.db2.gz HDHHVQHCZRJGSN-HXUWFJFHSA-N 1 0 346.540 4.372 20 10 EICDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cccc1[N+](=O)[O-] ZINC000790696111 1045560698 /nfs/dbraw/zinc/56/06/98/1045560698.db2.gz RLPXITACCRPTNA-IINYFYTJSA-N 1 0 330.359 4.086 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000790697157 1045561213 /nfs/dbraw/zinc/56/12/13/1045561213.db2.gz KDOIZORVJQIIDB-QFBILLFUSA-N 1 0 340.515 4.128 20 10 EICDRO CN(Cc1ncc(C(C)(C)C)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000790922494 1045621979 /nfs/dbraw/zinc/62/19/79/1045621979.db2.gz MPXICBKAAQTMIP-UHFFFAOYSA-N 1 0 347.528 4.017 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000790946437 1045632306 /nfs/dbraw/zinc/63/23/06/1045632306.db2.gz AXEOPBNSMMQMHU-UHFFFAOYSA-N 1 0 336.819 4.127 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000768097842 1045709665 /nfs/dbraw/zinc/70/96/65/1045709665.db2.gz FIAHAIWOJLUKSK-IBGZPJMESA-N 1 0 342.458 4.458 20 10 EICDRO CN(C)c1ncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)s1 ZINC000768134309 1045723218 /nfs/dbraw/zinc/72/32/18/1045723218.db2.gz SAWNGLGMFSVVRL-UHFFFAOYSA-N 1 0 345.512 4.250 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cnn2ccccc12)C1CCCCC1 ZINC000768134787 1045724599 /nfs/dbraw/zinc/72/45/99/1045724599.db2.gz UUETVCGCOMFFBT-UHFFFAOYSA-N 1 0 335.451 4.375 20 10 EICDRO CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(N(C)C)cc1 ZINC000768133959 1045724986 /nfs/dbraw/zinc/72/49/86/1045724986.db2.gz NLSAEXLANRVYPS-UHFFFAOYSA-N 1 0 340.496 4.226 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162528 1045728213 /nfs/dbraw/zinc/72/82/13/1045728213.db2.gz NXEMXSXSBBPKFP-HKBOAZHASA-N 1 0 337.463 4.177 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000791494532 1045751578 /nfs/dbraw/zinc/75/15/78/1045751578.db2.gz TYGHXULHTRJNKE-UZUQRXQVSA-N 1 0 348.490 4.160 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1O ZINC000768256336 1045768339 /nfs/dbraw/zinc/76/83/39/1045768339.db2.gz CLKZQTJGTWZLSV-DYVFJYSZSA-N 1 0 327.424 4.282 20 10 EICDRO Cc1cc(O)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000768334245 1045788897 /nfs/dbraw/zinc/78/88/97/1045788897.db2.gz OLOQXTBYQYZQNO-UHFFFAOYSA-N 1 0 326.396 4.082 20 10 EICDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1OC ZINC000768439860 1045807590 /nfs/dbraw/zinc/80/75/90/1045807590.db2.gz ODHNNHGNEVMJKB-HNNXBMFYSA-N 1 0 341.451 4.210 20 10 EICDRO COc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c(O)cc1C ZINC000768443577 1045807645 /nfs/dbraw/zinc/80/76/45/1045807645.db2.gz STWNHWOZXPMPEB-UHFFFAOYSA-N 1 0 333.378 4.152 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440896 1045807851 /nfs/dbraw/zinc/80/78/51/1045807851.db2.gz HMDOAKXQJABUKJ-MRXNPFEDSA-N 1 0 347.842 4.400 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1C ZINC000768478299 1045808690 /nfs/dbraw/zinc/80/86/90/1045808690.db2.gz PUCXSOLFLFQAQD-UHFFFAOYSA-N 1 0 343.442 4.329 20 10 EICDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000763336149 1045828142 /nfs/dbraw/zinc/82/81/42/1045828142.db2.gz PKCNEKCXJYUBDP-LJQANCHMSA-N 1 0 329.415 4.030 20 10 EICDRO c1ccc(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000769106558 1045880246 /nfs/dbraw/zinc/88/02/46/1045880246.db2.gz VBBHBCSBAYKKJT-UHFFFAOYSA-N 1 0 335.495 4.452 20 10 EICDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000769211780 1045895421 /nfs/dbraw/zinc/89/54/21/1045895421.db2.gz MHOCLXLBEWKOQN-RXVVDRJESA-N 1 0 325.452 4.300 20 10 EICDRO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccccc2OC)c1O ZINC000769333178 1045927143 /nfs/dbraw/zinc/92/71/43/1045927143.db2.gz FYNYXRJVJVORQY-KRWDZBQOSA-N 1 0 327.424 4.137 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000769461279 1045982326 /nfs/dbraw/zinc/98/23/26/1045982326.db2.gz UVQZTWCZFUNJEK-HXUWFJFHSA-N 1 0 340.467 4.194 20 10 EICDRO COc1cc(Br)cc(C[NH+]2C3CCCC2CCC3)c1O ZINC000769499179 1045995978 /nfs/dbraw/zinc/99/59/78/1045995978.db2.gz OKXTZVJCEYIPMN-UHFFFAOYSA-N 1 0 340.261 4.070 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519339 1046006010 /nfs/dbraw/zinc/00/60/10/1046006010.db2.gz REXADKGOQJKASF-FQEVSTJZSA-N 1 0 337.463 4.308 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1O ZINC000769532686 1046010777 /nfs/dbraw/zinc/01/07/77/1046010777.db2.gz JZUCXMYQNGXZEL-OAHLLOKOSA-N 1 0 347.842 4.098 20 10 EICDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000769552086 1046019739 /nfs/dbraw/zinc/01/97/39/1046019739.db2.gz ZHPJSISDDMAQEY-NSHDSACASA-N 1 0 332.307 4.118 20 10 EICDRO FC(F)(F)CSCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000769691768 1046046083 /nfs/dbraw/zinc/04/60/83/1046046083.db2.gz UMRATOWYXHVSIQ-UHFFFAOYSA-N 1 0 332.435 4.062 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)CCC2CCOCC2)c(C(F)(F)F)c1 ZINC000792830500 1046072850 /nfs/dbraw/zinc/07/28/50/1046072850.db2.gz ZUVLWHZMFVDPOQ-UHFFFAOYSA-N 1 0 344.421 4.020 20 10 EICDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccccn3)cc2Cl)C1 ZINC000282054517 1046108150 /nfs/dbraw/zinc/10/81/50/1046108150.db2.gz PMUFIZZYZDDYFA-OAHLLOKOSA-N 1 0 329.875 4.261 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000763415199 1046146463 /nfs/dbraw/zinc/14/64/63/1046146463.db2.gz QBQPUYNTOPXGKO-XFQAVAEZSA-N 1 0 344.474 4.445 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000770279177 1046167440 /nfs/dbraw/zinc/16/74/40/1046167440.db2.gz GFIQKRNJDHDJJP-VQTJNVASSA-N 1 0 348.556 4.019 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)cc1OC ZINC000793231451 1046177269 /nfs/dbraw/zinc/17/72/69/1046177269.db2.gz CRJRXQGALMXGLG-MRXNPFEDSA-N 1 0 341.451 4.016 20 10 EICDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000154131538 1046177928 /nfs/dbraw/zinc/17/79/28/1046177928.db2.gz JANCGMDWEQNZPF-PXNSSMCTSA-N 1 0 341.499 4.223 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770320655 1046179272 /nfs/dbraw/zinc/17/92/72/1046179272.db2.gz DVLJVJIUOIELQN-VQTJNVASSA-N 1 0 342.483 4.214 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770372668 1046185629 /nfs/dbraw/zinc/18/56/29/1046185629.db2.gz FCANCUDTVJDELP-PMACEKPBSA-N 1 0 337.463 4.308 20 10 EICDRO COc1cccc(C=C2CC[NH+](Cc3c(O)cccc3OC)CC2)c1 ZINC000770353970 1046190348 /nfs/dbraw/zinc/19/03/48/1046190348.db2.gz ORIJNJABCQXZNZ-UHFFFAOYSA-N 1 0 339.435 4.089 20 10 EICDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000793353261 1046212739 /nfs/dbraw/zinc/21/27/39/1046212739.db2.gz QMCQHLCNFNVDIA-QAPCUYQASA-N 1 0 329.415 4.356 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC000793353259 1046212830 /nfs/dbraw/zinc/21/28/30/1046212830.db2.gz QMCQHLCNFNVDIA-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 ZINC000793386497 1046229917 /nfs/dbraw/zinc/22/99/17/1046229917.db2.gz UBRIXSZOMPWXKK-UHFFFAOYSA-N 1 0 345.748 4.363 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c(O)c1 ZINC000793389490 1046231878 /nfs/dbraw/zinc/23/18/78/1046231878.db2.gz ZOLYUSVOWFJQEA-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc2c(cc1O)CCCC2 ZINC000793564060 1046293730 /nfs/dbraw/zinc/29/37/30/1046293730.db2.gz BSHMKUUYOOMVQP-LBPRGKRZSA-N 1 0 348.393 4.118 20 10 EICDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1c1ccccc1 ZINC000746383165 1046336437 /nfs/dbraw/zinc/33/64/37/1046336437.db2.gz QTXWBSQDYHKFSZ-YJBOKZPZSA-N 1 0 339.435 4.137 20 10 EICDRO COc1ccc2c(NCCCSc3nccs3)cc[nH+]c2c1 ZINC000746461354 1046350489 /nfs/dbraw/zinc/35/04/89/1046350489.db2.gz UUSBZKJDAIWIIL-UHFFFAOYSA-N 1 0 331.466 4.294 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000916838611 1046381981 /nfs/dbraw/zinc/38/19/81/1046381981.db2.gz YFPXXOTUUSMUBJ-NRFANRHFSA-N 1 0 343.490 4.064 20 10 EICDRO Cc1cccc2ncc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)n21 ZINC000771935375 1046528424 /nfs/dbraw/zinc/52/84/24/1046528424.db2.gz PYJZNUXGVJKBMD-UHFFFAOYSA-N 1 0 348.494 4.265 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000917075487 1046638642 /nfs/dbraw/zinc/63/86/42/1046638642.db2.gz WXLVMLNCVGZNLG-UHFFFAOYSA-N 1 0 327.428 4.071 20 10 EICDRO COc1cccc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1O ZINC000785559529 1046710848 /nfs/dbraw/zinc/71/08/48/1046710848.db2.gz LYVXYDJQAMZMFO-GFCCVEGCSA-N 1 0 339.357 4.313 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1C)N(C)C)c1ccccc1O ZINC000785571935 1046722425 /nfs/dbraw/zinc/72/24/25/1046722425.db2.gz CSXCOYISSYOBLK-LRQRDZAKSA-N 1 0 326.484 4.433 20 10 EICDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O)N(C)C ZINC000785574121 1046722634 /nfs/dbraw/zinc/72/26/34/1046722634.db2.gz YJGMFWIRPOIEHL-SIFCLUCFSA-N 1 0 330.447 4.182 20 10 EICDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O)N(C)C ZINC000785574122 1046723214 /nfs/dbraw/zinc/72/32/14/1046723214.db2.gz YJGMFWIRPOIEHL-SXGZJXTBSA-N 1 0 330.447 4.182 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000917210030 1046807874 /nfs/dbraw/zinc/80/78/74/1046807874.db2.gz BYVDROQUKAZDOR-JOCHJYFZSA-N 1 0 336.479 4.285 20 10 EICDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000786164061 1046814164 /nfs/dbraw/zinc/81/41/64/1046814164.db2.gz RTKYKTZFEQQBFT-JOCHJYFZSA-N 1 0 347.458 4.061 20 10 EICDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000786581421 1046850309 /nfs/dbraw/zinc/85/03/09/1046850309.db2.gz IVBMCOCPHILBIT-LPHOPBHVSA-N 1 0 335.447 4.108 20 10 EICDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915991 1046881297 /nfs/dbraw/zinc/88/12/97/1046881297.db2.gz GJHWHLJIMSASIR-AUUYWEPGSA-N 1 0 332.875 4.444 20 10 EICDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000786955007 1046883968 /nfs/dbraw/zinc/88/39/68/1046883968.db2.gz XJRWEKMJJZSCHN-WMLDXEAASA-N 1 0 344.421 4.295 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cc(Cl)cs1)C[C@@H]1CCCO1 ZINC000787047596 1046899787 /nfs/dbraw/zinc/89/97/87/1046899787.db2.gz AMSNRFJUPAMMOA-HNNXBMFYSA-N 1 0 337.872 4.288 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2 ZINC000917484681 1046905093 /nfs/dbraw/zinc/90/50/93/1046905093.db2.gz WCEKYPOHXCESGK-FQEVSTJZSA-N 1 0 343.854 4.108 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331462 1046980997 /nfs/dbraw/zinc/98/09/97/1046980997.db2.gz JZBLVGKDILOWBC-GOSISDBHSA-N 1 0 349.858 4.264 20 10 EICDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000788257591 1047143943 /nfs/dbraw/zinc/14/39/43/1047143943.db2.gz AZLFIHRFYWHYEA-AWEZNQCLSA-N 1 0 334.410 4.247 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130686 1047154664 /nfs/dbraw/zinc/15/46/64/1047154664.db2.gz CQKILKSZVSBHOU-KRWDZBQOSA-N 1 0 329.875 4.358 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130687 1047155456 /nfs/dbraw/zinc/15/54/56/1047155456.db2.gz CQKILKSZVSBHOU-QGZVFWFLSA-N 1 0 329.875 4.358 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000806173786 1047160812 /nfs/dbraw/zinc/16/08/12/1047160812.db2.gz DJEWTCMVMIPQSA-SJCJKPOMSA-N 1 0 339.357 4.104 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c(C(C)(C)C)c1 ZINC000788380346 1047179166 /nfs/dbraw/zinc/17/91/66/1047179166.db2.gz GWYPLYPQFUUWOJ-GOSISDBHSA-N 1 0 340.467 4.046 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCSC(C)(C)CC3)c2c1 ZINC000788376263 1047179815 /nfs/dbraw/zinc/17/98/15/1047179815.db2.gz IIHNPVFJRJZFHI-UHFFFAOYSA-N 1 0 331.481 4.272 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806181564 1047192911 /nfs/dbraw/zinc/19/29/11/1047192911.db2.gz YBRYFVVKFDIHLT-AXAPSJFSSA-N 1 0 349.833 4.099 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)c(F)cc1[O-] ZINC000806178371 1047200695 /nfs/dbraw/zinc/20/06/95/1047200695.db2.gz FYSIEVFLZUATAL-NXEZZACHSA-N 1 0 348.281 4.088 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(O)c1 ZINC000788557865 1047222354 /nfs/dbraw/zinc/22/23/54/1047222354.db2.gz QVVGWUUGWBFILS-CRAIPNDOSA-N 1 0 330.447 4.102 20 10 EICDRO COc1ccc(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000788563012 1047225385 /nfs/dbraw/zinc/22/53/85/1047225385.db2.gz IYAKESRTFHEOFF-MRXNPFEDSA-N 1 0 343.467 4.310 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788532023 1047226924 /nfs/dbraw/zinc/22/69/24/1047226924.db2.gz KSFFOJYIFFRZPH-HNNXBMFYSA-N 1 0 330.859 4.052 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1F ZINC000788591103 1047242047 /nfs/dbraw/zinc/24/20/47/1047242047.db2.gz HXDJCSHTKZCSJD-IBGZPJMESA-N 1 0 328.431 4.033 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000788613464 1047247626 /nfs/dbraw/zinc/24/76/26/1047247626.db2.gz XFWMMSPZMOVDQE-CVEARBPZSA-N 1 0 348.487 4.059 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1C(C)C ZINC000760407287 1047359188 /nfs/dbraw/zinc/35/91/88/1047359188.db2.gz ICBAXRFSHNZLQX-GOSISDBHSA-N 1 0 331.481 4.459 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520073 1047495489 /nfs/dbraw/zinc/49/54/89/1047495489.db2.gz BGBMLFADBZXKPZ-INIZCTEOSA-N 1 0 349.377 4.025 20 10 EICDRO CC1(C)C[N@H+](Cc2c(O)ccc3ccncc32)CC[C@H]1C(F)(F)F ZINC000790460110 1047594031 /nfs/dbraw/zinc/59/40/31/1047594031.db2.gz KZLIMZVJYBBWQY-MRXNPFEDSA-N 1 0 338.373 4.351 20 10 EICDRO Cc1cnccc1CN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000824382749 1047864356 /nfs/dbraw/zinc/86/43/56/1047864356.db2.gz GIWYDGTUVDASEC-UHFFFAOYSA-N 1 0 335.451 4.251 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000814177763 1047867277 /nfs/dbraw/zinc/86/72/77/1047867277.db2.gz OISKXGAHRIXVOF-GTNSWQLSSA-N 1 0 337.872 4.208 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)CCC2 ZINC001171057003 1047877669 /nfs/dbraw/zinc/87/76/69/1047877669.db2.gz ROCLDGJSNDXRED-INIZCTEOSA-N 1 0 343.854 4.057 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@H]2CCCCC2(F)F)ccc1OC ZINC000824543155 1047887686 /nfs/dbraw/zinc/88/76/86/1047887686.db2.gz DZXHLAMNOHJANH-MRXNPFEDSA-N 1 0 327.415 4.147 20 10 EICDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824702902 1047905356 /nfs/dbraw/zinc/90/53/56/1047905356.db2.gz SZPRYTSXHDHVKN-HNNXBMFYSA-N 1 0 332.513 4.024 20 10 EICDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C(C)(C)C)c1O ZINC000814301435 1047971287 /nfs/dbraw/zinc/97/12/87/1047971287.db2.gz ZTICAOJHDSKOBW-UHFFFAOYSA-N 1 0 330.266 4.078 20 10 EICDRO COCC[C@H]([NH2+]Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000824959172 1048004861 /nfs/dbraw/zinc/00/48/61/1048004861.db2.gz BYLHGSOGKCYCCV-INIZCTEOSA-N 1 0 339.357 4.278 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)c1 ZINC000825117488 1048039964 /nfs/dbraw/zinc/03/99/64/1048039964.db2.gz FLTUUYBWHSPPHN-RDTXWAMCSA-N 1 0 326.440 4.023 20 10 EICDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825125054 1048040236 /nfs/dbraw/zinc/04/02/36/1048040236.db2.gz FEGGBCGUAFVRSV-HZMBPMFUSA-N 1 0 336.229 4.161 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000825144918 1048042738 /nfs/dbraw/zinc/04/27/38/1048042738.db2.gz UASUXQLINDVDMJ-OAHLLOKOSA-N 1 0 336.204 4.071 20 10 EICDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808673336 1048045100 /nfs/dbraw/zinc/04/51/00/1048045100.db2.gz NSQCDUGUWJDORY-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO COC(=O)CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC000825214940 1048051518 /nfs/dbraw/zinc/05/15/18/1048051518.db2.gz NRDROYICIMJTBN-KRWDZBQOSA-N 1 0 347.842 4.138 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1O ZINC000808707758 1048052568 /nfs/dbraw/zinc/05/25/68/1048052568.db2.gz XZJGIXWVGHCUDG-DEYYWGMASA-N 1 0 333.859 4.169 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1O ZINC000808715513 1048060949 /nfs/dbraw/zinc/06/09/49/1048060949.db2.gz VBOZYUWSQVTJHW-ZDUSSCGKSA-N 1 0 333.859 4.432 20 10 EICDRO CCc1nc([C@H](C)[NH2+]Cc2ccc(Br)cc2O)cs1 ZINC000825291198 1048063679 /nfs/dbraw/zinc/06/36/79/1048063679.db2.gz GNUUSPOYECAKOW-VIFPVBQESA-N 1 0 341.274 4.024 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000808719995 1048068805 /nfs/dbraw/zinc/06/88/05/1048068805.db2.gz ZNQYAZSAMAHIDA-UWVGGRQHSA-N 1 0 326.774 4.439 20 10 EICDRO Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)c(C)cc3O)nc21 ZINC000825315248 1048075375 /nfs/dbraw/zinc/07/53/75/1048075375.db2.gz GASRSQYQFCPZDK-UHFFFAOYSA-N 1 0 330.815 4.136 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000825406731 1048088831 /nfs/dbraw/zinc/08/88/31/1048088831.db2.gz YHMDBPQGXBHKHU-BEFAXECRSA-N 1 0 331.843 4.221 20 10 EICDRO Oc1ccccc1C[N@H+](CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000808736653 1048096949 /nfs/dbraw/zinc/09/69/49/1048096949.db2.gz XTQMETAJBRSAIA-NRFANRHFSA-N 1 0 337.419 4.111 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478422 1048097980 /nfs/dbraw/zinc/09/79/80/1048097980.db2.gz AKBVWIIBQSAIPE-GJZGRUSLSA-N 1 0 336.907 4.097 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)C ZINC000808742337 1048100049 /nfs/dbraw/zinc/10/00/49/1048100049.db2.gz PVSWWFDWRLOLAK-UZLBHIALSA-N 1 0 327.468 4.362 20 10 EICDRO CCn1c2ccccc2nc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825509550 1048107949 /nfs/dbraw/zinc/10/79/49/1048107949.db2.gz MGSOHKHMFAMYIA-UHFFFAOYSA-N 1 0 329.831 4.013 20 10 EICDRO COc1c(F)cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC001143854277 1048248390 /nfs/dbraw/zinc/24/83/90/1048248390.db2.gz SAQKNMXLQAOJPZ-UHFFFAOYSA-N 1 0 336.838 4.186 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000809729352 1048477476 /nfs/dbraw/zinc/47/74/76/1048477476.db2.gz SQVPLBOOGARRQA-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO Cc1n[nH]cc1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815557680 1048507991 /nfs/dbraw/zinc/50/79/91/1048507991.db2.gz AFJRHVPCCTYIMY-OAQYLSRUSA-N 1 0 349.478 4.320 20 10 EICDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815583383 1048519913 /nfs/dbraw/zinc/51/99/13/1048519913.db2.gz DLBQBNASFDMAIQ-WMLDXEAASA-N 1 0 327.424 4.192 20 10 EICDRO CC(C)(CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815582966 1048521025 /nfs/dbraw/zinc/52/10/25/1048521025.db2.gz UDWMBWINRCAUEU-FQEVSTJZSA-N 1 0 341.495 4.454 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(C(=O)OC)cc1 ZINC000815580085 1048521458 /nfs/dbraw/zinc/52/14/58/1048521458.db2.gz BVBKYNGZDYCNHE-FQEVSTJZSA-N 1 0 340.467 4.089 20 10 EICDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815585111 1048524015 /nfs/dbraw/zinc/52/40/15/1048524015.db2.gz YNLIBOOFIYUZRV-CVEARBPZSA-N 1 0 329.440 4.136 20 10 EICDRO CC[C@@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815587791 1048525284 /nfs/dbraw/zinc/52/52/84/1048525284.db2.gz TXRKWCSKPPDCHK-PXNSSMCTSA-N 1 0 327.468 4.064 20 10 EICDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000809763916 1048525764 /nfs/dbraw/zinc/52/57/64/1048525764.db2.gz SNWNPSGMFFNSHB-KRWDZBQOSA-N 1 0 347.842 4.218 20 10 EICDRO CN(C)C1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815618510 1048543800 /nfs/dbraw/zinc/54/38/00/1048543800.db2.gz NGHQVRVFXIZYFY-HXUWFJFHSA-N 1 0 338.495 4.140 20 10 EICDRO CC(C)(C)OCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815604573 1048556159 /nfs/dbraw/zinc/55/61/59/1048556159.db2.gz TXDYBIDVJQALKO-IBGZPJMESA-N 1 0 327.468 4.471 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOC1CCC1 ZINC000815606872 1048557102 /nfs/dbraw/zinc/55/71/02/1048557102.db2.gz JLBCRSPFZYZBIS-HXUWFJFHSA-N 1 0 325.452 4.225 20 10 EICDRO CSc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)N(C)C)cc1 ZINC000815660095 1048561603 /nfs/dbraw/zinc/56/16/03/1048561603.db2.gz RHCUQFMQUVJNKN-ACJLOTCBSA-N 1 0 348.487 4.207 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O ZINC000815643282 1048567019 /nfs/dbraw/zinc/56/70/19/1048567019.db2.gz YKJZTUMQLIGSPN-YGRLFVJLSA-N 1 0 340.345 4.314 20 10 EICDRO CC[C@@H]([NH2+]CCC1(OC)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000815642233 1048567567 /nfs/dbraw/zinc/56/75/67/1048567567.db2.gz WJNVMSXEEUVGFM-CQSZACIVSA-N 1 0 331.378 4.411 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000920177977 1048574005 /nfs/dbraw/zinc/57/40/05/1048574005.db2.gz SJPVCTYCKJZRKC-UHFFFAOYSA-N 1 0 348.494 4.090 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3cscc3C(F)(F)F)ccc21 ZINC000810138986 1048642355 /nfs/dbraw/zinc/64/23/55/1048642355.db2.gz YTDICBUNNJDCOH-UHFFFAOYSA-N 1 0 340.414 4.439 20 10 EICDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000920416643 1048671126 /nfs/dbraw/zinc/67/11/26/1048671126.db2.gz UOVKYSHUBYUQRT-CYBMUJFWSA-N 1 0 346.268 4.105 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1O ZINC000810211844 1048680097 /nfs/dbraw/zinc/68/00/97/1048680097.db2.gz IIMMXNYVYWUHLX-MRXNPFEDSA-N 1 0 339.357 4.400 20 10 EICDRO CC[C@@H]([NH2+]CCc1nccs1)c1ccc(C(F)(F)F)cc1O ZINC000810214581 1048684580 /nfs/dbraw/zinc/68/45/80/1048684580.db2.gz CAFRDLCLVOUQFU-GFCCVEGCSA-N 1 0 330.375 4.151 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C(F)(F)F)cc1O ZINC000810217694 1048686262 /nfs/dbraw/zinc/68/62/62/1048686262.db2.gz ABGDDRFATZKIPW-HIFRSBDPSA-N 1 0 345.386 4.247 20 10 EICDRO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220934 1048688520 /nfs/dbraw/zinc/68/85/20/1048688520.db2.gz HIRNMLIBQYNOEF-SWLSCSKDSA-N 1 0 333.394 4.250 20 10 EICDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220876 1048688594 /nfs/dbraw/zinc/68/85/94/1048688594.db2.gz GGKLKOCMHYMGOF-UXIGCNINSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@H]([NH2+]CCc1cscn1)c1ccc(C(F)(F)F)cc1O ZINC000810223066 1048689925 /nfs/dbraw/zinc/68/99/25/1048689925.db2.gz HHEUJPOHSJOTKL-ZDUSSCGKSA-N 1 0 330.375 4.151 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810224651 1048692214 /nfs/dbraw/zinc/69/22/14/1048692214.db2.gz XARGMUYPEYPEMU-HUBLWGQQSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810223498 1048692942 /nfs/dbraw/zinc/69/29/42/1048692942.db2.gz MKXHKQZWRKWMDN-IAQYHMDHSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+]CCc1ccncc1C)c1ccc(C(F)(F)F)cc1O ZINC000810228852 1048696140 /nfs/dbraw/zinc/69/61/40/1048696140.db2.gz MNUGACZMNDHLKA-INIZCTEOSA-N 1 0 338.373 4.398 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C(F)(F)F)cc1O ZINC000810207617 1048704040 /nfs/dbraw/zinc/70/40/40/1048704040.db2.gz MMELWZGCMDZPDE-HNNXBMFYSA-N 1 0 349.356 4.300 20 10 EICDRO CCC[C@H](Cc1ccccc1)[N@H+](CCC)Cc1c(O)cc(O)cc1O ZINC001144516204 1048710947 /nfs/dbraw/zinc/71/09/47/1048710947.db2.gz SYVCDJSUQHGGTP-QGZVFWFLSA-N 1 0 343.467 4.427 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1F)c1ccc(C(F)(F)F)cc1O ZINC000810238161 1048719201 /nfs/dbraw/zinc/71/92/01/1048719201.db2.gz NLEYQBMFEWCHRK-CYBMUJFWSA-N 1 0 328.309 4.186 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)OCCc3sccc32)c2c1c(F)ccc2O ZINC000810252789 1048729567 /nfs/dbraw/zinc/72/95/67/1048729567.db2.gz JGBQVMCONUEACJ-FRGNPEFRSA-N 1 0 347.455 4.219 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)nc1 ZINC000845998702 1048781291 /nfs/dbraw/zinc/78/12/91/1048781291.db2.gz QHWSOHIWVWHUON-UHFFFAOYSA-N 1 0 348.446 4.329 20 10 EICDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000846016876 1048786947 /nfs/dbraw/zinc/78/69/47/1048786947.db2.gz KEVLLNZUBGAVMX-KKSFZXQISA-N 1 0 342.458 4.028 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051602 1048806887 /nfs/dbraw/zinc/80/68/87/1048806887.db2.gz HBJCACMIKWFTFK-SJCJKPOMSA-N 1 0 345.414 4.493 20 10 EICDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cc(F)ccc2O1 ZINC000846052057 1048807700 /nfs/dbraw/zinc/80/77/00/1048807700.db2.gz JYBFBBCIASOJPH-QGZVFWFLSA-N 1 0 327.399 4.153 20 10 EICDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000846084200 1048810923 /nfs/dbraw/zinc/81/09/23/1048810923.db2.gz VOZNTPBBWXHNIX-ROUUACIJSA-N 1 0 339.435 4.052 20 10 EICDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513119 1048822714 /nfs/dbraw/zinc/82/27/14/1048822714.db2.gz HHVKVYHUXCOAPR-NRFANRHFSA-N 1 0 333.431 4.427 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCOc2ccccc2C(C)C)c1O ZINC000846150797 1048823256 /nfs/dbraw/zinc/82/32/56/1048823256.db2.gz OZYDHFCLDRZNGT-HNNXBMFYSA-N 1 0 329.440 4.254 20 10 EICDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846149484 1048823927 /nfs/dbraw/zinc/82/39/27/1048823927.db2.gz NSTDFXUJDRKTLO-CQSZACIVSA-N 1 0 329.440 4.038 20 10 EICDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846156767 1048824724 /nfs/dbraw/zinc/82/47/24/1048824724.db2.gz YBLUTGQGXYMWRT-KGLIPLIRSA-N 1 0 339.439 4.182 20 10 EICDRO Oc1c(C[NH2+]Cc2ccccc2Cn2ccnc2)ccc2ccccc21 ZINC000816534117 1048825363 /nfs/dbraw/zinc/82/53/63/1048825363.db2.gz XGEANPFWBDCEKZ-UHFFFAOYSA-N 1 0 343.430 4.080 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1O ZINC000846158197 1048825986 /nfs/dbraw/zinc/82/59/86/1048825986.db2.gz UQFVVSWKRJTDDB-TXPKVOOTSA-N 1 0 341.451 4.219 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000846167119 1048826630 /nfs/dbraw/zinc/82/66/30/1048826630.db2.gz GSEXLCCRVJGVAJ-DTWKUNHWSA-N 1 0 346.374 4.288 20 10 EICDRO Oc1c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)ccc2ccccc12 ZINC000816544952 1048826943 /nfs/dbraw/zinc/82/69/43/1048826943.db2.gz YELXQVBVIRHKDA-UHFFFAOYSA-N 1 0 334.394 4.498 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3s2)c1O ZINC000846144303 1048831982 /nfs/dbraw/zinc/83/19/82/1048831982.db2.gz KHNOPYPUZNWDST-NEPJUHHUSA-N 1 0 328.437 4.422 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)C2CCOCC2)c1O ZINC000846143379 1048832153 /nfs/dbraw/zinc/83/21/53/1048832153.db2.gz FCLXCVJQNANVFR-MGPUTAFESA-N 1 0 341.451 4.219 20 10 EICDRO OCC1(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000846209919 1048834364 /nfs/dbraw/zinc/83/43/64/1048834364.db2.gz IVMWGDODOGYZHN-FQEVSTJZSA-N 1 0 339.479 4.208 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cc1 ZINC000846181503 1048835986 /nfs/dbraw/zinc/83/59/86/1048835986.db2.gz BOINGSSGLGEAGI-BXTJHSDWSA-N 1 0 330.447 4.055 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1cc(Cl)ccc1O ZINC000846183464 1048837062 /nfs/dbraw/zinc/83/70/62/1048837062.db2.gz OKYDGAFPVJYBJE-VOZBZGINSA-N 1 0 337.822 4.348 20 10 EICDRO OCC1(c2ccccc2)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816624965 1048839446 /nfs/dbraw/zinc/83/94/46/1048839446.db2.gz MVFKFOOZBDFOSX-UHFFFAOYSA-N 1 0 347.458 4.072 20 10 EICDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2cc(F)ccc2O1 ZINC000846201389 1048841880 /nfs/dbraw/zinc/84/18/80/1048841880.db2.gz LUEHQJHJWJNQED-HZPDHXFCSA-N 1 0 327.399 4.411 20 10 EICDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccc(Cl)cc1 ZINC000816611939 1048844137 /nfs/dbraw/zinc/84/41/37/1048844137.db2.gz BFRSYLYIXBXDPP-KRWDZBQOSA-N 1 0 341.838 4.065 20 10 EICDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000816645408 1048847275 /nfs/dbraw/zinc/84/72/75/1048847275.db2.gz VAJBGYGWQPPVKA-UHFFFAOYSA-N 1 0 346.515 4.042 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657407 1048848744 /nfs/dbraw/zinc/84/87/44/1048848744.db2.gz RBNMQDACWQXYIE-JOCHJYFZSA-N 1 0 349.474 4.450 20 10 EICDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000772954161 1048907931 /nfs/dbraw/zinc/90/79/31/1048907931.db2.gz WVYGHSFPAQXLFR-ROUUACIJSA-N 1 0 326.488 4.003 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cc(Br)ccc1O ZINC000817586793 1049017733 /nfs/dbraw/zinc/01/77/33/1049017733.db2.gz SGXIZZYSARZBBU-UMVBOHGHSA-N 1 0 342.277 4.153 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc(C)n1 ZINC000817590000 1049019055 /nfs/dbraw/zinc/01/90/55/1049019055.db2.gz SDEXEAPUZBSIRX-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc(C)n1 ZINC000817590117 1049019638 /nfs/dbraw/zinc/01/96/38/1049019638.db2.gz TYUMSCLLICPUBG-ZDUSSCGKSA-N 1 0 349.272 4.326 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947162 1049063502 /nfs/dbraw/zinc/06/35/02/1049063502.db2.gz LXRTUFHBZBKVPL-SUNKGSAMSA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1Br ZINC000817955723 1049067825 /nfs/dbraw/zinc/06/78/25/1049067825.db2.gz GEMDBGTVZAQVCZ-LLVKDONJSA-N 1 0 337.236 4.064 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000817968110 1049071694 /nfs/dbraw/zinc/07/16/94/1049071694.db2.gz PDCCCJVTRBPQAN-SSKCKEOISA-N 1 0 326.415 4.329 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c(O)c1 ZINC000817975085 1049075344 /nfs/dbraw/zinc/07/53/44/1049075344.db2.gz IIZJCPDIGIMAHY-SUMWQHHRSA-N 1 0 326.440 4.236 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984816 1049077408 /nfs/dbraw/zinc/07/74/08/1049077408.db2.gz ANNMXHGZXNTRDA-GHMZBOCLSA-N 1 0 329.271 4.024 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811519457 1049108458 /nfs/dbraw/zinc/10/84/58/1049108458.db2.gz XWTNQVGETYERRW-WOJBJXKFSA-N 1 0 328.500 4.066 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(F)c3F)C2)cc1 ZINC000818342152 1049134697 /nfs/dbraw/zinc/13/46/97/1049134697.db2.gz MOWKLUIFKQPVQC-HUUCEWRRSA-N 1 0 346.421 4.151 20 10 EICDRO CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccn1 ZINC000818341629 1049135072 /nfs/dbraw/zinc/13/50/72/1049135072.db2.gz CBPCZDDIIHTWQN-XLIONFOSSA-N 1 0 339.483 4.048 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccsc1 ZINC000818342843 1049136384 /nfs/dbraw/zinc/13/63/84/1049136384.db2.gz VWIKYBMHEYJMIS-DNVCBOLYSA-N 1 0 330.497 4.324 20 10 EICDRO C[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCC1(F)F ZINC000811780083 1049263481 /nfs/dbraw/zinc/26/34/81/1049263481.db2.gz VGIPFMCZMQINIL-LBPRGKRZSA-N 1 0 335.394 4.494 20 10 EICDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781163 1049264117 /nfs/dbraw/zinc/26/41/17/1049264117.db2.gz ZFQIASWOEGPDNC-IEBWSBKVSA-N 1 0 347.499 4.088 20 10 EICDRO CC(C)[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@H]1CCOC1 ZINC000812290220 1049415185 /nfs/dbraw/zinc/41/51/85/1049415185.db2.gz BJEHUHUCOFTUOI-HNNXBMFYSA-N 1 0 325.408 4.291 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(N(C)C)cc1 ZINC001171349291 1049501618 /nfs/dbraw/zinc/50/16/18/1049501618.db2.gz HWWZZGMIFXGVAK-SUMWQHHRSA-N 1 0 330.422 4.239 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000773045972 1049551334 /nfs/dbraw/zinc/55/13/34/1049551334.db2.gz KMAADUCFDQYWHF-MDOVXXIYSA-N 1 0 330.447 4.055 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000773045969 1049552025 /nfs/dbraw/zinc/55/20/25/1049552025.db2.gz KMAADUCFDQYWHF-AUSJPIAWSA-N 1 0 330.447 4.055 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000812735232 1049554877 /nfs/dbraw/zinc/55/48/77/1049554877.db2.gz YFBDQLFGDWJAJD-HOCLYGCPSA-N 1 0 331.378 4.267 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(O)c1C ZINC000812735645 1049555015 /nfs/dbraw/zinc/55/50/15/1049555015.db2.gz DVSFTBJNCZLYOL-DLBZAZTESA-N 1 0 342.458 4.325 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cc(Cl)ccc1O ZINC000812736916 1049557087 /nfs/dbraw/zinc/55/70/87/1049557087.db2.gz PYOXHWWSKPLXRN-ZIAGYGMSSA-N 1 0 348.849 4.362 20 10 EICDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000773131217 1049598344 /nfs/dbraw/zinc/59/83/44/1049598344.db2.gz KYNPELFFBJCKHO-AWEZNQCLSA-N 1 0 331.529 4.400 20 10 EICDRO Oc1ccccc1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCCO1 ZINC000812829845 1049601697 /nfs/dbraw/zinc/60/16/97/1049601697.db2.gz NXEMXSXSBBPKFP-HBMCJLEFSA-N 1 0 337.463 4.177 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000237575209 1049630577 /nfs/dbraw/zinc/63/05/77/1049630577.db2.gz CTNDBVCRZLUGEJ-QGZVFWFLSA-N 1 0 326.509 4.133 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000179901997 1049787513 /nfs/dbraw/zinc/78/75/13/1049787513.db2.gz ZTAFPDQQAJRLFR-QFYYESIMSA-N 1 0 326.223 4.083 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000813791715 1049817946 /nfs/dbraw/zinc/81/79/46/1049817946.db2.gz ITXTVEUDJIXPAL-UHFFFAOYSA-N 1 0 341.455 4.466 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000813884708 1049831658 /nfs/dbraw/zinc/83/16/58/1049831658.db2.gz KYDNOEOHPMQALM-KSMMKXTCSA-N 1 0 330.497 4.167 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1F ZINC000823843038 1049880348 /nfs/dbraw/zinc/88/03/48/1049880348.db2.gz VRINFMMYPKCAAD-UHFFFAOYSA-N 1 0 327.403 4.103 20 10 EICDRO CCC1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCOCC1 ZINC000824108756 1049897293 /nfs/dbraw/zinc/89/72/93/1049897293.db2.gz SQTALESIOAJEQV-UHFFFAOYSA-N 1 0 344.524 4.433 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325907 1050098862 /nfs/dbraw/zinc/09/88/62/1050098862.db2.gz VRMNMOLDAKYVJV-LIRRHRJNSA-N 1 0 328.431 4.456 20 10 EICDRO CC(C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)Nc1ccccc1 ZINC001177186475 1050166971 /nfs/dbraw/zinc/16/69/71/1050166971.db2.gz QYRFUEWCGYOECE-LJQANCHMSA-N 1 0 347.453 4.257 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483281 1050222254 /nfs/dbraw/zinc/22/22/54/1050222254.db2.gz LJOWZHASXHETTM-BOYDRYHPSA-N 1 0 340.442 4.408 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)COc2cccc(F)c2)cc1 ZINC001177446308 1050223941 /nfs/dbraw/zinc/22/39/41/1050223941.db2.gz HUQOLVONWPJBFU-INIZCTEOSA-N 1 0 330.447 4.229 20 10 EICDRO COc1cccc2c1CCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC001177804097 1050305811 /nfs/dbraw/zinc/30/58/11/1050305811.db2.gz KLYLYLYVMFKTLH-IBGZPJMESA-N 1 0 338.495 4.107 20 10 EICDRO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001177804858 1050307747 /nfs/dbraw/zinc/30/77/47/1050307747.db2.gz UVMPGINRMVJOPO-UHFFFAOYSA-N 1 0 332.875 4.403 20 10 EICDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000069716538 1050314427 /nfs/dbraw/zinc/31/44/27/1050314427.db2.gz IUADUXRAYBNYCQ-BEFAXECRSA-N 1 0 342.508 4.246 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893758 1050322608 /nfs/dbraw/zinc/32/26/08/1050322608.db2.gz NLHMZLHDWLRJKG-CPSHHHPTSA-N 1 0 335.495 4.024 20 10 EICDRO CCCCO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1(C)C ZINC001177962601 1050332570 /nfs/dbraw/zinc/33/25/70/1050332570.db2.gz RQAICKGZMOGJFO-PXNYIJGASA-N 1 0 330.516 4.339 20 10 EICDRO CCO[C@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CCCC1 ZINC001177972258 1050335105 /nfs/dbraw/zinc/33/51/05/1050335105.db2.gz FZPWGSTUVPMMQY-GIWCCYDRSA-N 1 0 330.516 4.341 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CCc2ccncc2C)cc1 ZINC001178212812 1050406505 /nfs/dbraw/zinc/40/65/05/1050406505.db2.gz MOFNQRRIKOLDBF-UHFFFAOYSA-N 1 0 325.500 4.349 20 10 EICDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000773733126 1050415856 /nfs/dbraw/zinc/41/58/56/1050415856.db2.gz GZMAMWATFDUKIS-UHFFFAOYSA-N 1 0 344.886 4.117 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)cc1 ZINC001178375062 1050448808 /nfs/dbraw/zinc/44/88/08/1050448808.db2.gz XFBQFVNMZOGFEJ-CRAIPNDOSA-N 1 0 332.513 4.196 20 10 EICDRO COc1cc(C[NH2+]CCc2ccc(F)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC001178505241 1050485551 /nfs/dbraw/zinc/48/55/51/1050485551.db2.gz OVYPYLDBCWGLRA-UHFFFAOYSA-N 1 0 349.421 4.309 20 10 EICDRO CN(C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566309 1050508155 /nfs/dbraw/zinc/50/81/55/1050508155.db2.gz XGTLNXKBSLLCEP-LJQANCHMSA-N 1 0 344.886 4.058 20 10 EICDRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccccc1O ZINC000775130571 1050576743 /nfs/dbraw/zinc/57/67/43/1050576743.db2.gz MCEUSIHWVBNTMV-LBPRGKRZSA-N 1 0 325.330 4.141 20 10 EICDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(C[NH3+])cc1 ZINC000775140304 1050605157 /nfs/dbraw/zinc/60/51/57/1050605157.db2.gz LKKIABSBJCJHQK-UHFFFAOYSA-N 1 0 333.819 4.124 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(C[NH3+])cc1 ZINC000775141180 1050607433 /nfs/dbraw/zinc/60/74/33/1050607433.db2.gz XUXWRTQQSQRCHN-UHFFFAOYSA-N 1 0 338.430 4.091 20 10 EICDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000775140977 1050607611 /nfs/dbraw/zinc/60/76/11/1050607611.db2.gz RWCJJKSVQYSBJQ-INIZCTEOSA-N 1 0 342.483 4.097 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001179044654 1050613494 /nfs/dbraw/zinc/61/34/94/1050613494.db2.gz MCKCNBLHOBTZKD-VXKWHMMOSA-N 1 0 343.559 4.420 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(C3CCCC3)n2)c1 ZINC000182368231 1050629431 /nfs/dbraw/zinc/62/94/31/1050629431.db2.gz CNWZNFQVABYPNC-LBPRGKRZSA-N 1 0 332.469 4.366 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000182382694 1050637966 /nfs/dbraw/zinc/63/79/66/1050637966.db2.gz FBVAALKNUNPPRM-OAHLLOKOSA-N 1 0 341.451 4.379 20 10 EICDRO CC[N@H+](Cc1ccc(Br)cc1O)[C@H](C)c1cccnc1 ZINC000825934508 1050639175 /nfs/dbraw/zinc/63/91/75/1050639175.db2.gz JUBQGCWCQNFMLR-GFCCVEGCSA-N 1 0 335.245 4.133 20 10 EICDRO COc1ccc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c(O)c1OC ZINC001179892365 1050804664 /nfs/dbraw/zinc/80/46/64/1050804664.db2.gz DVHZGSOWSNSGIQ-GOSISDBHSA-N 1 0 329.440 4.239 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1O ZINC001179878251 1050814473 /nfs/dbraw/zinc/81/44/73/1050814473.db2.gz NQAMFEXPNHZZAE-QFBILLFUSA-N 1 0 325.452 4.335 20 10 EICDRO CCc1ccc(N2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)cc1 ZINC001179909021 1050831367 /nfs/dbraw/zinc/83/13/67/1050831367.db2.gz APICUJUWKFXMLW-UHFFFAOYSA-N 1 0 344.886 4.239 20 10 EICDRO CCCOc1ccc2c(c1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001179980965 1050840138 /nfs/dbraw/zinc/84/01/38/1050840138.db2.gz VJAOCTVKFKUMEE-UHFFFAOYSA-N 1 0 333.378 4.018 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001179963295 1050849765 /nfs/dbraw/zinc/84/97/65/1050849765.db2.gz YOOPGFJURSRRRC-UHFFFAOYSA-N 1 0 335.403 4.219 20 10 EICDRO Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c(O)c1 ZINC001180189713 1050922832 /nfs/dbraw/zinc/92/28/32/1050922832.db2.gz UYNOOJCEUGSRTE-UHFFFAOYSA-N 1 0 349.434 4.130 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC001180318142 1050950258 /nfs/dbraw/zinc/95/02/58/1050950258.db2.gz XIYCVTLKLYVQRB-PXDRNWIDSA-N 1 0 336.479 4.167 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001180674565 1051064059 /nfs/dbraw/zinc/06/40/59/1051064059.db2.gz VDCQMYKJNLAEAY-AATRIKPKSA-N 1 0 339.439 4.199 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCCC(=O)OC(C)(C)C ZINC001180821158 1051085577 /nfs/dbraw/zinc/08/55/77/1051085577.db2.gz WDGRCHAVMUHNGK-UHFFFAOYSA-N 1 0 334.504 4.053 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000183421473 1051116615 /nfs/dbraw/zinc/11/66/15/1051116615.db2.gz UNQUMBBENRJMAS-MSOLQXFVSA-N 1 0 338.495 4.475 20 10 EICDRO CCOc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001204145463 1051119504 /nfs/dbraw/zinc/11/95/04/1051119504.db2.gz NSEXHEJRLPQCLK-UHFFFAOYSA-N 1 0 332.875 4.437 20 10 EICDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000183466599 1051130900 /nfs/dbraw/zinc/13/09/00/1051130900.db2.gz LLOVQAHOFLFRLS-UONOGXRCSA-N 1 0 339.414 4.437 20 10 EICDRO CN(C)c1ccc(/C=C/CN(C)C(C)(C)C[NH+]2CCCCCC2)cc1 ZINC001181053317 1051135359 /nfs/dbraw/zinc/13/53/59/1051135359.db2.gz AJWKGWUNXZUZGD-ZHACJKMWSA-N 1 0 343.559 4.352 20 10 EICDRO C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000183504334 1051137114 /nfs/dbraw/zinc/13/71/14/1051137114.db2.gz HPLHTCLQQNTFER-HOTGVXAUSA-N 1 0 348.487 4.080 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000775370978 1051139712 /nfs/dbraw/zinc/13/97/12/1051139712.db2.gz YPDJIOYDGJGWPG-CYBMUJFWSA-N 1 0 340.448 4.375 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000775369647 1051143247 /nfs/dbraw/zinc/14/32/47/1051143247.db2.gz DSNOPFUEGHBDGM-GFCCVEGCSA-N 1 0 337.872 4.497 20 10 EICDRO CCCN(Cc1ccc(C(=O)OC)c(Cl)c1)c1ccc(C[NH3+])cc1 ZINC001181454828 1051228066 /nfs/dbraw/zinc/22/80/66/1051228066.db2.gz GWFQJKIRCMKGPK-UHFFFAOYSA-N 1 0 346.858 4.002 20 10 EICDRO CCCN(Cc1cc(OCC)c(OC)cc1F)c1ccc(C[NH3+])cc1 ZINC001181457949 1051230418 /nfs/dbraw/zinc/23/04/18/1051230418.db2.gz RRBARLPKAWIRRK-UHFFFAOYSA-N 1 0 346.446 4.108 20 10 EICDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc(Cl)n1 ZINC001181556025 1051251518 /nfs/dbraw/zinc/25/15/18/1051251518.db2.gz RGLBDXHUZZXSMH-UHFFFAOYSA-N 1 0 329.875 4.276 20 10 EICDRO CCN1CC[C@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773431209 1051257328 /nfs/dbraw/zinc/25/73/28/1051257328.db2.gz MHKKZFPQDHOPAM-HKUYNNGSSA-N 1 0 348.849 4.110 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000775416792 1051292412 /nfs/dbraw/zinc/29/24/12/1051292412.db2.gz XWZXJECCZYKMIC-DOTOQJQBSA-N 1 0 340.250 4.473 20 10 EICDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1O ZINC000775422380 1051311515 /nfs/dbraw/zinc/31/15/15/1051311515.db2.gz LVEJSVCPOCPZJD-UHFFFAOYSA-N 1 0 333.790 4.166 20 10 EICDRO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954628 1051322430 /nfs/dbraw/zinc/32/24/30/1051322430.db2.gz KIUQQQSIIFGNMS-FQEVSTJZSA-N 1 0 326.509 4.351 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC001191048686 1051349231 /nfs/dbraw/zinc/34/92/31/1051349231.db2.gz RCLXKVQMMOPAAD-CQSZACIVSA-N 1 0 347.817 4.377 20 10 EICDRO COc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC001182227514 1051427636 /nfs/dbraw/zinc/42/76/36/1051427636.db2.gz ONXDYENYZKXUPQ-UHFFFAOYSA-N 1 0 345.405 4.473 20 10 EICDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775489498 1051580117 /nfs/dbraw/zinc/58/01/17/1051580117.db2.gz QOMKRIYETCWGDZ-CABCVRRESA-N 1 0 344.421 4.295 20 10 EICDRO CC[C@H]([NH2+][C@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000775496226 1051598910 /nfs/dbraw/zinc/59/89/10/1051598910.db2.gz IABWOCJOMMTNQV-PBHICJAKSA-N 1 0 327.424 4.183 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493486 1051604056 /nfs/dbraw/zinc/60/40/56/1051604056.db2.gz TVTZBEYMFKIOOB-RDJZCZTQSA-N 1 0 335.879 4.398 20 10 EICDRO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Cl)ccc1O ZINC000775498011 1051617489 /nfs/dbraw/zinc/61/74/89/1051617489.db2.gz VXCVWSOBIJVIPO-OAHLLOKOSA-N 1 0 329.831 4.136 20 10 EICDRO CCOc1c(OC)cc(C[NH2+][C@H](CC)c2ccccc2O)cc1OC ZINC000775499649 1051623675 /nfs/dbraw/zinc/62/36/75/1051623675.db2.gz LMQSQRURFBLUCJ-MRXNPFEDSA-N 1 0 345.439 4.049 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1O ZINC000775508554 1051640105 /nfs/dbraw/zinc/64/01/05/1051640105.db2.gz VQJQHGZCWGQILZ-NVXWUHKLSA-N 1 0 331.847 4.262 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1cc(Cl)ccc1O ZINC000775504053 1051644811 /nfs/dbraw/zinc/64/48/11/1051644811.db2.gz QVIYBBJVRAOTSE-INIZCTEOSA-N 1 0 329.831 4.243 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1O ZINC000775509144 1051648623 /nfs/dbraw/zinc/64/86/23/1051648623.db2.gz ZSXGZZJKYBTIDY-UYAOXDASSA-N 1 0 327.468 4.464 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Br)ccc1O ZINC000775513463 1051650670 /nfs/dbraw/zinc/65/06/70/1051650670.db2.gz ZLRPZDOXBFZSHP-LRDDRELGSA-N 1 0 349.272 4.394 20 10 EICDRO CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cc(Cl)ccc1O ZINC000775513559 1051651899 /nfs/dbraw/zinc/65/18/99/1051651899.db2.gz RGHDZLFBARQTOP-MRXNPFEDSA-N 1 0 325.880 4.419 20 10 EICDRO COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001182764271 1051691036 /nfs/dbraw/zinc/69/10/36/1051691036.db2.gz MIUVTLLGACAAIM-GOSISDBHSA-N 1 0 329.415 4.137 20 10 EICDRO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cc(Cl)ccc1O ZINC000775523129 1051691718 /nfs/dbraw/zinc/69/17/18/1051691718.db2.gz GZLBRIUVWRIREP-AWEZNQCLSA-N 1 0 347.821 4.312 20 10 EICDRO Oc1ccccc1C[N@H+](CCCc1ccccc1)C[C@@H]1CCCO1 ZINC000071809386 1051699339 /nfs/dbraw/zinc/69/93/39/1051699339.db2.gz DTPZJTBYRFDKKF-FQEVSTJZSA-N 1 0 325.452 4.006 20 10 EICDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775523775 1051700126 /nfs/dbraw/zinc/70/01/26/1051700126.db2.gz NHGRARGZLLKTLR-OAHLLOKOSA-N 1 0 335.879 4.145 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)[C@H](O)c1c(F)cccc1F ZINC000775524529 1051709612 /nfs/dbraw/zinc/70/96/12/1051709612.db2.gz BJZMKVSPHWTXMN-FCEWJHQRSA-N 1 0 335.394 4.223 20 10 EICDRO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(O)c1 ZINC001182901711 1051736586 /nfs/dbraw/zinc/73/65/86/1051736586.db2.gz GOIYAWNFGMLBMI-NRFANRHFSA-N 1 0 338.495 4.043 20 10 EICDRO CCOc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)cc1OC ZINC001204361718 1051761571 /nfs/dbraw/zinc/76/15/71/1051761571.db2.gz KLGIAMPIUSQCKP-UHFFFAOYSA-N 1 0 342.483 4.182 20 10 EICDRO CO[C@@H](C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C)CC(C)C ZINC001183179215 1051802013 /nfs/dbraw/zinc/80/20/13/1051802013.db2.gz BHFBZHOGXYLFFJ-OAQYLSRUSA-N 1 0 328.500 4.287 20 10 EICDRO CC[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1O ZINC000775555494 1051839560 /nfs/dbraw/zinc/83/95/60/1051839560.db2.gz XBYDFBAINMDYDM-GOSISDBHSA-N 1 0 326.415 4.306 20 10 EICDRO CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1O ZINC000775555849 1051839812 /nfs/dbraw/zinc/83/98/12/1051839812.db2.gz RFWUAGZZXGJYCJ-HNNXBMFYSA-N 1 0 329.831 4.173 20 10 EICDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183787440 1051897657 /nfs/dbraw/zinc/89/76/57/1051897657.db2.gz AAVQFQMTBKFEMW-MRXNPFEDSA-N 1 0 330.422 4.329 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798521 1051901106 /nfs/dbraw/zinc/90/11/06/1051901106.db2.gz FPCNPAUOPDCJRG-QDLOVBKTSA-N 1 0 342.380 4.132 20 10 EICDRO Cc1cnc(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)s1 ZINC000763673065 1051901003 /nfs/dbraw/zinc/90/10/03/1051901003.db2.gz GNEXZIPLDOEVHM-UHFFFAOYSA-N 1 0 333.476 4.036 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1O ZINC001184389202 1052001141 /nfs/dbraw/zinc/00/11/41/1052001141.db2.gz WJEOLBXNYJPHHB-BBRMVZONSA-N 1 0 338.289 4.379 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1O ZINC001184389204 1052002005 /nfs/dbraw/zinc/00/20/05/1052002005.db2.gz WJEOLBXNYJPHHB-CJNGLKHVSA-N 1 0 338.289 4.379 20 10 EICDRO Cc1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccc1N1CCCCC1 ZINC001194306138 1052123247 /nfs/dbraw/zinc/12/32/47/1052123247.db2.gz FTNIXUCUJGMXJM-FQEVSTJZSA-N 1 0 330.516 4.112 20 10 EICDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000774823139 1052170015 /nfs/dbraw/zinc/17/00/15/1052170015.db2.gz GTCCKNVKPYBNSA-GFCCVEGCSA-N 1 0 347.842 4.416 20 10 EICDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000774823141 1052171026 /nfs/dbraw/zinc/17/10/26/1052171026.db2.gz GTCCKNVKPYBNSA-LBPRGKRZSA-N 1 0 347.842 4.416 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2OC2CCCC2)c(O)c1 ZINC000185010442 1052360119 /nfs/dbraw/zinc/36/01/19/1052360119.db2.gz ARELVVIBPWHIHF-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc2ccccc2c1O ZINC000185026939 1052366438 /nfs/dbraw/zinc/36/64/38/1052366438.db2.gz KJUQITVZABELDM-CYBMUJFWSA-N 1 0 340.389 4.080 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000185128881 1052449354 /nfs/dbraw/zinc/44/93/54/1052449354.db2.gz RCRLSYUOCSHIIH-CVEARBPZSA-N 1 0 328.431 4.017 20 10 EICDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000185147521 1052478458 /nfs/dbraw/zinc/47/84/58/1052478458.db2.gz VNFVRVNBDZRFMJ-HNNXBMFYSA-N 1 0 329.440 4.001 20 10 EICDRO Cc1cccc2nc(C[NH2+][C@H](C)c3cc4c(cc3O)CCCC4)cn21 ZINC000185412618 1052598133 /nfs/dbraw/zinc/59/81/33/1052598133.db2.gz YVMIMVCHNCJLHP-OAHLLOKOSA-N 1 0 335.451 4.078 20 10 EICDRO COCc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)ccc1F ZINC000185495756 1052615946 /nfs/dbraw/zinc/61/59/46/1052615946.db2.gz RLQFHSQPJXFLHZ-CQSZACIVSA-N 1 0 343.442 4.407 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000185658487 1052666652 /nfs/dbraw/zinc/66/66/52/1052666652.db2.gz UJPPULHSMWNBEM-WSTZPKSXSA-N 1 0 338.495 4.404 20 10 EICDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2ccccc2c1O ZINC000186080216 1052864514 /nfs/dbraw/zinc/86/45/14/1052864514.db2.gz YDLOQKACEHCUNZ-OAHLLOKOSA-N 1 0 332.403 4.147 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccncc1 ZINC000850155840 1053080531 /nfs/dbraw/zinc/08/05/31/1053080531.db2.gz BDRJWVALDKHIFY-GOSISDBHSA-N 1 0 328.456 4.334 20 10 EICDRO COc1cc(C[NH2+]Cc2sc(C)nc2C)c(O)c(C(C)(C)C)c1 ZINC000850159109 1053080875 /nfs/dbraw/zinc/08/08/75/1053080875.db2.gz ANSLVDKRRYISKM-UHFFFAOYSA-N 1 0 334.485 4.061 20 10 EICDRO COc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000850195528 1053083674 /nfs/dbraw/zinc/08/36/74/1053083674.db2.gz DLASEFCVSISESN-CYBMUJFWSA-N 1 0 327.415 4.366 20 10 EICDRO COCC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccco1 ZINC000850241141 1053096975 /nfs/dbraw/zinc/09/69/75/1053096975.db2.gz UNOOGKLSNAITNL-KRWDZBQOSA-N 1 0 347.455 4.159 20 10 EICDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000850252957 1053098722 /nfs/dbraw/zinc/09/87/22/1053098722.db2.gz YOWKECBWHDNHLA-SJORKVTESA-N 1 0 342.483 4.017 20 10 EICDRO Cc1c(Br)cncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000850251765 1053100098 /nfs/dbraw/zinc/10/00/98/1053100098.db2.gz FTUHGNIUCPYBKI-CYBMUJFWSA-N 1 0 348.288 4.069 20 10 EICDRO COc1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000850315651 1053111905 /nfs/dbraw/zinc/11/19/05/1053111905.db2.gz ICWNUWCPCAOEOB-OAHLLOKOSA-N 1 0 347.499 4.137 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654575 1053253163 /nfs/dbraw/zinc/25/31/63/1053253163.db2.gz DHGQHVFIPKOXPZ-BDJLRTHQSA-N 1 0 339.357 4.327 20 10 EICDRO CC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1ccc(N(C)C)cc1 ZINC000850505082 1053264924 /nfs/dbraw/zinc/26/49/24/1053264924.db2.gz MGDVZIGSLHTYDW-SFHVURJKSA-N 1 0 328.456 4.011 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)c1cccc(OC)c1 ZINC000850513009 1053271200 /nfs/dbraw/zinc/27/12/00/1053271200.db2.gz CFBLQAVSAGRIRJ-UGSOOPFHSA-N 1 0 349.858 4.401 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cccc2nccn21)C1CCCCC1 ZINC000775637527 1053274176 /nfs/dbraw/zinc/27/41/76/1053274176.db2.gz PZNQEZYPORBJFB-UHFFFAOYSA-N 1 0 335.451 4.375 20 10 EICDRO COCc1csc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000850532922 1053297285 /nfs/dbraw/zinc/29/72/85/1053297285.db2.gz PCPBCMCLSSRFJV-NSHDSACASA-N 1 0 325.861 4.413 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(Br)cc1O ZINC000850542798 1053303935 /nfs/dbraw/zinc/30/39/35/1053303935.db2.gz CCVAFDCQFWMEDC-QLJPJBMISA-N 1 0 348.240 4.198 20 10 EICDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764774777 1053307465 /nfs/dbraw/zinc/30/74/65/1053307465.db2.gz RCQNHEASCVBRCR-GJZGRUSLSA-N 1 0 348.874 4.051 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000850565882 1053319319 /nfs/dbraw/zinc/31/93/19/1053319319.db2.gz IXNOAQHLCWFKNZ-OAQYLSRUSA-N 1 0 342.458 4.028 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000850569569 1053322919 /nfs/dbraw/zinc/32/29/19/1053322919.db2.gz JFUUVZDFLGMLJO-NSHDSACASA-N 1 0 325.330 4.292 20 10 EICDRO CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000764816786 1053324189 /nfs/dbraw/zinc/32/41/89/1053324189.db2.gz CBIBUHZBXLEYBJ-JOCHJYFZSA-N 1 0 348.494 4.222 20 10 EICDRO CC(C)[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000775651262 1053379329 /nfs/dbraw/zinc/37/93/29/1053379329.db2.gz LELBWEZJPNCZJI-UHFFFAOYSA-N 1 0 342.531 4.194 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C)cc1O ZINC000794800983 1053385412 /nfs/dbraw/zinc/38/54/12/1053385412.db2.gz HHBNAYGNQLSDKH-GOSISDBHSA-N 1 0 336.435 4.498 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c(O)c1 ZINC000776499317 1053385344 /nfs/dbraw/zinc/38/53/44/1053385344.db2.gz ULUFHLUPKPGJAR-QGZVFWFLSA-N 1 0 347.842 4.448 20 10 EICDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCCC2)cc1 ZINC000764967900 1053401598 /nfs/dbraw/zinc/40/15/98/1053401598.db2.gz YXCRQTJVCARWFX-YUXAGFNASA-N 1 0 341.543 4.344 20 10 EICDRO CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805665 1053408616 /nfs/dbraw/zinc/40/86/16/1053408616.db2.gz YKBSQEXBELIKPA-PMACEKPBSA-N 1 0 349.478 4.459 20 10 EICDRO CC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(C)cc1O ZINC000794809651 1053416355 /nfs/dbraw/zinc/41/63/55/1053416355.db2.gz HGQQPTZCOMOWHW-MRXNPFEDSA-N 1 0 341.430 4.010 20 10 EICDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1ccc(F)cc1 ZINC000775657915 1053416831 /nfs/dbraw/zinc/41/68/31/1053416831.db2.gz CJKJWYGAPLXMBZ-CYBMUJFWSA-N 1 0 333.403 4.132 20 10 EICDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775659349 1053417791 /nfs/dbraw/zinc/41/77/91/1053417791.db2.gz WCJOMQDYHRRKPV-XJKCOSOUSA-N 1 0 340.870 4.022 20 10 EICDRO CC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1O ZINC000794813988 1053421806 /nfs/dbraw/zinc/42/18/06/1053421806.db2.gz GFYKFGAOCLMJME-KRWDZBQOSA-N 1 0 337.423 4.034 20 10 EICDRO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1O ZINC000109773234 1053422838 /nfs/dbraw/zinc/42/28/38/1053422838.db2.gz VEDYHGRXQYYIED-UHFFFAOYSA-N 1 0 346.430 4.277 20 10 EICDRO CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816568 1053423870 /nfs/dbraw/zinc/42/38/70/1053423870.db2.gz LOURPKNANSQJQD-MSOLQXFVSA-N 1 0 335.394 4.407 20 10 EICDRO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775664108 1053436239 /nfs/dbraw/zinc/43/62/39/1053436239.db2.gz SHGCOOUVAAHHHO-IBGZPJMESA-N 1 0 335.451 4.315 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(C)cc1O ZINC000794818690 1053436308 /nfs/dbraw/zinc/43/63/08/1053436308.db2.gz XYENWXGSYNFEAG-XJABCFGWSA-N 1 0 341.495 4.371 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCCOC)Cc1ccccc1)c1ccccc1O ZINC000794822224 1053437700 /nfs/dbraw/zinc/43/77/00/1053437700.db2.gz AZMDOIJSCZRASH-AZUAARDMSA-N 1 0 327.468 4.471 20 10 EICDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765081586 1053438356 /nfs/dbraw/zinc/43/83/56/1053438356.db2.gz RMBHWPMNGRELJD-OAQYLSRUSA-N 1 0 338.520 4.325 20 10 EICDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765080251 1053438417 /nfs/dbraw/zinc/43/84/17/1053438417.db2.gz NCJNXBWMUHQKJS-OAHLLOKOSA-N 1 0 338.586 4.250 20 10 EICDRO CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000765122364 1053448455 /nfs/dbraw/zinc/44/84/55/1053448455.db2.gz FSPRJXCDSHNHLB-LJQANCHMSA-N 1 0 342.483 4.053 20 10 EICDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCCCC2)cc1 ZINC000765260769 1053479005 /nfs/dbraw/zinc/47/90/05/1053479005.db2.gz SFTXPQFGQTWMIJ-GOSISDBHSA-N 1 0 326.488 4.004 20 10 EICDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765255987 1053483144 /nfs/dbraw/zinc/48/31/44/1053483144.db2.gz BYWUNGYCWMSIGP-KRWDZBQOSA-N 1 0 344.478 4.144 20 10 EICDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000765299063 1053496200 /nfs/dbraw/zinc/49/62/00/1053496200.db2.gz ZMNWVIIJDJGULO-LAUBAEHRSA-N 1 0 332.532 4.200 20 10 EICDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435041 1053546089 /nfs/dbraw/zinc/54/60/89/1053546089.db2.gz AHXIEDFTBDOQQG-JHVJFLLYSA-N 1 0 342.458 4.463 20 10 EICDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765443023 1053553983 /nfs/dbraw/zinc/55/39/83/1053553983.db2.gz UTJXEXZBPVAWRJ-ROUUACIJSA-N 1 0 338.499 4.139 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N2CCCCCC2)cc1 ZINC000765443024 1053554048 /nfs/dbraw/zinc/55/40/48/1053554048.db2.gz UTJXEXZBPVAWRJ-ZWKOTPCHSA-N 1 0 338.499 4.139 20 10 EICDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679331 1053554157 /nfs/dbraw/zinc/55/41/57/1053554157.db2.gz XLVSLYWDVMEFBE-SFHVURJKSA-N 1 0 349.434 4.478 20 10 EICDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1O ZINC000775679330 1053554681 /nfs/dbraw/zinc/55/46/81/1053554681.db2.gz XLVSLYWDVMEFBE-GOSISDBHSA-N 1 0 349.434 4.478 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000865653592 1053566228 /nfs/dbraw/zinc/56/62/28/1053566228.db2.gz RQLZANJBPVXGGJ-UHFFFAOYSA-N 1 0 331.359 4.161 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc3cccnc3c2)ccc1OC ZINC000865681444 1053572669 /nfs/dbraw/zinc/57/26/69/1053572669.db2.gz XPXLQXCWXUOCFE-UHFFFAOYSA-N 1 0 336.435 4.070 20 10 EICDRO COc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1C ZINC000120721135 1053588878 /nfs/dbraw/zinc/58/88/78/1053588878.db2.gz BYAPAFQBQOKJIR-UYAOXDASSA-N 1 0 325.452 4.261 20 10 EICDRO Fc1ccc2c(c1)onc2C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865835897 1053605823 /nfs/dbraw/zinc/60/58/23/1053605823.db2.gz IUIBFDVQBRHESY-UHFFFAOYSA-N 1 0 339.414 4.247 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1O ZINC000853240514 1053657559 /nfs/dbraw/zinc/65/75/59/1053657559.db2.gz HNMFNBJNGZHANV-SUMWQHHRSA-N 1 0 337.398 4.055 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735502 1053716049 /nfs/dbraw/zinc/71/60/49/1053716049.db2.gz QFPVAIQYKAQIFD-XJKSGUPXSA-N 1 0 345.439 4.284 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000866407911 1053717564 /nfs/dbraw/zinc/71/75/64/1053717564.db2.gz YTSZGKLZRAEDIN-CVEARBPZSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1O ZINC000866407916 1053717599 /nfs/dbraw/zinc/71/75/99/1053717599.db2.gz YTSZGKLZRAEDIN-JKSUJKDBSA-N 1 0 339.357 4.185 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000866410132 1053719340 /nfs/dbraw/zinc/71/93/40/1053719340.db2.gz WYJVKBQUSOKVIR-PXAZEXFGSA-N 1 0 337.822 4.267 20 10 EICDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866478865 1053742828 /nfs/dbraw/zinc/74/28/28/1053742828.db2.gz MBCPUWVCQYWQAB-HNNXBMFYSA-N 1 0 337.463 4.195 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000866479616 1053747044 /nfs/dbraw/zinc/74/70/44/1053747044.db2.gz WAEYHHQVQZNHJP-CYBMUJFWSA-N 1 0 331.843 4.278 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(N(C)C)cc1 ZINC000866485298 1053750484 /nfs/dbraw/zinc/75/04/84/1053750484.db2.gz OVKKXEKJGKJUMX-DYVFJYSZSA-N 1 0 339.439 4.401 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000121082863 1053752384 /nfs/dbraw/zinc/75/23/84/1053752384.db2.gz RKGCSNFRYBRNMG-WBVHZDCISA-N 1 0 348.487 4.080 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1O ZINC000866542071 1053777530 /nfs/dbraw/zinc/77/75/30/1053777530.db2.gz WFYORXZGOYAQRR-SECBINFHSA-N 1 0 329.293 4.123 20 10 EICDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000765609289 1053802916 /nfs/dbraw/zinc/80/29/16/1053802916.db2.gz XWHXMGLPRPHYBC-YLJYHZDGSA-N 1 0 341.499 4.142 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2noc3cc(F)ccc23)cc1 ZINC000866610410 1053803894 /nfs/dbraw/zinc/80/38/94/1053803894.db2.gz LPXDNQLJDAPIEE-CYBMUJFWSA-N 1 0 327.403 4.274 20 10 EICDRO CC[C@H]([NH2+]Cc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866610042 1053804570 /nfs/dbraw/zinc/80/45/70/1053804570.db2.gz KPJDVEGTNNUTMQ-KRWDZBQOSA-N 1 0 327.403 4.274 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633361 1053812987 /nfs/dbraw/zinc/81/29/87/1053812987.db2.gz UFQUTADXFICDCB-MAUKXSAKSA-N 1 0 342.462 4.198 20 10 EICDRO C[C@@H](CC1CCC1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765640415 1053828179 /nfs/dbraw/zinc/82/81/79/1053828179.db2.gz JYCVUHZEWYUCKS-AWEZNQCLSA-N 1 0 338.442 4.425 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4ccc(C)cc43)CC2)cc1 ZINC000765639195 1053828836 /nfs/dbraw/zinc/82/88/36/1053828836.db2.gz VZZAEJGTICSENY-JOCHJYFZSA-N 1 0 336.479 4.250 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccccc3C)CC2)cc1 ZINC000765639342 1053829640 /nfs/dbraw/zinc/82/96/40/1053829640.db2.gz WUTNBMRZCOHJBF-SFHVURJKSA-N 1 0 338.495 4.193 20 10 EICDRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000123771894 1054273291 /nfs/dbraw/zinc/27/32/91/1054273291.db2.gz HCIVMDYEAZNGGG-GOSISDBHSA-N 1 0 337.511 4.068 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001199046025 1054332702 /nfs/dbraw/zinc/33/27/02/1054332702.db2.gz ZYPUHGPSPYFHFO-UHFFFAOYSA-N 1 0 348.849 4.070 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000186182765 1054377643 /nfs/dbraw/zinc/37/76/43/1054377643.db2.gz RHXVGCBTUPCRIZ-DOTOQJQBSA-N 1 0 348.487 4.080 20 10 EICDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001199321140 1054391780 /nfs/dbraw/zinc/39/17/80/1054391780.db2.gz WAHXJEJPJLTLJA-OKILXGFUSA-N 1 0 342.886 4.032 20 10 EICDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001199376836 1054400614 /nfs/dbraw/zinc/40/06/14/1054400614.db2.gz QJIYBQLMKVYCCL-XLIONFOSSA-N 1 0 330.541 4.322 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc(F)ccc1O ZINC000872131574 1054408639 /nfs/dbraw/zinc/40/86/39/1054408639.db2.gz XINWHILDBLPXIT-VHSXEESVSA-N 1 0 328.309 4.357 20 10 EICDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000858162354 1054428744 /nfs/dbraw/zinc/42/87/44/1054428744.db2.gz XZABRGMQYCTAJF-SNVBAGLBSA-N 1 0 334.204 4.070 20 10 EICDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2Cl)C1 ZINC000858161646 1054429042 /nfs/dbraw/zinc/42/90/42/1054429042.db2.gz CLEBLGPOXJSRBT-AWEZNQCLSA-N 1 0 347.865 4.400 20 10 EICDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1c(O)cccc1Br ZINC000858176309 1054430790 /nfs/dbraw/zinc/43/07/90/1054430790.db2.gz TWJOPUDFBNIZPZ-ZDUSSCGKSA-N 1 0 349.272 4.051 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)COc2cccc(C)c2)cc1 ZINC001199629256 1054434706 /nfs/dbraw/zinc/43/47/06/1054434706.db2.gz DUAKQVNBWFVGFR-SFHVURJKSA-N 1 0 326.484 4.398 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014378 1054439286 /nfs/dbraw/zinc/43/92/86/1054439286.db2.gz PGLMBFNOZPNFOV-IBGZPJMESA-N 1 0 329.827 4.067 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000858239916 1054444562 /nfs/dbraw/zinc/44/45/62/1054444562.db2.gz WKBKERAIZIGLIP-UHFFFAOYSA-N 1 0 344.886 4.108 20 10 EICDRO COC(=O)/C(C)=C/C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012069 1054445696 /nfs/dbraw/zinc/44/56/96/1054445696.db2.gz XUPRCAOSUFBHGT-MAUBAPBLSA-N 1 0 339.435 4.075 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]Cc2ccc[nH]c2=O)c(O)c(C(C)(C)C)c1 ZINC000858304018 1054458737 /nfs/dbraw/zinc/45/87/37/1054458737.db2.gz CFSILTORMCWESI-UHFFFAOYSA-N 1 0 342.483 4.378 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cc1C ZINC000872719867 1054459025 /nfs/dbraw/zinc/45/90/25/1054459025.db2.gz IOKCNZAYMFUFMH-UHFFFAOYSA-N 1 0 341.455 4.039 20 10 EICDRO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(O)ccc3ccccc32)no1 ZINC000872742996 1054461174 /nfs/dbraw/zinc/46/11/74/1054461174.db2.gz AUYUDWFSWXTRRR-ALOPSCKCSA-N 1 0 349.434 4.147 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC001199812090 1054475091 /nfs/dbraw/zinc/47/50/91/1054475091.db2.gz HGEDUSOKVUFNLA-UXHICEINSA-N 1 0 346.421 4.041 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2csc(C(F)(F)F)c2)c1O ZINC000858564910 1054518226 /nfs/dbraw/zinc/51/82/26/1054518226.db2.gz XYOAZQZAFJVZBK-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C(F)(F)F)cc1O ZINC000873290193 1054526273 /nfs/dbraw/zinc/52/62/73/1054526273.db2.gz OTRPHBQKDAXGGT-HNNXBMFYSA-N 1 0 342.336 4.373 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001200879026 1054565997 /nfs/dbraw/zinc/56/59/97/1054565997.db2.gz DAMWLVULNAAAQC-UHFFFAOYSA-N 1 0 340.870 4.071 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)ccc1OC ZINC001200910439 1054569493 /nfs/dbraw/zinc/56/94/93/1054569493.db2.gz FLQJIKRCZWOUCL-HXUWFJFHSA-N 1 0 342.483 4.156 20 10 EICDRO CCCC[C@H](CCC)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001201055875 1054632744 /nfs/dbraw/zinc/63/27/44/1054632744.db2.gz XFOYHJCGDPMUTH-SFHVURJKSA-N 1 0 332.532 4.344 20 10 EICDRO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553191 1054714417 /nfs/dbraw/zinc/71/44/17/1054714417.db2.gz LIIBCHMQMJVUNW-LBPRGKRZSA-N 1 0 331.287 4.053 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)cc1C ZINC000776153613 1054749478 /nfs/dbraw/zinc/74/94/78/1054749478.db2.gz AIUZPLNFLFGMMB-UHFFFAOYSA-N 1 0 334.257 4.364 20 10 EICDRO CC(C)=CCC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001201491488 1054819088 /nfs/dbraw/zinc/81/90/88/1054819088.db2.gz SHOHWMFIHLZEAS-LJQANCHMSA-N 1 0 330.516 4.338 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1C ZINC001201473651 1054826822 /nfs/dbraw/zinc/82/68/22/1054826822.db2.gz UYMQHWXDOCDUAV-DFQSSKMNSA-N 1 0 329.484 4.221 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742407 1054892946 /nfs/dbraw/zinc/89/29/46/1054892946.db2.gz NTQZMQSHRXWGSU-MNKBLEIRSA-N 1 0 340.442 4.408 20 10 EICDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(Cl)c1 ZINC001201890201 1054936442 /nfs/dbraw/zinc/93/64/42/1054936442.db2.gz VNNBPRGYEXOCSN-QGZVFWFLSA-N 1 0 340.250 4.005 20 10 EICDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876630652 1054938860 /nfs/dbraw/zinc/93/88/60/1054938860.db2.gz HMKRPHHNNZSWRF-PHIMTYICSA-N 1 0 341.295 4.263 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1F ZINC001201871882 1054941583 /nfs/dbraw/zinc/94/15/83/1054941583.db2.gz BVTKXXZVSFHUBS-IERDGZPVSA-N 1 0 344.474 4.274 20 10 EICDRO COc1ccc(C[NH2+]CCC2=CCCCCC2)cc1Cn1cccn1 ZINC001201939424 1054947415 /nfs/dbraw/zinc/94/74/15/1054947415.db2.gz QQANUXMXKPZNJD-UHFFFAOYSA-N 1 0 339.483 4.310 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010799 1054977943 /nfs/dbraw/zinc/97/79/43/1054977943.db2.gz QKHGXTJZCHWZIV-ZRHASKPBSA-N 1 0 326.415 4.018 20 10 EICDRO CC(C)=CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202000063 1054991390 /nfs/dbraw/zinc/99/13/90/1054991390.db2.gz LVXFZWMEQKZSAO-UHFFFAOYSA-N 1 0 337.305 4.495 20 10 EICDRO COc1cc(Cl)cc(C[NH+]2CCC(c3ccsc3)CC2)c1O ZINC000777220578 1054993216 /nfs/dbraw/zinc/99/32/16/1054993216.db2.gz JDMIPBXVHOHARV-UHFFFAOYSA-N 1 0 337.872 4.495 20 10 EICDRO CC(C)[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC001202212569 1055088473 /nfs/dbraw/zinc/08/84/73/1055088473.db2.gz GUEIXRCLMHVNKF-LHDJESEWSA-N 1 0 338.495 4.114 20 10 EICDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000877685447 1055107678 /nfs/dbraw/zinc/10/76/78/1055107678.db2.gz ZVGFSYTWBRTRAH-JTQLQIEISA-N 1 0 343.418 4.387 20 10 EICDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CCCC1)c1ccccc1O ZINC000877756626 1055114849 /nfs/dbraw/zinc/11/48/49/1055114849.db2.gz ZRAIMIGFTCOKFK-CQSZACIVSA-N 1 0 330.859 4.497 20 10 EICDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757371 1055115243 /nfs/dbraw/zinc/11/52/43/1055115243.db2.gz UVCORPBBCSDBSK-INIZCTEOSA-N 1 0 349.478 4.413 20 10 EICDRO Cc1sc(C[NH2+][C@@H](C)c2ccccc2O)cc1Br ZINC000877758009 1055116174 /nfs/dbraw/zinc/11/61/74/1055116174.db2.gz CSLRNXJCKHOFAQ-VIFPVBQESA-N 1 0 326.259 4.375 20 10 EICDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202323482 1055139828 /nfs/dbraw/zinc/13/98/28/1055139828.db2.gz WWGLEHJUXWVWCH-CJNGLKHVSA-N 1 0 337.305 4.328 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000119261461 1055146193 /nfs/dbraw/zinc/14/61/93/1055146193.db2.gz CUZRIYWFGICARV-JOCHJYFZSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1Cl ZINC000826017554 1055180908 /nfs/dbraw/zinc/18/09/08/1055180908.db2.gz SYSKSVNUUUSAJW-UHFFFAOYSA-N 1 0 344.764 4.100 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2c1 ZINC000863295576 1055183134 /nfs/dbraw/zinc/18/31/34/1055183134.db2.gz ZGBUXXDEJNWMQV-CVEARBPZSA-N 1 0 329.465 4.024 20 10 EICDRO COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2OC)c1O ZINC000108421288 1055294885 /nfs/dbraw/zinc/29/48/85/1055294885.db2.gz BPJVSYQEYOAFPE-NRFANRHFSA-N 1 0 349.430 4.289 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC(C)C ZINC000186381475 1055417358 /nfs/dbraw/zinc/41/73/58/1055417358.db2.gz ASVMNQGXJZTGLB-VBKZILBWSA-N 1 0 347.430 4.357 20 10 EICDRO CC(C)n1ccnc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000172522599 1055598874 /nfs/dbraw/zinc/59/88/74/1055598874.db2.gz AKAPWNRKLGPHCB-UHFFFAOYSA-N 1 0 326.488 4.086 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000765861865 1056023310 /nfs/dbraw/zinc/02/33/10/1056023310.db2.gz SSSGJLSFFNCDMD-IBGZPJMESA-N 1 0 327.472 4.177 20 10 EICDRO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(O)c1 ZINC000742381053 1058580414 /nfs/dbraw/zinc/58/04/14/1058580414.db2.gz VOIDTZQVUNOHLZ-UHFFFAOYSA-N 1 0 344.842 4.258 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Oc1cccc(F)c1 ZINC000742381199 1058580776 /nfs/dbraw/zinc/58/07/76/1058580776.db2.gz WDMFZRSXIUYUQJ-QGZVFWFLSA-N 1 0 342.458 4.373 20 10 EICDRO COc1cc(Br)cc(C[NH2+][C@H](C)C2CCCCC2)c1O ZINC000742373034 1058600020 /nfs/dbraw/zinc/60/00/20/1058600020.db2.gz DOGBDTJYICETPY-LLVKDONJSA-N 1 0 342.277 4.222 20 10 EICDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCCO[C@H]21 ZINC000742376787 1058601843 /nfs/dbraw/zinc/60/18/43/1058601843.db2.gz HGZULDOFIGCISK-HMXCVIKNSA-N 1 0 337.463 4.352 20 10 EICDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccccc1Cl ZINC000742379006 1058605394 /nfs/dbraw/zinc/60/53/94/1058605394.db2.gz HWQLNNJYWIFLRW-LLVKDONJSA-N 1 0 326.223 4.256 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000744269522 1059358971 /nfs/dbraw/zinc/35/89/71/1059358971.db2.gz BVXRBZRBQXABJG-UHFFFAOYSA-N 1 0 333.479 4.413 20 10 EICDRO CCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000744450408 1059526390 /nfs/dbraw/zinc/52/63/90/1059526390.db2.gz TUGIWUDIQVDPDY-UHFFFAOYSA-N 1 0 325.452 4.356 20 10 EICDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766365777 1060311383 /nfs/dbraw/zinc/31/13/83/1060311383.db2.gz PJGMGQGZYLUNMX-MOPGFXCFSA-N 1 0 332.532 4.372 20 10 EICDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766361422 1060314390 /nfs/dbraw/zinc/31/43/90/1060314390.db2.gz VZZCOUQVFBUCFB-JFIYKMOQSA-N 1 0 336.495 4.264 20 10 EICDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000766584908 1060642811 /nfs/dbraw/zinc/64/28/11/1060642811.db2.gz OYOYQYKVIZVKHQ-NPPFBWRTSA-N 1 0 341.543 4.200 20 10 EICDRO COc1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C ZINC001169644707 1060885537 /nfs/dbraw/zinc/88/55/37/1060885537.db2.gz OOWIYIBSNOUKTH-HXUWFJFHSA-N 1 0 345.870 4.148 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490459 522719648 /nfs/dbraw/zinc/71/96/48/522719648.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 1 0 343.298 4.367 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352316 524761843 /nfs/dbraw/zinc/76/18/43/524761843.db2.gz SWLNXIAVVXZBSZ-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352314 524771207 /nfs/dbraw/zinc/77/12/07/524771207.db2.gz SWLNXIAVVXZBSZ-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Cc1noc(C)c1C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054463392 1032063833 /nfs/dbraw/zinc/06/38/33/1032063833.db2.gz GXNQJCXMJFODMO-UHFFFAOYSA-N 1 0 340.423 4.254 20 10 EICDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729681942 1032130192 /nfs/dbraw/zinc/13/01/92/1032130192.db2.gz BQBQAOQTSZGTCB-MRXNPFEDSA-N 1 0 333.431 4.486 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(F)ccc(F)c2Cl)c1 ZINC000529568546 1032460738 /nfs/dbraw/zinc/46/07/38/1032460738.db2.gz BHRHZVZZXOWHIY-VIFPVBQESA-N 1 0 327.758 4.183 20 10 EICDRO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(Br)cc1O ZINC000841762555 1032644381 /nfs/dbraw/zinc/64/43/81/1032644381.db2.gz XONNAOIOJHDCCI-MEDUHNTESA-N 1 0 348.240 4.077 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1O ZINC000155335865 1020499607 /nfs/dbraw/zinc/49/96/07/1020499607.db2.gz CNIGKCPZUYYSRA-KDOFPFPSSA-N 1 0 340.423 4.151 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000693132469 1020978592 /nfs/dbraw/zinc/97/85/92/1020978592.db2.gz PRECRPXJGODYSM-SMDDNHRTSA-N 1 0 342.277 4.011 20 10 EICDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC001167341381 1021313330 /nfs/dbraw/zinc/31/33/30/1021313330.db2.gz HXPWCLGDPBKKHT-UHFFFAOYSA-N 1 0 328.500 4.070 20 10 EICDRO C[C@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000310647532 1021384900 /nfs/dbraw/zinc/38/49/00/1021384900.db2.gz NWXWZZGPMYMXER-MGPUTAFESA-N 1 0 348.487 4.080 20 10 EICDRO C[C@H](O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000725846849 1021386073 /nfs/dbraw/zinc/38/60/73/1021386073.db2.gz VFYTUPZNNVSDFX-INIZCTEOSA-N 1 0 333.431 4.402 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168583 1021651692 /nfs/dbraw/zinc/65/16/92/1021651692.db2.gz XKRCLJBHOSJWEZ-CQSZACIVSA-N 1 0 326.371 4.052 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000177975248 1021836510 /nfs/dbraw/zinc/83/65/10/1021836510.db2.gz LYKWMRBRLBSVKZ-INIZCTEOSA-N 1 0 341.474 4.343 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001167722458 1022035049 /nfs/dbraw/zinc/03/50/49/1022035049.db2.gz UPMDWSIDRRZYMN-GOSISDBHSA-N 1 0 348.494 4.399 20 10 EICDRO CC[C@@H](c1ccccc1O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905077 1022084316 /nfs/dbraw/zinc/08/43/16/1022084316.db2.gz HGKYVWCMIGVAMA-PBHICJAKSA-N 1 0 340.471 4.169 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)c(O)c1OC ZINC000892560428 1022178898 /nfs/dbraw/zinc/17/88/98/1022178898.db2.gz HBTZYHWGPCJBEP-LJQANCHMSA-N 1 0 329.440 4.286 20 10 EICDRO CC[N@H+](Cc1ccccc1O)Cc1c(F)cccc1OC(F)F ZINC001207117818 1022217402 /nfs/dbraw/zinc/21/74/02/1022217402.db2.gz CNGBRECOEHHXTC-UHFFFAOYSA-N 1 0 325.330 4.155 20 10 EICDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000160555057 1022231985 /nfs/dbraw/zinc/23/19/85/1022231985.db2.gz GFQXEVOMXYWDKU-ZDUSSCGKSA-N 1 0 348.874 4.274 20 10 EICDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)c1cccc(OC)c1 ZINC000179723277 1022373360 /nfs/dbraw/zinc/37/33/60/1022373360.db2.gz SSMIYILBBYGXJX-CQSZACIVSA-N 1 0 345.439 4.001 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716216 1022804233 /nfs/dbraw/zinc/80/42/33/1022804233.db2.gz FNWYHEWQUQQOLR-OALUTQOASA-N 1 0 328.431 4.456 20 10 EICDRO CN1CCc2cc(C[NH2+]Cc3cccc(-c4cccnc4)c3)ccc21 ZINC000363835248 1022832659 /nfs/dbraw/zinc/83/26/59/1022832659.db2.gz MYJAZQBTPVHDHC-UHFFFAOYSA-N 1 0 329.447 4.031 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 ZINC000363859415 1022862135 /nfs/dbraw/zinc/86/21/35/1022862135.db2.gz FZZOUGMOQYLMMV-VBKZILBWSA-N 1 0 326.440 4.378 20 10 EICDRO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cc1[O-] ZINC000186164977 1023102730 /nfs/dbraw/zinc/10/27/30/1023102730.db2.gz YQJJVXOVJCRGHM-FAEJEUNOSA-N 1 0 334.479 4.225 20 10 EICDRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cc(C)ccc2O)CC1 ZINC000186361396 1023121866 /nfs/dbraw/zinc/12/18/66/1023121866.db2.gz BVYHJZGSWFGETN-QGZVFWFLSA-N 1 0 339.483 4.016 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)c(O)c1OC ZINC000892689214 1023157209 /nfs/dbraw/zinc/15/72/09/1023157209.db2.gz HRFGURDSJVNOEN-IBGZPJMESA-N 1 0 341.451 4.431 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000376787128 1023311582 /nfs/dbraw/zinc/31/15/82/1023311582.db2.gz JSROUVMNSPJSBR-ZIAGYGMSSA-N 1 0 325.387 4.129 20 10 EICDRO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756532390 1023382638 /nfs/dbraw/zinc/38/26/38/1023382638.db2.gz DYCIQSZHAAFNNS-OAHLLOKOSA-N 1 0 340.458 4.367 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1O ZINC000834913177 1023413138 /nfs/dbraw/zinc/41/31/38/1023413138.db2.gz ZMRUMLGHWGJLIE-RYUDHWBXSA-N 1 0 342.277 4.011 20 10 EICDRO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCSc1nccs1 ZINC000781898303 1023441834 /nfs/dbraw/zinc/44/18/34/1023441834.db2.gz XGPGSKGTDDMSAL-CQSZACIVSA-N 1 0 338.473 4.268 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000756736696 1024255644 /nfs/dbraw/zinc/25/56/44/1024255644.db2.gz CKHGKVIHYZCVOE-ZBEGNZNMSA-N 1 0 340.250 4.392 20 10 EICDRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1cc(Br)ccc1O ZINC000308693671 1024361105 /nfs/dbraw/zinc/36/11/05/1024361105.db2.gz NRFGLZOUYNFJSS-CYBMUJFWSA-N 1 0 330.266 4.011 20 10 EICDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000164582921 1024664412 /nfs/dbraw/zinc/66/44/12/1024664412.db2.gz IWTSTWLTVRRNNJ-GOSISDBHSA-N 1 0 340.515 4.313 20 10 EICDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000796703707 1025016786 /nfs/dbraw/zinc/01/67/86/1025016786.db2.gz UJDBDSJRZPKIQN-IRXDYDNUSA-N 1 0 345.414 4.495 20 10 EICDRO CC[C@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1O ZINC000277197674 1025323310 /nfs/dbraw/zinc/32/33/10/1025323310.db2.gz VKFRMXJPGCWTOP-ZWKOTPCHSA-N 1 0 337.423 4.108 20 10 EICDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000122272655 1025385695 /nfs/dbraw/zinc/38/56/95/1025385695.db2.gz WSCVFVRCELEYIX-NSHDSACASA-N 1 0 325.330 4.270 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccccc1O ZINC000156856662 1025679871 /nfs/dbraw/zinc/67/98/71/1025679871.db2.gz XNLBKLGMSLGIML-IBGZPJMESA-N 1 0 329.440 4.048 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000091891097 1025868004 /nfs/dbraw/zinc/86/80/04/1025868004.db2.gz BDVDYHKZYUVNND-HOCLYGCPSA-N 1 0 337.872 4.195 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)C(C)C)cc1 ZINC000182058917 1026017498 /nfs/dbraw/zinc/01/74/98/1026017498.db2.gz NYZPMVWXXOJILH-LJQANCHMSA-N 1 0 345.414 4.229 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1OC ZINC000894773023 1026413509 /nfs/dbraw/zinc/41/35/09/1026413509.db2.gz NOXMXBXSOAMCJP-MRXNPFEDSA-N 1 0 349.377 4.025 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1C ZINC000279617085 1026547922 /nfs/dbraw/zinc/54/79/22/1026547922.db2.gz AIUJOWNGFBBKAT-LBPRGKRZSA-N 1 0 335.245 4.017 20 10 EICDRO COc1ccc(C[N@H+](C(C)C)[C@H](C)c2ccsc2)c(O)c1OC ZINC000894976644 1027646987 /nfs/dbraw/zinc/64/69/87/1027646987.db2.gz DKQFKMPVLFKZFN-CYBMUJFWSA-N 1 0 335.469 4.443 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])s1 ZINC000708176189 1027834797 /nfs/dbraw/zinc/83/47/97/1027834797.db2.gz DNXGICCGWKUQPE-UHFFFAOYSA-N 1 0 346.677 4.468 20 10 EICDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000123650452 1028086543 /nfs/dbraw/zinc/08/65/43/1028086543.db2.gz ACRZHELEMTYKBK-ZDUSSCGKSA-N 1 0 333.476 4.432 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1 ZINC000157734639 1029207652 /nfs/dbraw/zinc/20/76/52/1029207652.db2.gz SNSUIQMJXZODRT-ZDUSSCGKSA-N 1 0 336.382 4.201 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000475189273 1029351149 /nfs/dbraw/zinc/35/11/49/1029351149.db2.gz FTVKXTMVQCDHTP-UHFFFAOYSA-N 1 0 348.425 4.101 20 10 EICDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000278549548 1029472153 /nfs/dbraw/zinc/47/21/53/1029472153.db2.gz VSWOGGCMAXESJW-LLVKDONJSA-N 1 0 343.298 4.224 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)c1 ZINC000185152539 1030120462 /nfs/dbraw/zinc/12/04/62/1030120462.db2.gz LEBYOCSQHNDDOS-QVKFZJNVSA-N 1 0 334.419 4.236 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000186192591 1030255329 /nfs/dbraw/zinc/25/53/29/1030255329.db2.gz ISWRJLVSKYSLEO-CABCVRRESA-N 1 0 337.423 4.205 20 10 EICDRO CCC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1O ZINC000170779110 1030806952 /nfs/dbraw/zinc/80/69/52/1030806952.db2.gz DXGCNLZRQVBZNJ-UHFFFAOYSA-N 1 0 338.455 4.130 20 10 EICDRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000527926432 1030924104 /nfs/dbraw/zinc/92/41/04/1030924104.db2.gz KYFPNXUHQYHGBT-SWLSCSKDSA-N 1 0 342.277 4.012 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000527940935 1030957018 /nfs/dbraw/zinc/95/70/18/1030957018.db2.gz CACXPXRUAWAWNE-RONXPYQUSA-N 1 0 329.827 4.043 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(F)cc1[O-] ZINC000527974620 1030985971 /nfs/dbraw/zinc/98/59/71/1030985971.db2.gz UKGWFJQPORSUFC-SJCJKPOMSA-N 1 0 333.403 4.350 20 10 EICDRO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3ccccc3O)cc2F)c1 ZINC000359998245 1031906165 /nfs/dbraw/zinc/90/61/65/1031906165.db2.gz WQCANTISKVZIHK-CABCVRRESA-N 1 0 339.414 4.437 20 10 EICDRO COc1cc(C)cc(C[NH2+]Cc2ccc(F)cc2CSC)c1O ZINC000894138798 1034176458 /nfs/dbraw/zinc/17/64/58/1034176458.db2.gz LWVOOGJQDDSSIW-UHFFFAOYSA-N 1 0 335.444 4.001 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1O ZINC000894181700 1034638635 /nfs/dbraw/zinc/63/86/35/1034638635.db2.gz ZPAHJKSUKORMQI-OAHLLOKOSA-N 1 0 329.440 4.347 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(COC)c2)cc1 ZINC000151185334 1035569569 /nfs/dbraw/zinc/56/95/69/1035569569.db2.gz QMIONCRSCXPKSF-HNNXBMFYSA-N 1 0 330.447 4.279 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1O ZINC000156342254 1035891722 /nfs/dbraw/zinc/89/17/22/1035891722.db2.gz OLEVVDHZMUEWQL-DOTOQJQBSA-N 1 0 327.449 4.381 20 10 EICDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184771 1035898766 /nfs/dbraw/zinc/89/87/66/1035898766.db2.gz PHPQIXBTWVRHRS-QGZVFWFLSA-N 1 0 347.842 4.400 20 10 EICDRO COc1ccc(CCC[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761192652 1036004980 /nfs/dbraw/zinc/00/49/80/1036004980.db2.gz WNUHLVFQQGRROP-UHFFFAOYSA-N 1 0 349.858 4.127 20 10 EICDRO COc1cc(Cl)cc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1O ZINC000761195215 1036018697 /nfs/dbraw/zinc/01/86/97/1036018697.db2.gz JDMPEFPYUAWHES-UHFFFAOYSA-N 1 0 348.874 4.310 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCc3ccccc32)c1O ZINC000761207589 1036039980 /nfs/dbraw/zinc/03/99/80/1036039980.db2.gz QICKXIIEQAKCGI-IBGZPJMESA-N 1 0 331.843 4.396 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncccc1C(F)(F)F ZINC000156837489 1036440405 /nfs/dbraw/zinc/44/04/05/1036440405.db2.gz QOCZNNUHXPYMGI-UHFFFAOYSA-N 1 0 337.389 4.189 20 10 EICDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163582950 1037147781 /nfs/dbraw/zinc/14/77/81/1037147781.db2.gz AZRKNBKITCRTSP-NRFANRHFSA-N 1 0 338.520 4.325 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1C ZINC000273305948 1037404455 /nfs/dbraw/zinc/40/44/55/1037404455.db2.gz CRQISWXYZDGFRV-CVEARBPZSA-N 1 0 336.439 4.002 20 10 EICDRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273361913 1037436181 /nfs/dbraw/zinc/43/61/81/1037436181.db2.gz AOQQAGPUJPTQNA-KRWDZBQOSA-N 1 0 343.467 4.193 20 10 EICDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc(OC)c1OC ZINC000273385112 1037446069 /nfs/dbraw/zinc/44/60/69/1037446069.db2.gz JIZQDRCWDDYYJC-ZIAGYGMSSA-N 1 0 345.439 4.138 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCOCCc2ccccc2)c1 ZINC000273413912 1037457659 /nfs/dbraw/zinc/45/76/59/1037457659.db2.gz QIUZVOOQYLUODG-KRWDZBQOSA-N 1 0 343.467 4.091 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000273423779 1037460337 /nfs/dbraw/zinc/46/03/37/1037460337.db2.gz JSMQSBVROIOXHG-PAXLWEDBSA-N 1 0 342.458 4.463 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000273485667 1037481774 /nfs/dbraw/zinc/48/17/74/1037481774.db2.gz MHAWRXVOBKACGO-MOPGFXCFSA-N 1 0 329.415 4.192 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273556941 1037503114 /nfs/dbraw/zinc/50/31/14/1037503114.db2.gz ZQGIAGYVQHHOLA-LEWJYISDSA-N 1 0 342.458 4.244 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273556946 1037507916 /nfs/dbraw/zinc/50/79/16/1037507916.db2.gz ZQGIAGYVQHHOLA-RTWAWAEBSA-N 1 0 342.458 4.244 20 10 EICDRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(Br)cc1O ZINC000273583584 1037509797 /nfs/dbraw/zinc/50/97/97/1037509797.db2.gz NEKGNAFDDKAGTG-QMMMGPOBSA-N 1 0 326.156 4.148 20 10 EICDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)ccc1OC ZINC000273578008 1037513463 /nfs/dbraw/zinc/51/34/63/1037513463.db2.gz MCVLEARJTYVLIF-OAHLLOKOSA-N 1 0 329.440 4.267 20 10 EICDRO Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000225269551 1037527290 /nfs/dbraw/zinc/52/72/90/1037527290.db2.gz RARVVQOQXZJQGV-UHFFFAOYSA-N 1 0 326.621 4.098 20 10 EICDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cc(Br)ccc1O ZINC000273616605 1037528970 /nfs/dbraw/zinc/52/89/70/1037528970.db2.gz XLKRASBZONQHBV-MRVPVSSYSA-N 1 0 326.156 4.148 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000273719876 1037562037 /nfs/dbraw/zinc/56/20/37/1037562037.db2.gz HWXFKLXWALFGPZ-OAHLLOKOSA-N 1 0 339.863 4.026 20 10 EICDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000760896068 1037647468 /nfs/dbraw/zinc/64/74/68/1037647468.db2.gz CWHVMVRUQLTKIY-CQSZACIVSA-N 1 0 335.451 4.009 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2nc3ccccc3s2)c1O ZINC000894275991 1037827309 /nfs/dbraw/zinc/82/73/09/1037827309.db2.gz GNVOAWVTKVJATO-GFCCVEGCSA-N 1 0 328.437 4.170 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1C ZINC000783311528 1037883069 /nfs/dbraw/zinc/88/30/69/1037883069.db2.gz XKOXEIZVOROHMW-GRDNDAEWSA-N 1 0 345.405 4.143 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccccc1 ZINC000322675362 1038817537 /nfs/dbraw/zinc/81/75/37/1038817537.db2.gz FPSSWKRHOVCMLB-SFHVURJKSA-N 1 0 332.875 4.218 20 10 EICDRO CCOc1ccc(N2CC[NH+](CCc3ccccc3CC)CC2)cc1 ZINC001168331683 1038998506 /nfs/dbraw/zinc/99/85/06/1038998506.db2.gz OHROAPQBOXIJBU-UHFFFAOYSA-N 1 0 338.495 4.012 20 10 EICDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000281155388 1039815268 /nfs/dbraw/zinc/81/52/68/1039815268.db2.gz VKCJVHQJYSDXAM-OSPHWJPCSA-N 1 0 348.556 4.019 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)ccc1O ZINC000697873329 1039880909 /nfs/dbraw/zinc/88/09/09/1039880909.db2.gz UYZIDJWITHHGST-JOYOIKCWSA-N 1 0 341.274 4.413 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000551175217 1040020870 /nfs/dbraw/zinc/02/08/70/1040020870.db2.gz IMICQACOYZXJSM-SIKLNZKXSA-N 1 0 347.506 4.412 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000479451086 1040358583 /nfs/dbraw/zinc/35/85/83/1040358583.db2.gz HIZIGYFPWVZDJX-SJORKVTESA-N 1 0 336.483 4.036 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c(C)c1OC ZINC000927125344 1040781431 /nfs/dbraw/zinc/78/14/31/1040781431.db2.gz RXCDBRLXBSPKGN-HNNXBMFYSA-N 1 0 329.440 4.185 20 10 EICDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Br)cc1O ZINC000903334547 1041016272 /nfs/dbraw/zinc/01/62/72/1041016272.db2.gz BMTKULGIQTUMQK-GTNSWQLSSA-N 1 0 347.256 4.352 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366675741 1041842261 /nfs/dbraw/zinc/84/22/61/1041842261.db2.gz JBZXPVWUVLAJPZ-LJQANCHMSA-N 1 0 344.499 4.004 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000366682551 1042016681 /nfs/dbraw/zinc/01/66/81/1042016681.db2.gz TUCVMQWMKBPLOW-HTAPYJJXSA-N 1 0 348.494 4.316 20 10 EICDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151568900 1042266779 /nfs/dbraw/zinc/26/67/79/1042266779.db2.gz KSXXOHCNLMRCRR-GOSISDBHSA-N 1 0 330.516 4.120 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000152076665 1042625482 /nfs/dbraw/zinc/62/54/82/1042625482.db2.gz GVNJJLGZJOVTMT-INIZCTEOSA-N 1 0 338.451 4.256 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000766029982 1043066827 /nfs/dbraw/zinc/06/68/27/1043066827.db2.gz RMGVWOJMJKXJRA-KRWDZBQOSA-N 1 0 325.500 4.368 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000766031025 1043076783 /nfs/dbraw/zinc/07/67/83/1043076783.db2.gz YSPMYQCLVNLGIX-HXUWFJFHSA-N 1 0 326.509 4.181 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186853711 1043087877 /nfs/dbraw/zinc/08/78/77/1043087877.db2.gz GIZHOQFOUXOCSI-BLLLJJGKSA-N 1 0 339.357 4.398 20 10 EICDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(N(C)C)cc3)c2c1 ZINC000765954995 1043092340 /nfs/dbraw/zinc/09/23/40/1043092340.db2.gz XWCVWOLQYCFFDA-HNNXBMFYSA-N 1 0 337.467 4.136 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)c1 ZINC000895129951 1043133838 /nfs/dbraw/zinc/13/38/38/1043133838.db2.gz FOBATQOTUXXDIG-UHFFFAOYSA-N 1 0 336.435 4.041 20 10 EICDRO Fc1ccccc1OCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000761610060 1043305330 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ZINC000738066840 1045031972 /nfs/dbraw/zinc/03/19/72/1045031972.db2.gz OMGHJWXALPLEKS-LJQANCHMSA-N 1 0 336.460 4.231 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)CCC2 ZINC000738247783 1045053357 /nfs/dbraw/zinc/05/33/57/1045053357.db2.gz YYXMAHSLLNODBE-HXUWFJFHSA-N 1 0 325.477 4.171 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000915228883 1045198950 /nfs/dbraw/zinc/19/89/50/1045198950.db2.gz DLCNYCQCRYGQLM-UHFFFAOYSA-N 1 0 345.490 4.440 20 10 EICDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)CCC2 ZINC000762626614 1045317754 /nfs/dbraw/zinc/31/77/54/1045317754.db2.gz XHNZZUNBBTVYPB-SFHVURJKSA-N 1 0 339.435 4.412 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1O ZINC000237235892 1045378214 /nfs/dbraw/zinc/37/82/14/1045378214.db2.gz JUYAHHWRTJBEDZ-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1cc(Cl)ccc1O ZINC000790695026 1045560141 /nfs/dbraw/zinc/56/01/41/1045560141.db2.gz CIHQSUYZQJITDI-WBVHZDCISA-N 1 0 347.890 4.421 20 10 EICDRO CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(N(C)C)cc1 ZINC000768134831 1045723569 /nfs/dbraw/zinc/72/35/69/1045723569.db2.gz VDOVFCAWJZORED-UHFFFAOYSA-N 1 0 342.874 4.076 20 10 EICDRO COc1cccc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1O ZINC000768237313 1045751688 /nfs/dbraw/zinc/75/16/88/1045751688.db2.gz ODXIMAPRZSHLFO-UHFFFAOYSA-N 1 0 329.827 4.344 20 10 EICDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000768193762 1045752356 /nfs/dbraw/zinc/75/23/56/1045752356.db2.gz PCXVLYXDOFSDLE-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)c1O ZINC000768337901 1045792717 /nfs/dbraw/zinc/79/27/17/1045792717.db2.gz JBPUDEBUKFSMOJ-IBGZPJMESA-N 1 0 341.451 4.309 20 10 EICDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000768361207 1045797773 /nfs/dbraw/zinc/79/77/73/1045797773.db2.gz DDTZOHCZIAHBKH-UHFFFAOYSA-N 1 0 331.843 4.397 20 10 EICDRO CC(C)[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768357880 1045799204 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Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C ZINC000763337011 1045827717 /nfs/dbraw/zinc/82/77/17/1045827717.db2.gz VCJXFMXZJKDLOT-FQEVSTJZSA-N 1 0 329.415 4.030 20 10 EICDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000768892151 1045854480 /nfs/dbraw/zinc/85/44/80/1045854480.db2.gz ICYDJCNRYBBLLA-LJQANCHMSA-N 1 0 338.495 4.060 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000768910310 1045858676 /nfs/dbraw/zinc/85/86/76/1045858676.db2.gz FDGWEDNYZYQIKG-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000768908132 1045859094 /nfs/dbraw/zinc/85/90/94/1045859094.db2.gz CHXOFYPAFLDDFI-AWEZNQCLSA-N 1 0 340.373 4.208 20 10 EICDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000768989669 1045866414 /nfs/dbraw/zinc/86/64/14/1045866414.db2.gz AOCZGMUAXVUIIG-IBGZPJMESA-N 1 0 335.451 4.315 20 10 EICDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000768990496 1045868137 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C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cncc(F)c1 ZINC000757636269 1046057599 /nfs/dbraw/zinc/05/75/99/1046057599.db2.gz FCGWSGFKBSTDFV-UWVGGRQHSA-N 1 0 339.208 4.101 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000792759809 1046062691 /nfs/dbraw/zinc/06/26/91/1046062691.db2.gz DZAJPUWOCINBAG-UHFFFAOYSA-N 1 0 338.373 4.109 20 10 EICDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000769877584 1046104931 /nfs/dbraw/zinc/10/49/31/1046104931.db2.gz TZHCOADRQDRRTQ-CYBMUJFWSA-N 1 0 333.451 4.382 20 10 EICDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000793074946 1046135285 /nfs/dbraw/zinc/13/52/85/1046135285.db2.gz UWURTVYMQSRHEX-KGLIPLIRSA-N 1 0 344.421 4.066 20 10 EICDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000793165846 1046152874 /nfs/dbraw/zinc/15/28/74/1046152874.db2.gz GSGRVIBYLORXCE-UHFFFAOYSA-N 1 0 337.389 4.107 20 10 EICDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000770289714 1046168917 /nfs/dbraw/zinc/16/89/17/1046168917.db2.gz GZQOYDCAZTZXCE-BLLLJJGKSA-N 1 0 337.872 4.195 20 10 EICDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000793339886 1046211876 /nfs/dbraw/zinc/21/18/76/1046211876.db2.gz NOHANUJXKDBUAA-NRFANRHFSA-N 1 0 325.452 4.450 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)c(O)c1 ZINC000793387571 1046229205 /nfs/dbraw/zinc/22/92/05/1046229205.db2.gz HRFQIPGYNUOBTH-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)c(O)c1 ZINC000793386401 1046229408 /nfs/dbraw/zinc/22/94/08/1046229408.db2.gz PAIWKKXWEVFPCV-UHFFFAOYSA-N 1 0 349.430 4.366 20 10 EICDRO COc1ccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c(O)c1 ZINC000793385386 1046230670 /nfs/dbraw/zinc/23/06/70/1046230670.db2.gz AWAFBAMNGFCWIY-UHFFFAOYSA-N 1 0 340.448 4.123 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000322069786 1046260474 /nfs/dbraw/zinc/26/04/74/1046260474.db2.gz CYXUFCIEXDHVCA-BFYDXBDKSA-N 1 0 348.487 4.269 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000793570302 1046296959 /nfs/dbraw/zinc/29/69/59/1046296959.db2.gz HPQPXVITIAVBPR-UHFFFAOYSA-N 1 0 340.515 4.252 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1F ZINC000793610837 1046308601 /nfs/dbraw/zinc/30/86/01/1046308601.db2.gz YUWZTVVOTWYMMO-UHFFFAOYSA-N 1 0 344.478 4.083 20 10 EICDRO COc1ccc(N2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000154146466 1046335467 /nfs/dbraw/zinc/33/54/67/1046335467.db2.gz IFHGAYAWHHQPLW-UHFFFAOYSA-N 1 0 336.479 4.200 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000691500174 1046381038 /nfs/dbraw/zinc/38/10/38/1046381038.db2.gz CLNYRXBAGZFLDQ-CYBMUJFWSA-N 1 0 338.270 4.383 20 10 EICDRO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000771929341 1046519385 /nfs/dbraw/zinc/51/93/85/1046519385.db2.gz XIJOQPFQZSKYQC-HNNXBMFYSA-N 1 0 333.516 4.192 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)c2nccs2)c(C)n1-c1ccccc1 ZINC000772441179 1046636403 /nfs/dbraw/zinc/63/64/03/1046636403.db2.gz JRPLZKHRBYXZBD-OAHLLOKOSA-N 1 0 325.481 4.444 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000917075423 1046638112 /nfs/dbraw/zinc/63/81/12/1046638112.db2.gz VOOFRPYSKRNANS-UHFFFAOYSA-N 1 0 327.428 4.071 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917074916 1046639302 /nfs/dbraw/zinc/63/93/02/1046639302.db2.gz LONZNFUHOKRPMI-UHFFFAOYSA-N 1 0 345.418 4.211 20 10 EICDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785979416 1046793910 /nfs/dbraw/zinc/79/39/10/1046793910.db2.gz OJCSYGVDJPQKMB-WFXMLNOXSA-N 1 0 328.500 4.166 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)CCCC3 ZINC000917472975 1046897634 /nfs/dbraw/zinc/89/76/34/1046897634.db2.gz LNUHRHQDCYPHCH-QFBILLFUSA-N 1 0 341.451 4.161 20 10 EICDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000917616516 1047029192 /nfs/dbraw/zinc/02/91/92/1047029192.db2.gz NPQMVBIRLRADOA-SFHVURJKSA-N 1 0 336.410 4.287 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1F ZINC000788251103 1047143957 /nfs/dbraw/zinc/14/39/57/1047143957.db2.gz URAIDAWGOHYYMP-UHFFFAOYSA-N 1 0 334.479 4.253 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131120 1047155398 /nfs/dbraw/zinc/15/53/98/1047155398.db2.gz GOGRYKFUGFLXFD-ABAIWWIYSA-N 1 0 331.287 4.082 20 10 EICDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000806142334 1047169094 /nfs/dbraw/zinc/16/90/94/1047169094.db2.gz ODVDHKRBHPNXAA-JCGIZDLHSA-N 1 0 336.426 4.035 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806181653 1047190285 /nfs/dbraw/zinc/19/02/85/1047190285.db2.gz ZVALMITYZGDKIQ-FXAWDEMLSA-N 1 0 346.902 4.223 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)cc(F)c1[O-] ZINC000806179718 1047201250 /nfs/dbraw/zinc/20/12/50/1047201250.db2.gz VGDLYTCEGNEPPJ-VHSXEESVSA-N 1 0 348.281 4.088 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788531918 1047227703 /nfs/dbraw/zinc/22/77/03/1047227703.db2.gz HTWKRZVZNJWUER-HNNXBMFYSA-N 1 0 330.859 4.052 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)c(O)c1 ZINC000788575439 1047236217 /nfs/dbraw/zinc/23/62/17/1047236217.db2.gz WPMMDGUVTLYYTF-HOTGVXAUSA-N 1 0 344.524 4.168 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c(O)c1 ZINC000788594573 1047240665 /nfs/dbraw/zinc/24/06/65/1047240665.db2.gz NREZYKQXANKORX-HOCLYGCPSA-N 1 0 346.421 4.217 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000788590990 1047241378 /nfs/dbraw/zinc/24/13/78/1047241378.db2.gz XHMUFNQNJCXAQY-OAHLLOKOSA-N 1 0 348.487 4.059 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000788631864 1047254872 /nfs/dbraw/zinc/25/48/72/1047254872.db2.gz OITOPQUCCYDDJD-RLFYNMQTSA-N 1 0 331.431 4.311 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1 ZINC000788670021 1047267169 /nfs/dbraw/zinc/26/71/69/1047267169.db2.gz HSQYWBWWKHUPDO-JKSUJKDBSA-N 1 0 335.513 4.104 20 10 EICDRO COc1cccc(OCCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788668652 1047267887 /nfs/dbraw/zinc/26/78/87/1047267887.db2.gz XJVLYVYKPVEIDB-INIZCTEOSA-N 1 0 329.440 4.137 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H](O)Cc1ccccc1 ZINC000746762054 1047291767 /nfs/dbraw/zinc/29/17/67/1047291767.db2.gz UJNMUDNTJLJSBZ-HXOBKFHXSA-N 1 0 347.458 4.141 20 10 EICDRO [NH3+]C1(c2ccc(NCc3cc(Cl)c4cccnc4c3O)cc2)CC1 ZINC001168523589 1047389239 /nfs/dbraw/zinc/38/92/39/1047389239.db2.gz PVGCLTYGKBKMQV-UHFFFAOYSA-N 1 0 339.826 4.154 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)OCc2ccccc2)c1 ZINC000789361253 1047409876 /nfs/dbraw/zinc/40/98/76/1047409876.db2.gz GETIIZZWFUBHDT-CVEARBPZSA-N 1 0 329.440 4.047 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)oc1ccccc12 ZINC000789513254 1047434892 /nfs/dbraw/zinc/43/48/92/1047434892.db2.gz KMSZMSBIVNRUOS-YLJYHZDGSA-N 1 0 337.419 4.435 20 10 EICDRO COc1cc(C[NH+]2CCC3(CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000789528953 1047437370 /nfs/dbraw/zinc/43/73/70/1047437370.db2.gz FVZGVLJMKQCUPE-UHFFFAOYSA-N 1 0 347.499 4.091 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000898322663 1047614887 /nfs/dbraw/zinc/61/48/87/1047614887.db2.gz PDRYEFYURNOINM-GOSISDBHSA-N 1 0 349.400 4.407 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1O ZINC000898322651 1047615161 /nfs/dbraw/zinc/61/51/61/1047615161.db2.gz OVDLGBBUCXWKJL-INIZCTEOSA-N 1 0 347.256 4.099 20 10 EICDRO COc1ccc(CCC[N@H+](C)Cc2c(O)ccc3ccncc32)cc1 ZINC000918731452 1047624376 /nfs/dbraw/zinc/62/43/76/1047624376.db2.gz AGUKTKGFVPXVHV-UHFFFAOYSA-N 1 0 336.435 4.014 20 10 EICDRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000918738818 1047628850 /nfs/dbraw/zinc/62/88/50/1047628850.db2.gz PBLZUCFZNTZHDM-OAHLLOKOSA-N 1 0 346.421 4.247 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000824344778 1047858416 /nfs/dbraw/zinc/85/84/16/1047858416.db2.gz UJDWYEKDIVLLMR-UHFFFAOYSA-N 1 0 340.439 4.103 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1O ZINC000155022430 1047884874 /nfs/dbraw/zinc/88/48/74/1047884874.db2.gz LCPPZCLBCQJACQ-AWEZNQCLSA-N 1 0 337.366 4.243 20 10 EICDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824653682 1047896515 /nfs/dbraw/zinc/89/65/15/1047896515.db2.gz FIKPITLKKZMTOB-MRXNPFEDSA-N 1 0 332.513 4.025 20 10 EICDRO Oc1cc2c(cc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)OCO2 ZINC000824697172 1047898006 /nfs/dbraw/zinc/89/80/06/1047898006.db2.gz ZFVQZBIRXMVCLU-GOSISDBHSA-N 1 0 349.789 4.154 20 10 EICDRO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824697161 1047898120 /nfs/dbraw/zinc/89/81/20/1047898120.db2.gz ZCRSKZLXUWHEIW-FDFHNCONSA-N 1 0 342.527 4.192 20 10 EICDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)c2ccccc21 ZINC000808437563 1047900682 /nfs/dbraw/zinc/90/06/82/1047900682.db2.gz QYENVHNUFOZNGD-GFCCVEGCSA-N 1 0 339.366 4.264 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715880 1047909422 /nfs/dbraw/zinc/90/94/22/1047909422.db2.gz QBJURSJQIXJLQS-SJBKTWHCSA-N 1 0 337.463 4.185 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)c1OC ZINC000808431358 1047945342 /nfs/dbraw/zinc/94/53/42/1047945342.db2.gz GSBDELIXHQLMNK-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1O ZINC000808681406 1048034245 /nfs/dbraw/zinc/03/42/45/1048034245.db2.gz ALGBJAWKNJUVEI-AWEZNQCLSA-N 1 0 341.842 4.391 20 10 EICDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808690298 1048039137 /nfs/dbraw/zinc/03/91/37/1048039137.db2.gz CUIKQIINMCBSLX-CYBMUJFWSA-N 1 0 346.858 4.206 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000808692306 1048039555 /nfs/dbraw/zinc/03/95/55/1048039555.db2.gz QSXIAQYJTKDWAM-LBPRGKRZSA-N 1 0 334.803 4.156 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2cnn(CC)c2)cc1 ZINC000825130086 1048040768 /nfs/dbraw/zinc/04/07/68/1048040768.db2.gz MFSOBXVEHHDRLR-KRWDZBQOSA-N 1 0 328.504 4.380 20 10 EICDRO FC(F)OC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000825143261 1048042786 /nfs/dbraw/zinc/04/27/86/1048042786.db2.gz CWZATYXLEGHGCO-UHFFFAOYSA-N 1 0 338.442 4.317 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1O ZINC000808675193 1048045911 /nfs/dbraw/zinc/04/59/11/1048045911.db2.gz YZOGXWSEHSWVPQ-VXGBXAGGSA-N 1 0 333.815 4.495 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000808672700 1048046495 /nfs/dbraw/zinc/04/64/95/1048046495.db2.gz RKCVKWMZBFMJIH-WMLDXEAASA-N 1 0 348.874 4.435 20 10 EICDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808703863 1048051094 /nfs/dbraw/zinc/05/10/94/1048051094.db2.gz YPGHTUCPEAWZAV-FZKQIMNGSA-N 1 0 349.858 4.137 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2ncccc2Cl)c1O ZINC000808705999 1048054350 /nfs/dbraw/zinc/05/43/50/1048054350.db2.gz BUEZQGZXLGGCKH-NSHDSACASA-N 1 0 341.238 4.132 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1O ZINC000808707299 1048054605 /nfs/dbraw/zinc/05/46/05/1048054605.db2.gz KMAHLTZGOQPATJ-ZBEGNZNMSA-N 1 0 340.250 4.392 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)c1O ZINC000808713040 1048060679 /nfs/dbraw/zinc/06/06/79/1048060679.db2.gz KOBKEBCIOQVQTM-AWEZNQCLSA-N 1 0 348.874 4.468 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1nc(C)cs1 ZINC000825252907 1048061171 /nfs/dbraw/zinc/06/11/71/1048061171.db2.gz BFJNHWHUKIUAEE-GFCCVEGCSA-N 1 0 341.274 4.161 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2(c3ccccc3)CCOCC2)cc1Cl ZINC000825287716 1048062389 /nfs/dbraw/zinc/06/23/89/1048062389.db2.gz LUEBMNVAKJGQLV-UHFFFAOYSA-N 1 0 331.843 4.150 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312003 1048074661 /nfs/dbraw/zinc/07/46/61/1048074661.db2.gz PXMJXEXFQVJEAS-GOSISDBHSA-N 1 0 331.481 4.064 20 10 EICDRO C[C@@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccc(N(C)C)cc1 ZINC000808748705 1048081500 /nfs/dbraw/zinc/08/15/00/1048081500.db2.gz YOFAZADBRSXRTF-CYBMUJFWSA-N 1 0 346.858 4.028 20 10 EICDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000825519711 1048107703 /nfs/dbraw/zinc/10/77/03/1048107703.db2.gz KKQVUHRNUFBJEQ-UHFFFAOYSA-N 1 0 334.803 4.287 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)ccc1N(C)C ZINC000815055303 1048305794 /nfs/dbraw/zinc/30/57/94/1048305794.db2.gz ZNMCFVRLUAIJFK-NRFANRHFSA-N 1 0 338.495 4.100 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1 ZINC000815115799 1048328949 /nfs/dbraw/zinc/32/89/49/1048328949.db2.gz NESFEYRNOLEIER-UHFFFAOYSA-N 1 0 349.478 4.401 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114062 1048329319 /nfs/dbraw/zinc/32/93/19/1048329319.db2.gz NMTCAHMMILDCKW-CVEARBPZSA-N 1 0 327.299 4.077 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000815104603 1048347361 /nfs/dbraw/zinc/34/73/61/1048347361.db2.gz NYLJEYVTPFPCGS-IBGZPJMESA-N 1 0 332.875 4.273 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000815152989 1048348909 /nfs/dbraw/zinc/34/89/09/1048348909.db2.gz DMIKCJSHZIAFPA-UHFFFAOYSA-N 1 0 331.721 4.076 20 10 EICDRO CCOc1cccc(C[NH2+]CCc2cc3ccccc3s2)c1O ZINC000815148576 1048368992 /nfs/dbraw/zinc/36/89/92/1048368992.db2.gz AGOTXVRFFJQBDZ-UHFFFAOYSA-N 1 0 327.449 4.338 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000809689948 1048455820 /nfs/dbraw/zinc/45/58/20/1048455820.db2.gz FQORCDQJTBGPPX-HXUWFJFHSA-N 1 0 347.405 4.463 20 10 EICDRO Cc1cccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1O ZINC000809735388 1048484278 /nfs/dbraw/zinc/48/42/78/1048484278.db2.gz DXEFEVKYCVPJFY-UHFFFAOYSA-N 1 0 332.447 4.341 20 10 EICDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1 ZINC000809712774 1048490428 /nfs/dbraw/zinc/49/04/28/1048490428.db2.gz DYKARDBVUIUKTK-GXTWGEPZSA-N 1 0 344.318 4.165 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1O ZINC000809737656 1048507709 /nfs/dbraw/zinc/50/77/09/1048507709.db2.gz INEFXDYLJXGGRN-UHFFFAOYSA-N 1 0 347.842 4.172 20 10 EICDRO Cc1nccn1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815561189 1048509494 /nfs/dbraw/zinc/50/94/94/1048509494.db2.gz AMLVQKDHTGFFEU-NRFANRHFSA-N 1 0 349.478 4.251 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCCn1ccnc1 ZINC000815562942 1048509633 /nfs/dbraw/zinc/50/96/33/1048509633.db2.gz QBMIHVUSDVYCAH-NRFANRHFSA-N 1 0 349.478 4.333 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)c1O ZINC000809739528 1048509762 /nfs/dbraw/zinc/50/97/62/1048509762.db2.gz NGLRYTDZHBDUKY-RDJZCZTQSA-N 1 0 331.843 4.480 20 10 EICDRO COc1cccc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)c1O ZINC000809739542 1048509910 /nfs/dbraw/zinc/50/99/10/1048509910.db2.gz NMGGIYQIEYCNIO-GFCCVEGCSA-N 1 0 339.357 4.140 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C2CC2)c1 ZINC000815563513 1048510347 /nfs/dbraw/zinc/51/03/47/1048510347.db2.gz FSZFIAZUAQHOPD-QGZVFWFLSA-N 1 0 336.479 4.251 20 10 EICDRO COCC[N@H+](Cc1cccnc1)Cc1cc(-c2ccccc2)ccc1O ZINC000809740692 1048511648 /nfs/dbraw/zinc/51/16/48/1048511648.db2.gz AQKBJGFKUGMMQA-UHFFFAOYSA-N 1 0 348.446 4.103 20 10 EICDRO C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N(C)C1CC1 ZINC000815576143 1048515651 /nfs/dbraw/zinc/51/56/51/1048515651.db2.gz KNHFIUYWPAAXNK-UTKZUKDTSA-N 1 0 338.495 4.138 20 10 EICDRO C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N(C)C1CC1 ZINC000815576141 1048517256 /nfs/dbraw/zinc/51/72/56/1048517256.db2.gz KNHFIUYWPAAXNK-DYESRHJHSA-N 1 0 338.495 4.138 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCC1CC1 ZINC000815578723 1048518589 /nfs/dbraw/zinc/51/85/89/1048518589.db2.gz UTWMTJYVVJZDJW-FQEVSTJZSA-N 1 0 325.452 4.082 20 10 EICDRO Cc1cccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1O ZINC000809754951 1048519068 /nfs/dbraw/zinc/51/90/68/1048519068.db2.gz GDUKZRWMEQVTFV-MRXNPFEDSA-N 1 0 340.250 4.221 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCNc1ccccn1 ZINC000815582485 1048520220 /nfs/dbraw/zinc/52/02/20/1048520220.db2.gz HSTXQVHQLWAOBC-HXUWFJFHSA-N 1 0 347.462 4.163 20 10 EICDRO C[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCCO1 ZINC000815587734 1048524488 /nfs/dbraw/zinc/52/44/88/1048524488.db2.gz RTNYUSLNUVNKDY-PZJWPPBQSA-N 1 0 325.452 4.225 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1C ZINC000809763255 1048524729 /nfs/dbraw/zinc/52/47/29/1048524729.db2.gz MXLKRNSCJHIHKT-LJQANCHMSA-N 1 0 341.451 4.182 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(O)c1 ZINC000815587991 1048525619 /nfs/dbraw/zinc/52/56/19/1048525619.db2.gz ZUCAIOVWNHVGHR-HUUCEWRRSA-N 1 0 346.421 4.217 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1C ZINC000809763254 1048525862 /nfs/dbraw/zinc/52/58/62/1048525862.db2.gz MXLKRNSCJHIHKT-IBGZPJMESA-N 1 0 341.451 4.182 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000815593599 1048528198 /nfs/dbraw/zinc/52/81/98/1048528198.db2.gz RHARJJCUJGICKD-CQSZACIVSA-N 1 0 330.497 4.238 20 10 EICDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000809781153 1048530103 /nfs/dbraw/zinc/53/01/03/1048530103.db2.gz PGOBBXSHIWCEPT-MRXNPFEDSA-N 1 0 345.439 4.001 20 10 EICDRO CCC(O)(CC)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815572316 1048535090 /nfs/dbraw/zinc/53/50/90/1048535090.db2.gz ZXNYKDGSPIZJBQ-LJQANCHMSA-N 1 0 327.468 4.207 20 10 EICDRO COC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1 ZINC000815613951 1048539901 /nfs/dbraw/zinc/53/99/01/1048539901.db2.gz BJJCIPBADOIDRQ-IBGZPJMESA-N 1 0 325.452 4.225 20 10 EICDRO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000844924253 1048548846 /nfs/dbraw/zinc/54/88/46/1048548846.db2.gz ODNROGMHDOGNDJ-NSHDSACASA-N 1 0 339.266 4.269 20 10 EICDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815626001 1048551262 /nfs/dbraw/zinc/55/12/62/1048551262.db2.gz RVPNYOKKMFCFCT-QFUCXCTJSA-N 1 0 339.479 4.328 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815643858 1048569690 /nfs/dbraw/zinc/56/96/90/1048569690.db2.gz MZHMHZMYSHMBAB-KGLIPLIRSA-N 1 0 325.387 4.129 20 10 EICDRO CCOC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCCC1 ZINC000815644810 1048569930 /nfs/dbraw/zinc/56/99/30/1048569930.db2.gz MMEXGQZMXKMQQD-LBPRGKRZSA-N 1 0 342.277 4.155 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2c(F)cc(F)cc2F)c2c1c(F)ccc2O ZINC000815649820 1048572382 /nfs/dbraw/zinc/57/23/82/1048572382.db2.gz ZSMQUIJYNBXYKE-CLAHSXSESA-N 1 0 325.305 4.287 20 10 EICDRO CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810217706 1048685681 /nfs/dbraw/zinc/68/56/81/1048685681.db2.gz AQTSEKJFFIIHAL-HNNXBMFYSA-N 1 0 341.377 4.429 20 10 EICDRO CC[C@H]([NH2+]Cc1scnc1C)c1ccc(C(F)(F)F)cc1O ZINC000810217189 1048686108 /nfs/dbraw/zinc/68/61/08/1048686108.db2.gz XXTJEFMWBLZTHO-LBPRGKRZSA-N 1 0 330.375 4.417 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810220170 1048687904 /nfs/dbraw/zinc/68/79/04/1048687904.db2.gz RCAXTJNKTUKCHJ-WMHQRMGPSA-N 1 0 343.389 4.265 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)[C@@H]1CCCO1 ZINC000810229143 1048695623 /nfs/dbraw/zinc/69/56/23/1048695623.db2.gz SZWMJZJSVLAIQE-LZWOXQAQSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810208219 1048705863 /nfs/dbraw/zinc/70/58/63/1048705863.db2.gz TYWCWXQZOSHSDM-DOTOQJQBSA-N 1 0 339.357 4.185 20 10 EICDRO CC[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)OCCc2ccccc21 ZINC000810243982 1048724527 /nfs/dbraw/zinc/72/45/27/1048724527.db2.gz WLSOGEDDDOBRPV-IERDGZPVSA-N 1 0 325.452 4.229 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000845971364 1048769547 /nfs/dbraw/zinc/76/95/47/1048769547.db2.gz JEVIFJJNYRWLCS-SECBINFHSA-N 1 0 331.359 4.332 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000845971604 1048770984 /nfs/dbraw/zinc/77/09/84/1048770984.db2.gz MAAKRBRCBACOSB-UQPPLGOBSA-N 1 0 333.472 4.322 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000845971032 1048772152 /nfs/dbraw/zinc/77/21/52/1048772152.db2.gz GPPZUCWPJJNKMX-FFKNIBCLSA-N 1 0 333.378 4.276 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)CSc2ccccc2)cc1OC ZINC000846000998 1048779919 /nfs/dbraw/zinc/77/99/19/1048779919.db2.gz YEEADKGLOCOVIP-AWEZNQCLSA-N 1 0 347.480 4.022 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000816480316 1048810403 /nfs/dbraw/zinc/81/04/03/1048810403.db2.gz JSQIWPCLLQDBMX-UHFFFAOYSA-N 1 0 349.425 4.189 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2O)c(OC)c1 ZINC000816481634 1048813039 /nfs/dbraw/zinc/81/30/39/1048813039.db2.gz CNBWISAKJVNJKS-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488255 1048813848 /nfs/dbraw/zinc/81/38/48/1048813848.db2.gz NPANZPFFQFTJFN-HXUWFJFHSA-N 1 0 337.394 4.258 20 10 EICDRO C[N@H+](Cc1ccc(Sc2ccccn2)o1)Cc1ccccc1O ZINC000816492818 1048814416 /nfs/dbraw/zinc/81/44/16/1048814416.db2.gz FAGWLRAROKOYFU-UHFFFAOYSA-N 1 0 326.421 4.163 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816488254 1048814651 /nfs/dbraw/zinc/81/46/51/1048814651.db2.gz NPANZPFFQFTJFN-FQEVSTJZSA-N 1 0 337.394 4.258 20 10 EICDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846148356 1048823376 /nfs/dbraw/zinc/82/33/76/1048823376.db2.gz QNGGPIGDUKYTJY-LSDHHAIUSA-N 1 0 329.440 4.254 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000846149542 1048823661 /nfs/dbraw/zinc/82/36/61/1048823661.db2.gz ILRRSEAPHSOCHP-YOEHRIQHSA-N 1 0 339.435 4.498 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1O ZINC000846150547 1048823953 /nfs/dbraw/zinc/82/39/53/1048823953.db2.gz RGUVPXZVHSJODF-HZPDHXFCSA-N 1 0 340.467 4.413 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153224 1048824629 /nfs/dbraw/zinc/82/46/29/1048824629.db2.gz HZQXPSYSJXVBLL-BLLLJJGKSA-N 1 0 345.414 4.493 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000846153565 1048824830 /nfs/dbraw/zinc/82/48/30/1048824830.db2.gz HSBJAPYXFBYSGK-OLZOCXBDSA-N 1 0 330.384 4.029 20 10 EICDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846157616 1048825093 /nfs/dbraw/zinc/82/50/93/1048825093.db2.gz NAQMWOVYUHKLNY-AWEZNQCLSA-N 1 0 329.440 4.038 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccco1 ZINC000816543662 1048826497 /nfs/dbraw/zinc/82/64/97/1048826497.db2.gz JNZJDOKERKCZDJ-IBGZPJMESA-N 1 0 338.451 4.311 20 10 EICDRO Oc1c(C[NH2+]Cc2cc(-c3ccccc3)on2)ccc2ccccc21 ZINC000816544679 1048827156 /nfs/dbraw/zinc/82/71/56/1048827156.db2.gz PFLLCYBRZPVQIL-UHFFFAOYSA-N 1 0 330.387 4.490 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c1O ZINC000846170483 1048827860 /nfs/dbraw/zinc/82/78/60/1048827860.db2.gz LJNHQFMSWJWLRC-ZIAGYGMSSA-N 1 0 345.439 4.138 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C)c3ccccc32)c1O ZINC000846168559 1048827904 /nfs/dbraw/zinc/82/79/04/1048827904.db2.gz KGLQCTYORMSYNV-RHSMWYFYSA-N 1 0 326.440 4.023 20 10 EICDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2)c1 ZINC000846168241 1048827958 /nfs/dbraw/zinc/82/79/58/1048827958.db2.gz IXWASAHZAWHDAQ-BPUTZDHNSA-N 1 0 327.424 4.006 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)cc1OC ZINC000846137781 1048830812 /nfs/dbraw/zinc/83/08/12/1048830812.db2.gz GWMCCTPNMWVSPB-CQSZACIVSA-N 1 0 345.439 4.049 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1O ZINC000846140209 1048830886 /nfs/dbraw/zinc/83/08/86/1048830886.db2.gz JJEOWPGIACXTOF-SNVBAGLBSA-N 1 0 343.320 4.410 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)c1O ZINC000846142371 1048831443 /nfs/dbraw/zinc/83/14/43/1048831443.db2.gz SDXFLMXJVWZGAM-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c1O ZINC000846142678 1048831957 /nfs/dbraw/zinc/83/19/57/1048831957.db2.gz GIOXZIZOQFUIKH-XHDPSFHLSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC(C)C)c2)c1O ZINC000846146444 1048832491 /nfs/dbraw/zinc/83/24/91/1048832491.db2.gz RSDHBFGKLQESOD-OAHLLOKOSA-N 1 0 329.440 4.286 20 10 EICDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816590645 1048833004 /nfs/dbraw/zinc/83/30/04/1048833004.db2.gz HKRYZMHUOYWPNG-HXOBKFHXSA-N 1 0 349.474 4.265 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145854 1048833553 /nfs/dbraw/zinc/83/35/53/1048833553.db2.gz QPFUJRAWQQNJMZ-UGSOOPFHSA-N 1 0 339.439 4.325 20 10 EICDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816554769 1048834361 /nfs/dbraw/zinc/83/43/61/1048834361.db2.gz IQTHPPFBSIRCSK-OAHLLOKOSA-N 1 0 337.419 4.111 20 10 EICDRO Oc1c(C[NH2+]Cc2ccnc(N3CCCCC3)c2)ccc2ccccc21 ZINC000816561649 1048836070 /nfs/dbraw/zinc/83/60/70/1048836070.db2.gz GLYLURDIFMTYLZ-UHFFFAOYSA-N 1 0 347.462 4.221 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000846185082 1048837398 /nfs/dbraw/zinc/83/73/98/1048837398.db2.gz YMKQLMBMMOKZGL-UAOJZALGSA-N 1 0 330.447 4.055 20 10 EICDRO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc3ccccc3c1O)n2C ZINC000816570971 1048839078 /nfs/dbraw/zinc/83/90/78/1048839078.db2.gz NIMPDGRJXRLKSL-UHFFFAOYSA-N 1 0 331.419 4.030 20 10 EICDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816609179 1048843939 /nfs/dbraw/zinc/84/39/39/1048843939.db2.gz UQHSMCWMBVDGKZ-UHFFFAOYSA-N 1 0 336.391 4.014 20 10 EICDRO Oc1c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc2ccccc21 ZINC000816614802 1048845288 /nfs/dbraw/zinc/84/52/88/1048845288.db2.gz GCAQUHSDPSSISC-FQEVSTJZSA-N 1 0 344.458 4.182 20 10 EICDRO Oc1c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc2ccccc21 ZINC000816617183 1048845540 /nfs/dbraw/zinc/84/55/40/1048845540.db2.gz QGCXGGPMQUDHOX-KRWDZBQOSA-N 1 0 336.410 4.053 20 10 EICDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000846211722 1048848970 /nfs/dbraw/zinc/84/89/70/1048848970.db2.gz IFSIVLYSNYWEHN-CQSZACIVSA-N 1 0 334.891 4.160 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000817411172 1048965407 /nfs/dbraw/zinc/96/54/07/1048965407.db2.gz OAZRNTKOFFZSNL-GOSISDBHSA-N 1 0 330.541 4.300 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C(F)(F)F)cc1O ZINC000817415732 1048966303 /nfs/dbraw/zinc/96/63/03/1048966303.db2.gz XQHKBXPYXABGFQ-NFAWXSAZSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCO1 ZINC000817587591 1049018822 /nfs/dbraw/zinc/01/88/22/1049018822.db2.gz ZDDPBWNUNYLMDY-RYQLBKOJSA-N 1 0 334.479 4.424 20 10 EICDRO CC1CCN(c2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000817901326 1049057007 /nfs/dbraw/zinc/05/70/07/1049057007.db2.gz BTHIOVYBVFMYIE-YADHBBJMSA-N 1 0 335.495 4.157 20 10 EICDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942780 1049060708 /nfs/dbraw/zinc/06/07/08/1049060708.db2.gz QYNUEXOVBKSRNM-GJZGRUSLSA-N 1 0 337.920 4.208 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000817955807 1049067896 /nfs/dbraw/zinc/06/78/96/1049067896.db2.gz IFUYVYPGZWBGFJ-KBPBESRZSA-N 1 0 325.481 4.203 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817976434 1049074081 /nfs/dbraw/zinc/07/40/81/1049074081.db2.gz XVADVCAAQKEOIO-SJORKVTESA-N 1 0 326.440 4.318 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1O ZINC000817975662 1049074771 /nfs/dbraw/zinc/07/47/71/1049074771.db2.gz PRIQVTGHRGYUFJ-BDJLRTHQSA-N 1 0 330.403 4.067 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2O ZINC000817974911 1049075983 /nfs/dbraw/zinc/07/59/83/1049075983.db2.gz HKMGPBCVEJFTAQ-SJCJKPOMSA-N 1 0 326.415 4.228 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984801 1049076506 /nfs/dbraw/zinc/07/65/06/1049076506.db2.gz AFZXUDOJUNIDAW-FZMZJTMJSA-N 1 0 343.298 4.414 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc2c(cc1O)CCCC2 ZINC000817978132 1049076715 /nfs/dbraw/zinc/07/67/15/1049076715.db2.gz WQWFUYRVVNALOE-OAHLLOKOSA-N 1 0 336.479 4.480 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Br)ccc1O ZINC000817981339 1049077112 /nfs/dbraw/zinc/07/71/12/1049077112.db2.gz RECPSVKREFNZBJ-MRXNPFEDSA-N 1 0 349.272 4.286 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000811510865 1049124093 /nfs/dbraw/zinc/12/40/93/1049124093.db2.gz QJFAFQZYLUKZDF-PMACEKPBSA-N 1 0 328.500 4.066 20 10 EICDRO Oc1ccc(F)cc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000811512505 1049125922 /nfs/dbraw/zinc/12/59/22/1049125922.db2.gz MZGNFIKZOKKXHH-UHFFFAOYSA-N 1 0 344.361 4.191 20 10 EICDRO Oc1ccc(CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1O ZINC000811810779 1049275477 /nfs/dbraw/zinc/27/54/77/1049275477.db2.gz BQUDFGSOKKEBTP-UHFFFAOYSA-N 1 0 348.324 4.319 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)ccc1N(C)C ZINC000772994815 1049378733 /nfs/dbraw/zinc/37/87/33/1049378733.db2.gz BQIUYVSVQQJUAL-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670049 1049392796 /nfs/dbraw/zinc/39/27/96/1049392796.db2.gz PPVGKKMLHKBFSG-SFHVURJKSA-N 1 0 339.385 4.471 20 10 EICDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1OC ZINC000773002609 1049514894 /nfs/dbraw/zinc/51/48/94/1049514894.db2.gz WOEWYYLIKNPDPL-INIZCTEOSA-N 1 0 342.483 4.237 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)cc1 ZINC000773009856 1049525364 /nfs/dbraw/zinc/52/53/64/1049525364.db2.gz DBZAKLNDUVVMOK-IFXJQAMLSA-N 1 0 332.875 4.180 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000773045970 1049551887 /nfs/dbraw/zinc/55/18/87/1049551887.db2.gz KMAADUCFDQYWHF-AVYPCKFXSA-N 1 0 330.447 4.055 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc2c(cc1O)CCCC2 ZINC000812738632 1049556426 /nfs/dbraw/zinc/55/64/26/1049556426.db2.gz XUUGLWCIBXNUEB-CQSZACIVSA-N 1 0 335.451 4.009 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000812735920 1049557826 /nfs/dbraw/zinc/55/78/26/1049557826.db2.gz IEKANSBYKOVYMV-HOTGVXAUSA-N 1 0 328.431 4.017 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1O ZINC000812735137 1049557854 /nfs/dbraw/zinc/55/78/54/1049557854.db2.gz PLSAEVALKGJIRB-GFCCVEGCSA-N 1 0 329.831 4.092 20 10 EICDRO Oc1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000812773921 1049572402 /nfs/dbraw/zinc/57/24/02/1049572402.db2.gz ZXHCHPNTUITDBB-KOMQPUFPSA-N 1 0 332.241 4.191 20 10 EICDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812880928 1049620465 /nfs/dbraw/zinc/62/04/65/1049620465.db2.gz GYSFTCIZKYXPON-CABCVRRESA-N 1 0 347.352 4.287 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000179568792 1049678206 /nfs/dbraw/zinc/67/82/06/1049678206.db2.gz HGTWSKVPXOHNKE-QGZVFWFLSA-N 1 0 335.407 4.169 20 10 EICDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363303 1049704401 /nfs/dbraw/zinc/70/44/01/1049704401.db2.gz HGPDKPCCSFRXNR-CYBMUJFWSA-N 1 0 346.268 4.105 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000813331752 1049752812 /nfs/dbraw/zinc/75/28/12/1049752812.db2.gz UCDDGKOXNCBQLM-SNVBAGLBSA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000813331843 1049752970 /nfs/dbraw/zinc/75/29/70/1049752970.db2.gz WIVNNVJCNAVTRH-SNVBAGLBSA-N 1 0 343.320 4.410 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C3CCCC3)s2)c1 ZINC000813330730 1049753479 /nfs/dbraw/zinc/75/34/79/1049753479.db2.gz FSBIRMVXXFDLRB-LBPRGKRZSA-N 1 0 332.469 4.366 20 10 EICDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000822344982 1049756767 /nfs/dbraw/zinc/75/67/67/1049756767.db2.gz SZOHTWNZFBPFBL-UHFFFAOYSA-N 1 0 347.462 4.342 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)ccc1OC ZINC000747853755 1049769500 /nfs/dbraw/zinc/76/95/00/1049769500.db2.gz GTJJBULAXASBDP-KBXCAEBGSA-N 1 0 329.440 4.238 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000813792795 1049818475 /nfs/dbraw/zinc/81/84/75/1049818475.db2.gz COUZNJXVLLIFSL-MGPUTAFESA-N 1 0 344.524 4.386 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2O ZINC000813883499 1049831351 /nfs/dbraw/zinc/83/13/51/1049831351.db2.gz OEEGXYSDPAMCIK-DVOMOZLQSA-N 1 0 344.405 4.087 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000813884712 1049831910 /nfs/dbraw/zinc/83/19/10/1049831910.db2.gz KYDNOEOHPMQALM-NJSLBKSFSA-N 1 0 330.497 4.167 20 10 EICDRO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172338081 1049887792 /nfs/dbraw/zinc/88/77/92/1049887792.db2.gz ACYNOFJHYNKIIU-CVEARBPZSA-N 1 0 344.499 4.139 20 10 EICDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001177209670 1050161249 /nfs/dbraw/zinc/16/12/49/1050161249.db2.gz QGZSXEBBIOXNBK-HKUYNNGSSA-N 1 0 348.506 4.357 20 10 EICDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001177209672 1050163339 /nfs/dbraw/zinc/16/33/39/1050163339.db2.gz QGZSXEBBIOXNBK-MJGOQNOKSA-N 1 0 348.506 4.357 20 10 EICDRO COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)c(O)c1 ZINC001203627757 1050174788 /nfs/dbraw/zinc/17/47/88/1050174788.db2.gz NKSLACZBYFROMD-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO Fc1cc(C[NH2+]C2CCC(C3CCC3)CC2)ccc1N1CCOCC1 ZINC001177334694 1050194410 /nfs/dbraw/zinc/19/44/10/1050194410.db2.gz WWPHREWHOWIDEO-UHFFFAOYSA-N 1 0 346.490 4.111 20 10 EICDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001177334726 1050194577 /nfs/dbraw/zinc/19/45/77/1050194577.db2.gz YOLLZSBFHNTNSN-IEBWSBKVSA-N 1 0 348.506 4.357 20 10 EICDRO Cc1c2ccccc2n(C)c1CNCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001177492033 1050229448 /nfs/dbraw/zinc/22/94/48/1050229448.db2.gz MAMZMNIKGWRAOR-IRXDYDNUSA-N 1 0 341.543 4.333 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC001177515302 1050234691 /nfs/dbraw/zinc/23/46/91/1050234691.db2.gz LRHWWSWQODEVAY-INIZCTEOSA-N 1 0 333.479 4.028 20 10 EICDRO CCCOc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1C ZINC001177525638 1050241282 /nfs/dbraw/zinc/24/12/82/1050241282.db2.gz ZJSCUYQFJLCMGT-UHFFFAOYSA-N 1 0 337.467 4.383 20 10 EICDRO C[C@H](COc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001177769438 1050295787 /nfs/dbraw/zinc/29/57/87/1050295787.db2.gz IZFDZCLHOJJXOM-QGZVFWFLSA-N 1 0 342.458 4.373 20 10 EICDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nc2ccccc2n1C ZINC001177904505 1050325018 /nfs/dbraw/zinc/32/50/18/1050325018.db2.gz JOGVLJHPCGHNJA-XITLMJRVSA-N 1 0 334.467 4.003 20 10 EICDRO CC[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)Oc1cccc(F)c1 ZINC001177943256 1050340893 /nfs/dbraw/zinc/34/08/93/1050340893.db2.gz PVFQYPAJZIPMIC-HCZHMGAMSA-N 1 0 342.458 4.352 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229790 1050357056 /nfs/dbraw/zinc/35/70/56/1050357056.db2.gz ACIVDHZXZPYLPR-MRXNPFEDSA-N 1 0 341.455 4.114 20 10 EICDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c(O)cc(C)cc1Cl)C2 ZINC001178294848 1050431521 /nfs/dbraw/zinc/43/15/21/1050431521.db2.gz CVBBYUMJYBTQSF-HNNXBMFYSA-N 1 0 331.843 4.010 20 10 EICDRO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC001203650986 1050452847 /nfs/dbraw/zinc/45/28/47/1050452847.db2.gz HMWHJOXTRNGFJR-UHFFFAOYSA-N 1 0 347.842 4.001 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173480874 1050461895 /nfs/dbraw/zinc/46/18/95/1050461895.db2.gz CXECMAOPXDXKAK-UHFFFAOYSA-N 1 0 330.422 4.020 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1C ZINC001178493077 1050467904 /nfs/dbraw/zinc/46/79/04/1050467904.db2.gz SIFXFDHZCHEOMJ-SFHVURJKSA-N 1 0 329.488 4.047 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000773753367 1050507972 /nfs/dbraw/zinc/50/79/72/1050507972.db2.gz HSVPKESLZQCUFR-RBUKOAKNSA-N 1 0 344.524 4.292 20 10 EICDRO CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC001178689031 1050532251 /nfs/dbraw/zinc/53/22/51/1050532251.db2.gz QQCLMPPCIQCPNT-MRXNPFEDSA-N 1 0 325.452 4.302 20 10 EICDRO CCCOc1ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)cc1C ZINC001178762997 1050549001 /nfs/dbraw/zinc/54/90/01/1050549001.db2.gz WTOFJYWNIHBZCI-OAQYLSRUSA-N 1 0 327.468 4.435 20 10 EICDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CS1 ZINC001178950427 1050595092 /nfs/dbraw/zinc/59/50/92/1050595092.db2.gz NWVIPRFRECFCLE-GOEBONIOSA-N 1 0 332.538 4.368 20 10 EICDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001179081102 1050627119 /nfs/dbraw/zinc/62/71/19/1050627119.db2.gz ADJKDAHWQWYPEK-JXFKEZNVSA-N 1 0 346.540 4.271 20 10 EICDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3C)C2)cc1 ZINC001179128589 1050636629 /nfs/dbraw/zinc/63/66/29/1050636629.db2.gz ANEWSFPTWDJFSZ-QGZVFWFLSA-N 1 0 330.859 4.026 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000182407332 1050648599 /nfs/dbraw/zinc/64/85/99/1050648599.db2.gz YDNIINVHFMHSJE-LBPRGKRZSA-N 1 0 342.370 4.046 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000773811471 1050668922 /nfs/dbraw/zinc/66/89/22/1050668922.db2.gz NJNLSFDTMAGZOG-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccnn2CC(C)C)c(C)n1-c1ccccc1 ZINC001179333143 1050677736 /nfs/dbraw/zinc/67/77/36/1050677736.db2.gz QZBLWIKFQRLFMV-UHFFFAOYSA-N 1 0 336.483 4.236 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1ccc2c(c1)OCCO2 ZINC000773815044 1050701618 /nfs/dbraw/zinc/70/16/18/1050701618.db2.gz XSWNSRYCTZIJLG-LJQANCHMSA-N 1 0 340.467 4.155 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001179686354 1050747356 /nfs/dbraw/zinc/74/73/56/1050747356.db2.gz VYSWAOHTOOIPFT-MRXNPFEDSA-N 1 0 339.439 4.088 20 10 EICDRO Cc1ccc2[nH]cc(CC[NH2+]Cc3cc(F)c(N(C)C)cc3F)c2c1 ZINC001179780739 1050770703 /nfs/dbraw/zinc/77/07/03/1050770703.db2.gz SLEWBQFJWZZUHR-UHFFFAOYSA-N 1 0 343.421 4.153 20 10 EICDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001179967107 1050850674 /nfs/dbraw/zinc/85/06/74/1050850674.db2.gz YDWYULXONHGCSL-MRXNPFEDSA-N 1 0 349.833 4.400 20 10 EICDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(OC)c2)c1O ZINC001179966791 1050851190 /nfs/dbraw/zinc/85/11/90/1050851190.db2.gz SWTWHLSZVNJBEE-LJQANCHMSA-N 1 0 325.452 4.170 20 10 EICDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)c(C)cc1O ZINC001180108853 1050887583 /nfs/dbraw/zinc/88/75/83/1050887583.db2.gz YQNTUXHIWWWWJR-UHFFFAOYSA-N 1 0 349.858 4.393 20 10 EICDRO CC(C)c1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000182948701 1050902986 /nfs/dbraw/zinc/90/29/86/1050902986.db2.gz SRULFQUMYRFIAE-MRXNPFEDSA-N 1 0 346.496 4.153 20 10 EICDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c(O)c1 ZINC001180194879 1050926741 /nfs/dbraw/zinc/92/67/41/1050926741.db2.gz NAAUCZFYXRLMOE-CTNGQTDRSA-N 1 0 325.452 4.300 20 10 EICDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001180289286 1050956601 /nfs/dbraw/zinc/95/66/01/1050956601.db2.gz YSEZUMSMUVTSEQ-NQIIRXRSSA-N 1 0 338.495 4.186 20 10 EICDRO CC[N@H+](CCCc1ccc2c(c1)CCO2)Cc1ccc(N(C)C)cc1 ZINC001180480003 1051000846 /nfs/dbraw/zinc/00/08/46/1051000846.db2.gz VGYBQULLVGHJQB-UHFFFAOYSA-N 1 0 338.495 4.142 20 10 EICDRO Cc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)c1 ZINC001180462372 1051008619 /nfs/dbraw/zinc/00/86/19/1051008619.db2.gz JZYHLVDNCLHFIE-UHFFFAOYSA-N 1 0 332.447 4.176 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000183421489 1051116845 /nfs/dbraw/zinc/11/68/45/1051116845.db2.gz UNQUMBBENRJMAS-ROUUACIJSA-N 1 0 338.495 4.475 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1O ZINC000183454937 1051126662 /nfs/dbraw/zinc/12/66/62/1051126662.db2.gz URQDDVOFBQTDRA-AWEZNQCLSA-N 1 0 336.391 4.088 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2cccc(Cl)c2)c1 ZINC000775371919 1051141403 /nfs/dbraw/zinc/14/14/03/1051141403.db2.gz VHGQTWAHGPYSGB-ZDUSSCGKSA-N 1 0 335.831 4.174 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)c1 ZINC000183643542 1051202020 /nfs/dbraw/zinc/20/20/20/1051202020.db2.gz IBYLBAHDABYFMW-MRVPVSSYSA-N 1 0 346.374 4.035 20 10 EICDRO CCC1CCC([N@H+](CCO)Cc2cc(Cl)c(C)cc2O)CC1 ZINC001181418494 1051218753 /nfs/dbraw/zinc/21/87/53/1051218753.db2.gz MVGPMOCEUVWWLV-UHFFFAOYSA-N 1 0 325.880 4.117 20 10 EICDRO CCCCn1cc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)c(C)n1 ZINC000773411299 1051225857 /nfs/dbraw/zinc/22/58/57/1051225857.db2.gz ZIPKKODQNUUPDH-UHFFFAOYSA-N 1 0 346.494 4.267 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(Sc3ccccc3)C2)c1 ZINC001181544011 1051250843 /nfs/dbraw/zinc/25/08/43/1051250843.db2.gz JXMFNSNSGMJHKY-TUBUQKNSSA-N 1 0 329.465 4.375 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)cc1Cl ZINC001182114569 1051392628 /nfs/dbraw/zinc/39/26/28/1051392628.db2.gz AEFATNAFTPIVOI-CQSZACIVSA-N 1 0 348.849 4.204 20 10 EICDRO CN(c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C1CCCCC1 ZINC000774159059 1051488626 /nfs/dbraw/zinc/48/86/26/1051488626.db2.gz MLYGGWGENAIHAH-CZAFVFSZSA-N 1 0 341.543 4.170 20 10 EICDRO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141974 1051493568 /nfs/dbraw/zinc/49/35/68/1051493568.db2.gz FNHYVHCSPITJJE-NSHDSACASA-N 1 0 343.298 4.367 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213503 1051497235 /nfs/dbraw/zinc/49/72/35/1051497235.db2.gz OAKARJXDXSKEBH-QJPTWQEYSA-N 1 0 331.287 4.222 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc2ccccc2c1 ZINC001175419126 1051580049 /nfs/dbraw/zinc/58/00/49/1051580049.db2.gz RZJWHNLIDMJOJE-HUUCEWRRSA-N 1 0 334.419 4.223 20 10 EICDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000775494314 1051598961 /nfs/dbraw/zinc/59/89/61/1051598961.db2.gz ZUULGTIYLXNKAU-CQSZACIVSA-N 1 0 346.462 4.451 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1cc(Cl)ccc1O ZINC000775493891 1051602581 /nfs/dbraw/zinc/60/25/81/1051602581.db2.gz WHBPMGGXOOKECM-HNNXBMFYSA-N 1 0 335.831 4.304 20 10 EICDRO CC[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493485 1051603759 /nfs/dbraw/zinc/60/37/59/1051603759.db2.gz TVTZBEYMFKIOOB-NVXWUHKLSA-N 1 0 335.879 4.398 20 10 EICDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484079 1051610150 /nfs/dbraw/zinc/61/01/50/1051610150.db2.gz OBPCFLGWYJBMSM-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484018 1051612200 /nfs/dbraw/zinc/61/22/00/1051612200.db2.gz RRVGLIVHBSCESX-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@H]([NH2+]Cc1cn2ccc(C)cc2n1)c1cc(Cl)ccc1O ZINC000775499726 1051624473 /nfs/dbraw/zinc/62/44/73/1051624473.db2.gz UXQGVYHOPUMEDX-INIZCTEOSA-N 1 0 329.831 4.243 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)cc1OC ZINC001182534579 1051633740 /nfs/dbraw/zinc/63/37/40/1051633740.db2.gz WPLVVMHNXZSPAZ-GOEBONIOSA-N 1 0 333.472 4.058 20 10 EICDRO CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccccc1O ZINC000775502346 1051643586 /nfs/dbraw/zinc/64/35/86/1051643586.db2.gz VHELPYBKJJEFEK-OAHLLOKOSA-N 1 0 330.497 4.401 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1O ZINC000775504183 1051644171 /nfs/dbraw/zinc/64/41/71/1051644171.db2.gz VDGFFRNYTYTHJO-QMTHXVAHSA-N 1 0 345.830 4.429 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Cl)ccc1O ZINC000775504511 1051644456 /nfs/dbraw/zinc/64/44/56/1051644456.db2.gz ZOALYJPZDSBIJH-ZBEGNZNMSA-N 1 0 347.846 4.338 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775506726 1051645978 /nfs/dbraw/zinc/64/59/78/1051645978.db2.gz CSJGXXABTZXTJT-PBQZTSCYSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1O ZINC000775508975 1051648775 /nfs/dbraw/zinc/64/87/75/1051648775.db2.gz HIFPDMIXSARIEU-BBRMVZONSA-N 1 0 325.861 4.056 20 10 EICDRO CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1O ZINC000775509664 1051653160 /nfs/dbraw/zinc/65/31/60/1051653160.db2.gz OEOMWOAZSOTJRT-YJBOKZPZSA-N 1 0 333.859 4.253 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Br)ccc1O ZINC000775512961 1051660469 /nfs/dbraw/zinc/66/04/69/1051660469.db2.gz ULTQWPBXNVNZBU-WBMJQRKESA-N 1 0 349.272 4.222 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000775514515 1051669337 /nfs/dbraw/zinc/66/93/37/1051669337.db2.gz ZAAUVGRNRKWOPG-CYBMUJFWSA-N 1 0 347.768 4.045 20 10 EICDRO CC[C@@H](OCC[NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccccc1 ZINC001182734610 1051691802 /nfs/dbraw/zinc/69/18/02/1051691802.db2.gz XKBIWUFSGWPZDL-QGZVFWFLSA-N 1 0 349.858 4.312 20 10 EICDRO COc1cc(C)cc(C[N@@H+]2CCc3ccc(C(C)C)cc3C2)c1O ZINC001182780948 1051712259 /nfs/dbraw/zinc/71/22/59/1051712259.db2.gz GDQZIHRFDVVWLZ-UHFFFAOYSA-N 1 0 325.452 4.391 20 10 EICDRO Cc1cc(CN2CCC(C)([NH+]3CCC3)CC2)ccc1N1CCCCC1 ZINC001175669966 1051722026 /nfs/dbraw/zinc/72/20/26/1051722026.db2.gz WSGRDESUWIDEES-UHFFFAOYSA-N 1 0 341.543 4.046 20 10 EICDRO CCOc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001192412002 1051725216 /nfs/dbraw/zinc/72/52/16/1051725216.db2.gz FNQDXDRTGXRWGC-UHFFFAOYSA-N 1 0 330.859 4.061 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775528408 1051739162 /nfs/dbraw/zinc/73/91/62/1051739162.db2.gz YBLBSXPZGLXAHA-VOZBZGINSA-N 1 0 337.822 4.348 20 10 EICDRO CC[C@@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1O ZINC000775532114 1051746898 /nfs/dbraw/zinc/74/68/98/1051746898.db2.gz MGHGDYKPOXAIAC-HXUWFJFHSA-N 1 0 339.483 4.097 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2O ZINC000775568466 1051863424 /nfs/dbraw/zinc/86/34/24/1051863424.db2.gz LHWGEPIMVFJWDF-LRDDRELGSA-N 1 0 329.415 4.097 20 10 EICDRO Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000780708535 1051870045 /nfs/dbraw/zinc/87/00/45/1051870045.db2.gz GIACMSCAHNCQKO-FXAWDEMLSA-N 1 0 326.484 4.041 20 10 EICDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000774780955 1052095668 /nfs/dbraw/zinc/09/56/68/1052095668.db2.gz PUSNYHHUNQKWHB-LLVKDONJSA-N 1 0 333.815 4.108 20 10 EICDRO CN(C)c1ccc(CNCC2([NH+]3CCCCC3)CCCCC2)cc1F ZINC001177108986 1052232519 /nfs/dbraw/zinc/23/25/19/1052232519.db2.gz VHCVEZHLULJEDO-UHFFFAOYSA-N 1 0 347.522 4.170 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000185073673 1052394058 /nfs/dbraw/zinc/39/40/58/1052394058.db2.gz CGOBFYBUQCBQPF-MRXNPFEDSA-N 1 0 342.458 4.155 20 10 EICDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185228359 1052545046 /nfs/dbraw/zinc/54/50/46/1052545046.db2.gz WRWWXZZKSNTWNJ-HUUCEWRRSA-N 1 0 329.440 4.081 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(-n2cccn2)c1 ZINC000185617179 1052662471 /nfs/dbraw/zinc/66/24/71/1052662471.db2.gz MYYYZXWOKOPIMI-KBPBESRZSA-N 1 0 325.387 4.129 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccn1 ZINC000850343212 1053122649 /nfs/dbraw/zinc/12/26/49/1053122649.db2.gz QXJMBPGGAFYCCG-CYBMUJFWSA-N 1 0 337.389 4.060 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)cc1 ZINC000764577072 1053203264 /nfs/dbraw/zinc/20/32/64/1053203264.db2.gz ZRRUOQDOCDHJPL-YJBOKZPZSA-N 1 0 331.529 4.158 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2ccccc2[nH]1 ZINC000775621553 1053203974 /nfs/dbraw/zinc/20/39/74/1053203974.db2.gz LMOSFSKPTXRKSP-DLBZAZTESA-N 1 0 349.478 4.416 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(C(F)F)nc1 ZINC000850437647 1053208637 /nfs/dbraw/zinc/20/86/37/1053208637.db2.gz RALUUSDBTZPVSY-SNVBAGLBSA-N 1 0 329.441 4.309 20 10 EICDRO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000850515010 1053272694 /nfs/dbraw/zinc/27/26/94/1053272694.db2.gz TWIXQKISBKUXSP-MOPGFXCFSA-N 1 0 329.440 4.138 20 10 EICDRO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000850515016 1053274246 /nfs/dbraw/zinc/27/42/46/1053274246.db2.gz TWIXQKISBKUXSP-RTBURBONSA-N 1 0 329.440 4.138 20 10 EICDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000850526214 1053285583 /nfs/dbraw/zinc/28/55/83/1053285583.db2.gz UFSAXFSASRZVKI-IEBWSBKVSA-N 1 0 328.500 4.429 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000764750619 1053291732 /nfs/dbraw/zinc/29/17/32/1053291732.db2.gz VYHHPFGOYXLOOM-LIRRHRJNSA-N 1 0 332.875 4.180 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000850541302 1053304980 /nfs/dbraw/zinc/30/49/80/1053304980.db2.gz UZSBXWWLTJDJEQ-JLSDUUJJSA-N 1 0 347.890 4.231 20 10 EICDRO C[C@@H]([NH2+]CC1SCCS1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850560651 1053314635 /nfs/dbraw/zinc/31/46/35/1053314635.db2.gz GUPIHULSUNJAJY-CYBMUJFWSA-N 1 0 340.533 4.273 20 10 EICDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850558586 1053315337 /nfs/dbraw/zinc/31/53/37/1053315337.db2.gz UDNGEKFLZOCXKA-QLJPJBMISA-N 1 0 326.223 4.083 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1SCCS1 ZINC000850562063 1053316915 /nfs/dbraw/zinc/31/69/15/1053316915.db2.gz SQAQCLBTUUETFR-QGZVFWFLSA-N 1 0 345.533 4.462 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000850566982 1053319374 /nfs/dbraw/zinc/31/93/74/1053319374.db2.gz VQTQMRRIPZRUEY-OAQYLSRUSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC000850568363 1053321566 /nfs/dbraw/zinc/32/15/66/1053321566.db2.gz WFKZPUDBLRERAB-QGZVFWFLSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1 ZINC000850585234 1053335912 /nfs/dbraw/zinc/33/59/12/1053335912.db2.gz XQNDIKGNOQSJML-VFCRVFHLSA-N 1 0 325.452 4.044 20 10 EICDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000764881647 1053357034 /nfs/dbraw/zinc/35/70/34/1053357034.db2.gz WQFKQZILCWNEGD-OAHLLOKOSA-N 1 0 347.503 4.474 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C)cc1O ZINC000794799008 1053383834 /nfs/dbraw/zinc/38/38/34/1053383834.db2.gz ZYGDCHPBFFLFJK-IBGZPJMESA-N 1 0 339.483 4.327 20 10 EICDRO CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C)cc1O ZINC000794804363 1053395981 /nfs/dbraw/zinc/39/59/81/1053395981.db2.gz DPGUBPHEZNCEDF-QGZVFWFLSA-N 1 0 329.440 4.219 20 10 EICDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000764978235 1053396169 /nfs/dbraw/zinc/39/61/69/1053396169.db2.gz UJJDQHMDJYDUJH-KKSFZXQISA-N 1 0 339.435 4.170 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1O ZINC000794803703 1053397625 /nfs/dbraw/zinc/39/76/25/1053397625.db2.gz SAFKBADXSBPQBQ-DNVCBOLYSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1O ZINC000794812811 1053421586 /nfs/dbraw/zinc/42/15/86/1053421586.db2.gz ZFNVOVILNVYWME-WMZOPIPTSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1O ZINC000794812809 1053422342 /nfs/dbraw/zinc/42/23/42/1053422342.db2.gz ZFNVOVILNVYWME-FUHWJXTLSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1O ZINC000794812810 1053422405 /nfs/dbraw/zinc/42/24/05/1053422405.db2.gz ZFNVOVILNVYWME-SJLPKXTDSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794812419 1053428117 /nfs/dbraw/zinc/42/81/17/1053428117.db2.gz CNUZVZHSMLJPOJ-IEBWSBKVSA-N 1 0 333.859 4.302 20 10 EICDRO Cc1cc(Cl)cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000775661950 1053429407 /nfs/dbraw/zinc/42/94/07/1053429407.db2.gz SDWSATSJRICKHC-QGZVFWFLSA-N 1 0 335.831 4.128 20 10 EICDRO CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794817647 1053431413 /nfs/dbraw/zinc/43/14/13/1053431413.db2.gz UNVMKLBZSKFTIT-IRFCIJBXSA-N 1 0 343.442 4.047 20 10 EICDRO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000765082282 1053438473 /nfs/dbraw/zinc/43/84/73/1053438473.db2.gz SVDWEUIWIRDPRX-FQEVSTJZSA-N 1 0 342.483 4.156 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC001195787715 1053485410 /nfs/dbraw/zinc/48/54/10/1053485410.db2.gz CHVPDARHBQHUIW-FQEVSTJZSA-N 1 0 344.886 4.404 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357454 1053514696 /nfs/dbraw/zinc/51/46/96/1053514696.db2.gz AKCCFHCCHMOCCF-JKSUJKDBSA-N 1 0 334.891 4.184 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCCO2 ZINC000765478921 1053561790 /nfs/dbraw/zinc/56/17/90/1053561790.db2.gz GUFDJBXJYFQAHY-FQEVSTJZSA-N 1 0 336.479 4.381 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cc(F)c(F)c(F)c1 ZINC000765481809 1053567403 /nfs/dbraw/zinc/56/74/03/1053567403.db2.gz RDMKBIFFPGLTOD-GFCCVEGCSA-N 1 0 334.385 4.337 20 10 EICDRO c1ccc(CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccn2)cc1 ZINC000865664567 1053567736 /nfs/dbraw/zinc/56/77/36/1053567736.db2.gz KQJKZBLXWTXVND-QFIPXVFZSA-N 1 0 344.458 4.480 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3C)CCC2 ZINC000765482925 1053567682 /nfs/dbraw/zinc/56/76/82/1053567682.db2.gz WNOLNJCGTRLMEO-NRFANRHFSA-N 1 0 336.479 4.245 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000765483085 1053568896 /nfs/dbraw/zinc/56/88/96/1053568896.db2.gz XZGGLZKFQWBLLE-OAQYLSRUSA-N 1 0 337.511 4.376 20 10 EICDRO CCOCc1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)ccc1OC ZINC000865725655 1053579259 /nfs/dbraw/zinc/57/92/59/1053579259.db2.gz BECRVVUNQYJGDK-FQEVSTJZSA-N 1 0 347.499 4.061 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC000775688412 1053594756 /nfs/dbraw/zinc/59/47/56/1053594756.db2.gz QZTFTBZSXDOREH-GHTZIAJQSA-N 1 0 338.495 4.186 20 10 EICDRO COc1ccccc1C1([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902097 1053627473 /nfs/dbraw/zinc/62/74/73/1053627473.db2.gz LVWLHBMUAWQVIB-SWLSCSKDSA-N 1 0 327.399 4.367 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240306 1053655968 /nfs/dbraw/zinc/65/59/68/1053655968.db2.gz OSPZUWUCLMNJKX-QAPCUYQASA-N 1 0 336.907 4.208 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(N(C)C)cc1 ZINC000853240814 1053658160 /nfs/dbraw/zinc/65/81/60/1053658160.db2.gz ILHQNPKIPXUVPS-OXQOHEQNSA-N 1 0 346.478 4.276 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242820 1053659978 /nfs/dbraw/zinc/65/99/78/1053659978.db2.gz SSJMCUUCDWIUHC-QZTJIDSGSA-N 1 0 333.435 4.306 20 10 EICDRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236137 1053666111 /nfs/dbraw/zinc/66/61/11/1053666111.db2.gz JXTNOIRHUDAWFA-HOTGVXAUSA-N 1 0 340.467 4.365 20 10 EICDRO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236135 1053666948 /nfs/dbraw/zinc/66/69/48/1053666948.db2.gz JXTNOIRHUDAWFA-CVEARBPZSA-N 1 0 340.467 4.365 20 10 EICDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765549825 1053670397 /nfs/dbraw/zinc/67/03/97/1053670397.db2.gz YDGFZLVWAICYTL-MRXNPFEDSA-N 1 0 334.479 4.162 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Br)cc1 ZINC000083552239 1053684999 /nfs/dbraw/zinc/68/49/99/1053684999.db2.gz XXWKUVXKOUCQMG-UHFFFAOYSA-N 1 0 326.621 4.098 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1OC ZINC000853539099 1053685391 /nfs/dbraw/zinc/68/53/91/1053685391.db2.gz NDZDSUDZZAUYBI-IBGZPJMESA-N 1 0 343.423 4.120 20 10 EICDRO C[N@H+](CC1=CCSC1)Cc1cc2oc3ccccc3c2cc1O ZINC000853619295 1053691739 /nfs/dbraw/zinc/69/17/39/1053691739.db2.gz YYQRRDOZWSZPFI-UHFFFAOYSA-N 1 0 325.433 4.397 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000776688392 1053697007 /nfs/dbraw/zinc/69/70/07/1053697007.db2.gz CIYXENVCOYAEFE-UHFFFAOYSA-N 1 0 341.524 4.302 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c(O)c1C ZINC000866485771 1053749350 /nfs/dbraw/zinc/74/93/50/1053749350.db2.gz QYEBOLRHNOBWJT-OLZOCXBDSA-N 1 0 326.396 4.268 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866508990 1053758922 /nfs/dbraw/zinc/75/89/22/1053758922.db2.gz TXZWNOBIIBLWMD-SUMWQHHRSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1O ZINC000866540731 1053775362 /nfs/dbraw/zinc/77/53/62/1053775362.db2.gz BXRYHJNHRKZUDO-OAHLLOKOSA-N 1 0 325.330 4.374 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1O ZINC000866548907 1053781516 /nfs/dbraw/zinc/78/15/16/1053781516.db2.gz VRFDDIHESIZZTQ-HLLBOEOZSA-N 1 0 348.487 4.045 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000765723561 1053872555 /nfs/dbraw/zinc/87/25/55/1053872555.db2.gz AQAXWCQWGLFDGF-UHFFFAOYSA-N 1 0 346.421 4.391 20 10 EICDRO Cc1ccc(O)c(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC000113338918 1053923969 /nfs/dbraw/zinc/92/39/69/1053923969.db2.gz SPAVCKPZIJHUFY-UHFFFAOYSA-N 1 0 345.870 4.192 20 10 EICDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCC2 ZINC000122731390 1054028375 /nfs/dbraw/zinc/02/83/75/1054028375.db2.gz QEIBZFXJCOBNIP-INIZCTEOSA-N 1 0 329.513 4.247 20 10 EICDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000123516011 1054161553 /nfs/dbraw/zinc/16/15/53/1054161553.db2.gz MLDUMHAUMXFVMX-GOSISDBHSA-N 1 0 348.494 4.406 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1O ZINC000160962085 1054322780 /nfs/dbraw/zinc/32/27/80/1054322780.db2.gz VVSQRKRRCHLKEA-XHDPSFHLSA-N 1 0 326.278 4.474 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC001198990350 1054323499 /nfs/dbraw/zinc/32/34/99/1054323499.db2.gz HCLPWVGUJNHITD-ONEGZZNKSA-N 1 0 332.394 4.157 20 10 EICDRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000872028126 1054343214 /nfs/dbraw/zinc/34/32/14/1054343214.db2.gz PJPCQDZHGAQFDJ-GDBMZVCRSA-N 1 0 344.421 4.295 20 10 EICDRO CCC(CC)[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC001199144942 1054349763 /nfs/dbraw/zinc/34/97/63/1054349763.db2.gz ZQLSKGYJFKZGAC-MZMPXXGTSA-N 1 0 343.559 4.256 20 10 EICDRO C[C@@H]([NH2+]CCCSc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038220 1054352307 /nfs/dbraw/zinc/35/23/07/1054352307.db2.gz LQBKHDZDBYMKQM-SNVBAGLBSA-N 1 0 341.433 4.023 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000115629671 1054366934 /nfs/dbraw/zinc/36/69/34/1054366934.db2.gz DYZWEXPFYKSDTF-UHFFFAOYSA-N 1 0 340.439 4.400 20 10 EICDRO COc1cc(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001199286614 1054381178 /nfs/dbraw/zinc/38/11/78/1054381178.db2.gz RIZWULQHADFJFS-DNVCBOLYSA-N 1 0 349.515 4.383 20 10 EICDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1O ZINC000872115601 1054395815 /nfs/dbraw/zinc/39/58/15/1054395815.db2.gz DWMHOCDHRWZLCV-QMMMGPOBSA-N 1 0 348.727 4.449 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000872129771 1054403860 /nfs/dbraw/zinc/40/38/60/1054403860.db2.gz BVQWDUVERQLWPK-WDEREUQCSA-N 1 0 340.345 4.226 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858139798 1054423327 /nfs/dbraw/zinc/42/33/27/1054423327.db2.gz ZPWPLEYLQPNODH-UHFFFAOYSA-N 1 0 328.403 4.431 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000858207673 1054438808 /nfs/dbraw/zinc/43/88/08/1054438808.db2.gz SMRYSSSGTPHKGV-SFHVURJKSA-N 1 0 344.524 4.291 20 10 EICDRO CCOc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(Cl)c1OC ZINC000858237861 1054443694 /nfs/dbraw/zinc/44/36/94/1054443694.db2.gz RAFLYHVHPFUZCC-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858298614 1054457363 /nfs/dbraw/zinc/45/73/63/1054457363.db2.gz MSCYUKGUWJMBTE-YLJYHZDGSA-N 1 0 342.508 4.042 20 10 EICDRO Cc1cc(C)c(O)c(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000872719128 1054458756 /nfs/dbraw/zinc/45/87/56/1054458756.db2.gz YADUQMYFHVDWPB-UHFFFAOYSA-N 1 0 341.455 4.039 20 10 EICDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)n1 ZINC000872807304 1054465524 /nfs/dbraw/zinc/46/55/24/1054465524.db2.gz MRVALTDPZJYFGU-ZDUSSCGKSA-N 1 0 346.496 4.150 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)cc1C ZINC000873008185 1054476399 /nfs/dbraw/zinc/47/63/99/1054476399.db2.gz GUGBBGVSXHSJSU-UHFFFAOYSA-N 1 0 326.440 4.032 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)cc1F ZINC001199863723 1054480836 /nfs/dbraw/zinc/48/08/36/1054480836.db2.gz FIACNKYUWJHVTR-UHFFFAOYSA-N 1 0 340.364 4.286 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000873098385 1054486577 /nfs/dbraw/zinc/48/65/77/1054486577.db2.gz PIUKYNYFWJCDAL-VOIUYBSRSA-N 1 0 345.508 4.372 20 10 EICDRO CN(C)c1ccc(CNCc2c(F)ccc(F)c2Cl)cc1F ZINC001199865039 1054488065 /nfs/dbraw/zinc/48/80/65/1054488065.db2.gz LTNFCCDNECWYLS-UHFFFAOYSA-N 1 0 328.765 4.113 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc2ccccc2c1O ZINC000858453440 1054493394 /nfs/dbraw/zinc/49/33/94/1054493394.db2.gz LEOGWCFZLCRPPU-KXBFYZLASA-N 1 0 333.431 4.338 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000858509421 1054506121 /nfs/dbraw/zinc/50/61/21/1054506121.db2.gz WDJNZVDFTPHZQW-ULQDDVLXSA-N 1 0 335.488 4.425 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000873287914 1054522189 /nfs/dbraw/zinc/52/21/89/1054522189.db2.gz OGWYLTLJWOQHJX-OAHLLOKOSA-N 1 0 327.447 4.249 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccs1)c1cc(Br)ccc1O ZINC000020139198 1054599893 /nfs/dbraw/zinc/59/98/93/1054599893.db2.gz NOSGFJJTRZURIH-CYBMUJFWSA-N 1 0 326.259 4.457 20 10 EICDRO CC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000776158727 1054766402 /nfs/dbraw/zinc/76/64/02/1054766402.db2.gz VJJHJVPNDCQGPJ-HBMCJLEFSA-N 1 0 342.527 4.216 20 10 EICDRO Cc1csc([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000776163444 1054776331 /nfs/dbraw/zinc/77/63/31/1054776331.db2.gz RFXOXBYEXFGSLD-JTQLQIEISA-N 1 0 341.274 4.079 20 10 EICDRO Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1O ZINC000776174792 1054801968 /nfs/dbraw/zinc/80/19/68/1054801968.db2.gz GNMCUPLSFFYZSQ-UHFFFAOYSA-N 1 0 331.843 4.150 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000186199632 1054887649 /nfs/dbraw/zinc/88/76/49/1054887649.db2.gz SBOBUTLNRNSOON-YHJVDBJQSA-N 1 0 346.421 4.075 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000126115563 1054948142 /nfs/dbraw/zinc/94/81/42/1054948142.db2.gz HMKHDEMUYAEIOC-JKSUJKDBSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC001202084076 1055023828 /nfs/dbraw/zinc/02/38/28/1055023828.db2.gz RYIGITWRBLTBBC-VGOFRKELSA-N 1 0 335.495 4.268 20 10 EICDRO COc1cccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1O ZINC000013990093 1055031875 /nfs/dbraw/zinc/03/18/75/1055031875.db2.gz JBQPXVHJEVRGLD-UHFFFAOYSA-N 1 0 348.446 4.041 20 10 EICDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000777243113 1055042948 /nfs/dbraw/zinc/04/29/48/1055042948.db2.gz RJJYYEURWPKRJT-STQMWFEESA-N 1 0 344.833 4.015 20 10 EICDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202133951 1055046906 /nfs/dbraw/zinc/04/69/06/1055046906.db2.gz CAJSYKAOYRRUIS-WBVHZDCISA-N 1 0 331.460 4.111 20 10 EICDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001202111143 1055054125 /nfs/dbraw/zinc/05/41/25/1055054125.db2.gz NVVVVOWZMUSBIS-OAHLLOKOSA-N 1 0 331.460 4.253 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC(F)(F)C2)c1O ZINC000776248556 1055070402 /nfs/dbraw/zinc/07/04/02/1055070402.db2.gz LHAPVUGLHQJZIF-LBPRGKRZSA-N 1 0 334.204 4.131 20 10 EICDRO COc1cccc(C[NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)c1O ZINC000877668452 1055104658 /nfs/dbraw/zinc/10/46/58/1055104658.db2.gz IYXJBJMFOLFGPI-UHFFFAOYSA-N 1 0 346.814 4.220 20 10 EICDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756289 1055113951 /nfs/dbraw/zinc/11/39/51/1055113951.db2.gz FKLMHGCDHVXTQY-LSDHHAIUSA-N 1 0 326.440 4.023 20 10 EICDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757352 1055113974 /nfs/dbraw/zinc/11/39/74/1055113974.db2.gz SJOWMKUSPTZAQM-ZDUSSCGKSA-N 1 0 339.414 4.185 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1O ZINC000877783733 1055122235 /nfs/dbraw/zinc/12/22/35/1055122235.db2.gz DZXSUSLJIANKIM-OAHLLOKOSA-N 1 0 343.471 4.017 20 10 EICDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360558 1055178688 /nfs/dbraw/zinc/17/86/88/1055178688.db2.gz ZSXFNIKVSWUMKY-HZPDHXFCSA-N 1 0 328.456 4.145 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)oc3C)CC2)cc1 ZINC000119395233 1055182662 /nfs/dbraw/zinc/18/26/62/1055182662.db2.gz QYYWQMUIKPJTJF-HNNXBMFYSA-N 1 0 328.456 4.225 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000107322168 1055223186 /nfs/dbraw/zinc/22/31/86/1055223186.db2.gz WXSANSRMCKBGQP-ZDUSSCGKSA-N 1 0 340.448 4.375 20 10 EICDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542810 1055228004 /nfs/dbraw/zinc/22/80/04/1055228004.db2.gz ZXGQMWYUKDHWGX-YLJYHZDGSA-N 1 0 327.516 4.002 20 10 EICDRO CC[C@](C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000107717845 1055264567 /nfs/dbraw/zinc/26/45/67/1055264567.db2.gz FNFCSMWKGNUQJD-NRFANRHFSA-N 1 0 342.458 4.077 20 10 EICDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(N2CCCCCC2)cc1 ZINC000127098655 1055301106 /nfs/dbraw/zinc/30/11/06/1055301106.db2.gz RXTOPBUZABDSOW-SFHVURJKSA-N 1 0 326.488 4.004 20 10 EICDRO C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1O ZINC000186342928 1055369909 /nfs/dbraw/zinc/36/99/09/1055369909.db2.gz UKZFBDBYEPQBKO-AWEZNQCLSA-N 1 0 346.471 4.253 20 10 EICDRO C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1O ZINC000186342944 1055370810 /nfs/dbraw/zinc/37/08/10/1055370810.db2.gz UKZFBDBYEPQBKO-CQSZACIVSA-N 1 0 346.471 4.253 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000127307629 1055382706 /nfs/dbraw/zinc/38/27/06/1055382706.db2.gz DGRMCPFGWYUIDX-KBXCAEBGSA-N 1 0 326.440 4.283 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1C ZINC000765810779 1055461104 /nfs/dbraw/zinc/46/11/04/1055461104.db2.gz SLAFZQSNDHPGAF-KUHUBIRLSA-N 1 0 333.859 4.221 20 10 EICDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822358 1055745661 /nfs/dbraw/zinc/74/56/61/1055745661.db2.gz ZXMKIUFWMCVJRP-KXBFYZLASA-N 1 0 326.488 4.258 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2ccnc2)c1 ZINC000921800337 1056585144 /nfs/dbraw/zinc/58/51/44/1056585144.db2.gz WRYHFCRXTIZKBO-INIZCTEOSA-N 1 0 333.435 4.048 20 10 EICDRO COc1cc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)ccc1C ZINC000741255451 1058183353 /nfs/dbraw/zinc/18/33/53/1058183353.db2.gz WWPOTHZBEQUVRP-UHFFFAOYSA-N 1 0 338.495 4.326 20 10 EICDRO CCC(CC)(C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)SC ZINC000766277603 1058390229 /nfs/dbraw/zinc/39/02/29/1058390229.db2.gz OOKATPIJUXNJJZ-UHFFFAOYSA-N 1 0 336.545 4.175 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165268 1058524233 /nfs/dbraw/zinc/52/42/33/1058524233.db2.gz JEJQHBXMIRSBRP-UWJYYQICSA-N 1 0 325.452 4.279 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C ZINC000742162879 1058541669 /nfs/dbraw/zinc/54/16/69/1058541669.db2.gz ODKZCDPDQCJIDQ-YWZLYKJASA-N 1 0 329.415 4.110 20 10 EICDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000742387064 1058586830 /nfs/dbraw/zinc/58/68/30/1058586830.db2.gz DBRRHCSMSUCTKU-INIZCTEOSA-N 1 0 326.223 4.176 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000742377092 1058602187 /nfs/dbraw/zinc/60/21/87/1058602187.db2.gz MIZHHYTUHYGFTH-NQIIRXRSSA-N 1 0 338.495 4.228 20 10 EICDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCCO[C@H]21 ZINC000742376786 1058603007 /nfs/dbraw/zinc/60/30/07/1058603007.db2.gz HGZULDOFIGCISK-CEWLAPEOSA-N 1 0 337.463 4.352 20 10 EICDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000742377461 1058603198 /nfs/dbraw/zinc/60/31/98/1058603198.db2.gz MFJXZEATQGIOKU-MRXNPFEDSA-N 1 0 326.223 4.176 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C)[C@@H]1CCOC1 ZINC000742379925 1058604699 /nfs/dbraw/zinc/60/46/99/1058604699.db2.gz GEZKXSCLDGNFFQ-WIYYLYMNSA-N 1 0 326.484 4.307 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870093 1059187497 /nfs/dbraw/zinc/18/74/97/1059187497.db2.gz HDVBKHRZICMTFF-KRWDZBQOSA-N 1 0 340.467 4.248 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870178 1059193254 /nfs/dbraw/zinc/19/32/54/1059193254.db2.gz KJJBMVCBOONZAG-CQSZACIVSA-N 1 0 346.858 4.285 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000744437562 1059500769 /nfs/dbraw/zinc/50/07/69/1059500769.db2.gz VLTNOJJGSYZVBF-UHFFFAOYSA-N 1 0 337.463 4.269 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C)c(F)c1 ZINC001168792581 1060352602 /nfs/dbraw/zinc/35/26/02/1060352602.db2.gz DIFLWGMQPUQXMR-NRFANRHFSA-N 1 0 342.458 4.212 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(N2CCCCC2)c(F)c1 ZINC000766601163 1060651438 /nfs/dbraw/zinc/65/14/38/1060651438.db2.gz PKRKWKUSUGBXEX-OQKHSGFDSA-N 1 0 346.490 4.424 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(-c2cccnc2)nc(C)n1 ZINC001169684720 1060898157 /nfs/dbraw/zinc/89/81/57/1060898157.db2.gz KWBDPTJQZVLYTK-GOSISDBHSA-N 1 0 345.450 4.087 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(-c2cncn2C)c1 ZINC001169693718 1060903305 /nfs/dbraw/zinc/90/33/05/1060903305.db2.gz YXGUEHLGWBEDDE-LJQANCHMSA-N 1 0 332.451 4.327 20 10 EICDRO Cc1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)ccc1N(C)C ZINC001169743214 1060922166 /nfs/dbraw/zinc/92/21/66/1060922166.db2.gz DASQVBOGCUUUBC-UHFFFAOYSA-N 1 0 349.522 4.088 20 10 EICDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1N(C)C ZINC001169872572 1061016095 /nfs/dbraw/zinc/01/60/95/1061016095.db2.gz MBIMTQDSAJLLFA-VHHKXPHXSA-N 1 0 344.543 4.213 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000691441929 1061205998 /nfs/dbraw/zinc/20/59/98/1061205998.db2.gz YVIDHLZJIPPSPO-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582521 1032563730 /nfs/dbraw/zinc/56/37/30/1032563730.db2.gz NAPYVZXWIWCHFW-LBPRGKRZSA-N 1 0 342.386 4.247 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000274725271 1019059939 /nfs/dbraw/zinc/05/99/39/1019059939.db2.gz ANKXWTFMMXSHPU-XKGZKEIXSA-N 1 0 329.415 4.492 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)cc1 ZINC000246868412 1019093184 /nfs/dbraw/zinc/09/31/84/1019093184.db2.gz CUVAUBMCJKKZEJ-WFXMLNOXSA-N 1 0 340.511 4.348 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)c(O)c1 ZINC000236951201 1032840156 /nfs/dbraw/zinc/84/01/56/1032840156.db2.gz GRFIWDXVEVSUAG-UHFFFAOYSA-N 1 0 338.407 4.126 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000274812010 1019743166 /nfs/dbraw/zinc/74/31/66/1019743166.db2.gz YABCUBOGCWIOAR-LBPRGKRZSA-N 1 0 329.831 4.092 20 10 EICDRO C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C[C@H](C)O ZINC000275066238 1020073088 /nfs/dbraw/zinc/07/30/88/1020073088.db2.gz XVZUUAVCASLNCC-UWVAXJGDSA-N 1 0 327.468 4.063 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccccc1O ZINC000154977988 1020163395 /nfs/dbraw/zinc/16/33/95/1020163395.db2.gz SKJJXMNKAKQKMS-SFHVURJKSA-N 1 0 326.440 4.228 20 10 EICDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](CC)c2ccccc2O)cc1 ZINC000155179678 1020322308 /nfs/dbraw/zinc/32/23/08/1020322308.db2.gz LNZCCUXMKOOEFN-GOSISDBHSA-N 1 0 326.440 4.372 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000155334733 1020499959 /nfs/dbraw/zinc/49/99/59/1020499959.db2.gz CJUBYAATFYJYQA-DNVCBOLYSA-N 1 0 338.451 4.321 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000725848436 1021542235 /nfs/dbraw/zinc/54/22/35/1021542235.db2.gz SJXBLUCSULOTKO-OAQYLSRUSA-N 1 0 337.394 4.022 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c(O)c1OC ZINC000892588844 1022350677 /nfs/dbraw/zinc/35/06/77/1022350677.db2.gz KTWBTIJESURQTH-AWEZNQCLSA-N 1 0 345.439 4.047 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000310865914 1022528654 /nfs/dbraw/zinc/52/86/54/1022528654.db2.gz XOXZPQWUPGDGHT-HRCADAONSA-N 1 0 348.487 4.139 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccco2)Cc2cccs2)c1O ZINC000160659967 1022598257 /nfs/dbraw/zinc/59/82/57/1022598257.db2.gz QPPQVHPYRKNURN-UHFFFAOYSA-N 1 0 329.421 4.258 20 10 EICDRO COc1c(F)cccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143533072 1033070948 /nfs/dbraw/zinc/07/09/48/1033070948.db2.gz NFOSPSBJOXLMTF-UHFFFAOYSA-N 1 0 328.431 4.067 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1ccccc1O ZINC000183475134 1022866352 /nfs/dbraw/zinc/86/63/52/1022866352.db2.gz ZGRTWBQUKJNDFI-OAHLLOKOSA-N 1 0 326.440 4.350 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1C ZINC000363870341 1022874529 /nfs/dbraw/zinc/87/45/29/1022874529.db2.gz WPUFOTUMMRHWQN-MRXNPFEDSA-N 1 0 335.451 4.260 20 10 EICDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185228311 1023023295 /nfs/dbraw/zinc/02/32/95/1023023295.db2.gz WRWWXZZKSNTWNJ-GJZGRUSLSA-N 1 0 329.440 4.081 20 10 EICDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000069879648 1023127169 /nfs/dbraw/zinc/12/71/69/1023127169.db2.gz IBSZGDRLNWJRFT-JOCHJYFZSA-N 1 0 338.495 4.319 20 10 EICDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000364058542 1023215947 /nfs/dbraw/zinc/21/59/47/1023215947.db2.gz WGJFYCAZBOFRSY-UHFFFAOYSA-N 1 0 338.423 4.108 20 10 EICDRO CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000756533424 1023382877 /nfs/dbraw/zinc/38/28/77/1023382877.db2.gz HJNMXEAJGHVJOV-LLVKDONJSA-N 1 0 331.287 4.082 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(Br)ccc1O ZINC000756534682 1023403468 /nfs/dbraw/zinc/40/34/68/1023403468.db2.gz MPQYXOVJAFDKBP-AAEUAGOBSA-N 1 0 332.241 4.145 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)CSC(C)(C)C)CC2)cc1 ZINC000157407639 1023605390 /nfs/dbraw/zinc/60/53/90/1023605390.db2.gz OGTGVVGIYZPQSX-HNNXBMFYSA-N 1 0 336.545 4.174 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(-c3ccco3)s2)cc1 ZINC000194292897 1023758986 /nfs/dbraw/zinc/75/89/86/1023758986.db2.gz OTPRSHMGHZTYJC-UHFFFAOYSA-N 1 0 327.453 4.101 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1cc(Br)ccc1O ZINC000313814624 1024330782 /nfs/dbraw/zinc/33/07/82/1024330782.db2.gz BSBJXHMTERYBLQ-INIZCTEOSA-N 1 0 349.272 4.407 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108600 1024350262 /nfs/dbraw/zinc/35/02/62/1024350262.db2.gz DQWQGWCIMOVFTQ-YJBOKZPZSA-N 1 0 344.886 4.046 20 10 EICDRO Oc1cccc2c(N3CC=C(c4c[nH]c5ncccc45)CC3)cc[nH+]c12 ZINC000684567101 1024802433 /nfs/dbraw/zinc/80/24/33/1024802433.db2.gz BGGZNZXZHSLPKB-UHFFFAOYSA-N 1 0 342.402 4.110 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccc(F)cc1[O-] ZINC000796703705 1025018254 /nfs/dbraw/zinc/01/82/54/1025018254.db2.gz UJDBDSJRZPKIQN-DLBZAZTESA-N 1 0 345.414 4.495 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000165197830 1025045038 /nfs/dbraw/zinc/04/50/38/1025045038.db2.gz XVXBMLUVRRXWOU-AWEZNQCLSA-N 1 0 348.487 4.137 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(C)cc1O ZINC000375648319 1025232532 /nfs/dbraw/zinc/23/25/32/1025232532.db2.gz JQCCYMCLKYNPIX-FQEVSTJZSA-N 1 0 335.451 4.342 20 10 EICDRO COc1ccccc1[C@H](NCc1ccc2c(c1)CCO2)c1ccco1 ZINC000151116049 1025264356 /nfs/dbraw/zinc/26/43/56/1025264356.db2.gz HLYOFHYKCSIAFM-NRFANRHFSA-N 1 0 335.403 4.102 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000105482340 1025383749 /nfs/dbraw/zinc/38/37/49/1025383749.db2.gz HIWQVRIUDCHPCS-UHFFFAOYSA-N 1 0 346.789 4.172 20 10 EICDRO COc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000892119488 1025837335 /nfs/dbraw/zinc/83/73/35/1025837335.db2.gz DGDWXAZDTFDULL-OAHLLOKOSA-N 1 0 333.815 4.010 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cncc(F)c1 ZINC000157515370 1025874402 /nfs/dbraw/zinc/87/44/02/1025874402.db2.gz IQHIVYVCWHVJPJ-INIZCTEOSA-N 1 0 327.447 4.308 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001167521432 1025908678 /nfs/dbraw/zinc/90/86/78/1025908678.db2.gz BXKJOBHMIYJXIZ-UHFFFAOYSA-N 1 0 347.842 4.366 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1O ZINC000375663285 1025979689 /nfs/dbraw/zinc/97/96/89/1025979689.db2.gz JKDPKUKXLDFVSS-CEXWTWQISA-N 1 0 339.435 4.143 20 10 EICDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894514737 1026109139 /nfs/dbraw/zinc/10/91/39/1026109139.db2.gz BRVRYHIZLMXXQO-MRXNPFEDSA-N 1 0 345.439 4.001 20 10 EICDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000894649777 1026288261 /nfs/dbraw/zinc/28/82/61/1026288261.db2.gz RIKKVAITDCICPN-HDJSIYSDSA-N 1 0 347.842 4.099 20 10 EICDRO Cc1cc(O)c(CN2CCO[C@H](c3ccccc3Cl)C2)cc1C ZINC000728905057 1026412448 /nfs/dbraw/zinc/41/24/48/1026412448.db2.gz WSNKFUMGPDYMDW-IBGZPJMESA-N 1 0 331.843 4.236 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000279450533 1026435741 /nfs/dbraw/zinc/43/57/41/1026435741.db2.gz IGKGIPYWMPKYGB-IUCAKERBSA-N 1 0 346.374 4.288 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000159247090 1026793988 /nfs/dbraw/zinc/79/39/88/1026793988.db2.gz GIYSIMDOCZAANC-LSDHHAIUSA-N 1 0 347.409 4.003 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1SC ZINC000160552218 1027270964 /nfs/dbraw/zinc/27/09/64/1027270964.db2.gz VEFMIIRJQOSQKX-AWEZNQCLSA-N 1 0 330.497 4.334 20 10 EICDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226179 1027347763 /nfs/dbraw/zinc/34/77/63/1027347763.db2.gz CWBKXRSEJIOKBI-GFCCVEGCSA-N 1 0 341.707 4.051 20 10 EICDRO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000163188927 1027357927 /nfs/dbraw/zinc/35/79/27/1027357927.db2.gz WZQMOBOPAKSZFM-NRFANRHFSA-N 1 0 334.467 4.179 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OCC(F)F)c2)c(Cl)c1 ZINC000840891023 1027570528 /nfs/dbraw/zinc/57/05/28/1027570528.db2.gz UFGXWYNQNNKFRH-UHFFFAOYSA-N 1 0 341.785 4.288 20 10 EICDRO C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000841030155 1029106737 /nfs/dbraw/zinc/10/67/37/1029106737.db2.gz TYQNUFMLFJIQSZ-SNVBAGLBSA-N 1 0 325.239 4.009 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000161890249 1029209200 /nfs/dbraw/zinc/20/92/00/1029209200.db2.gz AATOXYPFAXKBCC-LJQANCHMSA-N 1 0 340.467 4.155 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c1 ZINC000186105138 1030249331 /nfs/dbraw/zinc/24/93/31/1030249331.db2.gz JOWUBWKLBOCXQZ-ZDUSSCGKSA-N 1 0 325.437 4.070 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c(O)c1 ZINC000186192611 1030254657 /nfs/dbraw/zinc/25/46/57/1030254657.db2.gz ISWRJLVSKYSLEO-LSDHHAIUSA-N 1 0 337.423 4.205 20 10 EICDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1nc(-c2ccccc2)no1 ZINC000186192791 1030255104 /nfs/dbraw/zinc/25/51/04/1030255104.db2.gz LMZHNKUPTMKSHJ-CHWSQXEVSA-N 1 0 341.386 4.036 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1O ZINC000192709395 1030714422 /nfs/dbraw/zinc/71/44/22/1030714422.db2.gz OFZBVWYCSJSGFR-MRXNPFEDSA-N 1 0 347.462 4.260 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000102432843 1030805158 /nfs/dbraw/zinc/80/51/58/1030805158.db2.gz PWBZQRKQAAFZBU-UHFFFAOYSA-N 1 0 330.859 4.107 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cc(Cl)ccc1O ZINC000527961960 1031002778 /nfs/dbraw/zinc/00/27/78/1031002778.db2.gz KBTPZYYQASZDPH-MRXNPFEDSA-N 1 0 329.831 4.173 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1O ZINC000528042779 1031056112 /nfs/dbraw/zinc/05/61/12/1031056112.db2.gz ISGQOMOWAKRSIO-PXNSSMCTSA-N 1 0 326.440 4.296 20 10 EICDRO COc1ccc(N2CCC([NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000102432716 1031256597 /nfs/dbraw/zinc/25/65/97/1031256597.db2.gz INIWLBGOKLYZOW-UHFFFAOYSA-N 1 0 347.462 4.002 20 10 EICDRO CCOCc1cc(C[NH2+]CCc2cc(C)cc(C)c2)ccc1OC ZINC000740900426 1031467570 /nfs/dbraw/zinc/46/75/70/1031467570.db2.gz PEIMLVNEXYHGBK-UHFFFAOYSA-N 1 0 327.468 4.181 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1O ZINC000528656613 1031721976 /nfs/dbraw/zinc/72/19/76/1031721976.db2.gz IBIWPKSGIDHENY-SFHVURJKSA-N 1 0 344.842 4.274 20 10 EICDRO CN(C)c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1F ZINC000237087160 1034777896 /nfs/dbraw/zinc/77/78/96/1034777896.db2.gz OESMCWMRUJGBKP-UHFFFAOYSA-N 1 0 332.385 4.350 20 10 EICDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000894213119 1034818393 /nfs/dbraw/zinc/81/83/93/1034818393.db2.gz GWHYACXNZMMOGY-KOMQPUFPSA-N 1 0 347.842 4.099 20 10 EICDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C)cc1O ZINC000280036839 1035134989 /nfs/dbraw/zinc/13/49/89/1035134989.db2.gz IOKQKAQPEQFWTP-MRXNPFEDSA-N 1 0 339.464 4.460 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1O ZINC000280045990 1035144707 /nfs/dbraw/zinc/14/47/07/1035144707.db2.gz JFPWVITWVGGWHN-IBGZPJMESA-N 1 0 338.451 4.068 20 10 EICDRO CC[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(C)cc1O ZINC000280044437 1035144747 /nfs/dbraw/zinc/14/47/47/1035144747.db2.gz JFBJDNWGVNAATQ-FQEVSTJZSA-N 1 0 335.451 4.186 20 10 EICDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000698162957 1035897267 /nfs/dbraw/zinc/89/72/67/1035897267.db2.gz LHXYXFQYUICFMT-INIZCTEOSA-N 1 0 348.487 4.054 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1O ZINC000761198177 1036014026 /nfs/dbraw/zinc/01/40/26/1036014026.db2.gz ONVGAPAJILDDOO-UHFFFAOYSA-N 1 0 335.806 4.362 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1O ZINC000761203384 1036039152 /nfs/dbraw/zinc/03/91/52/1036039152.db2.gz QWGBWIOAEHMYHZ-QGZVFWFLSA-N 1 0 349.883 4.344 20 10 EICDRO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1O ZINC000761203391 1036040578 /nfs/dbraw/zinc/04/05/78/1036040578.db2.gz RCVUPGNHSZSREB-ZDUSSCGKSA-N 1 0 347.842 4.052 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N2CCCCC2)cc1 ZINC000165702453 1036905555 /nfs/dbraw/zinc/90/55/55/1036905555.db2.gz WBXGUORNEBBXIY-MAUKXSAKSA-N 1 0 336.570 4.176 20 10 EICDRO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(Br)ccc1O ZINC000229563576 1037261614 /nfs/dbraw/zinc/26/16/14/1037261614.db2.gz YCJWBMYSGNNORC-CQSZACIVSA-N 1 0 342.277 4.012 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ccccc1O ZINC000272810440 1037303348 /nfs/dbraw/zinc/30/33/48/1037303348.db2.gz CZPNEYZOZONNKL-IAQYHMDHSA-N 1 0 348.240 4.329 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCOCCc2ccccc2)c1 ZINC000273413916 1037457458 /nfs/dbraw/zinc/45/74/58/1037457458.db2.gz QIUZVOOQYLUODG-QGZVFWFLSA-N 1 0 343.467 4.091 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000273444682 1037467856 /nfs/dbraw/zinc/46/78/56/1037467856.db2.gz ZMMSAFPIJVSFJO-INIZCTEOSA-N 1 0 347.462 4.226 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000273457972 1037470536 /nfs/dbraw/zinc/47/05/36/1037470536.db2.gz HLBVGAUPSPJZRK-LLVKDONJSA-N 1 0 325.330 4.292 20 10 EICDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508965 1037490359 /nfs/dbraw/zinc/49/03/59/1037490359.db2.gz QLLPUEWSQUHFFS-MJGOQNOKSA-N 1 0 333.378 4.023 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000273534634 1037497200 /nfs/dbraw/zinc/49/72/00/1037497200.db2.gz VZMWGFIZUUUUCW-AZUAARDMSA-N 1 0 329.415 4.158 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)c(O)c1C ZINC000273551158 1037502710 /nfs/dbraw/zinc/50/27/10/1037502710.db2.gz FZDDSUZGWVAIER-LLVKDONJSA-N 1 0 344.402 4.378 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c(O)c1C ZINC000273594200 1037516995 /nfs/dbraw/zinc/51/69/95/1037516995.db2.gz QCGKQKNWRGHCJN-IEZWGBDMSA-N 1 0 327.468 4.214 20 10 EICDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760905104 1037654438 /nfs/dbraw/zinc/65/44/38/1037654438.db2.gz IGIOYBMCATXFPJ-OCCSQVGLSA-N 1 0 348.384 4.044 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000423086090 1037943685 /nfs/dbraw/zinc/94/36/85/1037943685.db2.gz MJLXSNVIAQPNSA-QUCCMNQESA-N 1 0 333.479 4.070 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000423086089 1037944218 /nfs/dbraw/zinc/94/42/18/1037944218.db2.gz MJLXSNVIAQPNSA-ICSRJNTNSA-N 1 0 333.479 4.070 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000163626567 1038398584 /nfs/dbraw/zinc/39/85/84/1038398584.db2.gz XHCZJXLYOUPQMF-MRXNPFEDSA-N 1 0 342.508 4.099 20 10 EICDRO Cc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2C)cc1C ZINC000783995288 1040747011 /nfs/dbraw/zinc/74/70/11/1040747011.db2.gz WXRPKIWQBWPEPP-UHFFFAOYSA-N 1 0 334.257 4.370 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c(C)c1OC ZINC000927124188 1040757869 /nfs/dbraw/zinc/75/78/69/1040757869.db2.gz HZUOAZGRCXBXKO-HNNXBMFYSA-N 1 0 329.440 4.185 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](C)c2csc3ccccc32)cc1OC ZINC000898575671 1041044918 /nfs/dbraw/zinc/04/49/18/1041044918.db2.gz CDACSCXRLVGNJB-GFCCVEGCSA-N 1 0 343.448 4.475 20 10 EICDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925006953 1041157105 /nfs/dbraw/zinc/15/71/05/1041157105.db2.gz GIUYAEZHTNJUPW-OAHLLOKOSA-N 1 0 327.472 4.379 20 10 EICDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904274522 1041413840 /nfs/dbraw/zinc/41/38/40/1041413840.db2.gz OYBSAOMJLJJOEU-FQEVSTJZSA-N 1 0 349.438 4.462 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1O ZINC000894351213 1042104346 /nfs/dbraw/zinc/10/43/46/1042104346.db2.gz AQMHHYOHKGWTMA-MRXNPFEDSA-N 1 0 340.467 4.160 20 10 EICDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C(F)(F)F)c(C(F)(F)F)c1 ZINC000800889515 1042838595 /nfs/dbraw/zinc/83/85/95/1042838595.db2.gz YCHOXYCCZAXVNY-UHFFFAOYSA-N 1 0 342.327 4.450 20 10 EICDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000761582145 1042886149 /nfs/dbraw/zinc/88/61/49/1042886149.db2.gz MURFUFPCWQPVBS-UHFFFAOYSA-N 1 0 346.496 4.006 20 10 EICDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765954880 1043091634 /nfs/dbraw/zinc/09/16/34/1043091634.db2.gz QZXOSOLIRZCSBK-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000727645223 1043255074 /nfs/dbraw/zinc/25/50/74/1043255074.db2.gz UPYNDRJMFQRGFX-UHFFFAOYSA-N 1 0 338.495 4.394 20 10 EICDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000727839077 1043315242 /nfs/dbraw/zinc/31/52/42/1043315242.db2.gz WMUJZKWHBSIABG-FPOVZHCZSA-N 1 0 330.516 4.218 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)CC1 ZINC000731041473 1043681454 /nfs/dbraw/zinc/68/14/54/1043681454.db2.gz ASSVETSXPMHQFP-UHFFFAOYSA-N 1 0 334.467 4.089 20 10 EICDRO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204759 1043887381 /nfs/dbraw/zinc/88/73/81/1043887381.db2.gz CLWNUWJXYCPQQD-HXUWFJFHSA-N 1 0 347.405 4.149 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1noc2c1CCCC2)C1CCCC1 ZINC000732204337 1043887636 /nfs/dbraw/zinc/88/76/36/1043887636.db2.gz JBLVXFIYMAEXEA-UHFFFAOYSA-N 1 0 326.440 4.204 20 10 EICDRO CC[C@H]([NH2+]CCC1(F)CCC1)c1cc(Br)ccc1O ZINC000702486062 1043958847 /nfs/dbraw/zinc/95/88/47/1043958847.db2.gz BLHXTUOZGSMLNK-ZDUSSCGKSA-N 1 0 330.241 4.478 20 10 EICDRO CC[C@@H]([NH2+]C[C@@](C)(COCc1ccccc1)OC)c1ccccc1O ZINC000702796015 1044005148 /nfs/dbraw/zinc/00/51/48/1044005148.db2.gz MBQWKQIDGAWTKV-CTNGQTDRSA-N 1 0 343.467 4.055 20 10 EICDRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000766095124 1044065237 /nfs/dbraw/zinc/06/52/37/1044065237.db2.gz PVUAERXNOOGVFU-RBUKOAKNSA-N 1 0 338.495 4.286 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCSc2ccc(F)cc2F)c1 ZINC001168712401 1044189003 /nfs/dbraw/zinc/18/90/03/1044189003.db2.gz JXUXTACRBIIXIA-NSHDSACASA-N 1 0 339.407 4.122 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1F ZINC000733328082 1044195363 /nfs/dbraw/zinc/19/53/63/1044195363.db2.gz MOCVWOPOLNWLPL-UHFFFAOYSA-N 1 0 325.431 4.095 20 10 EICDRO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140399 1044335332 /nfs/dbraw/zinc/33/53/32/1044335332.db2.gz WIBKTBBZBFWMPW-DYESRHJHSA-N 1 0 334.467 4.041 20 10 EICDRO C[C@@](CO)([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000734844506 1044697927 /nfs/dbraw/zinc/69/79/27/1044697927.db2.gz ZWMQMKPWICKMTJ-QFIPXVFZSA-N 1 0 333.431 4.057 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCc3ccc(C)o3)CC2)cc1 ZINC000766212645 1044737994 /nfs/dbraw/zinc/73/79/94/1044737994.db2.gz TXMUSEZRMUHLSQ-INIZCTEOSA-N 1 0 342.483 4.176 20 10 EICDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000765991683 1044775281 /nfs/dbraw/zinc/77/52/81/1044775281.db2.gz FTTRBLNVXHJQHO-INIZCTEOSA-N 1 0 326.488 4.203 20 10 EICDRO COc1ccccc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706829868 1044782114 /nfs/dbraw/zinc/78/21/14/1044782114.db2.gz CPFLXKHPDPVZDZ-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735324280 1044796034 /nfs/dbraw/zinc/79/60/34/1044796034.db2.gz LUBJQQFZXZEMBV-ZDUSSCGKSA-N 1 0 346.268 4.049 20 10 EICDRO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000765998159 1044918345 /nfs/dbraw/zinc/91/83/45/1044918345.db2.gz QSGSMJAOBNYIOT-SFHVURJKSA-N 1 0 339.483 4.192 20 10 EICDRO CCN(Cc1nccn1Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000736945283 1044989967 /nfs/dbraw/zinc/98/99/67/1044989967.db2.gz OSVLUWRHVRGOKA-UHFFFAOYSA-N 1 0 348.494 4.020 20 10 EICDRO COc1cc(O)c(C[N@H+](C)Cc2ccc3ccccc3c2)cc1OC ZINC000762174247 1045004347 /nfs/dbraw/zinc/00/43/47/1045004347.db2.gz YILQKKWXGXZTPC-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1cccs1 ZINC000740016303 1045180328 /nfs/dbraw/zinc/18/03/28/1045180328.db2.gz MXUTZLHDWLQDAG-FQEVSTJZSA-N 1 0 339.460 4.118 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]CCc2nc(C)cs2)cc1 ZINC000915228727 1045198839 /nfs/dbraw/zinc/19/88/39/1045198839.db2.gz XDXHKKFXWZSKCO-UHFFFAOYSA-N 1 0 331.529 4.410 20 10 EICDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCO2 ZINC000766028789 1045256051 /nfs/dbraw/zinc/25/60/51/1045256051.db2.gz GBNKOZYTUIHWEZ-FQEVSTJZSA-N 1 0 340.467 4.073 20 10 EICDRO Cn1nccc1CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000762556662 1045292533 /nfs/dbraw/zinc/29/25/33/1045292533.db2.gz MOAPKUPRYSFUOK-UHFFFAOYSA-N 1 0 343.515 4.053 20 10 EICDRO Oc1ccc2ccccc2c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000238152615 1045402886 /nfs/dbraw/zinc/40/28/86/1045402886.db2.gz HLADSBGEHKGRGM-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(N(C)C)cc1 ZINC000790696614 1045560939 /nfs/dbraw/zinc/56/09/39/1045560939.db2.gz UTBMUXBQEZTAFX-GOSISDBHSA-N 1 0 327.428 4.210 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c(O)c1C ZINC000790725507 1045570623 /nfs/dbraw/zinc/57/06/23/1045570623.db2.gz AVASLWTYRPOVAS-NPPFBWRTSA-N 1 0 341.495 4.289 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1F ZINC000767729327 1045621281 /nfs/dbraw/zinc/62/12/81/1045621281.db2.gz UBIMGPRVXIIHJF-UHFFFAOYSA-N 1 0 341.474 4.236 20 10 EICDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000790935475 1045624402 /nfs/dbraw/zinc/62/44/02/1045624402.db2.gz WTGSFNOVASLJLZ-UZLBHIALSA-N 1 0 325.452 4.185 20 10 EICDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000790948134 1045631935 /nfs/dbraw/zinc/63/19/35/1045631935.db2.gz XZUJEUXXJINEMP-UHFFFAOYSA-N 1 0 333.712 4.493 20 10 EICDRO Fc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)o2)c1F ZINC000790954975 1045633780 /nfs/dbraw/zinc/63/37/80/1045633780.db2.gz IRCQRHOILBPPTE-UHFFFAOYSA-N 1 0 341.357 4.450 20 10 EICDRO CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000768131915 1045722276 /nfs/dbraw/zinc/72/22/76/1045722276.db2.gz BIHZGOUHYIWBFN-GOSISDBHSA-N 1 0 345.512 4.083 20 10 EICDRO COc1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cc1O ZINC000768134241 1045723328 /nfs/dbraw/zinc/72/33/28/1045723328.db2.gz QOKAZHNVMQFDQI-UHFFFAOYSA-N 1 0 341.451 4.441 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCCO1 ZINC000768163438 1045729692 /nfs/dbraw/zinc/72/96/92/1045729692.db2.gz YXTSTXLPAMESJQ-FQEVSTJZSA-N 1 0 348.446 4.122 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000768199678 1045739991 /nfs/dbraw/zinc/73/99/91/1045739991.db2.gz JALUKXJOPMHPJC-UHFFFAOYSA-N 1 0 348.494 4.079 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000768203484 1045741058 /nfs/dbraw/zinc/74/10/58/1045741058.db2.gz HZXQTTWQXFLUDC-OAHLLOKOSA-N 1 0 337.872 4.288 20 10 EICDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768207317 1045744426 /nfs/dbraw/zinc/74/44/26/1045744426.db2.gz CHLYDLWMIGZQHP-KNTRCKAVSA-N 1 0 336.479 4.059 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c1O ZINC000768256338 1045766326 /nfs/dbraw/zinc/76/63/26/1045766326.db2.gz CLKZQTJGTWZLSV-SUMWQHHRSA-N 1 0 327.424 4.282 20 10 EICDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000768269491 1045772752 /nfs/dbraw/zinc/77/27/52/1045772752.db2.gz UESLIIDCTWNGHK-IBGZPJMESA-N 1 0 338.495 4.333 20 10 EICDRO Cc1cc(O)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000768335585 1045789160 /nfs/dbraw/zinc/78/91/60/1045789160.db2.gz YEZIYTIFWRFXOV-UHFFFAOYSA-N 1 0 326.396 4.082 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000768330188 1045790790 /nfs/dbraw/zinc/79/07/90/1045790790.db2.gz PGQHYSAUTAXTHK-JOCHJYFZSA-N 1 0 336.479 4.169 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000768446177 1045806972 /nfs/dbraw/zinc/80/69/72/1045806972.db2.gz KKFBGEPMYTUTBL-GOSISDBHSA-N 1 0 341.451 4.445 20 10 EICDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(O)cc1C ZINC000768443137 1045807490 /nfs/dbraw/zinc/80/74/90/1045807490.db2.gz PFWRRORVTFSCGG-UHFFFAOYSA-N 1 0 344.411 4.028 20 10 EICDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2)CC2CCC2)cc1OC ZINC000768442556 1045807627 /nfs/dbraw/zinc/80/76/27/1045807627.db2.gz LUGBAIAOLSXTBA-UHFFFAOYSA-N 1 0 341.451 4.212 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c(O)cc1C ZINC000768453612 1045808561 /nfs/dbraw/zinc/80/85/61/1045808561.db2.gz ZVUCWBXXIIJRTK-KRWDZBQOSA-N 1 0 327.424 4.055 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000768459734 1045810395 /nfs/dbraw/zinc/81/03/95/1045810395.db2.gz OUOPTDAOBJHMSX-UHFFFAOYSA-N 1 0 340.467 4.170 20 10 EICDRO Oc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)CCCC2 ZINC000768465715 1045810793 /nfs/dbraw/zinc/81/07/93/1045810793.db2.gz QTMIKIUEYACRJP-UHFFFAOYSA-N 1 0 328.481 4.287 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1OC ZINC000768465752 1045811016 /nfs/dbraw/zinc/81/10/16/1045811016.db2.gz KGOZQDGNEMXTRK-YJBOKZPZSA-N 1 0 341.451 4.035 20 10 EICDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1OC ZINC000768465493 1045811173 /nfs/dbraw/zinc/81/11/73/1045811173.db2.gz IEKHESKTOJGDEX-GUYCJALGSA-N 1 0 345.414 4.132 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1O ZINC000768870608 1045850049 /nfs/dbraw/zinc/85/00/49/1045850049.db2.gz FQOXABOUFYWARY-UHFFFAOYSA-N 1 0 326.223 4.340 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1O ZINC000248385396 1045867821 /nfs/dbraw/zinc/86/78/21/1045867821.db2.gz IGKXQFPAQINUBS-YZVOILCLSA-N 1 0 330.497 4.187 20 10 EICDRO COc1ccc(N2CCC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000768999147 1045875162 /nfs/dbraw/zinc/87/51/62/1045875162.db2.gz UJXMZPUCQNPPOD-DENIHFKCSA-N 1 0 336.479 4.011 20 10 EICDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000769086465 1045881210 /nfs/dbraw/zinc/88/12/10/1045881210.db2.gz LYIHKHAYGBZHFL-NRFANRHFSA-N 1 0 336.479 4.106 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245417 1045902223 /nfs/dbraw/zinc/90/22/23/1045902223.db2.gz RJICKKCUSYESAJ-MJGOQNOKSA-N 1 0 331.843 4.134 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769309739 1045914411 /nfs/dbraw/zinc/91/44/11/1045914411.db2.gz FYANRGIPAGIVLH-HXUWFJFHSA-N 1 0 333.435 4.093 20 10 EICDRO Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)s1 ZINC000769315503 1045916551 /nfs/dbraw/zinc/91/65/51/1045916551.db2.gz BZLAPYWOLPKALN-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000153881167 1045944988 /nfs/dbraw/zinc/94/49/88/1045944988.db2.gz QXXSIMAJLILBRL-INIZCTEOSA-N 1 0 339.483 4.320 20 10 EICDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769403467 1045953592 /nfs/dbraw/zinc/95/35/92/1045953592.db2.gz IGSNYDYHDDQMEZ-QFIPXVFZSA-N 1 0 338.495 4.352 20 10 EICDRO CCN(CC)c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000769482079 1045968098 /nfs/dbraw/zinc/96/80/98/1045968098.db2.gz YIAFTNBIFOCOSB-UHFFFAOYSA-N 1 0 334.467 4.009 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1O ZINC000769461147 1045983035 /nfs/dbraw/zinc/98/30/35/1045983035.db2.gz OUGYRLHDZZLVTI-IBGZPJMESA-N 1 0 340.467 4.194 20 10 EICDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1O ZINC000769461149 1045983823 /nfs/dbraw/zinc/98/38/23/1045983823.db2.gz OUGYRLHDZZLVTI-LJQANCHMSA-N 1 0 340.467 4.194 20 10 EICDRO CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c(O)c1 ZINC000769476117 1045991461 /nfs/dbraw/zinc/99/14/61/1045991461.db2.gz WHWBONVTIAZHLC-IIBYNOLFSA-N 1 0 341.451 4.061 20 10 EICDRO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000769499924 1045998233 /nfs/dbraw/zinc/99/82/33/1045998233.db2.gz XTYKGXTYRPOKEI-DZGCQCFKSA-N 1 0 342.302 4.015 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000769516557 1046006665 /nfs/dbraw/zinc/00/66/65/1046006665.db2.gz MWXLUTWKPXCUFB-UHFFFAOYSA-N 1 0 331.529 4.442 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000769534144 1046008371 /nfs/dbraw/zinc/00/83/71/1046008371.db2.gz SAQIDDSKOXCKLJ-OAQYLSRUSA-N 1 0 338.495 4.181 20 10 EICDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000769552085 1046020360 /nfs/dbraw/zinc/02/03/60/1046020360.db2.gz ZHPJSISDDMAQEY-LLVKDONJSA-N 1 0 332.307 4.118 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(Br)cc1O ZINC000757641195 1046058327 /nfs/dbraw/zinc/05/83/27/1046058327.db2.gz YUIXXIBGWMBAOD-VHSXEESVSA-N 1 0 339.208 4.101 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792890072 1046094746 /nfs/dbraw/zinc/09/47/46/1046094746.db2.gz KJHMVRWCUWIROA-UHFFFAOYSA-N 1 0 338.373 4.070 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000792895952 1046095743 /nfs/dbraw/zinc/09/57/43/1046095743.db2.gz ZQRMPSJOSGWAOR-UHFFFAOYSA-N 1 0 326.337 4.200 20 10 EICDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(C)cc(OC)c1O ZINC000916567670 1046096654 /nfs/dbraw/zinc/09/66/54/1046096654.db2.gz GAHCCGRAAGEOIU-UHFFFAOYSA-N 1 0 325.861 4.446 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnn2-c2ccccc2C)cc1 ZINC000792921546 1046107071 /nfs/dbraw/zinc/10/70/71/1046107071.db2.gz PMBYQGHPIFSZES-UHFFFAOYSA-N 1 0 348.494 4.317 20 10 EICDRO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962747 1046110088 /nfs/dbraw/zinc/11/00/88/1046110088.db2.gz QGAVIEGABCSCKU-CABCVRRESA-N 1 0 346.496 4.005 20 10 EICDRO COc1ccccc1[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC(C)C ZINC000769933342 1046116794 /nfs/dbraw/zinc/11/67/94/1046116794.db2.gz KKMTUSMJAQRQKT-NRFANRHFSA-N 1 0 343.467 4.274 20 10 EICDRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC(C)C ZINC000769933348 1046116782 /nfs/dbraw/zinc/11/67/82/1046116782.db2.gz KKMTUSMJAQRQKT-OAQYLSRUSA-N 1 0 343.467 4.274 20 10 EICDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792989222 1046121130 /nfs/dbraw/zinc/12/11/30/1046121130.db2.gz HVKRLRBJCKNIAR-SNVBAGLBSA-N 1 0 341.377 4.227 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c(O)c1C ZINC000769987293 1046122084 /nfs/dbraw/zinc/12/20/84/1046122084.db2.gz JEFBHISUBFMUKW-SQGPQFPESA-N 1 0 326.484 4.351 20 10 EICDRO COCCC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000793010810 1046126102 /nfs/dbraw/zinc/12/61/02/1046126102.db2.gz NLBQEIUQMFPYSK-UHFFFAOYSA-N 1 0 344.421 4.068 20 10 EICDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793043238 1046129208 /nfs/dbraw/zinc/12/92/08/1046129208.db2.gz WEZRDZJRHYSPET-CYBMUJFWSA-N 1 0 337.389 4.326 20 10 EICDRO CN(C)c1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)c(C(F)(F)F)c1 ZINC000793059656 1046139855 /nfs/dbraw/zinc/13/98/55/1046139855.db2.gz QFELMSNLSKNUDC-UHFFFAOYSA-N 1 0 349.400 4.329 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293936 1046174747 /nfs/dbraw/zinc/17/47/47/1046174747.db2.gz ZTJNSLLOBPSKEQ-YJBOKZPZSA-N 1 0 348.487 4.041 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000154131806 1046178128 /nfs/dbraw/zinc/17/81/28/1046178128.db2.gz JANCGMDWEQNZPF-YLJYHZDGSA-N 1 0 341.499 4.223 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1C ZINC000770324515 1046181729 /nfs/dbraw/zinc/18/17/29/1046181729.db2.gz GYJUEJWTWSVDRU-PZJWPPBQSA-N 1 0 343.442 4.236 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000793270470 1046194419 /nfs/dbraw/zinc/19/44/19/1046194419.db2.gz SGMAMVIBGCHCTG-CRAIPNDOSA-N 1 0 329.415 4.356 20 10 EICDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793341376 1046203116 /nfs/dbraw/zinc/20/31/16/1046203116.db2.gz SSXVHLMKDORYRZ-KRWDZBQOSA-N 1 0 344.421 4.162 20 10 EICDRO COc1ccc(CC[N@@H+](Cc2ccccc2O)CC(C)C)cc1OC ZINC000770509996 1046210362 /nfs/dbraw/zinc/21/03/62/1046210362.db2.gz FTDXLBMUZHSJCQ-UHFFFAOYSA-N 1 0 343.467 4.110 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000793389464 1046231588 /nfs/dbraw/zinc/23/15/88/1046231588.db2.gz YWTKBXUNIRIBAZ-UHFFFAOYSA-N 1 0 345.748 4.363 20 10 EICDRO CCOc1cccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1O ZINC000770742792 1046266875 /nfs/dbraw/zinc/26/68/75/1046266875.db2.gz WWQIDFBKCHWAOZ-UHFFFAOYSA-N 1 0 329.415 4.043 20 10 EICDRO CC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1cc(Cl)ccc1O ZINC000793567960 1046295919 /nfs/dbraw/zinc/29/59/19/1046295919.db2.gz MVNMGMDFHMBSJF-ZDUSSCGKSA-N 1 0 342.773 4.283 20 10 EICDRO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc2c(cc1O)CCCC2 ZINC000793567585 1046296202 /nfs/dbraw/zinc/29/62/02/1046296202.db2.gz IMXPKBVQRVPNKW-AWEZNQCLSA-N 1 0 335.451 4.041 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CSC)C3)c2c1 ZINC000793794538 1046334733 /nfs/dbraw/zinc/33/47/33/1046334733.db2.gz XTBFXPYJCBDDSK-AWEZNQCLSA-N 1 0 331.481 4.129 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000771933453 1046525583 /nfs/dbraw/zinc/52/55/83/1046525583.db2.gz JGQMUWJQKWRWJX-UHFFFAOYSA-N 1 0 342.483 4.180 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(CSC(F)F)o2)cc1 ZINC000771934908 1046528535 /nfs/dbraw/zinc/52/85/35/1046528535.db2.gz HFYXHQABJSXBPK-UHFFFAOYSA-N 1 0 340.439 4.433 20 10 EICDRO COCc1cccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000771935498 1046529322 /nfs/dbraw/zinc/52/93/22/1046529322.db2.gz WLTBZSGAAOXYGC-UHFFFAOYSA-N 1 0 338.495 4.455 20 10 EICDRO Cc1cccc2nc(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)cn21 ZINC000917075017 1046637132 /nfs/dbraw/zinc/63/71/32/1046637132.db2.gz OOBKAKHRPIXTCB-UHFFFAOYSA-N 1 0 336.483 4.119 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCc2ccc(OC)cc2)cc1 ZINC000772477029 1046648985 /nfs/dbraw/zinc/64/89/85/1046648985.db2.gz QSPOFEMLZKBVMX-KRWDZBQOSA-N 1 0 342.483 4.019 20 10 EICDRO COc1cccc(O)c1C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000785560269 1046711923 /nfs/dbraw/zinc/71/19/23/1046711923.db2.gz QIOQHSUJFCZUQP-LBPRGKRZSA-N 1 0 339.357 4.313 20 10 EICDRO Oc1ccc(Br)cc1CNc1cc[nH+]c2c(O)cccc12 ZINC000804828716 1046818532 /nfs/dbraw/zinc/81/85/32/1046818532.db2.gz XNUDNQMPSYYMKQ-UHFFFAOYSA-N 1 0 345.196 4.021 20 10 EICDRO Cc1cscc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000786929694 1046887958 /nfs/dbraw/zinc/88/79/58/1046887958.db2.gz URWUWKZHFRGRRN-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO Cc1cccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)c1O ZINC000787313399 1046993585 /nfs/dbraw/zinc/99/35/85/1046993585.db2.gz BMSRRPUKJLIFLT-UHFFFAOYSA-N 1 0 338.382 4.317 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(N(C)C)cc1 ZINC000154455294 1047017221 /nfs/dbraw/zinc/01/72/21/1047017221.db2.gz WRSHYUAFMBUSCU-MRXNPFEDSA-N 1 0 348.494 4.218 20 10 EICDRO CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127676 1047146546 /nfs/dbraw/zinc/14/65/46/1047146546.db2.gz IUDAUVMPLVJAPW-HNNXBMFYSA-N 1 0 331.287 4.226 20 10 EICDRO CCC(O)(CC)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000788274716 1047154697 /nfs/dbraw/zinc/15/46/97/1047154697.db2.gz RKPIYEKOKMOFAI-UHFFFAOYSA-N 1 0 343.467 4.002 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172496 1047157157 /nfs/dbraw/zinc/15/71/57/1047157157.db2.gz NENUJVPLMXZOBG-IIBYNOLFSA-N 1 0 343.490 4.235 20 10 EICDRO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172538 1047158203 /nfs/dbraw/zinc/15/82/03/1047158203.db2.gz NYKKYFQSNUEGFR-NHCUHLMSSA-N 1 0 343.490 4.235 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000806175148 1047160535 /nfs/dbraw/zinc/16/05/35/1047160535.db2.gz VUQGLNORIMOELC-YVEFUNNKSA-N 1 0 339.357 4.104 20 10 EICDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000806176297 1047180569 /nfs/dbraw/zinc/18/05/69/1047180569.db2.gz NPGCIFZFXHKKIH-LBPRGKRZSA-N 1 0 344.293 4.258 20 10 EICDRO CC1=CC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000788544204 1047218327 /nfs/dbraw/zinc/21/83/27/1047218327.db2.gz DCUJKXNYSQOFJT-JZXOWHBKSA-N 1 0 332.463 4.028 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)c(O)c1 ZINC000788575441 1047236641 /nfs/dbraw/zinc/23/66/41/1047236641.db2.gz WPMMDGUVTLYYTF-JKSUJKDBSA-N 1 0 344.524 4.168 20 10 EICDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593640 1047242137 /nfs/dbraw/zinc/24/21/37/1047242137.db2.gz HEVWHMDXGMMTQI-UONOGXRCSA-N 1 0 344.421 4.182 20 10 EICDRO CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000788607605 1047246323 /nfs/dbraw/zinc/24/63/23/1047246323.db2.gz VYGLGPJDVPOFKV-JTQLQIEISA-N 1 0 330.291 4.009 20 10 EICDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788731924 1047294142 /nfs/dbraw/zinc/29/41/42/1047294142.db2.gz CMOQKORLIYLZIS-KRWDZBQOSA-N 1 0 335.451 4.354 20 10 EICDRO Oc1ccccc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788972791 1047337494 /nfs/dbraw/zinc/33/74/94/1047337494.db2.gz GHABPIYQBUPSDF-AWEZNQCLSA-N 1 0 337.250 4.068 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC3 ZINC000789510620 1047435618 /nfs/dbraw/zinc/43/56/18/1047435618.db2.gz BBSFUVRJGCWPHG-VQIMIIECSA-N 1 0 341.451 4.161 20 10 EICDRO CCOC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)C ZINC000789589366 1047442748 /nfs/dbraw/zinc/44/27/48/1047442748.db2.gz PCBMZNGRGGOOCT-FQEVSTJZSA-N 1 0 343.467 4.122 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1O ZINC000789778127 1047474450 /nfs/dbraw/zinc/47/44/50/1047474450.db2.gz DMTJAAASSXFXPM-PKOBYXMFSA-N 1 0 333.859 4.202 20 10 EICDRO CCC[C@@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000897925489 1047505620 /nfs/dbraw/zinc/50/56/20/1047505620.db2.gz ITVLBCLLIWEAOY-HXUWFJFHSA-N 1 0 329.440 4.215 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000790487429 1047597875 /nfs/dbraw/zinc/59/78/75/1047597875.db2.gz MBKDAAPNQKMCTQ-OALUTQOASA-N 1 0 340.515 4.082 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1OC ZINC000808223419 1047631039 /nfs/dbraw/zinc/63/10/39/1047631039.db2.gz MCSRVFGTRUJFNX-KRWDZBQOSA-N 1 0 333.453 4.054 20 10 EICDRO COc1cc(O)c(C[NH2+]CC(C)(C)c2ccc(C)cc2C)cc1OC ZINC000814173033 1047865829 /nfs/dbraw/zinc/86/58/29/1047865829.db2.gz GWUDFBOAPPRYJE-UHFFFAOYSA-N 1 0 343.467 4.094 20 10 EICDRO COc1cccc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1O ZINC000814178928 1047869209 /nfs/dbraw/zinc/86/92/09/1047869209.db2.gz JFYFZXCDLYDTPA-INIZCTEOSA-N 1 0 349.883 4.421 20 10 EICDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824702903 1047903385 /nfs/dbraw/zinc/90/33/85/1047903385.db2.gz SZPRYTSXHDHVKN-OAHLLOKOSA-N 1 0 332.513 4.024 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751461 1047937879 /nfs/dbraw/zinc/93/78/79/1047937879.db2.gz XNCCDNQMGJMNQQ-IBGZPJMESA-N 1 0 328.500 4.116 20 10 EICDRO Cc1csc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1 ZINC000824751060 1047939260 /nfs/dbraw/zinc/93/92/60/1047939260.db2.gz RFNQNDNTMDSROQ-UHFFFAOYSA-N 1 0 326.259 4.123 20 10 EICDRO CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000824795362 1047968583 /nfs/dbraw/zinc/96/85/83/1047968583.db2.gz WNDNHQJARRQBFB-AWEZNQCLSA-N 1 0 349.368 4.218 20 10 EICDRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(C(F)(F)F)cc1O ZINC000825017094 1048020242 /nfs/dbraw/zinc/02/02/42/1048020242.db2.gz LLPMJEOAQGTFMZ-BPNCWPANSA-N 1 0 339.361 4.354 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1O ZINC000808682000 1048036499 /nfs/dbraw/zinc/03/64/99/1048036499.db2.gz LHLWJFYUWYWYCP-AWEZNQCLSA-N 1 0 330.859 4.020 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000808687558 1048039997 /nfs/dbraw/zinc/03/99/97/1048039997.db2.gz SRJVSQKSFKWBOW-GFCCVEGCSA-N 1 0 336.838 4.410 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000825129718 1048040591 /nfs/dbraw/zinc/04/05/91/1048040591.db2.gz BLYTYESJUJNXTO-IAQYHMDHSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000825150888 1048045188 /nfs/dbraw/zinc/04/51/88/1048045188.db2.gz LLRNHBQJUOICEZ-OALUTQOASA-N 1 0 331.843 4.364 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674634 1048045472 /nfs/dbraw/zinc/04/54/72/1048045472.db2.gz KXYBMWVZRDPSSL-QWHCGFSZSA-N 1 0 348.878 4.084 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1OC ZINC000808673009 1048045666 /nfs/dbraw/zinc/04/56/66/1048045666.db2.gz VOTSDIYSRPQBRA-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1O ZINC000808672699 1048046036 /nfs/dbraw/zinc/04/60/36/1048046036.db2.gz RKCVKWMZBFMJIH-RHSMWYFYSA-N 1 0 348.874 4.435 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000825240145 1048057171 /nfs/dbraw/zinc/05/71/71/1048057171.db2.gz DLOLYRPQIMEJES-OAHLLOKOSA-N 1 0 336.204 4.071 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1O ZINC000808712488 1048058170 /nfs/dbraw/zinc/05/81/70/1048058170.db2.gz DUOPVNYBUDITRY-LBPRGKRZSA-N 1 0 328.803 4.108 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000808715402 1048061897 /nfs/dbraw/zinc/06/18/97/1048061897.db2.gz CTFRDQMDZHAWJJ-XJKSGUPXSA-N 1 0 347.890 4.340 20 10 EICDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712917 1048062454 /nfs/dbraw/zinc/06/24/54/1048062454.db2.gz JGNBNKYTNKLFPT-HIFRSBDPSA-N 1 0 337.847 4.245 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000825291045 1048062568 /nfs/dbraw/zinc/06/25/68/1048062568.db2.gz CNDLOWAFTNZRGC-UHFFFAOYSA-N 1 0 336.204 4.073 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1O ZINC000808718180 1048066391 /nfs/dbraw/zinc/06/63/91/1048066391.db2.gz QCVYTKATPUTABC-LBPRGKRZSA-N 1 0 329.831 4.124 20 10 EICDRO CC[C@](C)([NH2+]Cc1ccc(Br)cc1O)c1nccs1 ZINC000825292581 1048066907 /nfs/dbraw/zinc/06/69/07/1048066907.db2.gz YUJLWMXDWSPCLE-AWEZNQCLSA-N 1 0 341.274 4.026 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)cc1Cl ZINC000825396570 1048086758 /nfs/dbraw/zinc/08/67/58/1048086758.db2.gz VBIIPCVFAOTIRL-IAQYHMDHSA-N 1 0 325.861 4.017 20 10 EICDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451225 1048095076 /nfs/dbraw/zinc/09/50/76/1048095076.db2.gz RKGSHBFQAMWJBH-AWEZNQCLSA-N 1 0 328.456 4.286 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000825478423 1048095954 /nfs/dbraw/zinc/09/59/54/1048095954.db2.gz AKBVWIIBQSAIPE-HUUCEWRRSA-N 1 0 336.907 4.097 20 10 EICDRO COc1cc(C[N@H+](C)[C@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500910 1048104535 /nfs/dbraw/zinc/10/45/35/1048104535.db2.gz JVMQDULMTPMVKL-CQSZACIVSA-N 1 0 328.456 4.286 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1O ZINC000155110676 1048162388 /nfs/dbraw/zinc/16/23/88/1048162388.db2.gz DTQAPROBIRYQJE-GOSISDBHSA-N 1 0 326.440 4.350 20 10 EICDRO COc1cccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1O ZINC000155113714 1048179965 /nfs/dbraw/zinc/17/99/65/1048179965.db2.gz OIISEIBAROGUPR-UHFFFAOYSA-N 1 0 347.842 4.098 20 10 EICDRO Cc1oc(-c2ccsc2)nc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000844219960 1048225138 /nfs/dbraw/zinc/22/51/38/1048225138.db2.gz PEMRJLHHSFHLJM-UHFFFAOYSA-N 1 0 339.464 4.123 20 10 EICDRO CC[C@H](OCC[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000844312062 1048269842 /nfs/dbraw/zinc/26/98/42/1048269842.db2.gz IKMBPROTNJRCQI-YWZLYKJASA-N 1 0 329.440 4.219 20 10 EICDRO Cc1cc(C[N@H+](C)Cc2ccc(Br)o2)ccc1N(C)C ZINC000815010769 1048295893 /nfs/dbraw/zinc/29/58/93/1048295893.db2.gz YXBSZJLHGJNUQP-UHFFFAOYSA-N 1 0 337.261 4.049 20 10 EICDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000815139241 1048363948 /nfs/dbraw/zinc/36/39/48/1048363948.db2.gz CHCIQCOGNDRGFG-AWEZNQCLSA-N 1 0 347.890 4.417 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815148417 1048367166 /nfs/dbraw/zinc/36/71/66/1048367166.db2.gz VSPQJYHTYHBODB-MRXNPFEDSA-N 1 0 327.472 4.264 20 10 EICDRO Oc1cc2c(cc1O)C[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)CCC2 ZINC001171136822 1048410534 /nfs/dbraw/zinc/41/05/34/1048410534.db2.gz WPNWSHBQXSPEMT-SFHVURJKSA-N 1 0 343.854 4.057 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1O ZINC000809655181 1048456879 /nfs/dbraw/zinc/45/68/79/1048456879.db2.gz CVUJXEWZQOFZOT-SFHVURJKSA-N 1 0 333.859 4.203 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000809689947 1048457319 /nfs/dbraw/zinc/45/73/19/1048457319.db2.gz FQORCDQJTBGPPX-FQEVSTJZSA-N 1 0 347.405 4.463 20 10 EICDRO COc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2OC)c1O ZINC000809694676 1048459567 /nfs/dbraw/zinc/45/95/67/1048459567.db2.gz SYNLHHUHYLDHLB-QAPCUYQASA-N 1 0 341.451 4.383 20 10 EICDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809700961 1048465191 /nfs/dbraw/zinc/46/51/91/1048465191.db2.gz RVFZPAHFHHJQTC-RXVVDRJESA-N 1 0 330.516 4.192 20 10 EICDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809699995 1048465983 /nfs/dbraw/zinc/46/59/83/1048465983.db2.gz VPEBRQGUGGHARZ-QYZOEREBSA-N 1 0 343.854 4.050 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nc1 ZINC000844711564 1048475138 /nfs/dbraw/zinc/47/51/38/1048475138.db2.gz IBZKTSXISRUOON-UHFFFAOYSA-N 1 0 348.446 4.329 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000809736480 1048488628 /nfs/dbraw/zinc/48/86/28/1048488628.db2.gz XAUOCSYZWWKSQV-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1Cl ZINC000809713087 1048492181 /nfs/dbraw/zinc/49/21/81/1048492181.db2.gz IAJQRTPFWVROLM-UHFFFAOYSA-N 1 0 340.648 4.406 20 10 EICDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)O[C@@H](C)C2 ZINC000815557908 1048507381 /nfs/dbraw/zinc/50/73/81/1048507381.db2.gz JTKOTDRYJKKYSZ-GJZGRUSLSA-N 1 0 341.451 4.192 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1cccnc1 ZINC000815557966 1048507549 /nfs/dbraw/zinc/50/75/49/1048507549.db2.gz LSWUUOMKTJUODN-NRFANRHFSA-N 1 0 332.447 4.293 20 10 EICDRO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815570503 1048508053 /nfs/dbraw/zinc/50/80/53/1048508053.db2.gz DOIBKDSOGATZMU-LBPRGKRZSA-N 1 0 342.405 4.079 20 10 EICDRO COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)c1O ZINC000809739697 1048509991 /nfs/dbraw/zinc/50/99/91/1048509991.db2.gz BRMFSSPPOFCLKG-UHFFFAOYSA-N 1 0 325.433 4.419 20 10 EICDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815579548 1048519333 /nfs/dbraw/zinc/51/93/33/1048519333.db2.gz PHAUHQCXJPWIRF-FPOVZHCZSA-N 1 0 327.468 4.063 20 10 EICDRO CCc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)on1 ZINC000815582529 1048520179 /nfs/dbraw/zinc/52/01/79/1048520179.db2.gz IXIZXIQJRGNVNQ-FQEVSTJZSA-N 1 0 336.435 4.406 20 10 EICDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000809756822 1048522344 /nfs/dbraw/zinc/52/23/44/1048522344.db2.gz JVCXDBROXNYMHK-LJQANCHMSA-N 1 0 326.488 4.210 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1F ZINC000809764814 1048524568 /nfs/dbraw/zinc/52/45/68/1048524568.db2.gz ZYTYOAZKPOVWRH-UHFFFAOYSA-N 1 0 327.447 4.232 20 10 EICDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815587554 1048524695 /nfs/dbraw/zinc/52/46/95/1048524695.db2.gz NHYWRILAHGRERO-QGZVFWFLSA-N 1 0 343.467 4.193 20 10 EICDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCO1 ZINC000815590530 1048527453 /nfs/dbraw/zinc/52/74/53/1048527453.db2.gz ZBDFGQNTSWSQTA-LMNJBCLMSA-N 1 0 339.479 4.471 20 10 EICDRO CC[C@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595260 1048529665 /nfs/dbraw/zinc/52/96/65/1048529665.db2.gz MEHNQWUPSHWQHX-AZUAARDMSA-N 1 0 327.468 4.207 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000815599154 1048532415 /nfs/dbraw/zinc/53/24/15/1048532415.db2.gz MFZOQWGUVQRSGV-MRXNPFEDSA-N 1 0 335.451 4.260 20 10 EICDRO COc1ccccc1C1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815572930 1048537031 /nfs/dbraw/zinc/53/70/31/1048537031.db2.gz SGGYFDKSLWKSBP-MRXNPFEDSA-N 1 0 325.452 4.400 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)c(O)c1 ZINC000815572833 1048537319 /nfs/dbraw/zinc/53/73/19/1048537319.db2.gz OYEOVIVTNPOVNM-KRWDZBQOSA-N 1 0 335.451 4.088 20 10 EICDRO Cc1nnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)s1 ZINC000815615882 1048541883 /nfs/dbraw/zinc/54/18/83/1048541883.db2.gz ZYXFFBJQJHYCTK-KRWDZBQOSA-N 1 0 339.464 4.016 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000815622299 1048547316 /nfs/dbraw/zinc/54/73/16/1048547316.db2.gz RDAPQYFAANRENR-MJGOQNOKSA-N 1 0 327.493 4.409 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000815627485 1048550022 /nfs/dbraw/zinc/55/00/22/1048550022.db2.gz BWULJVCHTVOYAM-SJORKVTESA-N 1 0 342.458 4.325 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000815627269 1048550934 /nfs/dbraw/zinc/55/09/34/1048550934.db2.gz XSYJEPPLKGSXBQ-GDBMZVCRSA-N 1 0 333.859 4.089 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000920180844 1048561190 /nfs/dbraw/zinc/56/11/90/1048561190.db2.gz VSGGNDAUUWXXOG-UHFFFAOYSA-N 1 0 326.484 4.448 20 10 EICDRO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000815637080 1048565492 /nfs/dbraw/zinc/56/54/92/1048565492.db2.gz LXRUQFPZHNQDEA-ZDUSSCGKSA-N 1 0 337.389 4.060 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cc[nH]c(=O)c1 ZINC000815642545 1048567544 /nfs/dbraw/zinc/56/75/44/1048567544.db2.gz FTAGISGNRUNSSA-LSDHHAIUSA-N 1 0 343.446 4.328 20 10 EICDRO COc1ccc(O)c(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)c1 ZINC000810145296 1048654068 /nfs/dbraw/zinc/65/40/68/1048654068.db2.gz YNBWMQAATKDQDY-UKTHLTGXSA-N 1 0 349.377 4.195 20 10 EICDRO c1cc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2s1 ZINC000810159839 1048663635 /nfs/dbraw/zinc/66/36/35/1048663635.db2.gz KQASSKHRZDJFFM-UHFFFAOYSA-N 1 0 338.476 4.028 20 10 EICDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(C(F)(F)F)cc1O ZINC000810215533 1048684627 /nfs/dbraw/zinc/68/46/27/1048684627.db2.gz YYYXUYKLLIUSAO-OAHLLOKOSA-N 1 0 341.377 4.002 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1O ZINC000810219949 1048688430 /nfs/dbraw/zinc/68/84/30/1048688430.db2.gz NXHTWRMZOFBINT-DZGCQCFKSA-N 1 0 343.345 4.087 20 10 EICDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810220875 1048688912 /nfs/dbraw/zinc/68/89/12/1048688912.db2.gz GGKLKOCMHYMGOF-NJZAAPMLSA-N 1 0 333.394 4.249 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810221071 1048690049 /nfs/dbraw/zinc/69/00/49/1048690049.db2.gz KLMPPZORGMAKCN-XJKSGUPXSA-N 1 0 347.421 4.496 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C(F)(F)F)cc1O ZINC000810224729 1048692534 /nfs/dbraw/zinc/69/25/34/1048692534.db2.gz XGNBLRPUWQELOE-MPTYRVRUSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@@H]([NH2+]CCCc1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000810228784 1048695925 /nfs/dbraw/zinc/69/59/25/1048695925.db2.gz YTEYBTSNEXDRPO-MRXNPFEDSA-N 1 0 338.373 4.480 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228868 1048696051 /nfs/dbraw/zinc/69/60/51/1048696051.db2.gz NAYQLKKWTYRYMX-NDPMZMCLSA-N 1 0 331.378 4.408 20 10 EICDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810228870 1048696511 /nfs/dbraw/zinc/69/65/11/1048696511.db2.gz NAYQLKKWTYRYMX-WJNVRWDZSA-N 1 0 331.378 4.408 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810232336 1048699136 /nfs/dbraw/zinc/69/91/36/1048699136.db2.gz YHHFNUMJUPUVMQ-PWSUYJOCSA-N 1 0 345.283 4.029 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000748046910 1048701611 /nfs/dbraw/zinc/70/16/11/1048701611.db2.gz WVCUGGIDRHAOEL-IBGZPJMESA-N 1 0 343.398 4.080 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1O ZINC000810209955 1048705160 /nfs/dbraw/zinc/70/51/60/1048705160.db2.gz XPDNPWGNEHAHCL-LZWOXQAQSA-N 1 0 342.405 4.079 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209964 1048705580 /nfs/dbraw/zinc/70/55/80/1048705580.db2.gz XSKJYFWJXYFSJN-XHSDSOJGSA-N 1 0 342.405 4.079 20 10 EICDRO C[N@H+](Cc1sc2ccccc2c1Cl)Cc1c(O)cc(O)cc1O ZINC001144514693 1048708131 /nfs/dbraw/zinc/70/81/31/1048708131.db2.gz OYICBHJYYHBWKS-UHFFFAOYSA-N 1 0 349.839 4.304 20 10 EICDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000810260020 1048708783 /nfs/dbraw/zinc/70/87/83/1048708783.db2.gz ZYFJQWZGUBGXGT-UWJYYQICSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(N(C)C)cc1 ZINC000810253560 1048728808 /nfs/dbraw/zinc/72/88/08/1048728808.db2.gz WWTJXNQCUZWMOA-ICSRJNTNSA-N 1 0 344.524 4.343 20 10 EICDRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cc(Cl)ccc1O ZINC000810253477 1048731357 /nfs/dbraw/zinc/73/13/57/1048731357.db2.gz VBNDFHLCELRAGS-DIFFPNOSSA-N 1 0 337.872 4.246 20 10 EICDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254262 1048731955 /nfs/dbraw/zinc/73/19/55/1048731955.db2.gz LDDJBIHSFHTFGB-IAGOWNOFSA-N 1 0 335.511 4.195 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)c1 ZINC000845971195 1048773852 /nfs/dbraw/zinc/77/38/52/1048773852.db2.gz IGXBDINGCGRNHR-LLVKDONJSA-N 1 0 328.437 4.170 20 10 EICDRO C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CC(C)(C)O1 ZINC000920863699 1048797487 /nfs/dbraw/zinc/79/74/87/1048797487.db2.gz ATGZDHGSVQICPN-CYBMUJFWSA-N 1 0 329.440 4.017 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051601 1048807216 /nfs/dbraw/zinc/80/72/16/1048807216.db2.gz HBJCACMIKWFTFK-PXAZEXFGSA-N 1 0 345.414 4.493 20 10 EICDRO CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051620 1048807279 /nfs/dbraw/zinc/80/72/79/1048807279.db2.gz HMMIYQLSEUAFSU-MRXNPFEDSA-N 1 0 345.414 4.322 20 10 EICDRO Oc1c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)ccc2ccccc21 ZINC000816483182 1048812082 /nfs/dbraw/zinc/81/20/82/1048812082.db2.gz IMZGNYKHTHELGJ-QFIPXVFZSA-N 1 0 347.458 4.491 20 10 EICDRO COc1ccc(O)c(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000846114080 1048815065 /nfs/dbraw/zinc/81/50/65/1048815065.db2.gz GOXYEKNWJYRBED-UHFFFAOYSA-N 1 0 337.341 4.199 20 10 EICDRO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)N1CCCCC1 ZINC000920957182 1048821044 /nfs/dbraw/zinc/82/10/44/1048821044.db2.gz MWWXLLDVFKSPCF-UHFFFAOYSA-N 1 0 329.532 4.031 20 10 EICDRO Oc1c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)ccc2ccccc21 ZINC000816502071 1048822127 /nfs/dbraw/zinc/82/21/27/1048822127.db2.gz MQRKUYZMPUUMMX-FQEVSTJZSA-N 1 0 337.394 4.258 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000846149568 1048823338 /nfs/dbraw/zinc/82/33/38/1048823338.db2.gz JOPDIEUOIWLXBV-YNEHKIRRSA-N 1 0 331.378 4.420 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)c1O ZINC000846147410 1048823649 /nfs/dbraw/zinc/82/36/49/1048823649.db2.gz UVCDBLDEJYOWST-KSSFIOAISA-N 1 0 343.467 4.083 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)c1O ZINC000846147411 1048823835 /nfs/dbraw/zinc/82/38/35/1048823835.db2.gz UVCDBLDEJYOWST-RDTXWAMCSA-N 1 0 343.467 4.083 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)c1O ZINC000846155713 1048824188 /nfs/dbraw/zinc/82/41/88/1048824188.db2.gz VPNIPIBLDJUZDQ-SJCJKPOMSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c1O ZINC000846151222 1048825234 /nfs/dbraw/zinc/82/52/34/1048825234.db2.gz VRGHFLPBYRRASH-HNNXBMFYSA-N 1 0 341.451 4.349 20 10 EICDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846163549 1048826708 /nfs/dbraw/zinc/82/67/08/1048826708.db2.gz BJFBIALOEPEUID-LBPRGKRZSA-N 1 0 327.380 4.006 20 10 EICDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170392 1048828250 /nfs/dbraw/zinc/82/82/50/1048828250.db2.gz KDHLJHZARYQKBM-WBMJQRKESA-N 1 0 335.831 4.093 20 10 EICDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548465 1048828180 /nfs/dbraw/zinc/82/81/80/1048828180.db2.gz ITLQYXGMRDCQHX-DYESRHJHSA-N 1 0 346.474 4.471 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1O ZINC000846135370 1048829694 /nfs/dbraw/zinc/82/96/94/1048829694.db2.gz CHSCGRXJACOPJM-NWDGAFQWSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1O ZINC000846140244 1048830324 /nfs/dbraw/zinc/83/03/24/1048830324.db2.gz KTZBTIXYJYPLAK-NWDGAFQWSA-N 1 0 337.366 4.414 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141205 1048830458 /nfs/dbraw/zinc/83/04/58/1048830458.db2.gz FYVSGTXJNUZMRT-IAQYHMDHSA-N 1 0 333.815 4.229 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2csc(Br)c2)c1O ZINC000846139714 1048830671 /nfs/dbraw/zinc/83/06/71/1048830671.db2.gz SIAWAOVBAUERND-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2CSC)c1O ZINC000846144458 1048831394 /nfs/dbraw/zinc/83/13/94/1048831394.db2.gz DTASTFRXZRIZPW-GFCCVEGCSA-N 1 0 335.444 4.254 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1O ZINC000846144773 1048831780 /nfs/dbraw/zinc/83/17/80/1048831780.db2.gz KCCQFKZHPAITMA-LBPRGKRZSA-N 1 0 334.485 4.048 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000846142525 1048831705 /nfs/dbraw/zinc/83/17/05/1048831705.db2.gz VBSIUHDAQCWNBE-SOVGHPHASA-N 1 0 345.414 4.111 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204372 1048833238 /nfs/dbraw/zinc/83/32/38/1048833238.db2.gz ZSOGLYXLTOEMQE-BLLLJJGKSA-N 1 0 345.414 4.493 20 10 EICDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc2ccccc2c1O ZINC000816553747 1048833729 /nfs/dbraw/zinc/83/37/29/1048833729.db2.gz FXCAJRKFWZTCDY-LJQANCHMSA-N 1 0 335.403 4.167 20 10 EICDRO Oc1c(C[NH2+]Cc2c(F)c(F)cc(F)c2F)ccc2ccccc21 ZINC000816555856 1048833781 /nfs/dbraw/zinc/83/37/81/1048833781.db2.gz RQWGORPUANGKPW-UHFFFAOYSA-N 1 0 335.300 4.392 20 10 EICDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000816555918 1048834424 /nfs/dbraw/zinc/83/44/24/1048834424.db2.gz UHAFDAOKSOCKNJ-UHFFFAOYSA-N 1 0 340.870 4.071 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@](C)(O)c1ccccc1 ZINC000846189710 1048838700 /nfs/dbraw/zinc/83/87/00/1048838700.db2.gz RSJHQTNYPWZBJD-DMPWYTOCSA-N 1 0 335.447 4.492 20 10 EICDRO OC[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816601370 1048841925 /nfs/dbraw/zinc/84/19/25/1048841925.db2.gz ZIHAYBPINWLOBG-HSZRJFAPSA-N 1 0 347.458 4.072 20 10 EICDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccc(Cl)cc1 ZINC000816611940 1048844179 /nfs/dbraw/zinc/84/41/79/1048844179.db2.gz BFRSYLYIXBXDPP-QGZVFWFLSA-N 1 0 341.838 4.065 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1C ZINC000921197528 1048866411 /nfs/dbraw/zinc/86/64/11/1048866411.db2.gz OYUGZZCNKBQKLZ-KRWDZBQOSA-N 1 0 344.886 4.273 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000817413836 1048963373 /nfs/dbraw/zinc/96/33/73/1048963373.db2.gz BEQGIXXXWAERKA-UHFFFAOYSA-N 1 0 344.524 4.169 20 10 EICDRO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000817415024 1048966616 /nfs/dbraw/zinc/96/66/16/1048966616.db2.gz RPBYLLSGGIJONL-CQSZACIVSA-N 1 0 331.378 4.147 20 10 EICDRO COc1cc(O)c(C[N@H+](C(C)C)[C@H](C)c2ccsc2)cc1OC ZINC000817415938 1048967548 /nfs/dbraw/zinc/96/75/48/1048967548.db2.gz AVABPJATAZBVRT-CYBMUJFWSA-N 1 0 335.469 4.443 20 10 EICDRO C[C@H]1C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942499 1049061609 /nfs/dbraw/zinc/06/16/09/1049061609.db2.gz PANPIQZZWQOHRS-VUCTXSBTSA-N 1 0 347.553 4.029 20 10 EICDRO C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955398 1049066357 /nfs/dbraw/zinc/06/63/57/1049066357.db2.gz XPGUEBPHUVNLTB-OXJNMPFZSA-N 1 0 341.474 4.167 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817956300 1049067241 /nfs/dbraw/zinc/06/72/41/1049067241.db2.gz VZEIMKOQDFVXJQ-INIZCTEOSA-N 1 0 341.474 4.292 20 10 EICDRO CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817980689 1049077477 /nfs/dbraw/zinc/07/74/77/1049077477.db2.gz MPTNXBIRYRXWFR-WFASDCNBSA-N 1 0 331.287 4.272 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Br)ccc1O ZINC000817981338 1049078694 /nfs/dbraw/zinc/07/86/94/1049078694.db2.gz RECPSVKREFNZBJ-INIZCTEOSA-N 1 0 349.272 4.286 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985331 1049080634 /nfs/dbraw/zinc/08/06/34/1049080634.db2.gz CQAAUCUCZFUSFF-OHTBPHCPSA-N 1 0 343.298 4.128 20 10 EICDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518410 1049101281 /nfs/dbraw/zinc/10/12/81/1049101281.db2.gz JPAHZSBVCAAWGC-LEWJYISDSA-N 1 0 340.511 4.210 20 10 EICDRO COC(OC)c1ccc(F)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000818203992 1049106772 /nfs/dbraw/zinc/10/67/72/1049106772.db2.gz KDQSJYUJLNAWTA-AWEZNQCLSA-N 1 0 346.446 4.034 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]C/C(C)=C\c3ccccc3)C2)cc1 ZINC000818222676 1049116311 /nfs/dbraw/zinc/11/63/11/1049116311.db2.gz ZUCRAOHAFNPAKX-BXWQOUMASA-N 1 0 336.479 4.215 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(F)c3F)C2)cc1 ZINC000818342151 1049133985 /nfs/dbraw/zinc/13/39/85/1049133985.db2.gz MOWKLUIFKQPVQC-GJZGRUSLSA-N 1 0 346.421 4.151 20 10 EICDRO CCc1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811798015 1049269505 /nfs/dbraw/zinc/26/95/05/1049269505.db2.gz GGVISYBMQCEKKN-GOSISDBHSA-N 1 0 341.499 4.204 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800752 1049269601 /nfs/dbraw/zinc/26/96/01/1049269601.db2.gz BHYFBKJDMXMNPL-MRXNPFEDSA-N 1 0 333.863 4.121 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc2c(c1)OCCO2 ZINC000772998358 1049501149 /nfs/dbraw/zinc/50/11/49/1049501149.db2.gz KHSVAYPKNPIUCF-GOSISDBHSA-N 1 0 340.467 4.073 20 10 EICDRO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000772999311 1049504046 /nfs/dbraw/zinc/50/40/46/1049504046.db2.gz ITQYASNDUQOGDS-KRWDZBQOSA-N 1 0 340.446 4.019 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc2ccccc2c1O ZINC000812735440 1049554087 /nfs/dbraw/zinc/55/40/87/1049554087.db2.gz RQTWNXRFVGOECA-CQSZACIVSA-N 1 0 331.419 4.283 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000812735370 1049554788 /nfs/dbraw/zinc/55/47/88/1049554788.db2.gz CISBSNUUCXOCIF-QAPCUYQASA-N 1 0 328.431 4.099 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O ZINC000812735371 1049555399 /nfs/dbraw/zinc/55/53/99/1049555399.db2.gz CISBSNUUCXOCIF-YJBOKZPZSA-N 1 0 328.431 4.099 20 10 EICDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000773071369 1049563084 /nfs/dbraw/zinc/56/30/84/1049563084.db2.gz UICKDJBPQVRBOJ-GOSISDBHSA-N 1 0 330.516 4.270 20 10 EICDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccccc1O ZINC000763461824 1049565186 /nfs/dbraw/zinc/56/51/86/1049565186.db2.gz FCLURNMFHFZSSF-UHFFFAOYSA-N 1 0 349.478 4.224 20 10 EICDRO Cn1ncc2ccc(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)cc21 ZINC000812771529 1049569517 /nfs/dbraw/zinc/56/95/17/1049569517.db2.gz YAJBXTIRUVVTLA-UHFFFAOYSA-N 1 0 343.430 4.236 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000812781253 1049576306 /nfs/dbraw/zinc/57/63/06/1049576306.db2.gz NENSQKLTOAMNGE-KGLIPLIRSA-N 1 0 331.378 4.344 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(N2CCCCCC2)cc1 ZINC000773093688 1049578105 /nfs/dbraw/zinc/57/81/05/1049578105.db2.gz FSCDYRGGOJRPAT-INIZCTEOSA-N 1 0 327.447 4.452 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107937 1049583768 /nfs/dbraw/zinc/58/37/68/1049583768.db2.gz RKGLNTKMDZLTRG-ZBFHGGJFSA-N 1 0 344.421 4.031 20 10 EICDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773108508 1049585793 /nfs/dbraw/zinc/58/57/93/1049585793.db2.gz QYOBGLOPKPDYQG-FXAWDEMLSA-N 1 0 332.532 4.371 20 10 EICDRO COc1ccc(N2CCC([NH2+]CCc3c(C)cccc3C)CC2)cc1 ZINC000812837654 1049603617 /nfs/dbraw/zinc/60/36/17/1049603617.db2.gz HYYHSBVKAVQXBV-UHFFFAOYSA-N 1 0 338.495 4.113 20 10 EICDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773141011 1049605324 /nfs/dbraw/zinc/60/53/24/1049605324.db2.gz YTJWEGOUDDLJMP-MRXNPFEDSA-N 1 0 328.504 4.299 20 10 EICDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773141006 1049605597 /nfs/dbraw/zinc/60/55/97/1049605597.db2.gz YTJWEGOUDDLJMP-INIZCTEOSA-N 1 0 328.504 4.299 20 10 EICDRO C[C@@H]([NH2+]CCCc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773144966 1049606846 /nfs/dbraw/zinc/60/68/46/1049606846.db2.gz GVQRHYLPESVLBA-OAHLLOKOSA-N 1 0 348.487 4.007 20 10 EICDRO C[C@H]([NH2+]CCCc1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773144964 1049608071 /nfs/dbraw/zinc/60/80/71/1049608071.db2.gz GVQRHYLPESVLBA-HNNXBMFYSA-N 1 0 348.487 4.007 20 10 EICDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773152661 1049616639 /nfs/dbraw/zinc/61/66/39/1049616639.db2.gz RVWZNPCIKQHUFO-SXGZJXTBSA-N 1 0 330.447 4.319 20 10 EICDRO CC(C)c1cc(NCc2cc3ccccc3cc2O)nc(N(C)C)[nH+]1 ZINC001171402841 1049624668 /nfs/dbraw/zinc/62/46/68/1049624668.db2.gz TUANQCNMAAOGSQ-UHFFFAOYSA-N 1 0 336.439 4.137 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773258079 1049676289 /nfs/dbraw/zinc/67/62/89/1049676289.db2.gz GQMIZDQYLTYMLL-JKSUJKDBSA-N 1 0 347.499 4.034 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773258076 1049677299 /nfs/dbraw/zinc/67/72/99/1049677299.db2.gz GQMIZDQYLTYMLL-HZPDHXFCSA-N 1 0 347.499 4.034 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1 ZINC001171545737 1049737291 /nfs/dbraw/zinc/73/72/91/1049737291.db2.gz DRZYUXFUCJIXSE-INIZCTEOSA-N 1 0 348.412 4.159 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000813331421 1049752906 /nfs/dbraw/zinc/75/29/06/1049752906.db2.gz ONYHGEWJAUAYES-CQSZACIVSA-N 1 0 327.424 4.040 20 10 EICDRO CCOCc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)ccc1OC ZINC000747853757 1049769838 /nfs/dbraw/zinc/76/98/38/1049769838.db2.gz GTJJBULAXASBDP-KSSFIOAISA-N 1 0 329.440 4.238 20 10 EICDRO Oc1ccccc1C[NH2+]C1(Cc2ccccc2Br)CC1 ZINC000813792528 1049817446 /nfs/dbraw/zinc/81/74/46/1049817446.db2.gz QWHPCHKNPZOYBT-UHFFFAOYSA-N 1 0 332.241 4.020 20 10 EICDRO Cc1ccoc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000813791038 1049817891 /nfs/dbraw/zinc/81/78/91/1049817891.db2.gz PCOGSIXFXYCPIF-UHFFFAOYSA-N 1 0 332.447 4.441 20 10 EICDRO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CS2 ZINC001172182991 1049859892 /nfs/dbraw/zinc/85/98/92/1049859892.db2.gz AVTGECWKQBMRJY-IBGZPJMESA-N 1 0 338.520 4.484 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(CCO)CCC2)cc1 ZINC000824002401 1049890157 /nfs/dbraw/zinc/89/01/57/1049890157.db2.gz MHZIFGRAMYVJHV-UHFFFAOYSA-N 1 0 344.524 4.027 20 10 EICDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824002277 1049890296 /nfs/dbraw/zinc/89/02/96/1049890296.db2.gz FTLIOKIGJKDNTO-FUHWJXTLSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000824074392 1049897493 /nfs/dbraw/zinc/89/74/93/1049897493.db2.gz URMLQODURXPFNK-AEFFLSMTSA-N 1 0 344.524 4.289 20 10 EICDRO COc1ccc(C[NH2+]CCCC2CCCCC2)cc1Cn1cccn1 ZINC001177249518 1050173114 /nfs/dbraw/zinc/17/31/14/1050173114.db2.gz AZSCEUJILJEFPB-UHFFFAOYSA-N 1 0 341.499 4.390 20 10 EICDRO CC(C)c1ccc(OCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001177411543 1050207820 /nfs/dbraw/zinc/20/78/20/1050207820.db2.gz HDUVSPPBFNHYNO-UHFFFAOYSA-N 1 0 348.437 4.323 20 10 EICDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001177464627 1050215823 /nfs/dbraw/zinc/21/58/23/1050215823.db2.gz SIMRMGAFYBZZJE-QPGLYAHGSA-N 1 0 338.495 4.440 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1C ZINC001177575369 1050257814 /nfs/dbraw/zinc/25/78/14/1050257814.db2.gz IGINREHEMXURJQ-UHFFFAOYSA-N 1 0 334.419 4.481 20 10 EICDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000069716543 1050313292 /nfs/dbraw/zinc/31/32/92/1050313292.db2.gz IUADUXRAYBNYCQ-DNVCBOLYSA-N 1 0 342.508 4.246 20 10 EICDRO COc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC001177860549 1050316323 /nfs/dbraw/zinc/31/63/23/1050316323.db2.gz XUQKQROECSGEAF-PKOBYXMFSA-N 1 0 341.499 4.246 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)cc1Cn1cccn1 ZINC001177949925 1050345117 /nfs/dbraw/zinc/34/51/17/1050345117.db2.gz UFEOYVFAWQMLML-LPHOPBHVSA-N 1 0 341.499 4.244 20 10 EICDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cc1O ZINC001173216023 1050350292 /nfs/dbraw/zinc/35/02/92/1050350292.db2.gz BLWMDFOUBRYDKF-CQSZACIVSA-N 1 0 336.391 4.174 20 10 EICDRO CS[C@H](C)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001178276469 1050426598 /nfs/dbraw/zinc/42/65/98/1050426598.db2.gz SSUJSYOXTADCAJ-MRXNPFEDSA-N 1 0 326.509 4.090 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC001178369659 1050446502 /nfs/dbraw/zinc/44/65/02/1050446502.db2.gz MWRLOQHFAVUXJD-IAGOWNOFSA-N 1 0 346.437 4.104 20 10 EICDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001178374210 1050447534 /nfs/dbraw/zinc/44/75/34/1050447534.db2.gz QUJHZNZFFXOSHF-AWEZNQCLSA-N 1 0 348.437 4.008 20 10 EICDRO CCSc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccn1 ZINC001178546516 1050498229 /nfs/dbraw/zinc/49/82/29/1050498229.db2.gz UPDOEFCNEMGHEN-UHFFFAOYSA-N 1 0 325.481 4.284 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1O ZINC000775128443 1050563821 /nfs/dbraw/zinc/56/38/21/1050563821.db2.gz CKLCCRLOYTVOGE-GFCCVEGCSA-N 1 0 325.330 4.184 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1O ZINC000775129965 1050576825 /nfs/dbraw/zinc/57/68/25/1050576825.db2.gz JDKPDRBTZXCBFC-MRXNPFEDSA-N 1 0 334.419 4.217 20 10 EICDRO CC[C@]1(C[NH2+]Cc2c(C)c3ccccc3n2C)OCCc2ccccc21 ZINC001178859840 1050579294 /nfs/dbraw/zinc/57/92/94/1050579294.db2.gz KLBFGTBOEAASPQ-HSZRJFAPSA-N 1 0 348.490 4.455 20 10 EICDRO CCCN(Cc1c[nH]nc1-c1ccc(C)cc1)c1ccc(C[NH3+])cc1 ZINC000775140972 1050608015 /nfs/dbraw/zinc/60/80/15/1050608015.db2.gz RTGJUBUSMCIXIG-UHFFFAOYSA-N 1 0 334.467 4.260 20 10 EICDRO CCN(C)c1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000773794696 1050620439 /nfs/dbraw/zinc/62/04/39/1050620439.db2.gz WIACKSUNYOQBHR-UHFFFAOYSA-N 1 0 329.513 4.467 20 10 EICDRO CNc1ccccc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC001179295736 1050663801 /nfs/dbraw/zinc/66/38/01/1050663801.db2.gz OXVWDHBFHVBBGT-UHFFFAOYSA-N 1 0 333.479 4.468 20 10 EICDRO CC(C)OC1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204243298 1050677952 /nfs/dbraw/zinc/67/79/52/1050677952.db2.gz VOIZDKRGKXWJDS-UHFFFAOYSA-N 1 0 326.484 4.295 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001179686353 1050747891 /nfs/dbraw/zinc/74/78/91/1050747891.db2.gz VYSWAOHTOOIPFT-INIZCTEOSA-N 1 0 339.439 4.088 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1F ZINC001179700035 1050751980 /nfs/dbraw/zinc/75/19/80/1050751980.db2.gz MKYPICRDBIRWGM-KRWDZBQOSA-N 1 0 334.479 4.253 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1F ZINC001179700036 1050752523 /nfs/dbraw/zinc/75/25/23/1050752523.db2.gz MKYPICRDBIRWGM-QGZVFWFLSA-N 1 0 334.479 4.253 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000780722473 1050797318 /nfs/dbraw/zinc/79/73/18/1050797318.db2.gz IVPZPUTUYKKSOX-MJGOQNOKSA-N 1 0 330.516 4.360 20 10 EICDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC001179937840 1050823429 /nfs/dbraw/zinc/82/34/29/1050823429.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 1 0 345.874 4.134 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@H](C)c3ccccc3)CC2)cc1F ZINC001179974703 1050837997 /nfs/dbraw/zinc/83/79/97/1050837997.db2.gz QGEWSRIMRGUKQE-KRWDZBQOSA-N 1 0 342.458 4.150 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC001180094115 1050866905 /nfs/dbraw/zinc/86/69/05/1050866905.db2.gz YVVSZQFHENVYJM-UHFFFAOYSA-N 1 0 342.508 4.139 20 10 EICDRO C[C@H](c1ccco1)[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC001180064710 1050872248 /nfs/dbraw/zinc/87/22/48/1050872248.db2.gz SKDFBUCTEZXOTR-LLVKDONJSA-N 1 0 336.229 4.473 20 10 EICDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001180076346 1050875661 /nfs/dbraw/zinc/87/56/61/1050875661.db2.gz FPZHWRRPAKCIGF-HNNXBMFYSA-N 1 0 346.268 4.219 20 10 EICDRO COC(=O)c1c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001180706988 1051067810 /nfs/dbraw/zinc/06/78/10/1051067810.db2.gz CPPIQCGACDQCNL-KCQAQPDRSA-N 1 0 346.446 4.018 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(N(C)C)cc1 ZINC000071307872 1051124898 /nfs/dbraw/zinc/12/48/98/1051124898.db2.gz DRDRFEVFBNQGPA-LLVKDONJSA-N 1 0 339.302 4.427 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1O ZINC000183447679 1051126549 /nfs/dbraw/zinc/12/65/49/1051126549.db2.gz SMGIFXRZQINPES-SNVBAGLBSA-N 1 0 326.259 4.110 20 10 EICDRO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000183595167 1051176544 /nfs/dbraw/zinc/17/65/44/1051176544.db2.gz AGVLLJFKRPIZSF-HUUCEWRRSA-N 1 0 331.481 4.480 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2SC)c1 ZINC001181543582 1051251620 /nfs/dbraw/zinc/25/16/20/1051251620.db2.gz GBDFFMRYJDJRHS-ZIAGYGMSSA-N 1 0 331.481 4.405 20 10 EICDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000773430317 1051259351 /nfs/dbraw/zinc/25/93/51/1051259351.db2.gz XUULWSDYYDFNKJ-HNNXBMFYSA-N 1 0 329.463 4.480 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000775410595 1051275388 /nfs/dbraw/zinc/27/53/88/1051275388.db2.gz AWAVEFMEXPNYFF-DOTOQJQBSA-N 1 0 339.357 4.185 20 10 EICDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000775416582 1051292043 /nfs/dbraw/zinc/29/20/43/1051292043.db2.gz HVDCZUJTCQSNJY-OXFYSEKESA-N 1 0 334.479 4.282 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccccc2)C2CC2)c1O ZINC001182043161 1051379018 /nfs/dbraw/zinc/37/90/18/1051379018.db2.gz GUGMOJKTSMRTQM-QGZVFWFLSA-N 1 0 331.843 4.338 20 10 EICDRO CCc1cccc(C[N@@H+]2CCc3cc(OC)c(Cl)cc3C2)c1O ZINC001182087493 1051383750 /nfs/dbraw/zinc/38/37/50/1051383750.db2.gz QNHVAXXXGUQNGS-UHFFFAOYSA-N 1 0 331.843 4.175 20 10 EICDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001182136747 1051402638 /nfs/dbraw/zinc/40/26/38/1051402638.db2.gz BVOVQYRSHITZHK-UHFFFAOYSA-N 1 0 329.827 4.102 20 10 EICDRO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774141972 1051492860 /nfs/dbraw/zinc/49/28/60/1051492860.db2.gz FNHYVHCSPITJJE-LLVKDONJSA-N 1 0 343.298 4.367 20 10 EICDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490226 1051573458 /nfs/dbraw/zinc/57/34/58/1051573458.db2.gz AIRBYUJCEYQYKC-WFASDCNBSA-N 1 0 345.314 4.472 20 10 EICDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)[C@H]1C ZINC001182452507 1051578800 /nfs/dbraw/zinc/57/88/00/1051578800.db2.gz OFYYEMKTNZJHGQ-IKGGRYGDSA-N 1 0 325.452 4.448 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1cc(Cl)ccc1O ZINC000775489804 1051580824 /nfs/dbraw/zinc/58/08/24/1051580824.db2.gz YAKHEMIEVRIRND-MRXNPFEDSA-N 1 0 334.847 4.469 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000775496229 1051600226 /nfs/dbraw/zinc/60/02/26/1051600226.db2.gz IABWOCJOMMTNQV-YOEHRIQHSA-N 1 0 327.424 4.183 20 10 EICDRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478215 1051607990 /nfs/dbraw/zinc/60/79/90/1051607990.db2.gz BQSPUAWRFZRWIU-IRXDYDNUSA-N 1 0 339.483 4.047 20 10 EICDRO Oc1ccccc1C[N@H+](CCCc1cccc(F)c1)C[C@H]1CCCO1 ZINC001192011431 1051612661 /nfs/dbraw/zinc/61/26/61/1051612661.db2.gz CASXMLPIFCJBSE-HXUWFJFHSA-N 1 0 343.442 4.145 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(Cl)cn3)CC2)cc1 ZINC000775499868 1051622239 /nfs/dbraw/zinc/62/22/39/1051622239.db2.gz GIGBWNJLVCKFQB-CQSZACIVSA-N 1 0 345.874 4.063 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1O ZINC000273776164 1051634657 /nfs/dbraw/zinc/63/46/57/1051634657.db2.gz RUWFQOBALFTQEE-VIFPVBQESA-N 1 0 327.758 4.183 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cc(Cl)ccc1O ZINC000775508552 1051639338 /nfs/dbraw/zinc/63/93/38/1051639338.db2.gz VQJQHGZCWGQILZ-DOTOQJQBSA-N 1 0 331.847 4.262 20 10 EICDRO CC[C@@H]([NH2+]CCNc1ccccc1)c1cc(Br)ccc1O ZINC000775513358 1051652731 /nfs/dbraw/zinc/65/27/31/1051652731.db2.gz XXYQIQBKINQVCB-MRXNPFEDSA-N 1 0 349.272 4.308 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1O ZINC000775521106 1051677880 /nfs/dbraw/zinc/67/78/80/1051677880.db2.gz QQRFZLGEBQTAAF-HKUYNNGSSA-N 1 0 331.843 4.400 20 10 EICDRO CC[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1O ZINC000775520353 1051696990 /nfs/dbraw/zinc/69/69/90/1051696990.db2.gz CLJFTOCEWCEINL-GOSISDBHSA-N 1 0 336.435 4.450 20 10 EICDRO CC[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1O ZINC000775520354 1051697245 /nfs/dbraw/zinc/69/72/45/1051697245.db2.gz CLJFTOCEWCEINL-SFHVURJKSA-N 1 0 336.435 4.450 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Cl)ccc1O ZINC000775523728 1051701254 /nfs/dbraw/zinc/70/12/54/1051701254.db2.gz MWBYFAYNQNWPNQ-GFCCVEGCSA-N 1 0 347.768 4.039 20 10 EICDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000775525163 1051706051 /nfs/dbraw/zinc/70/60/51/1051706051.db2.gz IYSWSWFRIQUDJI-AEFFLSMTSA-N 1 0 337.822 4.133 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccccc1O ZINC000775526330 1051712045 /nfs/dbraw/zinc/71/20/45/1051712045.db2.gz QSBMUJODRTXUDX-DCPHZVHLSA-N 1 0 329.440 4.218 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444687 1051733814 /nfs/dbraw/zinc/73/38/14/1051733814.db2.gz YJBXLMGOPUQMRG-KRWDZBQOSA-N 1 0 330.859 4.059 20 10 EICDRO Oc1c(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)ccc2ccccc21 ZINC001182911174 1051743539 /nfs/dbraw/zinc/74/35/39/1051743539.db2.gz VSBJRFIMEDTGBB-PMACEKPBSA-N 1 0 333.431 4.208 20 10 EICDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182999542 1051762116 /nfs/dbraw/zinc/76/21/16/1051762116.db2.gz IHIMYAJVDDAFSU-HNNXBMFYSA-N 1 0 346.641 4.176 20 10 EICDRO COc1cc(C[NH+]2CC(C)(c3ccccc3)C2)c(O)c(C(C)(C)C)c1 ZINC001183013109 1051763647 /nfs/dbraw/zinc/76/36/47/1051763647.db2.gz YOEZUWVCGHHQSB-UHFFFAOYSA-N 1 0 339.479 4.472 20 10 EICDRO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1O ZINC000775552895 1051832235 /nfs/dbraw/zinc/83/22/35/1051832235.db2.gz YKOYROVEXKJSFX-KGLIPLIRSA-N 1 0 339.769 4.498 20 10 EICDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775580492 1051885711 /nfs/dbraw/zinc/88/57/11/1051885711.db2.gz CHIOZNQTSOEEIH-HUUCEWRRSA-N 1 0 327.428 4.381 20 10 EICDRO CCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586112 1051993412 /nfs/dbraw/zinc/99/34/12/1051993412.db2.gz KXOBNDRNOYZJKA-UHFFFAOYSA-N 1 0 345.314 4.395 20 10 EICDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1O ZINC001184389207 1052002449 /nfs/dbraw/zinc/00/24/49/1052002449.db2.gz WJEOLBXNYJPHHB-XJKSGUPXSA-N 1 0 338.289 4.379 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCc3cc(C(C)C)ccc3C2)cc1OC ZINC001184418367 1052009143 /nfs/dbraw/zinc/00/91/43/1052009143.db2.gz NDJDGXZIJPHRTC-UHFFFAOYSA-N 1 0 341.451 4.091 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cn1cccn1 ZINC001177098600 1052230769 /nfs/dbraw/zinc/23/07/69/1052230769.db2.gz OAVFVSCUMDGJBI-SFHVURJKSA-N 1 0 349.478 4.051 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000184835940 1052246429 /nfs/dbraw/zinc/24/64/29/1052246429.db2.gz ZLKLXXZAGMTFOY-WBVHZDCISA-N 1 0 330.497 4.250 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cc1OC ZINC000184840345 1052247072 /nfs/dbraw/zinc/24/70/72/1052247072.db2.gz RKFZXOWBSICYKO-CQSZACIVSA-N 1 0 341.451 4.139 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C(C)C)cc1 ZINC000184901799 1052298145 /nfs/dbraw/zinc/29/81/45/1052298145.db2.gz NWLHHXNRMNBPNV-XOBRGWDASA-N 1 0 329.440 4.457 20 10 EICDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C)cc1O)O[C@H](C)C2 ZINC000184898019 1052298224 /nfs/dbraw/zinc/29/82/24/1052298224.db2.gz PDGCPFQMVBZLJC-HUUCEWRRSA-N 1 0 341.451 4.274 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC(F)F ZINC000184950255 1052330726 /nfs/dbraw/zinc/33/07/26/1052330726.db2.gz ZXRGXIPZMNHBKK-LBPRGKRZSA-N 1 0 337.366 4.161 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000185007847 1052360510 /nfs/dbraw/zinc/36/05/10/1052360510.db2.gz MJIRZPIUHPRFIA-KRWDZBQOSA-N 1 0 325.452 4.100 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185045491 1052378155 /nfs/dbraw/zinc/37/81/55/1052378155.db2.gz VYZLLOYFKIUKJT-HNNXBMFYSA-N 1 0 326.440 4.290 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185068076 1052392248 /nfs/dbraw/zinc/39/22/48/1052392248.db2.gz QMRSBWQMGKKFAE-OAHLLOKOSA-N 1 0 328.456 4.098 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2oc3ccc(F)cc3c2C)c1 ZINC000185138779 1052463631 /nfs/dbraw/zinc/46/36/31/1052463631.db2.gz MUMXWVRFXXKLMD-LBPRGKRZSA-N 1 0 329.371 4.445 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185165448 1052507185 /nfs/dbraw/zinc/50/71/85/1052507185.db2.gz KFVSCURWNGVGTO-MRXNPFEDSA-N 1 0 347.462 4.308 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000185312048 1052577256 /nfs/dbraw/zinc/57/72/56/1052577256.db2.gz SVKYDGGPZURYKR-INIZCTEOSA-N 1 0 340.467 4.029 20 10 EICDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1cccnc1 ZINC000185311786 1052577329 /nfs/dbraw/zinc/57/73/29/1052577329.db2.gz MMIFMSZIWNLAGV-OAQYLSRUSA-N 1 0 339.483 4.190 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c1 ZINC000185318488 1052580549 /nfs/dbraw/zinc/58/05/49/1052580549.db2.gz KDFSJGHVVDZGDV-ZDUSSCGKSA-N 1 0 346.496 4.020 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1O ZINC000185406976 1052595988 /nfs/dbraw/zinc/59/59/88/1052595988.db2.gz GFEWKQUMFINDER-RBZFPXEDSA-N 1 0 325.383 4.069 20 10 EICDRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185597340 1052654984 /nfs/dbraw/zinc/65/49/84/1052654984.db2.gz XRVALZLYCFLOMO-CYBMUJFWSA-N 1 0 325.424 4.084 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000119642273 1053081150 /nfs/dbraw/zinc/08/11/50/1053081150.db2.gz WEHJQZFRWDYNAS-KRWDZBQOSA-N 1 0 334.467 4.179 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(F)ccc2OC)c(O)c(C(C)(C)C)c1 ZINC000850254568 1053100461 /nfs/dbraw/zinc/10/04/61/1053100461.db2.gz IKXFQTLTWPZIER-UHFFFAOYSA-N 1 0 347.430 4.136 20 10 EICDRO COCc1csc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850377501 1053152936 /nfs/dbraw/zinc/15/29/36/1053152936.db2.gz IVRYLYOIBQYZII-UHFFFAOYSA-N 1 0 349.496 4.196 20 10 EICDRO CC(C)c1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406543 1053174146 /nfs/dbraw/zinc/17/41/46/1053174146.db2.gz KWBUECDXSHPRQQ-UHFFFAOYSA-N 1 0 338.495 4.061 20 10 EICDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000764590229 1053216089 /nfs/dbraw/zinc/21/60/89/1053216089.db2.gz MWTHGOFPYPFOGN-INIZCTEOSA-N 1 0 336.483 4.152 20 10 EICDRO COC1CC(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000850480640 1053251382 /nfs/dbraw/zinc/25/13/82/1053251382.db2.gz AYSRBTUVPAIZOU-GRERDSQWSA-N 1 0 339.479 4.471 20 10 EICDRO CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Cl)ccc1O ZINC000850485552 1053255700 /nfs/dbraw/zinc/25/57/00/1053255700.db2.gz KZZUGNSJJHEMIJ-LBPRGKRZSA-N 1 0 345.752 4.095 20 10 EICDRO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cc(Br)ccc1O ZINC000850483532 1053255965 /nfs/dbraw/zinc/25/59/65/1053255965.db2.gz YQEUNWFGONZCNB-ABIUDSBCSA-N 1 0 342.277 4.011 20 10 EICDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cscn2)c1O ZINC000850511376 1053269126 /nfs/dbraw/zinc/26/91/26/1053269126.db2.gz DCCNUXXVHQHKCL-ZJUUUORDSA-N 1 0 341.274 4.331 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000850520710 1053276974 /nfs/dbraw/zinc/27/69/74/1053276974.db2.gz GOPAKSKUPQAWDU-PKOBYXMFSA-N 1 0 347.405 4.080 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1 ZINC000764755708 1053298688 /nfs/dbraw/zinc/29/86/88/1053298688.db2.gz VWSVIRYTTSPOPF-DNVCBOLYSA-N 1 0 331.529 4.158 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1O ZINC000850537626 1053301569 /nfs/dbraw/zinc/30/15/69/1053301569.db2.gz WESCVOONCDFRFT-ZANVPECISA-N 1 0 334.204 4.159 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000850555143 1053308597 /nfs/dbraw/zinc/30/85/97/1053308597.db2.gz GFAPAORJBGWUMV-DIFFPNOSSA-N 1 0 340.250 4.392 20 10 EICDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553943 1053308979 /nfs/dbraw/zinc/30/89/79/1053308979.db2.gz FIYRGNQUKLCFQC-ORYQWCPZSA-N 1 0 326.484 4.161 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554949 1053309439 /nfs/dbraw/zinc/30/94/39/1053309439.db2.gz IQDASXJEOKVVGX-GOEBONIOSA-N 1 0 338.234 4.010 20 10 EICDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000850555217 1053311847 /nfs/dbraw/zinc/31/18/47/1053311847.db2.gz NQPQGBRNFQLZRT-BKTGTZMESA-N 1 0 333.859 4.454 20 10 EICDRO CC(C)[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764805584 1053317681 /nfs/dbraw/zinc/31/76/81/1053317681.db2.gz GHVCYWGTNSGTHA-QGZVFWFLSA-N 1 0 335.511 4.197 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000850566132 1053320561 /nfs/dbraw/zinc/32/05/61/1053320561.db2.gz JVEIGHMCDFGKEO-HNNXBMFYSA-N 1 0 344.886 4.152 20 10 EICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000850567363 1053322741 /nfs/dbraw/zinc/32/27/41/1053322741.db2.gz AUBWJNWLAMAQKI-OAQYLSRUSA-N 1 0 330.516 4.096 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)cc1 ZINC000764818527 1053324875 /nfs/dbraw/zinc/32/48/75/1053324875.db2.gz MKNLBSWVLAAXDB-SFHVURJKSA-N 1 0 348.494 4.222 20 10 EICDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000850572097 1053326383 /nfs/dbraw/zinc/32/63/83/1053326383.db2.gz AJZQVVRNYFHZGH-XFQAVAEZSA-N 1 0 335.447 4.361 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)c1nccn1C ZINC000850572494 1053327834 /nfs/dbraw/zinc/32/78/34/1053327834.db2.gz KSCGLTNKRLJNKO-IAGOWNOFSA-N 1 0 326.488 4.212 20 10 EICDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)cs1 ZINC000764826313 1053328500 /nfs/dbraw/zinc/32/85/00/1053328500.db2.gz CNLBTJSGQGPYAZ-CQSZACIVSA-N 1 0 347.503 4.474 20 10 EICDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000775650404 1053368222 /nfs/dbraw/zinc/36/82/22/1053368222.db2.gz BSWADOBMNDWACB-MRXNPFEDSA-N 1 0 347.256 4.195 20 10 EICDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)c1 ZINC000794796428 1053379441 /nfs/dbraw/zinc/37/94/41/1053379441.db2.gz KMROFSASWWXJGG-IBGZPJMESA-N 1 0 340.467 4.081 20 10 EICDRO CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C)cc1O ZINC000794795164 1053380254 /nfs/dbraw/zinc/38/02/54/1053380254.db2.gz HDAPFABTORLUCS-HXUWFJFHSA-N 1 0 339.479 4.490 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C)cc1O ZINC000794798682 1053385109 /nfs/dbraw/zinc/38/51/09/1053385109.db2.gz YOPGTOVMFCJEMX-SFHVURJKSA-N 1 0 327.472 4.183 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794791924 1053386630 /nfs/dbraw/zinc/38/66/30/1053386630.db2.gz COQGXZUBASGBRS-KRWDZBQOSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794794387 1053387745 /nfs/dbraw/zinc/38/77/45/1053387745.db2.gz MXHLITCALIKGGI-YOEHRIQHSA-N 1 0 327.424 4.274 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C(C)C)c1O ZINC000764978318 1053394486 /nfs/dbraw/zinc/39/44/86/1053394486.db2.gz WHHGXSCENNHKSQ-XLIONFOSSA-N 1 0 325.452 4.450 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1O ZINC000794807021 1053401517 /nfs/dbraw/zinc/40/15/17/1053401517.db2.gz JFEVQCHOQPFVJY-JXFKEZNVSA-N 1 0 340.467 4.029 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1O ZINC000794807801 1053414972 /nfs/dbraw/zinc/41/49/72/1053414972.db2.gz LSZIZVQMCRHNPB-QZTJIDSGSA-N 1 0 348.437 4.322 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1O ZINC000794811409 1053415797 /nfs/dbraw/zinc/41/57/97/1053415797.db2.gz QZASKXFBCOGZEV-MOPGFXCFSA-N 1 0 341.451 4.436 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccc(C)cc1O ZINC000794815215 1053421965 /nfs/dbraw/zinc/42/19/65/1053421965.db2.gz GPURKSOVIVQVNZ-IBGZPJMESA-N 1 0 339.483 4.245 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1O ZINC000794815270 1053422329 /nfs/dbraw/zinc/42/23/29/1053422329.db2.gz JPQRSLNPLUXAOW-FUHWJXTLSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812350 1053428237 /nfs/dbraw/zinc/42/82/37/1053428237.db2.gz WCOIGSOCNZFLIC-MDASCCDHSA-N 1 0 331.431 4.393 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1O ZINC000794816985 1053429981 /nfs/dbraw/zinc/42/99/81/1053429981.db2.gz SGXCOFMXQBDNIF-MOPGFXCFSA-N 1 0 344.499 4.065 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000794826395 1053430575 /nfs/dbraw/zinc/43/05/75/1053430575.db2.gz RPGKHVFJSDXWDK-AEFFLSMTSA-N 1 0 343.467 4.089 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1O ZINC000794820222 1053435504 /nfs/dbraw/zinc/43/55/04/1053435504.db2.gz ZFUFMIXCZDVWMP-RDJZCZTQSA-N 1 0 337.822 4.267 20 10 EICDRO COc1ccc(O)c(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000775663748 1053436185 /nfs/dbraw/zinc/43/61/85/1053436185.db2.gz OSWYCMJICQEYGV-UHFFFAOYSA-N 1 0 336.435 4.262 20 10 EICDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000794823583 1053438025 /nfs/dbraw/zinc/43/80/25/1053438025.db2.gz FVWUGRKPKDPBTC-QAPCUYQASA-N 1 0 331.431 4.220 20 10 EICDRO CC[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C)cc1O ZINC000794829731 1053441845 /nfs/dbraw/zinc/44/18/45/1053441845.db2.gz WOLPSNATBWOYTN-CEWLAPEOSA-N 1 0 327.468 4.500 20 10 EICDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000121408402 1053459701 /nfs/dbraw/zinc/45/97/01/1053459701.db2.gz DBUPCHCUFZHWOW-GGPKGHCWSA-N 1 0 330.516 4.269 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000765278260 1053487374 /nfs/dbraw/zinc/48/73/74/1053487374.db2.gz CGGYOMFSZQWPFS-LJQANCHMSA-N 1 0 326.488 4.203 20 10 EICDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765422812 1053540172 /nfs/dbraw/zinc/54/01/72/1053540172.db2.gz CPYQEEULAMLDKI-GJZGRUSLSA-N 1 0 344.421 4.295 20 10 EICDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765422810 1053542084 /nfs/dbraw/zinc/54/20/84/1053542084.db2.gz CPYQEEULAMLDKI-CABCVRRESA-N 1 0 344.421 4.295 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)c2ccccc2OC)ccc1OC ZINC000865820728 1053598199 /nfs/dbraw/zinc/59/81/99/1053598199.db2.gz BWSWQBPUNSXYGG-OAHLLOKOSA-N 1 0 329.440 4.091 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000775710462 1053642314 /nfs/dbraw/zinc/64/23/14/1053642314.db2.gz KVLHUHDQWZXUDL-LIRRHRJNSA-N 1 0 329.465 4.079 20 10 EICDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001196394243 1053657037 /nfs/dbraw/zinc/65/70/37/1053657037.db2.gz WBAKHEWCECSFIY-KRWDZBQOSA-N 1 0 330.422 4.410 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1O ZINC000853241244 1053657727 /nfs/dbraw/zinc/65/77/27/1053657727.db2.gz KKSVJDKVCUCHKT-KBPBESRZSA-N 1 0 327.424 4.138 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240516 1053658008 /nfs/dbraw/zinc/65/80/08/1053658008.db2.gz HNPRCAABKFDQTD-MAUKXSAKSA-N 1 0 333.435 4.224 20 10 EICDRO Cc1cc(C[NH+]2CCC(c3ccon3)CC2)c(O)c(C(C)(C)C)c1 ZINC000853594405 1053689513 /nfs/dbraw/zinc/68/95/13/1053689513.db2.gz UZXFXCDLYOQESQ-UHFFFAOYSA-N 1 0 328.456 4.366 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000866406696 1053717289 /nfs/dbraw/zinc/71/72/89/1053717289.db2.gz GNECBACLJLEQRD-WBMJQRKESA-N 1 0 339.357 4.104 20 10 EICDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1O ZINC000866409634 1053720067 /nfs/dbraw/zinc/72/00/67/1053720067.db2.gz PIERJMVODPBNGM-HWPZZCPQSA-N 1 0 341.785 4.098 20 10 EICDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)s1 ZINC000866455223 1053739046 /nfs/dbraw/zinc/73/90/46/1053739046.db2.gz KDJAIRYTMZHKGQ-DTWKUNHWSA-N 1 0 341.274 4.331 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(C(F)(F)F)cc1O ZINC000866475342 1053742119 /nfs/dbraw/zinc/74/21/19/1053742119.db2.gz XBFJICYMMXZEAR-CYBMUJFWSA-N 1 0 328.309 4.186 20 10 EICDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc2ccccc2c1O ZINC000866478140 1053742174 /nfs/dbraw/zinc/74/21/74/1053742174.db2.gz FGZGYUSRDVEBPE-HNNXBMFYSA-N 1 0 333.431 4.469 20 10 EICDRO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866474419 1053743765 /nfs/dbraw/zinc/74/37/65/1053743765.db2.gz OQJLDAHCLKMEST-CQSZACIVSA-N 1 0 331.410 4.201 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1O ZINC000866478927 1053745733 /nfs/dbraw/zinc/74/57/33/1053745733.db2.gz MRIPNFGBZOZMEW-GOSISDBHSA-N 1 0 331.843 4.359 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1OC ZINC000866506977 1053755009 /nfs/dbraw/zinc/75/50/09/1053755009.db2.gz AFXZZVQBBVEHLP-HZPDHXFCSA-N 1 0 327.424 4.138 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2noc3ccc(F)cc32)c2c1c(F)ccc2O ZINC000866512356 1053761148 /nfs/dbraw/zinc/76/11/48/1053761148.db2.gz YLYMBRHQIMOPKB-ZANVPECISA-N 1 0 330.334 4.150 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000866569508 1053790810 /nfs/dbraw/zinc/79/08/10/1053790810.db2.gz WMLBCBNDEMYBTL-ZDUSSCGKSA-N 1 0 348.288 4.151 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000765641340 1053827730 /nfs/dbraw/zinc/82/77/30/1053827730.db2.gz GABHUKMFTFOOTO-ZDUSSCGKSA-N 1 0 348.874 4.274 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001197104600 1053837153 /nfs/dbraw/zinc/83/71/53/1053837153.db2.gz ILQIPXGCUBUALG-QZTJIDSGSA-N 1 0 346.515 4.042 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000796724035 1053841180 /nfs/dbraw/zinc/84/11/80/1053841180.db2.gz HWBAUIJEGQTWBI-YSIASYRMSA-N 1 0 329.415 4.492 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c1 ZINC000776806752 1053906973 /nfs/dbraw/zinc/90/69/73/1053906973.db2.gz AKGDEBZEPMTXMW-LBPRGKRZSA-N 1 0 328.437 4.251 20 10 EICDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000122916748 1054059534 /nfs/dbraw/zinc/05/95/34/1054059534.db2.gz VVOMIOIIHOCEHC-CYBMUJFWSA-N 1 0 329.513 4.247 20 10 EICDRO COc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3)s2)c1 ZINC000114505752 1054095452 /nfs/dbraw/zinc/09/54/52/1054095452.db2.gz ZNGVAQHZHUUCEA-UHFFFAOYSA-N 1 0 325.433 4.419 20 10 EICDRO CCCc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000856767274 1054105191 /nfs/dbraw/zinc/10/51/91/1054105191.db2.gz KXOYZIWBQINKBR-MRXNPFEDSA-N 1 0 344.524 4.388 20 10 EICDRO CCOc1cncc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000856769147 1054105270 /nfs/dbraw/zinc/10/52/70/1054105270.db2.gz IEHRUJDAKFCVNC-UHFFFAOYSA-N 1 0 339.483 4.006 20 10 EICDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000775835079 1054114900 /nfs/dbraw/zinc/11/49/00/1054114900.db2.gz DVUVVDZGXOCINQ-MRXNPFEDSA-N 1 0 347.462 4.195 20 10 EICDRO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N(C)C)cc1 ZINC000775833896 1054122496 /nfs/dbraw/zinc/12/24/96/1054122496.db2.gz HGGYZTGULBVRIC-CYBMUJFWSA-N 1 0 344.409 4.348 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCc2ccc(OC(C)C)cc2)c(Cl)c1 ZINC001199021090 1054320773 /nfs/dbraw/zinc/32/07/73/1054320773.db2.gz BUHSZVSYWGWLKR-UHFFFAOYSA-N 1 0 333.859 4.474 20 10 EICDRO COc1cc(C[NH2+]CCOc2cccc(C)c2)c(O)c(C(C)(C)C)c1 ZINC001198990394 1054322318 /nfs/dbraw/zinc/32/23/18/1054322318.db2.gz INQFAYHUDZUPHN-UHFFFAOYSA-N 1 0 343.467 4.175 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)CC2 ZINC000872117758 1054398710 /nfs/dbraw/zinc/39/87/10/1054398710.db2.gz VEMVLARYYPGNMC-LBPRGKRZSA-N 1 0 342.748 4.237 20 10 EICDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001199376837 1054401188 /nfs/dbraw/zinc/40/11/88/1054401188.db2.gz QJIYBQLMKVYCCL-YLJYHZDGSA-N 1 0 330.541 4.322 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)cc1 ZINC001199403675 1054406758 /nfs/dbraw/zinc/40/67/58/1054406758.db2.gz YNNIHGGGDUZXRS-UHFFFAOYSA-N 1 0 340.515 4.214 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(C(F)(F)F)cc1O ZINC000872133119 1054407993 /nfs/dbraw/zinc/40/79/93/1054407993.db2.gz KKJYXALEDUQURA-SMDDNHRTSA-N 1 0 339.361 4.311 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000872131445 1054408175 /nfs/dbraw/zinc/40/81/75/1054408175.db2.gz UNTGOPPTKPZRKG-QWRGUYRKSA-N 1 0 340.345 4.226 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000858090278 1054414712 /nfs/dbraw/zinc/41/47/12/1054414712.db2.gz KLIRNSRRQBHUQO-HNNXBMFYSA-N 1 0 338.270 4.457 20 10 EICDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCOc3ccccc32)cc1F ZINC000858118860 1054421812 /nfs/dbraw/zinc/42/18/12/1054421812.db2.gz INKDBBUULVENKK-QGZVFWFLSA-N 1 0 332.394 4.034 20 10 EICDRO FC(F)(F)c1sccc1C[NH2+]CCCSc1nccs1 ZINC000858141474 1054423692 /nfs/dbraw/zinc/42/36/92/1054423692.db2.gz OSXBIHLUNRPEMC-UHFFFAOYSA-N 1 0 338.445 4.495 20 10 EICDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775995224 1054434698 /nfs/dbraw/zinc/43/46/98/1054434698.db2.gz QEOUIYZYIXRPKZ-GOSISDBHSA-N 1 0 326.440 4.085 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)COc2cccc(F)c2)cc1C ZINC001199658575 1054439198 /nfs/dbraw/zinc/43/91/98/1054439198.db2.gz QIQZTKVPPXJQJE-MRXNPFEDSA-N 1 0 331.431 4.480 20 10 EICDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)c(O)c(C(C)(C)C)c1 ZINC000858239945 1054445851 /nfs/dbraw/zinc/44/58/51/1054445851.db2.gz WSOQFLBYFKMDCY-UHFFFAOYSA-N 1 0 329.440 4.002 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000776013722 1054447453 /nfs/dbraw/zinc/44/74/53/1054447453.db2.gz NWWJCVBDHIDETN-SKDRFNHKSA-N 1 0 337.769 4.217 20 10 EICDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001199732424 1054456695 /nfs/dbraw/zinc/45/66/95/1054456695.db2.gz JNEBIPUCIOGBHQ-UYAOXDASSA-N 1 0 330.516 4.218 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c1O ZINC000858330304 1054465696 /nfs/dbraw/zinc/46/56/96/1054465696.db2.gz OEVTYJQTQKIOMJ-UHFFFAOYSA-N 1 0 339.357 4.186 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1C ZINC000873090033 1054484736 /nfs/dbraw/zinc/48/47/36/1054484736.db2.gz MNYDFISHPNFCNI-SFHVURJKSA-N 1 0 349.540 4.318 20 10 EICDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858445519 1054490636 /nfs/dbraw/zinc/49/06/36/1054490636.db2.gz MEVSUHPGSZKRGS-SJORKVTESA-N 1 0 334.479 4.283 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCOC1 ZINC000858445541 1054492829 /nfs/dbraw/zinc/49/28/29/1054492829.db2.gz MQHDNBIDEHISNZ-TZIWHRDSSA-N 1 0 339.479 4.472 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c1O ZINC000858506320 1054505001 /nfs/dbraw/zinc/50/50/01/1054505001.db2.gz AGFLSIZXKBAOKQ-BRWVUGGUSA-N 1 0 335.488 4.425 20 10 EICDRO COc1ccccc1C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001199971650 1054506290 /nfs/dbraw/zinc/50/62/90/1054506290.db2.gz CIMUYZNEAKEIJX-UHFFFAOYSA-N 1 0 336.479 4.117 20 10 EICDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858519322 1054507247 /nfs/dbraw/zinc/50/72/47/1054507247.db2.gz ZOCIGLWXJGOCMT-HNNXBMFYSA-N 1 0 327.447 4.370 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccns1 ZINC000858576203 1054522608 /nfs/dbraw/zinc/52/26/08/1054522608.db2.gz JEBYVVWMNPYOST-RKDXNWHRSA-N 1 0 327.247 4.023 20 10 EICDRO C[C@@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000858574438 1054522796 /nfs/dbraw/zinc/52/27/96/1054522796.db2.gz KRVWZXIGDAFGFJ-BDJLRTHQSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000858604650 1054534361 /nfs/dbraw/zinc/53/43/61/1054534361.db2.gz NNESDINHQONMOO-CTNGQTDRSA-N 1 0 339.483 4.348 20 10 EICDRO CCC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC001200942365 1054599273 /nfs/dbraw/zinc/59/92/73/1054599273.db2.gz OWKBPLNWVRRIBR-UHFFFAOYSA-N 1 0 331.460 4.255 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2-n2ccc(C)n2)cc1 ZINC001201388374 1054786414 /nfs/dbraw/zinc/78/64/14/1054786414.db2.gz INFPXZVNDMFCFF-UHFFFAOYSA-N 1 0 348.494 4.317 20 10 EICDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1C ZINC001201703152 1054882760 /nfs/dbraw/zinc/88/27/60/1054882760.db2.gz FHICXNALSVCCRE-HNNXBMFYSA-N 1 0 348.849 4.165 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1O ZINC000776218927 1054925450 /nfs/dbraw/zinc/92/54/50/1054925450.db2.gz CSSATXLTDBAKQH-DIFFPNOSSA-N 1 0 340.250 4.219 20 10 EICDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC001201920786 1054951393 /nfs/dbraw/zinc/95/13/93/1054951393.db2.gz UAJJWYUHYDNSDG-HNNXBMFYSA-N 1 0 329.513 4.335 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1 ZINC001201954333 1054965293 /nfs/dbraw/zinc/96/52/93/1054965293.db2.gz MEPCWJLLKJOPDP-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000126365176 1055028768 /nfs/dbraw/zinc/02/87/68/1055028768.db2.gz QVDSNQFSARAKST-HNNXBMFYSA-N 1 0 343.446 4.070 20 10 EICDRO C[N@H+](Cc1ccccc1O)Cc1cccc(F)c1OCC(F)(F)F ZINC000862228041 1055031685 /nfs/dbraw/zinc/03/16/85/1055031685.db2.gz LESMSPHHEYWZBX-UHFFFAOYSA-N 1 0 343.320 4.104 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000862276969 1055043714 /nfs/dbraw/zinc/04/37/14/1055043714.db2.gz KCSYBWZPIHEADI-UHFFFAOYSA-N 1 0 325.456 4.078 20 10 EICDRO Cc1c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccnc1F ZINC000862277405 1055044129 /nfs/dbraw/zinc/04/41/29/1055044129.db2.gz YOUQGVKZHPSHKW-UHFFFAOYSA-N 1 0 327.447 4.055 20 10 EICDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336612 1055044324 /nfs/dbraw/zinc/04/43/24/1055044324.db2.gz LCBOETKVNHNHCW-YLJYHZDGSA-N 1 0 329.415 4.192 20 10 EICDRO Cc1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c(O)c1 ZINC000877498202 1055066348 /nfs/dbraw/zinc/06/63/48/1055066348.db2.gz NOQHOGSJOYSZLX-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000877516856 1055067849 /nfs/dbraw/zinc/06/78/49/1055067849.db2.gz FJFZKZAZIJTVRR-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1C ZINC000877551161 1055078967 /nfs/dbraw/zinc/07/89/67/1055078967.db2.gz TWLVPEONSMZWGS-HXUWFJFHSA-N 1 0 342.483 4.028 20 10 EICDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1C ZINC000118962538 1055084670 /nfs/dbraw/zinc/08/46/70/1055084670.db2.gz ZWHPSPSRFPEPGH-NRFANRHFSA-N 1 0 343.442 4.094 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000118960667 1055084918 /nfs/dbraw/zinc/08/49/18/1055084918.db2.gz HGOXFXZXARFYDC-LJQANCHMSA-N 1 0 328.456 4.011 20 10 EICDRO Oc1ccccc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001203555812 1055099014 /nfs/dbraw/zinc/09/90/14/1055099014.db2.gz GRNKNRGZNAPWEA-RBBKRZOGSA-N 1 0 337.463 4.004 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(Br)c1 ZINC000877755982 1055114798 /nfs/dbraw/zinc/11/47/98/1055114798.db2.gz WKBBXOCSLHNYJA-LLVKDONJSA-N 1 0 336.229 4.014 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000119317895 1055154153 /nfs/dbraw/zinc/15/41/53/1055154153.db2.gz BLPTUUZTTWIROY-DOTOQJQBSA-N 1 0 334.479 4.424 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000780745992 1055209307 /nfs/dbraw/zinc/20/93/07/1055209307.db2.gz KXHNMYIJSOUPBV-BQFCYCMXSA-N 1 0 334.479 4.282 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186248270 1055278508 /nfs/dbraw/zinc/27/85/08/1055278508.db2.gz SQWWJAYHRSJWBL-UHFFFAOYSA-N 1 0 340.467 4.030 20 10 EICDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N(C)C1CC1 ZINC000765804591 1055387560 /nfs/dbraw/zinc/38/75/60/1055387560.db2.gz KUTZXGRYZOZEOQ-QZTJIDSGSA-N 1 0 329.532 4.200 20 10 EICDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC(C)C ZINC000186381457 1055417857 /nfs/dbraw/zinc/41/78/57/1055417857.db2.gz ASVMNQGXJZTGLB-XOBRGWDASA-N 1 0 347.430 4.357 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000765882042 1056055048 /nfs/dbraw/zinc/05/50/48/1056055048.db2.gz QFAAQNLIHDQYRH-KSFYIVLOSA-N 1 0 334.463 4.290 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000742384037 1058584847 /nfs/dbraw/zinc/58/48/47/1058584847.db2.gz ZIHQNXLDNFRRSG-HNNXBMFYSA-N 1 0 337.250 4.283 20 10 EICDRO CCc1cnc(CC[NH2+]Cc2ccc(N(CC)CC)c(F)c2)s1 ZINC000742385223 1058587968 /nfs/dbraw/zinc/58/79/68/1058587968.db2.gz SYMLMURRKHGRDW-UHFFFAOYSA-N 1 0 335.492 4.023 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccccc1Cl ZINC000742379227 1058604948 /nfs/dbraw/zinc/60/49/48/1058604948.db2.gz OCKQICJUQGDLMS-ZDUSSCGKSA-N 1 0 336.838 4.102 20 10 EICDRO CC(C)[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(N(C)C)cc1 ZINC000743841450 1059136918 /nfs/dbraw/zinc/13/69/18/1059136918.db2.gz MMXZFYICZGQDIT-UHFFFAOYSA-N 1 0 338.495 4.141 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000379641502 1059709043 /nfs/dbraw/zinc/70/90/43/1059709043.db2.gz DABPEDHBYNHZSV-NSISKUIASA-N 1 0 336.479 4.022 20 10 EICDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ccc1Br ZINC000746054107 1059995067 /nfs/dbraw/zinc/99/50/67/1059995067.db2.gz XQPXUQPVCIJTOF-UHFFFAOYSA-N 1 0 347.300 4.422 20 10 EICDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766340021 1060093007 /nfs/dbraw/zinc/09/30/07/1060093007.db2.gz OOSRXDFNCZIWBI-DLBZAZTESA-N 1 0 336.495 4.265 20 10 EICDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401594 1060328895 /nfs/dbraw/zinc/32/88/95/1060328895.db2.gz SVEVOCAFTOYRQM-AVRDEDQJSA-N 1 0 338.495 4.370 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(C)c1)c1ccccc1 ZINC001168811574 1060413423 /nfs/dbraw/zinc/41/34/23/1060413423.db2.gz AIYYCNQTUHOSQV-NRFANRHFSA-N 1 0 338.495 4.463 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766538953 1060513801 /nfs/dbraw/zinc/51/38/01/1060513801.db2.gz RHYPYEIOAUMUPK-WSTZPKSXSA-N 1 0 341.543 4.343 20 10 EICDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000766584909 1060641654 /nfs/dbraw/zinc/64/16/54/1060641654.db2.gz OYOYQYKVIZVKHQ-SPEDKVCISA-N 1 0 341.543 4.200 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(N2CCCCCC2)cc1 ZINC000766606465 1060675857 /nfs/dbraw/zinc/67/58/57/1060675857.db2.gz ARYULQIPSMEUQP-MRXNPFEDSA-N 1 0 327.447 4.452 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1N(C)C ZINC001169506696 1060838513 /nfs/dbraw/zinc/83/85/13/1060838513.db2.gz CJTQSEADEJWJSI-JOCHJYFZSA-N 1 0 336.479 4.083 20 10 EICDRO Cc1ccc(C)n1-c1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001169592320 1060865341 /nfs/dbraw/zinc/86/53/41/1060865341.db2.gz MSTLKEUWKFGYFR-UHFFFAOYSA-N 1 0 332.451 4.032 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018369 213189671 /nfs/dbraw/zinc/18/96/71/213189671.db2.gz KPAVHTANRLPDLG-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729680991 1032139465 /nfs/dbraw/zinc/13/94/65/1032139465.db2.gz LTEXRFFXWZWXDW-INIZCTEOSA-N 1 0 333.431 4.486 20 10 EICDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000841759542 1032550116 /nfs/dbraw/zinc/55/01/16/1032550116.db2.gz ZOFVOXLRSAVAED-PXAZEXFGSA-N 1 0 336.838 4.138 20 10 EICDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759538 1032550259 /nfs/dbraw/zinc/55/02/59/1032550259.db2.gz ZMRPQLXZSMYAMU-GXSJLCMTSA-N 1 0 325.758 4.054 20 10 EICDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000120414725 1019528690 /nfs/dbraw/zinc/52/86/90/1019528690.db2.gz WUHQQKQSCANAIY-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(F)cc1[O-] ZINC000796709203 1019770061 /nfs/dbraw/zinc/77/00/61/1019770061.db2.gz LBGAPDXEECPXEG-OAHLLOKOSA-N 1 0 327.403 4.081 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1O ZINC000154966376 1020147734 /nfs/dbraw/zinc/14/77/34/1020147734.db2.gz ANQQTVJZISTUDP-NRFANRHFSA-N 1 0 349.478 4.495 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccccc1O ZINC000154978084 1020163533 /nfs/dbraw/zinc/16/35/33/1020163533.db2.gz SKJJXMNKAKQKMS-GOSISDBHSA-N 1 0 326.440 4.228 20 10 EICDRO CC(C)Oc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167107453 1020185340 /nfs/dbraw/zinc/18/53/40/1020185340.db2.gz DNJOZTWAMFVMJG-UHFFFAOYSA-N 1 0 339.483 4.099 20 10 EICDRO COc1cccc(CCC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167108062 1020185389 /nfs/dbraw/zinc/18/53/89/1020185389.db2.gz MALHFVFTCVGNBT-UHFFFAOYSA-N 1 0 338.495 4.358 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1C ZINC000275322070 1020419047 /nfs/dbraw/zinc/41/90/47/1020419047.db2.gz LFDRVDLQBDYIQP-CYBMUJFWSA-N 1 0 343.858 4.400 20 10 EICDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000728301882 1022250845 /nfs/dbraw/zinc/25/08/45/1022250845.db2.gz PMZQJHLOLUYBIM-PKOBYXMFSA-N 1 0 334.479 4.111 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000163895746 1022420531 /nfs/dbraw/zinc/42/05/31/1022420531.db2.gz OBEOXUMCFHFGLW-SJORKVTESA-N 1 0 326.488 4.212 20 10 EICDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccoc1 ZINC000378167292 1022460172 /nfs/dbraw/zinc/46/01/72/1022460172.db2.gz HQHKPQOTGDCMOT-CYBMUJFWSA-N 1 0 336.382 4.201 20 10 EICDRO CC1=Cc2cccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2C1 ZINC001167434065 1022489576 /nfs/dbraw/zinc/48/95/76/1022489576.db2.gz ADCDNVJIRANXAT-UHFFFAOYSA-N 1 0 333.479 4.010 20 10 EICDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000180529884 1022507591 /nfs/dbraw/zinc/50/75/91/1022507591.db2.gz WVUKEHHVYLLTAZ-HNNXBMFYSA-N 1 0 329.465 4.015 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)cc(F)c1[O-] ZINC000756379426 1022550554 /nfs/dbraw/zinc/55/05/54/1022550554.db2.gz NIUXKYHARHDTPX-VHSXEESVSA-N 1 0 342.208 4.169 20 10 EICDRO CSc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC001167437123 1022634295 /nfs/dbraw/zinc/63/42/95/1022634295.db2.gz LWJLLMYICUZQSC-UHFFFAOYSA-N 1 0 341.524 4.081 20 10 EICDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC000180422813 1022653699 /nfs/dbraw/zinc/65/36/99/1022653699.db2.gz XHKAATGPEYYCII-JTQLQIEISA-N 1 0 348.786 4.007 20 10 EICDRO C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000378406736 1022808389 /nfs/dbraw/zinc/80/83/89/1022808389.db2.gz VEWKGTSXXJLWRT-INIZCTEOSA-N 1 0 334.467 4.004 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855260 1022857030 /nfs/dbraw/zinc/85/70/30/1022857030.db2.gz NIAFUAAPEIKGLW-JXFKEZNVSA-N 1 0 335.451 4.183 20 10 EICDRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1O ZINC000183447659 1022864436 /nfs/dbraw/zinc/86/44/36/1022864436.db2.gz SMGIFXRZQINPES-JTQLQIEISA-N 1 0 326.259 4.110 20 10 EICDRO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cc(F)ccc1O ZINC000184919902 1022971236 /nfs/dbraw/zinc/97/12/36/1022971236.db2.gz JPUXBIQFNPVLSP-BEFAXECRSA-N 1 0 328.431 4.019 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208056 1023001352 /nfs/dbraw/zinc/00/13/52/1023001352.db2.gz NSJWNWNQGQRNPL-FUHWJXTLSA-N 1 0 342.458 4.094 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c(O)c1 ZINC000185318532 1023033247 /nfs/dbraw/zinc/03/32/47/1023033247.db2.gz XUIWMRNRCHZWJS-CQSZACIVSA-N 1 0 330.497 4.319 20 10 EICDRO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000181492153 1023222895 /nfs/dbraw/zinc/22/28/95/1023222895.db2.gz HCWSIBSQPZYACU-KRWDZBQOSA-N 1 0 341.474 4.494 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000364348816 1023657879 /nfs/dbraw/zinc/65/78/79/1023657879.db2.gz VAXLWORGQMGNES-WMLDXEAASA-N 1 0 337.423 4.114 20 10 EICDRO CC[C@H](c1ccccc1O)[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000377706340 1023699431 /nfs/dbraw/zinc/69/94/31/1023699431.db2.gz YVCDKXHHWBDNGP-CYBMUJFWSA-N 1 0 337.370 4.044 20 10 EICDRO CSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC1 ZINC000193804417 1023725419 /nfs/dbraw/zinc/72/54/19/1023725419.db2.gz QFDIEHHZVVPXMH-JTQLQIEISA-N 1 0 330.291 4.091 20 10 EICDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000194040967 1023742996 /nfs/dbraw/zinc/74/29/96/1023742996.db2.gz VXINUPMQQVCRLW-ZDUSSCGKSA-N 1 0 330.394 4.096 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000364476376 1023813896 /nfs/dbraw/zinc/81/38/96/1023813896.db2.gz JKFFQXANFUMBQC-IBGZPJMESA-N 1 0 339.435 4.144 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCOCc2ccccc2)c1 ZINC000185246918 1024997477 /nfs/dbraw/zinc/99/74/77/1024997477.db2.gz DQPIBARTXZFKEF-INIZCTEOSA-N 1 0 329.440 4.048 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc2ccccc2c1O ZINC000326689176 1025203293 /nfs/dbraw/zinc/20/32/93/1025203293.db2.gz QHFIFJOAZHGBBV-GDBMZVCRSA-N 1 0 335.403 4.036 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000165438018 1025289322 /nfs/dbraw/zinc/28/93/22/1025289322.db2.gz FNPCJCOMKXLRCH-AUUYWEPGSA-N 1 0 340.471 4.045 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(N(C)C)cc1 ZINC000178503966 1025328754 /nfs/dbraw/zinc/32/87/54/1025328754.db2.gz COSCOLZWSDKPIY-JOCHJYFZSA-N 1 0 348.494 4.238 20 10 EICDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)c2ccccc2)n1 ZINC000277217792 1025343063 /nfs/dbraw/zinc/34/30/63/1025343063.db2.gz XKOUBDSEIVDFCQ-RDTXWAMCSA-N 1 0 337.423 4.027 20 10 EICDRO CC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1O ZINC000156634345 1025359655 /nfs/dbraw/zinc/35/96/55/1025359655.db2.gz WTKHHMOKUWCINO-HNNXBMFYSA-N 1 0 339.464 4.194 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cc(F)ccc1O ZINC000094618282 1026023671 /nfs/dbraw/zinc/02/36/71/1026023671.db2.gz ZVTDPSWUOBTYGY-MRVPVSSYSA-N 1 0 330.222 4.206 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000157825193 1026065305 /nfs/dbraw/zinc/06/53/05/1026065305.db2.gz PBOKFOBNRXRXIP-YWMUFLPLSA-N 1 0 346.490 4.424 20 10 EICDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894611723 1026256468 /nfs/dbraw/zinc/25/64/68/1026256468.db2.gz YXKUUUDERDMRSL-HXUWFJFHSA-N 1 0 339.435 4.137 20 10 EICDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001167594739 1026910758 /nfs/dbraw/zinc/91/07/58/1026910758.db2.gz QUIJJSOUFPUOJH-OAQYLSRUSA-N 1 0 348.494 4.459 20 10 EICDRO COc1ccc(N2CC[NH+](C[C@H](C)C3CCCCC3)CC2)cc1F ZINC001168069461 1027544388 /nfs/dbraw/zinc/54/43/88/1027544388.db2.gz XRQIJUMGUSQHDX-INIZCTEOSA-N 1 0 334.479 4.173 20 10 EICDRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Br)ccc1O ZINC000840892310 1027573632 /nfs/dbraw/zinc/57/36/32/1027573632.db2.gz QPRFDFDZKVQITB-GFCCVEGCSA-N 1 0 349.272 4.178 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924810 1027766459 /nfs/dbraw/zinc/76/64/59/1027766459.db2.gz VVSNFGWXXSBZSV-MRXNPFEDSA-N 1 0 339.483 4.342 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000475191455 1029368902 /nfs/dbraw/zinc/36/89/02/1029368902.db2.gz DCNZRNHBTOYLPD-UHFFFAOYSA-N 1 0 330.435 4.167 20 10 EICDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000475193004 1029394482 /nfs/dbraw/zinc/39/44/82/1029394482.db2.gz HZEUDGNEBPZPSJ-YTQUADARSA-N 1 0 326.484 4.172 20 10 EICDRO CCn1nccc1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000278719274 1029730937 /nfs/dbraw/zinc/73/09/37/1029730937.db2.gz KQEBPQIPPJZRPS-UHFFFAOYSA-N 1 0 335.451 4.141 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1C ZINC000278764579 1029835354 /nfs/dbraw/zinc/83/53/54/1029835354.db2.gz OEGRIPJJTFKSRH-SNVBAGLBSA-N 1 0 330.375 4.335 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000170686203 1029866263 /nfs/dbraw/zinc/86/62/63/1029866263.db2.gz FYTUCXFAHZJMDH-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185152487 1030122789 /nfs/dbraw/zinc/12/27/89/1030122789.db2.gz LEBYOCSQHNDDOS-BTYIYWSLSA-N 1 0 334.419 4.236 20 10 EICDRO Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)nc1 ZINC000185539382 1030200926 /nfs/dbraw/zinc/20/09/26/1030200926.db2.gz NDWCAPPNXATMTI-CQSZACIVSA-N 1 0 345.874 4.069 20 10 EICDRO C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000373525265 1030220528 /nfs/dbraw/zinc/22/05/28/1030220528.db2.gz YSDKDOZWWYDXJI-HIFPTAJRSA-N 1 0 343.298 4.367 20 10 EICDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cc1[O-] ZINC000185857725 1030234930 /nfs/dbraw/zinc/23/49/30/1030234930.db2.gz ZPNVYPZPTZLFPA-GFCCVEGCSA-N 1 0 344.361 4.219 20 10 EICDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc2ccccc2c1O ZINC000186136487 1030251267 /nfs/dbraw/zinc/25/12/67/1030251267.db2.gz YMKAQBWTRMJXHT-DKICVRJWSA-N 1 0 343.492 4.251 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000186192284 1030255778 /nfs/dbraw/zinc/25/57/78/1030255778.db2.gz LFXLMEVKAKQBJN-LSDHHAIUSA-N 1 0 337.423 4.205 20 10 EICDRO COc1cc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)ccc1F ZINC000530360366 1030337266 /nfs/dbraw/zinc/33/72/66/1030337266.db2.gz RIVPRFBOKKRTAO-CQSZACIVSA-N 1 0 326.415 4.485 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCCCC2)c(F)c1 ZINC000187295722 1030354990 /nfs/dbraw/zinc/35/49/90/1030354990.db2.gz ZWTMCTMXIWRTRC-JYJIFUJCSA-N 1 0 332.463 4.034 20 10 EICDRO COc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)c1O ZINC000527744060 1030840674 /nfs/dbraw/zinc/84/06/74/1030840674.db2.gz KEBZIFXJFMCZTH-UHFFFAOYSA-N 1 0 328.437 4.035 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)OC)c1 ZINC000527924348 1030920485 /nfs/dbraw/zinc/92/04/85/1030920485.db2.gz GRKJQCCZPWWTHU-KXBFYZLASA-N 1 0 329.440 4.056 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)OC)c1 ZINC000527924347 1030922836 /nfs/dbraw/zinc/92/28/36/1030922836.db2.gz GRKJQCCZPWWTHU-HNAYVOBHSA-N 1 0 329.440 4.056 20 10 EICDRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc2ccccc2c1O ZINC000527929642 1030971760 /nfs/dbraw/zinc/97/17/60/1030971760.db2.gz DVGYGZZZBFLVEC-BLLLJJGKSA-N 1 0 349.356 4.196 20 10 EICDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)OC)c1 ZINC000527932760 1030976076 /nfs/dbraw/zinc/97/60/76/1030976076.db2.gz YUDGCGNRUHNCQR-KPZWWZAWSA-N 1 0 335.831 4.093 20 10 EICDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C2CC2)cn1 ZINC000528042264 1031061192 /nfs/dbraw/zinc/06/11/92/1031061192.db2.gz CPUHMWGAWVTTCE-VOJFVSQTSA-N 1 0 332.831 4.251 20 10 EICDRO CCOc1cccc(C[N@H+](C)[C@H](c2ccccc2)c2ccccn2)c1O ZINC000130940045 1031855815 /nfs/dbraw/zinc/85/58/15/1031855815.db2.gz DKIHDNSCQODESC-OAQYLSRUSA-N 1 0 348.446 4.407 20 10 EICDRO C[S@@](=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000093319355 1031861830 /nfs/dbraw/zinc/86/18/30/1031861830.db2.gz FIBUAKGCFPTDFP-DEOSSOPVSA-N 1 0 343.492 4.074 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cc(Cl)ccc1O ZINC000359972788 1031902508 /nfs/dbraw/zinc/90/25/08/1031902508.db2.gz GWCTZWJQOSYEDH-ZDUSSCGKSA-N 1 0 341.842 4.297 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000359975287 1031903504 /nfs/dbraw/zinc/90/35/04/1031903504.db2.gz QPTBEQNGHPLEED-QVKFZJNVSA-N 1 0 334.419 4.236 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1O ZINC000894159330 1034396104 /nfs/dbraw/zinc/39/61/04/1034396104.db2.gz CQIRYJOUKHVLBZ-OAHLLOKOSA-N 1 0 333.428 4.175 20 10 EICDRO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151213928 1035589289 /nfs/dbraw/zinc/58/92/89/1035589289.db2.gz IOHCKGJXOCWBJE-KRWDZBQOSA-N 1 0 339.483 4.321 20 10 EICDRO COc1cc(Cl)cc(C[NH2+]C2CC(C)(c3ccccc3)C2)c1O ZINC000761208353 1036056620 /nfs/dbraw/zinc/05/66/20/1036056620.db2.gz ZMDORTHLGWZZAZ-UHFFFAOYSA-N 1 0 331.843 4.264 20 10 EICDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C)cc(OC)c1O)CCC2 ZINC000164510868 1036164807 /nfs/dbraw/zinc/16/48/07/1036164807.db2.gz JRMDWFVBCYSPGA-OAHLLOKOSA-N 1 0 346.496 4.238 20 10 EICDRO Cc1ccc(C(C)(C)[NH2+]Cc2cc(Br)cc(C)c2O)cn1 ZINC000761224819 1036263320 /nfs/dbraw/zinc/26/33/20/1036263320.db2.gz ATSAXNGYMGEVJP-UHFFFAOYSA-N 1 0 349.272 4.191 20 10 EICDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000761228128 1036283216 /nfs/dbraw/zinc/28/32/16/1036283216.db2.gz HCMDZAYAFXNEFG-NSHDSACASA-N 1 0 340.183 4.284 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1OC ZINC000761229957 1036284613 /nfs/dbraw/zinc/28/46/13/1036284613.db2.gz WIWGZXBSXAZQLZ-CQSZACIVSA-N 1 0 341.451 4.139 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1O ZINC000761227878 1036292426 /nfs/dbraw/zinc/29/24/26/1036292426.db2.gz CWEULFJJIDCRGT-UHFFFAOYSA-N 1 0 345.870 4.274 20 10 EICDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874238 1036425660 /nfs/dbraw/zinc/42/56/60/1036425660.db2.gz MJGPESYAAKJZOS-GOSISDBHSA-N 1 0 340.467 4.436 20 10 EICDRO Cc1sc(C[N@@H+](C)Cc2ccccc2O)cc1Br ZINC001232295955 1036941443 /nfs/dbraw/zinc/94/14/43/1036941443.db2.gz PUQLVWOMKXTVLH-UHFFFAOYSA-N 1 0 326.259 4.157 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000163580978 1036989973 /nfs/dbraw/zinc/98/99/73/1036989973.db2.gz FZWLQMNJSQSBTC-CQSZACIVSA-N 1 0 348.462 4.369 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(O)c1C ZINC000273370147 1037440069 /nfs/dbraw/zinc/44/00/69/1037440069.db2.gz CIIDJMBHJIVNPC-OAHLLOKOSA-N 1 0 327.424 4.021 20 10 EICDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)cc(OC)c1OC ZINC000273385097 1037446957 /nfs/dbraw/zinc/44/69/57/1037446957.db2.gz JIZQDRCWDDYYJC-KBPBESRZSA-N 1 0 345.439 4.138 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c(O)c1C ZINC000273456756 1037470314 /nfs/dbraw/zinc/47/03/14/1037470314.db2.gz HGJYLHMARSRKQK-AWEZNQCLSA-N 1 0 339.464 4.378 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1C ZINC000273490621 1037480937 /nfs/dbraw/zinc/48/09/37/1037480937.db2.gz OFMVWGAZCPXPQY-JKSUJKDBSA-N 1 0 335.513 4.104 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(F)cc(F)c3)CC2)cc1 ZINC000157413764 1037494621 /nfs/dbraw/zinc/49/46/21/1037494621.db2.gz RLTSJQBUOBOJQD-AWEZNQCLSA-N 1 0 346.421 4.293 20 10 EICDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(Br)cc1O ZINC000273583579 1037509560 /nfs/dbraw/zinc/50/95/60/1037509560.db2.gz NEKGNAFDDKAGTG-MRVPVSSYSA-N 1 0 326.156 4.148 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c(O)c1C ZINC000273594201 1037518493 /nfs/dbraw/zinc/51/84/93/1037518493.db2.gz QCGKQKNWRGHCJN-VDZJLULYSA-N 1 0 327.468 4.214 20 10 EICDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Br)ccc1O ZINC000273608673 1037521476 /nfs/dbraw/zinc/52/14/76/1037521476.db2.gz VBLZKOYUCVFWRB-BONVTDFDSA-N 1 0 348.240 4.198 20 10 EICDRO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000760897335 1037650252 /nfs/dbraw/zinc/65/02/52/1037650252.db2.gz KGSVVPSKNZPWHI-QGZVFWFLSA-N 1 0 348.494 4.414 20 10 EICDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760905102 1037652994 /nfs/dbraw/zinc/65/29/94/1037652994.db2.gz IGIOYBMCATXFPJ-JSGCOSHPSA-N 1 0 348.384 4.044 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1F ZINC000058474685 1037808269 /nfs/dbraw/zinc/80/82/69/1037808269.db2.gz NVPAIUYEOBVYKU-UHFFFAOYSA-N 1 0 344.402 4.230 20 10 EICDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157715388 1037918353 /nfs/dbraw/zinc/91/83/53/1037918353.db2.gz WGTLOOVSPPUKBR-KGLIPLIRSA-N 1 0 326.431 4.281 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1C ZINC000172970379 1038032454 /nfs/dbraw/zinc/03/24/54/1038032454.db2.gz OUBHQVOCRSJMID-LJQANCHMSA-N 1 0 325.452 4.048 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000151069153 1038629863 /nfs/dbraw/zinc/62/98/63/1038629863.db2.gz NDGRYCFKKKAUSY-INIZCTEOSA-N 1 0 342.483 4.401 20 10 EICDRO Clc1ccnc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924649613 1040954306 /nfs/dbraw/zinc/95/43/06/1040954306.db2.gz RQMWTAMABCGWDD-GOSISDBHSA-N 1 0 327.859 4.112 20 10 EICDRO COc1cccc(-c2cc(C[NH2+][C@@H](C)c3ccc(C)cc3O)on2)c1 ZINC000903291854 1041003071 /nfs/dbraw/zinc/00/30/71/1041003071.db2.gz LJWBYFWLGGINGI-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Br)ccc1O ZINC000156371452 1041443564 /nfs/dbraw/zinc/44/35/64/1041443564.db2.gz LTUBXXBIEQZKBV-XHDPSFHLSA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Br)ccc1O ZINC000156371563 1041443640 /nfs/dbraw/zinc/44/36/40/1041443640.db2.gz LTUBXXBIEQZKBV-ABAIWWIYSA-N 1 0 342.277 4.011 20 10 EICDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151552650 1041709243 /nfs/dbraw/zinc/70/92/43/1041709243.db2.gz KTRLUSJIZKYURQ-UHFFFAOYSA-N 1 0 348.512 4.305 20 10 EICDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000366674575 1041837008 /nfs/dbraw/zinc/83/70/08/1041837008.db2.gz BZWRJHHLTAIOPA-INIZCTEOSA-N 1 0 331.485 4.185 20 10 EICDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727839121 1043315623 /nfs/dbraw/zinc/31/56/23/1043315623.db2.gz ZJOMPMLTIFYTTO-MJGOQNOKSA-N 1 0 334.479 4.111 20 10 EICDRO CCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CCCCO1 ZINC000730255942 1043486685 /nfs/dbraw/zinc/48/66/85/1043486685.db2.gz NXMCPNOMCWSMRK-SFHVURJKSA-N 1 0 343.467 4.335 20 10 EICDRO CC(C)OC1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000730564791 1043556947 /nfs/dbraw/zinc/55/69/47/1043556947.db2.gz WPEDMKZYGKHFIM-UHFFFAOYSA-N 1 0 343.467 4.407 20 10 EICDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)CC1 ZINC000731041553 1043682494 /nfs/dbraw/zinc/68/24/94/1043682494.db2.gz GRGBQASJBHQSRY-UHFFFAOYSA-N 1 0 334.467 4.089 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000731845492 1043833748 /nfs/dbraw/zinc/83/37/48/1043833748.db2.gz AZNHUQJRUZMJKL-UHFFFAOYSA-N 1 0 349.434 4.387 20 10 EICDRO C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1ccccc1O ZINC000731843791 1043834219 /nfs/dbraw/zinc/83/42/19/1043834219.db2.gz WPYNALIKDZTAGH-UHFFFAOYSA-N 1 0 326.223 4.210 20 10 EICDRO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccccc1O ZINC000731842831 1043835528 /nfs/dbraw/zinc/83/55/28/1043835528.db2.gz IOGHSLNPRADREP-HNNXBMFYSA-N 1 0 340.467 4.149 20 10 EICDRO COC(=O)c1sc2ccccc2c1C[N@H+](C)Cc1ccccc1O ZINC000731842790 1043836494 /nfs/dbraw/zinc/83/64/94/1043836494.db2.gz DJZVXDPTRYXWSL-UHFFFAOYSA-N 1 0 341.432 4.026 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]CCCSc1nccs1)CCC2 ZINC000766072300 1043880068 /nfs/dbraw/zinc/88/00/68/1043880068.db2.gz FWQIABFIIBMEHR-INIZCTEOSA-N 1 0 334.510 4.301 20 10 EICDRO Fc1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000732672330 1043980793 /nfs/dbraw/zinc/98/07/93/1043980793.db2.gz GSYAJJWYRLITRK-UHFFFAOYSA-N 1 0 330.422 4.287 20 10 EICDRO CCOc1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c(O)c1 ZINC000732986049 1044059608 /nfs/dbraw/zinc/05/96/08/1044059608.db2.gz VISCLRFRIUZRDT-UHFFFAOYSA-N 1 0 332.469 4.115 20 10 EICDRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000766095120 1044064802 /nfs/dbraw/zinc/06/48/02/1044064802.db2.gz PVUAERXNOOGVFU-MOPGFXCFSA-N 1 0 338.495 4.286 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCCSc1ccc(F)cc1 ZINC000733322968 1044185250 /nfs/dbraw/zinc/18/52/50/1044185250.db2.gz HDCGUNQWTRHSPN-UHFFFAOYSA-N 1 0 325.836 4.457 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000733324812 1044190297 /nfs/dbraw/zinc/19/02/97/1044190297.db2.gz DKFNTKGDVXSNHV-UHFFFAOYSA-N 1 0 345.748 4.233 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136014 1044324084 /nfs/dbraw/zinc/32/40/84/1044324084.db2.gz GVACKCQUWVHXGO-XMSQKQJNSA-N 1 0 348.494 4.431 20 10 EICDRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140411 1044334954 /nfs/dbraw/zinc/33/49/54/1044334954.db2.gz WIBKTBBZBFWMPW-UWJYYQICSA-N 1 0 334.467 4.041 20 10 EICDRO Cc1cccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1O ZINC000282686377 1044378203 /nfs/dbraw/zinc/37/82/03/1044378203.db2.gz IPIDRAZMTZCXRM-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO CCC[C@@H](C[NH2+][C@H](CC)c1cc(Br)ccc1O)OC ZINC000378839873 1044412905 /nfs/dbraw/zinc/41/29/05/1044412905.db2.gz XJUIMUXBBKRTGD-GXTWGEPZSA-N 1 0 330.266 4.011 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1C ZINC000734004505 1044452538 /nfs/dbraw/zinc/45/25/38/1044452538.db2.gz LPWIOQMFCRGJKA-ZDUSSCGKSA-N 1 0 333.403 4.011 20 10 EICDRO c1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)cc1 ZINC000734510431 1044593052 /nfs/dbraw/zinc/59/30/52/1044593052.db2.gz WCTUKNCVACKDCD-OAQYLSRUSA-N 1 0 349.522 4.436 20 10 EICDRO COc1ccc(C[NH2+][C@H](c2ccccc2F)C(C)C)c(O)c1OC ZINC000895346911 1044627417 /nfs/dbraw/zinc/62/74/17/1044627417.db2.gz NTUWZSRYAZOUBK-KRWDZBQOSA-N 1 0 333.403 4.035 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)ccc1OC ZINC000738436424 1044647135 /nfs/dbraw/zinc/64/71/35/1044647135.db2.gz WKGYROFLIIZFFF-QGZVFWFLSA-N 1 0 327.468 4.433 20 10 EICDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734851492 1044702296 /nfs/dbraw/zinc/70/22/96/1044702296.db2.gz BQUMXIISXROZQU-FQEVSTJZSA-N 1 0 345.446 4.325 20 10 EICDRO COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c(O)c1OC ZINC000895626613 1044830348 /nfs/dbraw/zinc/83/03/48/1044830348.db2.gz WUURGSCVJGYYDU-GOSISDBHSA-N 1 0 329.440 4.205 20 10 EICDRO CCc1cccc(C[NH2+]Cc2ccc(Br)s2)c1O ZINC000709455917 1044835911 /nfs/dbraw/zinc/83/59/11/1044835911.db2.gz QPOSLQRVCALKOX-UHFFFAOYSA-N 1 0 326.259 4.068 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)c2cccc(F)c2)ccc1OC ZINC000735678726 1044854263 /nfs/dbraw/zinc/85/42/63/1044854263.db2.gz YQYXGOMQGMGZMV-UHFFFAOYSA-N 1 0 345.458 4.438 20 10 EICDRO CCOCc1cc(C[NH2+][C@@]2(C)CCOc3ccccc32)ccc1OC ZINC000923025683 1044908504 /nfs/dbraw/zinc/90/85/04/1044908504.db2.gz NDYSXOVLQZHWAO-NRFANRHFSA-N 1 0 341.451 4.019 20 10 EICDRO CCOCc1cc(C[NH2+][C@H]2CCSC3(CCC3)C2)ccc1OC ZINC000922844237 1044990176 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CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000762486935 1045258343 /nfs/dbraw/zinc/25/83/43/1045258343.db2.gz RFLSLPRBTCFWLJ-GCJKJVERSA-N 1 0 338.495 4.228 20 10 EICDRO Cc1nccn1CCCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000767396203 1045525921 /nfs/dbraw/zinc/52/59/21/1045525921.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 1 0 327.472 4.122 20 10 EICDRO C[N@H+](CCCn1ccnc1)Cc1cc2oc3ccccc3c2cc1O ZINC000767753660 1045631996 /nfs/dbraw/zinc/63/19/96/1045631996.db2.gz DNECJTGQKMOUNB-UHFFFAOYSA-N 1 0 335.407 4.010 20 10 EICDRO C[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000790958134 1045636139 /nfs/dbraw/zinc/63/61/39/1045636139.db2.gz JGCFFUMYWGTRPY-ZDUSSCGKSA-N 1 0 336.888 4.089 20 10 EICDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc2ccccc2c1O ZINC000897521873 1045650550 /nfs/dbraw/zinc/65/05/50/1045650550.db2.gz DSCXAJQQTXISQA-KRWDZBQOSA-N 1 0 341.373 4.119 20 10 EICDRO OCC[N@H+](Cc1ccccc1)Cc1cc(-c2ccccc2)ccc1O ZINC000768142744 1045718462 /nfs/dbraw/zinc/71/84/62/1045718462.db2.gz 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ZINC000768227756 1045756699 /nfs/dbraw/zinc/75/66/99/1045756699.db2.gz HXACNCDYSCTNJZ-MRXNPFEDSA-N 1 0 347.842 4.400 20 10 EICDRO Oc1ccc(Cl)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768235034 1045760674 /nfs/dbraw/zinc/76/06/74/1045760674.db2.gz VZEMUWGZGMCUGU-UHFFFAOYSA-N 1 0 339.826 4.211 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(N(C)C)cc1 ZINC000768285350 1045777808 /nfs/dbraw/zinc/77/78/08/1045777808.db2.gz LGVNSKDBTXLWJI-UXHICEINSA-N 1 0 340.467 4.326 20 10 EICDRO COc1cc(C[NH+]2CCC(COc3ccccc3)CC2)c(O)cc1C ZINC000768444879 1045807084 /nfs/dbraw/zinc/80/70/84/1045807084.db2.gz DGVHKFZXDFGGIS-UHFFFAOYSA-N 1 0 341.451 4.000 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1OC ZINC000768445178 1045807716 /nfs/dbraw/zinc/80/77/16/1045807716.db2.gz QMDJNGBBOFINFY-GOSISDBHSA-N 1 0 341.451 4.007 20 10 EICDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccccc1OC ZINC000768478220 1045809074 /nfs/dbraw/zinc/80/90/74/1045809074.db2.gz JAELGTBNHOUXGI-HNNXBMFYSA-N 1 0 329.440 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ZINC000769106973 1045880860 /nfs/dbraw/zinc/88/08/60/1045880860.db2.gz HYAUBRIMGGDAJL-UHFFFAOYSA-N 1 0 333.859 4.474 20 10 EICDRO CCC[N@H+](Cc1ccc(OC)c(OCC)c1)Cc1ccccc1O ZINC000769200670 1045892665 /nfs/dbraw/zinc/89/26/65/1045892665.db2.gz IEZBWIYWRGFIET-UHFFFAOYSA-N 1 0 329.440 4.212 20 10 EICDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209446 1045894259 /nfs/dbraw/zinc/89/42/59/1045894259.db2.gz BZUXYQURAIZWID-LAUBAEHRSA-N 1 0 341.451 4.001 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)c(O)c1 ZINC000769225618 1045895538 /nfs/dbraw/zinc/89/55/38/1045895538.db2.gz MTNVLQDTVBCJMB-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)cc1OC ZINC000153843124 1045907919 /nfs/dbraw/zinc/90/79/19/1045907919.db2.gz HOXAHOYOGPZXSY-IBGZPJMESA-N 1 0 342.483 4.401 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000769318378 1045919684 /nfs/dbraw/zinc/91/96/84/1045919684.db2.gz XLGAXIFFUVHAOX-UHFFFAOYSA-N 1 0 336.435 4.254 20 10 EICDRO CN(Cc1c(O)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769328945 1045922211 /nfs/dbraw/zinc/92/22/11/1045922211.db2.gz HZFYQNJUIXPNCC-UHFFFAOYSA-N 1 0 344.886 4.142 20 10 EICDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000769385355 1045944175 /nfs/dbraw/zinc/94/41/75/1045944175.db2.gz WFWKOCNGTBNNQZ-GHTZIAJQSA-N 1 0 338.495 4.186 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c(O)c1 ZINC000769428256 1045962203 /nfs/dbraw/zinc/96/22/03/1045962203.db2.gz OMHUWXURANYLPF-SFHVURJKSA-N 1 0 333.378 4.406 20 10 EICDRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001170288902 1045991107 /nfs/dbraw/zinc/99/11/07/1045991107.db2.gz ZAZIMZIZANAHLZ-CYBMUJFWSA-N 1 0 331.843 4.131 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c(O)c1 ZINC000769493299 1045994740 /nfs/dbraw/zinc/99/47/40/1045994740.db2.gz SMNDVCJAVUOGJX-SFHVURJKSA-N 1 0 339.435 4.028 20 10 EICDRO Cc1cccc(C2(O)CC[NH+](Cc3c(O)cccc3Cl)CC2)c1C ZINC000769497767 1045996083 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CC(C)[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(N(C)C)cc1 ZINC000763398092 1046126627 /nfs/dbraw/zinc/12/66/27/1046126627.db2.gz PCHOBOYLKJMQNP-UHFFFAOYSA-N 1 0 340.515 4.475 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)cc1OC ZINC000793231450 1046178258 /nfs/dbraw/zinc/17/82/58/1046178258.db2.gz CRJRXQGALMXGLG-INIZCTEOSA-N 1 0 341.451 4.016 20 10 EICDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1O ZINC000770350966 1046190680 /nfs/dbraw/zinc/19/06/80/1046190680.db2.gz RMPXGLCMIMJURN-QGZVFWFLSA-N 1 0 333.378 4.406 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000770506134 1046209207 /nfs/dbraw/zinc/20/92/07/1046209207.db2.gz UGMHGANRJBYARS-HNNXBMFYSA-N 1 0 331.843 4.337 20 10 EICDRO Oc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000770504558 1046209631 /nfs/dbraw/zinc/20/96/31/1046209631.db2.gz JFRFJOKRALWWEK-CTNGQTDRSA-N 1 0 325.452 4.261 20 10 EICDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Br)cn1 ZINC000793335308 1046210560 /nfs/dbraw/zinc/21/05/60/1046210560.db2.gz SXBQXSQSOOOGIT-VIFPVBQESA-N 1 0 341.636 4.054 20 10 EICDRO Cc1ccncc1C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000793338280 1046211028 /nfs/dbraw/zinc/21/10/28/1046211028.db2.gz DMYRMKQIIZMPQL-UHFFFAOYSA-N 1 0 348.446 4.307 20 10 EICDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000793386303 1046228646 /nfs/dbraw/zinc/22/86/46/1046228646.db2.gz KRXUSHCOVUBMHM-CZIWCDLHSA-N 1 0 331.843 4.480 20 10 EICDRO COc1cc(O)c(C[N@H+]2CC=C(c3cccc(C)c3)CC2)cc1OC ZINC000770661068 1046241756 /nfs/dbraw/zinc/24/17/56/1046241756.db2.gz LYZOTRWJTFYNHU-UHFFFAOYSA-N 1 0 339.435 4.007 20 10 EICDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](CSC)C3)c2c1 ZINC000793794539 1046334135 /nfs/dbraw/zinc/33/41/35/1046334135.db2.gz XTBFXPYJCBDDSK-CQSZACIVSA-N 1 0 331.481 4.129 20 10 EICDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000916838669 1046383773 /nfs/dbraw/zinc/38/37/73/1046383773.db2.gz PJMIDYOKEYUXLP-NQIIRXRSSA-N 1 0 330.516 4.362 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000771387622 1046392361 /nfs/dbraw/zinc/39/23/61/1046392361.db2.gz LRJSPAJGWLXEJF-IXDOHACOSA-N 1 0 334.479 4.282 20 10 EICDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000771891186 1046522111 /nfs/dbraw/zinc/52/21/11/1046522111.db2.gz ZBTAXGPQAGWCBF-TZIWHRDSSA-N 1 0 325.452 4.352 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000771934895 1046527799 /nfs/dbraw/zinc/52/77/99/1046527799.db2.gz GKQXOLOCAQXGAD-UHFFFAOYSA-N 1 0 348.874 4.055 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000785572655 1046723380 /nfs/dbraw/zinc/72/33/80/1046723380.db2.gz HZDBCRJJZXLVRD-CKJXQJPGSA-N 1 0 342.483 4.051 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(Cl)cc1 ZINC000786822145 1046875547 /nfs/dbraw/zinc/87/55/47/1046875547.db2.gz UUNLPHTZECYNMJ-IBGZPJMESA-N 1 0 344.886 4.200 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc(Cl)cc1 ZINC000786853465 1046875974 /nfs/dbraw/zinc/87/59/74/1046875974.db2.gz BTHNCXOAZMPWLP-SFHVURJKSA-N 1 0 332.875 4.192 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915995 1046881475 /nfs/dbraw/zinc/88/14/75/1046881475.db2.gz GJHWHLJIMSASIR-LIRRHRJNSA-N 1 0 332.875 4.444 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1O ZINC000786953944 1046883548 /nfs/dbraw/zinc/88/35/48/1046883548.db2.gz PGCYSIHNRJWQKK-YPMHNXCESA-N 1 0 325.758 4.054 20 10 EICDRO CN(C)c1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000787299142 1046986580 /nfs/dbraw/zinc/98/65/80/1046986580.db2.gz ZNFCYGGMXFLFMU-UHFFFAOYSA-N 1 0 326.406 4.498 20 10 EICDRO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)ccc1SC ZINC000746715731 1047070740 /nfs/dbraw/zinc/07/07/40/1047070740.db2.gz YRHONFKBQBRXKZ-UHFFFAOYSA-N 1 0 343.492 4.243 20 10 EICDRO CC(C)[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ccnn1C ZINC000788076987 1047103576 /nfs/dbraw/zinc/10/35/76/1047103576.db2.gz RAWCFWUKYHOBHV-FQEVSTJZSA-N 1 0 349.478 4.322 20 10 EICDRO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806137744 1047134162 /nfs/dbraw/zinc/13/41/62/1047134162.db2.gz NIIDZRCEJCWYOP-MRXNPFEDSA-N 1 0 345.314 4.472 20 10 EICDRO Cc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c(O)c1C ZINC000806173335 1047160133 /nfs/dbraw/zinc/16/01/33/1047160133.db2.gz XHIVXAZYHKKYOL-HNAYVOBHSA-N 1 0 330.447 4.102 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000806178023 1047201086 /nfs/dbraw/zinc/20/10/86/1047201086.db2.gz BICDDNXDTCBFTF-QAPCUYQASA-N 1 0 346.902 4.223 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000788563020 1047225240 /nfs/dbraw/zinc/22/52/40/1047225240.db2.gz JEKRNSSUFZRFIK-IRXDYDNUSA-N 1 0 342.458 4.325 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c2ccccc2n1 ZINC000788615698 1047249731 /nfs/dbraw/zinc/24/97/31/1047249731.db2.gz WWBFSVOYDLDBSI-HNNXBMFYSA-N 1 0 336.435 4.417 20 10 EICDRO COc1cccc(OCCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000788668653 1047268652 /nfs/dbraw/zinc/26/86/52/1047268652.db2.gz XJVLYVYKPVEIDB-MRXNPFEDSA-N 1 0 329.440 4.137 20 10 EICDRO Cc1noc(C2CCC([NH2+][C@H](C)c3c(C)cc(C)cc3O)CC2)n1 ZINC000788670573 1047269883 /nfs/dbraw/zinc/26/98/83/1047269883.db2.gz UIRJBUOVRNTRSZ-IUDNXUCKSA-N 1 0 329.444 4.077 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1 ZINC000788749413 1047302634 /nfs/dbraw/zinc/30/26/34/1047302634.db2.gz FOGRLTVJCQNWMI-AUUYWEPGSA-N 1 0 333.859 4.221 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1C(C)C ZINC000760407292 1047360315 /nfs/dbraw/zinc/36/03/15/1047360315.db2.gz ICBAXRFSHNZLQX-SFHVURJKSA-N 1 0 331.481 4.459 20 10 EICDRO COc1cccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000154881073 1047739662 /nfs/dbraw/zinc/73/96/62/1047739662.db2.gz LCKWBVOHYKSJJR-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC23CCOCC3)cc1 ZINC000824291856 1047851043 /nfs/dbraw/zinc/85/10/43/1047851043.db2.gz IGHHYZZTUILULG-UHFFFAOYSA-N 1 0 342.508 4.139 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178475 1047869191 /nfs/dbraw/zinc/86/91/91/1047869191.db2.gz QWYQHKIONYIQSD-NRFANRHFSA-N 1 0 337.463 4.308 20 10 EICDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1 ZINC000808454557 1047917806 /nfs/dbraw/zinc/91/78/06/1047917806.db2.gz LSUBOVUXJLWQQI-KRWDZBQOSA-N 1 0 336.838 4.022 20 10 EICDRO COC[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccc(Cl)cc1 ZINC000824758195 1047946141 /nfs/dbraw/zinc/94/61/41/1047946141.db2.gz NBNPDZKIXJATEL-ZFWWWQNUSA-N 1 0 349.858 4.135 20 10 EICDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1C ZINC000824820433 1047958691 /nfs/dbraw/zinc/95/86/91/1047958691.db2.gz FSIJACZBIXBFSZ-OXQOHEQNSA-N 1 0 344.524 4.241 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808680199 1048033844 /nfs/dbraw/zinc/03/38/44/1048033844.db2.gz DRCAJLGXSBCHCC-ZDUSSCGKSA-N 1 0 334.847 4.389 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000825129717 1048038824 /nfs/dbraw/zinc/03/88/24/1048038824.db2.gz BLYTYESJUJNXTO-ABAIWWIYSA-N 1 0 341.377 4.429 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000825150889 1048044162 /nfs/dbraw/zinc/04/41/62/1048044162.db2.gz LLRNHBQJUOICEZ-RBUKOAKNSA-N 1 0 331.843 4.364 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000808672842 1048045701 /nfs/dbraw/zinc/04/57/01/1048045701.db2.gz SGUBORPCOWSAIY-WFASDCNBSA-N 1 0 338.904 4.369 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000808674632 1048046603 /nfs/dbraw/zinc/04/66/03/1048046603.db2.gz KXYBMWVZRDPSSL-OLZOCXBDSA-N 1 0 348.878 4.084 20 10 EICDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000825191039 1048053006 /nfs/dbraw/zinc/05/30/06/1048053006.db2.gz TYBOVPVMEVLGGO-OAHLLOKOSA-N 1 0 348.240 4.158 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000808707067 1048054279 /nfs/dbraw/zinc/05/42/79/1048054279.db2.gz ZPNCDGZDHBMUJR-OAVHHTNSSA-N 1 0 337.822 4.266 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1O ZINC000808707759 1048054312 /nfs/dbraw/zinc/05/43/12/1048054312.db2.gz XZJGIXWVGHCUDG-GLJUWKHASA-N 1 0 333.859 4.169 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000808710637 1048056799 /nfs/dbraw/zinc/05/67/99/1048056799.db2.gz SUSOOTGTAUUBKS-UONOGXRCSA-N 1 0 325.880 4.193 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000808709182 1048057246 /nfs/dbraw/zinc/05/72/46/1048057246.db2.gz VNHJWTSJROCXHQ-XIKOKIGWSA-N 1 0 337.822 4.051 20 10 EICDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000825286665 1048062950 /nfs/dbraw/zinc/06/29/50/1048062950.db2.gz FZJYQAJVOPJPMD-INIZCTEOSA-N 1 0 349.272 4.345 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000808697855 1048081204 /nfs/dbraw/zinc/08/12/04/1048081204.db2.gz XJFMRPPKPBXOCF-ZBFHGGJFSA-N 1 0 333.859 4.171 20 10 EICDRO COc1cc(C[N@H+](C)[C@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451228 1048095457 /nfs/dbraw/zinc/09/54/57/1048095457.db2.gz RKGSHBFQAMWJBH-CQSZACIVSA-N 1 0 328.456 4.286 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000825526386 1048109659 /nfs/dbraw/zinc/10/96/59/1048109659.db2.gz RASZUASHRDCATB-APWZRJJASA-N 1 0 331.843 4.364 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1O ZINC000155115776 1048183431 /nfs/dbraw/zinc/18/34/31/1048183431.db2.gz NSGOMFNORGJFRD-GOSISDBHSA-N 1 0 326.440 4.350 20 10 EICDRO CCc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000815083427 1048324409 /nfs/dbraw/zinc/32/44/09/1048324409.db2.gz YARYZXZTRPORFA-CQSZACIVSA-N 1 0 328.456 4.332 20 10 EICDRO Cc1sccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000815115763 1048329143 /nfs/dbraw/zinc/32/91/43/1048329143.db2.gz MOEDXYXUFHACBE-ZIAGYGMSSA-N 1 0 348.487 4.099 20 10 EICDRO Cc1sccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000815115762 1048330436 /nfs/dbraw/zinc/33/04/36/1048330436.db2.gz MOEDXYXUFHACBE-OKILXGFUSA-N 1 0 348.487 4.099 20 10 EICDRO Cc1cc(O)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C ZINC000919950418 1048332923 /nfs/dbraw/zinc/33/29/23/1048332923.db2.gz KWADRTARDWPWCI-UHFFFAOYSA-N 1 0 328.412 4.328 20 10 EICDRO CC[N@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1O)OCO2 ZINC000919953358 1048335712 /nfs/dbraw/zinc/33/57/12/1048335712.db2.gz JKTKUWJKRZYVIV-UHFFFAOYSA-N 1 0 335.403 4.296 20 10 EICDRO COCC1(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000815148240 1048367514 /nfs/dbraw/zinc/36/75/14/1048367514.db2.gz PKOOUNWYRJNWHV-UHFFFAOYSA-N 1 0 344.421 4.068 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1)CCCC3 ZINC000844756735 1048487769 /nfs/dbraw/zinc/48/77/69/1048487769.db2.gz LPVBYEIEIQESNQ-GOSISDBHSA-N 1 0 333.378 4.248 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000809713347 1048491079 /nfs/dbraw/zinc/49/10/79/1048491079.db2.gz MYRXMZIKOXVFNM-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO COc1cccc(O)c1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000809736523 1048494022 /nfs/dbraw/zinc/49/40/22/1048494022.db2.gz YIPFQLUEZQIQNA-UHFFFAOYSA-N 1 0 327.399 4.219 20 10 EICDRO CC[N@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809726127 1048499190 /nfs/dbraw/zinc/49/91/90/1048499190.db2.gz DDDITRJIPLKZOO-UHFFFAOYSA-N 1 0 348.446 4.388 20 10 EICDRO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000809724596 1048500497 /nfs/dbraw/zinc/50/04/97/1048500497.db2.gz RCGSMAGYWWCPDI-UTKZUKDTSA-N 1 0 336.479 4.118 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000809768821 1048503235 /nfs/dbraw/zinc/50/32/35/1048503235.db2.gz XNMKDXIAKOGWPN-LJQANCHMSA-N 1 0 326.488 4.210 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1F ZINC000809768566 1048504072 /nfs/dbraw/zinc/50/40/72/1048504072.db2.gz OUXQDVCUZXJRPX-IBGZPJMESA-N 1 0 344.478 4.349 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(O)c1 ZINC000815553329 1048504692 /nfs/dbraw/zinc/50/46/92/1048504692.db2.gz XSJYXNRSVDRHAP-MAUKXSAKSA-N 1 0 330.447 4.102 20 10 EICDRO OCc1ccccc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815564227 1048510919 /nfs/dbraw/zinc/51/09/19/1048510919.db2.gz BXEILRIUQZJUQI-JOCHJYFZSA-N 1 0 347.458 4.348 20 10 EICDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000815565859 1048511621 /nfs/dbraw/zinc/51/16/21/1048511621.db2.gz BTEAUVNTVWKVMF-SJORKVTESA-N 1 0 342.458 4.383 20 10 EICDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000809752634 1048516789 /nfs/dbraw/zinc/51/67/89/1048516789.db2.gz GSTUIXNQFVKZSH-UHFFFAOYSA-N 1 0 349.478 4.450 20 10 EICDRO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815576662 1048518796 /nfs/dbraw/zinc/51/87/96/1048518796.db2.gz VYGOBATZHNZEHM-CYBMUJFWSA-N 1 0 344.421 4.184 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c(O)c1 ZINC000815581610 1048521542 /nfs/dbraw/zinc/52/15/42/1048521542.db2.gz LAZRYUANLFHFCW-JXFKEZNVSA-N 1 0 343.467 4.180 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ccc(F)cn1 ZINC000815589174 1048526072 /nfs/dbraw/zinc/52/60/72/1048526072.db2.gz KLYOLXFESHENMC-FQEVSTJZSA-N 1 0 336.410 4.390 20 10 EICDRO CC(C)(CCCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815590038 1048527372 /nfs/dbraw/zinc/52/73/72/1048527372.db2.gz KDQBBJXQQCVWNN-FQEVSTJZSA-N 1 0 341.495 4.454 20 10 EICDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)c1 ZINC000809783401 1048528943 /nfs/dbraw/zinc/52/89/43/1048528943.db2.gz BIMYBFWIHBHJOQ-IBGZPJMESA-N 1 0 329.440 4.383 20 10 EICDRO CC[C@@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595262 1048530792 /nfs/dbraw/zinc/53/07/92/1048530792.db2.gz MEHNQWUPSHWQHX-QUCCMNQESA-N 1 0 327.468 4.207 20 10 EICDRO COc1ccc(C[N@H+](Cc2cccc(OC)c2O)C(C)(C)C)cc1 ZINC000809792304 1048535676 /nfs/dbraw/zinc/53/56/76/1048535676.db2.gz QTUHWQVUVQJVDZ-UHFFFAOYSA-N 1 0 329.440 4.210 20 10 EICDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)N2CCCC2)o1 ZINC000815573101 1048536874 /nfs/dbraw/zinc/53/68/74/1048536874.db2.gz YCNSSDPQSCXSEN-ROUUACIJSA-N 1 0 342.483 4.398 20 10 EICDRO Cc1nnc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)s1 ZINC000815615883 1048542466 /nfs/dbraw/zinc/54/24/66/1048542466.db2.gz ZYXFFBJQJHYCTK-QGZVFWFLSA-N 1 0 339.464 4.016 20 10 EICDRO COCC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815629001 1048552714 /nfs/dbraw/zinc/55/27/14/1048552714.db2.gz PYMYBCMUCCZSFG-IBGZPJMESA-N 1 0 327.468 4.328 20 10 EICDRO CC[C@H]([NH2+]Cc1cnccc1OC)c1ccc(C(F)(F)F)cc1O ZINC000815629844 1048553626 /nfs/dbraw/zinc/55/36/26/1048553626.db2.gz ONURWDQGQBEEOH-AWEZNQCLSA-N 1 0 340.345 4.056 20 10 EICDRO COc1ccncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815629803 1048553889 /nfs/dbraw/zinc/55/38/89/1048553889.db2.gz NOSZMNJBZMKLMY-HXUWFJFHSA-N 1 0 348.446 4.260 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000920183009 1048564867 /nfs/dbraw/zinc/56/48/67/1048564867.db2.gz YUJMKKQIGREYHW-UNMCSNQZSA-N 1 0 338.495 4.106 20 10 EICDRO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)c1ccccc1O ZINC000815639295 1048564857 /nfs/dbraw/zinc/56/48/57/1048564857.db2.gz TUMBPDMTRGYWJA-HNNXBMFYSA-N 1 0 349.858 4.346 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1C ZINC000815637035 1048565188 /nfs/dbraw/zinc/56/51/88/1048565188.db2.gz KCNYCICUUZSOFP-CYBMUJFWSA-N 1 0 338.373 4.316 20 10 EICDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000815648450 1048570605 /nfs/dbraw/zinc/57/06/05/1048570605.db2.gz MZHMHZMYSHMBAB-KBPBESRZSA-N 1 0 325.387 4.129 20 10 EICDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000810135518 1048642415 /nfs/dbraw/zinc/64/24/15/1048642415.db2.gz PAHGUHHRVUOEFG-WDSOQIARSA-N 1 0 328.500 4.166 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCc2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000810166209 1048651946 /nfs/dbraw/zinc/65/19/46/1048651946.db2.gz NTJLGFQBAQCHHO-UHFFFAOYSA-N 1 0 329.488 4.043 20 10 EICDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810212853 1048680462 /nfs/dbraw/zinc/68/04/62/1048680462.db2.gz ZRWOXEPJRWSSAX-LLVKDONJSA-N 1 0 345.283 4.031 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(O)c2)cc1F ZINC000810216259 1048686239 /nfs/dbraw/zinc/68/62/39/1048686239.db2.gz HBTWPBUNCIVGNE-CQSZACIVSA-N 1 0 346.446 4.237 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810219650 1048687866 /nfs/dbraw/zinc/68/78/66/1048687866.db2.gz UTIGHUVSCWSRMD-CYBMUJFWSA-N 1 0 348.288 4.069 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223975 1048691691 /nfs/dbraw/zinc/69/16/91/1048691691.db2.gz PRPHONARGDQHHP-OSAQELSMSA-N 1 0 331.378 4.003 20 10 EICDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(Cl)c1 ZINC000810225429 1048694540 /nfs/dbraw/zinc/69/45/40/1048694540.db2.gz CZMJIUJVAGJHEO-GOSISDBHSA-N 1 0 332.875 4.192 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccc(C(F)(F)F)cc1O ZINC000810229708 1048697549 /nfs/dbraw/zinc/69/75/49/1048697549.db2.gz ICOFSNJQYOWUPX-DIOULYMOSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810235478 1048701904 /nfs/dbraw/zinc/70/19/04/1048701904.db2.gz QNRHEWUHELONHB-JMSVASOKSA-N 1 0 331.378 4.267 20 10 EICDRO Oc1cc(O)c(C[N@H+](CCc2ccccc2)Cc2ccccc2)c(O)c1 ZINC001144514367 1048709034 /nfs/dbraw/zinc/70/90/34/1048709034.db2.gz AEWFSRHRSBVWSB-UHFFFAOYSA-N 1 0 349.430 4.048 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000810260017 1048709505 /nfs/dbraw/zinc/70/95/05/1048709505.db2.gz ZYFJQWZGUBGXGT-DYESRHJHSA-N 1 0 330.516 4.269 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238004 1048720558 /nfs/dbraw/zinc/72/05/58/1048720558.db2.gz WQWLBLHJFMSTOV-UKPHBRMFSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(C(F)(F)F)cc1O ZINC000810237283 1048722923 /nfs/dbraw/zinc/72/29/23/1048722923.db2.gz BEYGKVPTURJCHM-TUKIKUTGSA-N 1 0 331.378 4.003 20 10 EICDRO CC[C@@H]([NH2+]C[C@]1(CC)OCCc2ccccc21)c1ccccc1O ZINC000810243556 1048727660 /nfs/dbraw/zinc/72/76/60/1048727660.db2.gz QDWPQAHOCOQVJO-CTNGQTDRSA-N 1 0 325.452 4.311 20 10 EICDRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1cc(Cl)ccc1O ZINC000810253479 1048731537 /nfs/dbraw/zinc/73/15/37/1048731537.db2.gz VBNDFHLCELRAGS-PIGZYNQJSA-N 1 0 337.872 4.246 20 10 EICDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000810254263 1048732521 /nfs/dbraw/zinc/73/25/21/1048732521.db2.gz LDDJBIHSFHTFGB-SJORKVTESA-N 1 0 335.511 4.195 20 10 EICDRO c1cc2c(c(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c1)CCC2 ZINC000845926395 1048764652 /nfs/dbraw/zinc/76/46/52/1048764652.db2.gz ZCXNHORBMHUSMK-UHFFFAOYSA-N 1 0 338.520 4.018 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000845972344 1048773037 /nfs/dbraw/zinc/77/30/37/1048773037.db2.gz NFTSUWFQBVAOEW-JTQLQIEISA-N 1 0 343.320 4.410 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@H](C)CSc2ccccc2)cc1OC ZINC000846000999 1048782247 /nfs/dbraw/zinc/78/22/47/1048782247.db2.gz YEEADKGLOCOVIP-CQSZACIVSA-N 1 0 347.480 4.022 20 10 EICDRO CCOCc1cc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)ccc1OC ZINC000846040258 1048803211 /nfs/dbraw/zinc/80/32/11/1048803211.db2.gz XCXHCGWOTRHEGP-SJORKVTESA-N 1 0 329.843 4.026 20 10 EICDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054518 1048808970 /nfs/dbraw/zinc/80/89/70/1048808970.db2.gz DCKSUWQEPZCFHG-LBPRGKRZSA-N 1 0 329.831 4.033 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC2CC2)c1O ZINC000846151223 1048824638 /nfs/dbraw/zinc/82/46/38/1048824638.db2.gz VRGHFLPBYRRASH-OAHLLOKOSA-N 1 0 341.451 4.349 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1O ZINC000846152366 1048824705 /nfs/dbraw/zinc/82/47/05/1048824705.db2.gz ATUOKKODVOXZHT-LKWXMQFFSA-N 1 0 327.424 4.005 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1O ZINC000846152613 1048824735 /nfs/dbraw/zinc/82/47/35/1048824735.db2.gz AWTVFYKXQRFMKE-WTOJCKNJSA-N 1 0 349.858 4.481 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)c1O ZINC000846155715 1048824840 /nfs/dbraw/zinc/82/48/40/1048824840.db2.gz VPNIPIBLDJUZDQ-SJKOYZFVSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1O ZINC000846159671 1048825528 /nfs/dbraw/zinc/82/55/28/1048825528.db2.gz MAXAMQGUIFYZMY-MLGOLLRUSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1O ZINC000846159667 1048826341 /nfs/dbraw/zinc/82/63/41/1048826341.db2.gz MAXAMQGUIFYZMY-BLLLJJGKSA-N 1 0 331.387 4.104 20 10 EICDRO CC(C)c1nc(CC[NH2+]Cc2ccc3ccccc3c2O)cs1 ZINC000816545144 1048827328 /nfs/dbraw/zinc/82/73/28/1048827328.db2.gz GDVOSPVPFYBBRO-UHFFFAOYSA-N 1 0 326.465 4.458 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000846161966 1048827537 /nfs/dbraw/zinc/82/75/37/1048827537.db2.gz DFHKIFGMBLDSSI-CRFBAAHOSA-N 1 0 345.414 4.111 20 10 EICDRO COC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846168524 1048827926 /nfs/dbraw/zinc/82/79/26/1048827926.db2.gz JWPBVDIGIKRLRF-ZFWWWQNUSA-N 1 0 349.858 4.135 20 10 EICDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170390 1048828332 /nfs/dbraw/zinc/82/83/32/1048828332.db2.gz KDHLJHZARYQKBM-LRDDRELGSA-N 1 0 335.831 4.093 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1O ZINC000846172330 1048829642 /nfs/dbraw/zinc/82/96/42/1048829642.db2.gz LEZOGOCNKLZMGL-HOTGVXAUSA-N 1 0 342.483 4.057 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141625 1048830172 /nfs/dbraw/zinc/83/01/72/1048830172.db2.gz LAMPGWRNGVRJGD-LRDDRELGSA-N 1 0 331.387 4.104 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1O ZINC000846143674 1048831346 /nfs/dbraw/zinc/83/13/46/1048831346.db2.gz FPJJSYJMTMRCJX-HOCLYGCPSA-N 1 0 333.428 4.058 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2COC(C)C)c1O ZINC000846142292 1048831453 /nfs/dbraw/zinc/83/14/53/1048831453.db2.gz DLOJYZDTUNFUSB-OAHLLOKOSA-N 1 0 329.440 4.177 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1O ZINC000846143382 1048831527 /nfs/dbraw/zinc/83/15/27/1048831527.db2.gz FCLXCVJQNANVFR-QRWLVFNGSA-N 1 0 341.451 4.219 20 10 EICDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206702 1048832869 /nfs/dbraw/zinc/83/28/69/1048832869.db2.gz GHSJPOMLHHLCQC-UXHICEINSA-N 1 0 349.478 4.459 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)c1O ZINC000846144147 1048833261 /nfs/dbraw/zinc/83/32/61/1048833261.db2.gz GEKIUKPGGUMXIT-DYVFJYSZSA-N 1 0 348.874 4.008 20 10 EICDRO CC(C)(CO)[C@H](C[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816558220 1048833966 /nfs/dbraw/zinc/83/39/66/1048833966.db2.gz RDHHAELFIABCFL-OAQYLSRUSA-N 1 0 349.474 4.437 20 10 EICDRO Oc1c(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc2ccccc21 ZINC000816561713 1048835683 /nfs/dbraw/zinc/83/56/83/1048835683.db2.gz ITYKYZJCRFTLCW-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO Oc1c(C[NH2+]Cc2ccccc2-n2cccn2)ccc2ccccc21 ZINC000816563644 1048836044 /nfs/dbraw/zinc/83/60/44/1048836044.db2.gz FNLGOXGHTJJVOK-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1OC ZINC000816630832 1048838588 /nfs/dbraw/zinc/83/85/88/1048838588.db2.gz SYJIQFVVWPXIMW-HXUWFJFHSA-N 1 0 339.435 4.137 20 10 EICDRO c1ccc([C@@H]2[N@H+](Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630502 1048840481 /nfs/dbraw/zinc/84/04/81/1048840481.db2.gz GKERGJXPQAQHQV-QFIPXVFZSA-N 1 0 348.490 4.250 20 10 EICDRO COc1cccc(C2(C[NH2+]Cc3ccc4ccccc4c3O)CC2)c1 ZINC000816614086 1048843953 /nfs/dbraw/zinc/84/39/53/1048843953.db2.gz MKLLYRSNBMJMAX-UHFFFAOYSA-N 1 0 333.431 4.375 20 10 EICDRO Oc1c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc2ccccc21 ZINC000816617184 1048845812 /nfs/dbraw/zinc/84/58/12/1048845812.db2.gz QGCXGGPMQUDHOX-QGZVFWFLSA-N 1 0 336.410 4.053 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000816667818 1048854025 /nfs/dbraw/zinc/85/40/25/1048854025.db2.gz XSGWBGCHNWVBGW-QFIPXVFZSA-N 1 0 338.495 4.060 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000817407703 1048965554 /nfs/dbraw/zinc/96/55/54/1048965554.db2.gz YVTOEULBJVHXDJ-KRWDZBQOSA-N 1 0 336.479 4.251 20 10 EICDRO COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)c(F)c1 ZINC000817573138 1049004890 /nfs/dbraw/zinc/00/48/90/1049004890.db2.gz BNLMIUOFEHSYSA-FQEVSTJZSA-N 1 0 327.399 4.010 20 10 EICDRO COc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000817576245 1049006503 /nfs/dbraw/zinc/00/65/03/1049006503.db2.gz OLPXJBIWNUBCQZ-HXUWFJFHSA-N 1 0 328.431 4.141 20 10 EICDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817585519 1049013455 /nfs/dbraw/zinc/01/34/55/1049013455.db2.gz FVKYEFCRKHKOHG-SFHVURJKSA-N 1 0 330.516 4.413 20 10 EICDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2O ZINC000817968109 1049071500 /nfs/dbraw/zinc/07/15/00/1049071500.db2.gz PDCCCJVTRBPQAN-NVGVWMPQSA-N 1 0 326.415 4.329 20 10 EICDRO CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1O ZINC000817976333 1049075382 /nfs/dbraw/zinc/07/53/82/1049075382.db2.gz XVADVCAAQKEOIO-IRXDYDNUSA-N 1 0 326.440 4.318 20 10 EICDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974854 1049075831 /nfs/dbraw/zinc/07/58/31/1049075831.db2.gz GRHBIOKLGIQPHP-IFXJQAMLSA-N 1 0 339.483 4.288 20 10 EICDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2O ZINC000817977460 1049076814 /nfs/dbraw/zinc/07/68/14/1049076814.db2.gz KRLDAJKMKOYBGW-SJCJKPOMSA-N 1 0 326.415 4.228 20 10 EICDRO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984848 1049081229 /nfs/dbraw/zinc/08/12/29/1049081229.db2.gz AVLNCICQBUVZJD-AWEZNQCLSA-N 1 0 329.271 4.050 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(F)ccc3F)C2)cc1 ZINC000818116676 1049090449 /nfs/dbraw/zinc/09/04/49/1049090449.db2.gz OIKMUUGPZLUGTC-GJZGRUSLSA-N 1 0 346.421 4.151 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccc3F)C2)cc1 ZINC000818116887 1049090969 /nfs/dbraw/zinc/09/09/69/1049090969.db2.gz RCYPDWWPVJLWPE-CVEARBPZSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(F)c(F)c3)C2)cc1 ZINC000818117190 1049091169 /nfs/dbraw/zinc/09/11/69/1049091169.db2.gz VXGXXIVMBXFJNT-HUUCEWRRSA-N 1 0 346.421 4.151 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811519455 1049105187 /nfs/dbraw/zinc/10/51/87/1049105187.db2.gz XWTNQVGETYERRW-UXHICEINSA-N 1 0 328.500 4.066 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3sccc3Cl)C2)cc1 ZINC000818221943 1049113454 /nfs/dbraw/zinc/11/34/54/1049113454.db2.gz PMEUFFZNWIIMFH-ZDUSSCGKSA-N 1 0 336.888 4.026 20 10 EICDRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000818342717 1049135949 /nfs/dbraw/zinc/13/59/49/1049135949.db2.gz UVLGOCSMYNTEAQ-JKSUJKDBSA-N 1 0 328.456 4.028 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccs1 ZINC000818345764 1049138766 /nfs/dbraw/zinc/13/87/66/1049138766.db2.gz XQOGUCHDFCBHFJ-QAPCUYQASA-N 1 0 330.497 4.324 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4sccc43)C2)cc1 ZINC000818344351 1049139365 /nfs/dbraw/zinc/13/93/65/1049139365.db2.gz LYUKLFLITSXYKT-KXBFYZLASA-N 1 0 342.508 4.250 20 10 EICDRO Fc1cc(F)c2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001171337534 1049371955 /nfs/dbraw/zinc/37/19/55/1049371955.db2.gz SFDSDIHOYVLWKM-GOSISDBHSA-N 1 0 342.433 4.212 20 10 EICDRO CC(C)[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@@H]1CCOC1 ZINC000812290221 1049415951 /nfs/dbraw/zinc/41/59/51/1049415951.db2.gz BJEHUHUCOFTUOI-OAHLLOKOSA-N 1 0 325.408 4.291 20 10 EICDRO COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(O)cc1C ZINC000812297098 1049433335 /nfs/dbraw/zinc/43/33/35/1049433335.db2.gz GRRHGQKPQLOOLI-KGLIPLIRSA-N 1 0 331.378 4.262 20 10 EICDRO Oc1ccc2ccncc2c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000747799099 1049533886 /nfs/dbraw/zinc/53/38/86/1049533886.db2.gz ZDPVERDQKVEBGE-UHFFFAOYSA-N 1 0 340.467 4.254 20 10 EICDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000812755452 1049566713 /nfs/dbraw/zinc/56/67/13/1049566713.db2.gz WJCRWOIHQFTJFP-UHFFFAOYSA-N 1 0 342.458 4.360 20 10 EICDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118851 1049591171 /nfs/dbraw/zinc/59/11/71/1049591171.db2.gz QMHNOJUQJRXRKQ-WMLDXEAASA-N 1 0 344.421 4.031 20 10 EICDRO Nc1cc(NCc2cc3ccccc3cc2O)[nH+]cc1C(F)(F)F ZINC001171399767 1049618402 /nfs/dbraw/zinc/61/84/02/1049618402.db2.gz LBNKCUWCGWGDDE-UHFFFAOYSA-N 1 0 333.313 4.154 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)Cc1ccco1)c1cc(Br)ccc1O ZINC000036993969 1049653020 /nfs/dbraw/zinc/65/30/20/1049653020.db2.gz PBYPNKWCROGHHQ-IAQYHMDHSA-N 1 0 338.245 4.420 20 10 EICDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1ccccc1O ZINC000037000697 1049654475 /nfs/dbraw/zinc/65/44/75/1049654475.db2.gz BBONWJHEQTWWEB-CHWSQXEVSA-N 1 0 334.257 4.437 20 10 EICDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(C)c2)C12CCC2 ZINC001170981813 1049743949 /nfs/dbraw/zinc/74/39/49/1049743949.db2.gz SPTHXBWZCLZYPO-VQTJNVASSA-N 1 0 328.500 4.033 20 10 EICDRO Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001171560657 1049756375 /nfs/dbraw/zinc/75/63/75/1049756375.db2.gz VIULXMILYAOFPX-MRXNPFEDSA-N 1 0 346.268 4.110 20 10 EICDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001171560323 1049757014 /nfs/dbraw/zinc/75/70/14/1049757014.db2.gz RDDUWGUMTOULER-INIZCTEOSA-N 1 0 346.268 4.110 20 10 EICDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000179878840 1049787429 /nfs/dbraw/zinc/78/74/29/1049787429.db2.gz IDDXMWUJTSVODW-UHFFFAOYSA-N 1 0 329.827 4.141 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963685 1049815580 /nfs/dbraw/zinc/81/55/80/1049815580.db2.gz VHXXNSMFWWZJSV-KUHUBIRLSA-N 1 0 328.431 4.456 20 10 EICDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001171960855 1049824438 /nfs/dbraw/zinc/82/44/38/1049824438.db2.gz KLEJNRIZQIHPCT-CQSZACIVSA-N 1 0 336.401 4.492 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1CCOCC1 ZINC000823996777 1049892632 /nfs/dbraw/zinc/89/26/32/1049892632.db2.gz OWECZIHNPPZVEP-INIZCTEOSA-N 1 0 344.524 4.289 20 10 EICDRO COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2O)ccc1OCC(C)C ZINC000180427823 1049897289 /nfs/dbraw/zinc/89/72/89/1049897289.db2.gz KKHFETZQSXNQFZ-AWEZNQCLSA-N 1 0 347.430 4.426 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000824113561 1049901227 /nfs/dbraw/zinc/90/12/27/1049901227.db2.gz JFDUVNYNMRXEEC-UHFFFAOYSA-N 1 0 330.859 4.326 20 10 EICDRO Oc1c(CNc2cc[nH+]c(C3CC3)c2)cc(Cl)c2cccnc12 ZINC001168525834 1050008764 /nfs/dbraw/zinc/00/87/64/1050008764.db2.gz MKUVPWBGWVZUPD-UHFFFAOYSA-N 1 0 325.799 4.478 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325886 1050099188 /nfs/dbraw/zinc/09/91/88/1050099188.db2.gz VRMNMOLDAKYVJV-AUUYWEPGSA-N 1 0 328.431 4.456 20 10 EICDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001177209671 1050163208 /nfs/dbraw/zinc/16/32/08/1050163208.db2.gz QGZSXEBBIOXNBK-IEBWSBKVSA-N 1 0 348.506 4.357 20 10 EICDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921383 1050234409 /nfs/dbraw/zinc/23/44/09/1050234409.db2.gz PNMCPEXFMKWRTE-SFHVURJKSA-N 1 0 340.423 4.070 20 10 EICDRO COc1ccc(N2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)cc1 ZINC001177605047 1050263995 /nfs/dbraw/zinc/26/39/95/1050263995.db2.gz YPELSCNHEFLAAF-UHFFFAOYSA-N 1 0 330.516 4.470 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2C)cc1 ZINC001177799968 1050305096 /nfs/dbraw/zinc/30/50/96/1050305096.db2.gz PAUVHYGZYLNWOZ-JOCHJYFZSA-N 1 0 340.511 4.445 20 10 EICDRO COc1ccc(C[NH2+]CCCc2cccc(Br)c2)cc1C ZINC001177844890 1050314552 /nfs/dbraw/zinc/31/45/52/1050314552.db2.gz WJOQELFHKGTLSQ-UHFFFAOYSA-N 1 0 348.284 4.489 20 10 EICDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Oc1ccccc1Cl ZINC001177948978 1050346115 /nfs/dbraw/zinc/34/61/15/1050346115.db2.gz MTZAWJMFYVQYLH-MRXNPFEDSA-N 1 0 331.843 4.222 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC001178496943 1050470202 /nfs/dbraw/zinc/47/02/02/1050470202.db2.gz QFYIOCFHGQFJAK-UHFFFAOYSA-N 1 0 344.402 4.011 20 10 EICDRO CCC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC001178634661 1050522767 /nfs/dbraw/zinc/52/27/67/1050522767.db2.gz QDMOQDQKWHGBEL-AZUAARDMSA-N 1 0 348.437 4.023 20 10 EICDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC001178754467 1050543614 /nfs/dbraw/zinc/54/36/14/1050543614.db2.gz OMTTWTAKUWZIGM-GOSISDBHSA-N 1 0 330.497 4.042 20 10 EICDRO CCCN(Cc1nc2ccc(F)cc2s1)c1ccc(C[NH3+])cc1 ZINC000775140169 1050605046 /nfs/dbraw/zinc/60/50/46/1050605046.db2.gz JRBAYOWFLHXUJO-UHFFFAOYSA-N 1 0 329.444 4.311 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(F)c(Cl)c3)C2)cc1 ZINC001179002300 1050608409 /nfs/dbraw/zinc/60/84/09/1050608409.db2.gz LFIUCVNGJXIAHU-HNNXBMFYSA-N 1 0 348.849 4.104 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000773809395 1050661494 /nfs/dbraw/zinc/66/14/94/1050661494.db2.gz CQXYSFHWKZNQGX-QFIPXVFZSA-N 1 0 338.495 4.400 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000182458007 1050672570 /nfs/dbraw/zinc/67/25/70/1050672570.db2.gz AQDXHAWRXOTQEK-LLVKDONJSA-N 1 0 346.477 4.437 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)c(OC)c1 ZINC001179789004 1050778524 /nfs/dbraw/zinc/77/85/24/1050778524.db2.gz LCKGINCRTYGJFT-MWWKQMNYSA-N 1 0 340.467 4.134 20 10 EICDRO CCc1cccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1O ZINC001179849449 1050795517 /nfs/dbraw/zinc/79/55/17/1050795517.db2.gz DXYIVUROARMZOR-NRFANRHFSA-N 1 0 339.479 4.217 20 10 EICDRO CCS[C@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001179892870 1050803635 /nfs/dbraw/zinc/80/36/35/1050803635.db2.gz VCJJXXSKHLXQEL-LBPRGKRZSA-N 1 0 344.318 4.262 20 10 EICDRO C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC001179877326 1050812588 /nfs/dbraw/zinc/81/25/88/1050812588.db2.gz CSAIVWREVVPJON-AWEZNQCLSA-N 1 0 348.849 4.064 20 10 EICDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)c1O ZINC001179938421 1050824118 /nfs/dbraw/zinc/82/41/18/1050824118.db2.gz URIZLWXQHIWIAR-CQSZACIVSA-N 1 0 333.859 4.426 20 10 EICDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906289 1050830667 /nfs/dbraw/zinc/83/06/67/1050830667.db2.gz WRYAEEPCYAKAFX-CYBMUJFWSA-N 1 0 334.485 4.230 20 10 EICDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001179969928 1050836812 /nfs/dbraw/zinc/83/68/12/1050836812.db2.gz PLZCYWKSARZUHB-MOPGFXCFSA-N 1 0 330.516 4.424 20 10 EICDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H](C)c3nccs3)c2c1 ZINC000182855580 1050853456 /nfs/dbraw/zinc/85/34/56/1050853456.db2.gz YCKBSAXHLJYFLJ-CYBMUJFWSA-N 1 0 342.464 4.246 20 10 EICDRO CCc1cccc(C[N@H+](CCCc2ccccc2)CCOC)c1O ZINC001180029884 1050856666 /nfs/dbraw/zinc/85/66/66/1050856666.db2.gz GZBHBWQWGKKXFK-UHFFFAOYSA-N 1 0 327.468 4.036 20 10 EICDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857880 /nfs/dbraw/zinc/85/78/80/1050857880.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 1 0 336.907 4.132 20 10 EICDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C)cc(OC)cc1O)CCC2 ZINC001180076324 1050874948 /nfs/dbraw/zinc/87/49/48/1050874948.db2.gz FDTCATKNBKSLED-MRXNPFEDSA-N 1 0 346.496 4.238 20 10 EICDRO CN(C)c1ccc(/C=C\C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001180174956 1050894240 /nfs/dbraw/zinc/89/42/40/1050894240.db2.gz PQHVDBIKRPUPSA-WCMNTNLDSA-N 1 0 340.467 4.040 20 10 EICDRO CC(C)[N@H+](CCc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001180153856 1050901940 /nfs/dbraw/zinc/90/19/40/1050901940.db2.gz LZGLGOKMOBXYEI-UHFFFAOYSA-N 1 0 332.438 4.484 20 10 EICDRO Cc1cc(O)c(CN2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001180297365 1050958121 /nfs/dbraw/zinc/95/81/21/1050958121.db2.gz VDHLXSIUUVBOOD-UHFFFAOYSA-N 1 0 344.886 4.062 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC001180393269 1050979498 /nfs/dbraw/zinc/97/94/98/1050979498.db2.gz MXOIDWATUCQMMR-SNAWJCMRSA-N 1 0 349.272 4.253 20 10 EICDRO CCc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1O ZINC001180367759 1050983185 /nfs/dbraw/zinc/98/31/85/1050983185.db2.gz CWNKICZSKGMWPT-UHFFFAOYSA-N 1 0 335.451 4.211 20 10 EICDRO CC[N@H+](CCSc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1 ZINC001180480066 1051001364 /nfs/dbraw/zinc/00/13/64/1051001364.db2.gz WGAGXUAQTGLASI-UHFFFAOYSA-N 1 0 344.524 4.375 20 10 EICDRO C[C@H]([NH2+]Cc1cccc(F)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775258343 1051002255 /nfs/dbraw/zinc/00/22/55/1051002255.db2.gz XXLMLWJJEJNZHT-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccccc1O ZINC000183287821 1051066683 /nfs/dbraw/zinc/06/66/83/1051066683.db2.gz WGSVSRGIIBCXNV-UHFFFAOYSA-N 1 0 343.320 4.104 20 10 EICDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1O ZINC001180874406 1051098833 /nfs/dbraw/zinc/09/88/33/1051098833.db2.gz ZQRYQMAIQLNWNQ-UHFFFAOYSA-N 1 0 343.320 4.061 20 10 EICDRO CCOc1ccc(CC[NH2+][C@@H](C)c2ccccc2O)cc1OCC ZINC000183381166 1051102882 /nfs/dbraw/zinc/10/28/82/1051102882.db2.gz MPUSSRHRUHEMLB-HNNXBMFYSA-N 1 0 329.440 4.083 20 10 EICDRO CCCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183418298 1051115922 /nfs/dbraw/zinc/11/59/22/1051115922.db2.gz XYNLJEKFDNDZEX-HNNXBMFYSA-N 1 0 329.440 4.431 20 10 EICDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccccc1O ZINC000183456304 1051127223 /nfs/dbraw/zinc/12/72/23/1051127223.db2.gz WTSNDUOPWUXOJV-QGZVFWFLSA-N 1 0 335.451 4.170 20 10 EICDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000183466637 1051130526 /nfs/dbraw/zinc/13/05/26/1051130526.db2.gz LLOVQAHOFLFRLS-ZIAGYGMSSA-N 1 0 339.414 4.437 20 10 EICDRO CCOc1cc(CCC[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000183520840 1051146088 /nfs/dbraw/zinc/14/60/88/1051146088.db2.gz GUFGRWNZELAEFB-OAHLLOKOSA-N 1 0 329.440 4.083 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(-c3ccc(C)o3)n2)c1 ZINC000775374923 1051162193 /nfs/dbraw/zinc/16/21/93/1051162193.db2.gz HZQBWWLEFOQNKE-GFCCVEGCSA-N 1 0 344.436 4.277 20 10 EICDRO CCCc1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC001190445251 1051174317 /nfs/dbraw/zinc/17/43/17/1051174317.db2.gz FUHQGYPBKCHRRP-UHFFFAOYSA-N 1 0 338.495 4.360 20 10 EICDRO COC(=O)c1c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c2cc(F)ccc2n1C ZINC001181399741 1051226174 /nfs/dbraw/zinc/22/61/74/1051226174.db2.gz LYMOGEDFJQECOL-CQSZACIVSA-N 1 0 346.446 4.115 20 10 EICDRO CCCN(Cc1cc(C)c(Br)cn1)c1ccc(C[NH3+])cc1 ZINC001181456734 1051231668 /nfs/dbraw/zinc/23/16/68/1051231668.db2.gz NIXQXMQSLLEYPL-UHFFFAOYSA-N 1 0 348.288 4.028 20 10 EICDRO CCN(C)c1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001191060231 1051336775 /nfs/dbraw/zinc/33/67/75/1051336775.db2.gz ZBQZAPKZYHENMG-TZIWHRDSSA-N 1 0 343.559 4.229 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1nccn1-c1ccccc1 ZINC001182184711 1051415428 /nfs/dbraw/zinc/41/54/28/1051415428.db2.gz RSUKDALUZQEPBM-ZDUSSCGKSA-N 1 0 327.815 4.082 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC001182325559 1051499522 /nfs/dbraw/zinc/49/95/22/1051499522.db2.gz APDGFDDFSTXRNB-FQEVSTJZSA-N 1 0 349.540 4.417 20 10 EICDRO CCc1cccc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1O ZINC001182332339 1051506806 /nfs/dbraw/zinc/50/68/06/1051506806.db2.gz BWESDJDMVXGGOZ-AWEZNQCLSA-N 1 0 340.442 4.306 20 10 EICDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CC ZINC001204336184 1051509359 /nfs/dbraw/zinc/50/93/59/1051509359.db2.gz FPVJVCVSRQKAAW-LLVKDONJSA-N 1 0 330.266 4.174 20 10 EICDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001182387810 1051538354 /nfs/dbraw/zinc/53/83/54/1051538354.db2.gz NLLCLAMBXVHROU-LBPRGKRZSA-N 1 0 326.278 4.461 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Cl)ccc1O ZINC000775483070 1051551912 /nfs/dbraw/zinc/55/19/12/1051551912.db2.gz JMWJJWKEIVYDOK-HUUCEWRRSA-N 1 0 338.904 4.451 20 10 EICDRO CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cc(Cl)ccc1O ZINC000775486495 1051559525 /nfs/dbraw/zinc/55/95/25/1051559525.db2.gz CAOBCDINAHQDNR-QGZVFWFLSA-N 1 0 332.831 4.245 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000775492825 1051591517 /nfs/dbraw/zinc/59/15/17/1051591517.db2.gz SUVAPSGMFXLIAK-IUODEOHRSA-N 1 0 348.878 4.165 20 10 EICDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484078 1051611511 /nfs/dbraw/zinc/61/15/11/1051611511.db2.gz OBPCFLGWYJBMSM-IAGOWNOFSA-N 1 0 339.483 4.047 20 10 EICDRO CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccccc1O ZINC000775497825 1051617011 /nfs/dbraw/zinc/61/70/11/1051617011.db2.gz VWBFPZJERCILSC-INIZCTEOSA-N 1 0 327.424 4.139 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Cl)ccc1O ZINC000775497422 1051620506 /nfs/dbraw/zinc/62/05/06/1051620506.db2.gz QGEYJTVLMPBKFW-MRXNPFEDSA-N 1 0 336.838 4.492 20 10 EICDRO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498494 1051622369 /nfs/dbraw/zinc/62/23/69/1051622369.db2.gz MCSFYEBZOSUILU-HNNXBMFYSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Cl)ccc1O ZINC000775503699 1051644831 /nfs/dbraw/zinc/64/48/31/1051644831.db2.gz MRAWVSGMXOVVET-MRXNPFEDSA-N 1 0 332.831 4.115 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1cc(Br)ccc1O ZINC000775508047 1051647222 /nfs/dbraw/zinc/64/72/22/1051647222.db2.gz HFMQNKBJASQITI-BXUZGUMPSA-N 1 0 344.293 4.399 20 10 EICDRO CC(C)c1ccc(O)c(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001182763417 1051687038 /nfs/dbraw/zinc/68/70/38/1051687038.db2.gz GJTKLJPIOUQGDJ-RHSMWYFYSA-N 1 0 333.472 4.210 20 10 EICDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775523772 1051702671 /nfs/dbraw/zinc/70/26/71/1051702671.db2.gz NHGRARGZLLKTLR-HNNXBMFYSA-N 1 0 335.879 4.145 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000775524584 1051710664 /nfs/dbraw/zinc/71/06/64/1051710664.db2.gz RPLCLMPRUBQKPB-FMEYXAORSA-N 1 0 333.859 4.078 20 10 EICDRO Cc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cc1C ZINC001182816389 1051715822 /nfs/dbraw/zinc/71/58/22/1051715822.db2.gz KDRGTVVWJAAQST-UHFFFAOYSA-N 1 0 334.257 4.104 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cc(Cl)ccc1O ZINC000775526903 1051716296 /nfs/dbraw/zinc/71/62/96/1051716296.db2.gz NLZJLBLULFKNCQ-RDJZCZTQSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccccc1O ZINC000775527645 1051720370 /nfs/dbraw/zinc/72/03/70/1051720370.db2.gz RVAGYKFNIBIHJE-GOEBONIOSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccccc1O ZINC000775527642 1051720527 /nfs/dbraw/zinc/72/05/27/1051720527.db2.gz RVAGYKFNIBIHJE-GDBMZVCRSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cc(Br)ccc1O ZINC000775532258 1051746930 /nfs/dbraw/zinc/74/69/30/1051746930.db2.gz ULCAQVMAGQQVJO-DIOULYMOSA-N 1 0 342.277 4.011 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1O ZINC000775531603 1051749534 /nfs/dbraw/zinc/74/95/34/1051749534.db2.gz IKBFGFMPKASVAZ-YJBOKZPZSA-N 1 0 330.859 4.365 20 10 EICDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1O ZINC000775531600 1051750075 /nfs/dbraw/zinc/75/00/75/1051750075.db2.gz IKBFGFMPKASVAZ-CRAIPNDOSA-N 1 0 330.859 4.365 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)c1ccns1 ZINC001183189203 1051802672 /nfs/dbraw/zinc/80/26/72/1051802672.db2.gz RJLHRFNKXYLWJW-AWEZNQCLSA-N 1 0 340.448 4.279 20 10 EICDRO Cc1cc(Br)cc(C[NH+]2CCC(CCF)CC2)c1O ZINC001183249141 1051816688 /nfs/dbraw/zinc/81/66/88/1051816688.db2.gz VSCYCMWWECMNHA-UHFFFAOYSA-N 1 0 330.241 4.035 20 10 EICDRO CC(C)c1ccc(O)c(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001183420150 1051841217 /nfs/dbraw/zinc/84/12/17/1051841217.db2.gz XCZIWOSAFPCCGA-HXUWFJFHSA-N 1 0 347.886 4.252 20 10 EICDRO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000775562575 1051866314 /nfs/dbraw/zinc/86/63/14/1051866314.db2.gz PHGOUXRPUJICRS-HNNXBMFYSA-N 1 0 349.478 4.051 20 10 EICDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC001176036457 1051881042 /nfs/dbraw/zinc/88/10/42/1051881042.db2.gz MPUDCRIJWJXYSS-GCJKJVERSA-N 1 0 336.479 4.106 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1O ZINC001203614295 1052214052 /nfs/dbraw/zinc/21/40/52/1052214052.db2.gz VBXJCDUAPYOLJX-HNNXBMFYSA-N 1 0 331.843 4.434 20 10 EICDRO CCc1ccc([C@H](C[NH2+]Cc2c(C)c3ccccc3n2C)N(C)C)cc1 ZINC001177099278 1052230593 /nfs/dbraw/zinc/23/05/93/1052230593.db2.gz WMHJIFJPQGCAFE-QHCPKHFHSA-N 1 0 349.522 4.442 20 10 EICDRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc2c(cc1O)CCCC2 ZINC000184962437 1052339169 /nfs/dbraw/zinc/33/91/69/1052339169.db2.gz YWCYPASRZDKYJZ-MRXNPFEDSA-N 1 0 347.462 4.308 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC000185003409 1052356851 /nfs/dbraw/zinc/35/68/51/1052356851.db2.gz YQYFNJUDYIBDDF-SFHVURJKSA-N 1 0 338.495 4.058 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)c(O)c1 ZINC000185006562 1052359577 /nfs/dbraw/zinc/35/95/77/1052359577.db2.gz IKFRYMWBINCNNP-HNNXBMFYSA-N 1 0 326.440 4.268 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185032716 1052367584 /nfs/dbraw/zinc/36/75/84/1052367584.db2.gz DGRZGNMZNQTRHD-INIZCTEOSA-N 1 0 347.462 4.308 20 10 EICDRO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185062189 1052388739 /nfs/dbraw/zinc/38/87/39/1052388739.db2.gz UWQPVRJQOYELKX-HNNXBMFYSA-N 1 0 330.447 4.224 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCOCCc2ccccc2)c1 ZINC000185072755 1052392603 /nfs/dbraw/zinc/39/26/03/1052392603.db2.gz UVGHEFZJDQIWHA-SFHVURJKSA-N 1 0 327.468 4.391 20 10 EICDRO COc1ccc(CCC[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000185147304 1052478126 /nfs/dbraw/zinc/47/81/26/1052478126.db2.gz KIEAVUDUJBULMO-OAHLLOKOSA-N 1 0 329.440 4.001 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000185156804 1052494206 /nfs/dbraw/zinc/49/42/06/1052494206.db2.gz YRNPNNKGMUQEPL-HZPDHXFCSA-N 1 0 338.451 4.239 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c(O)c1 ZINC000185245787 1052549526 /nfs/dbraw/zinc/54/95/26/1052549526.db2.gz GCEKYLBHMQMYCH-IAGOWNOFSA-N 1 0 344.524 4.325 20 10 EICDRO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3cc(F)ccc3O)co2)cc1 ZINC000185304476 1052574905 /nfs/dbraw/zinc/57/49/05/1052574905.db2.gz KHRTZTYNHBMKAY-CQSZACIVSA-N 1 0 340.398 4.388 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1O ZINC000185658799 1052666608 /nfs/dbraw/zinc/66/66/08/1052666608.db2.gz HUFIPQAXUWCIJO-TXPKVOOTSA-N 1 0 342.458 4.235 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c(O)c1 ZINC000185721294 1052685934 /nfs/dbraw/zinc/68/59/34/1052685934.db2.gz JPKDHZYTDRGPPD-SUMWQHHRSA-N 1 0 327.449 4.300 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1 ZINC000186055588 1052862047 /nfs/dbraw/zinc/86/20/47/1052862047.db2.gz AXZDCWWSTRMNFV-CQSZACIVSA-N 1 0 327.424 4.183 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850078467 1053068227 /nfs/dbraw/zinc/06/82/27/1053068227.db2.gz WXBAVAJYPNXLPY-UHFFFAOYSA-N 1 0 335.394 4.266 20 10 EICDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775610306 1053091376 /nfs/dbraw/zinc/09/13/76/1053091376.db2.gz NPMYDRPZODHJIV-GOSISDBHSA-N 1 0 337.822 4.130 20 10 EICDRO COc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850227032 1053091619 /nfs/dbraw/zinc/09/16/19/1053091619.db2.gz WDZSHFBANYLKSL-LJQANCHMSA-N 1 0 340.467 4.334 20 10 EICDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000764463674 1053113677 /nfs/dbraw/zinc/11/36/77/1053113677.db2.gz PAXZECXKFRYBMA-VQIMIIECSA-N 1 0 343.540 4.302 20 10 EICDRO CN(c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1)C1CCCCC1 ZINC000850429498 1053208075 /nfs/dbraw/zinc/20/80/75/1053208075.db2.gz CZBCPAWXNNKDKR-FQEVSTJZSA-N 1 0 338.499 4.277 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccn1 ZINC000850482562 1053251843 /nfs/dbraw/zinc/25/18/43/1053251843.db2.gz PMCUCKKSHZETMG-RYUDHWBXSA-N 1 0 335.245 4.004 20 10 EICDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484172 1053254804 /nfs/dbraw/zinc/25/48/04/1053254804.db2.gz DJEVWMLIHVIMKF-YOEHRIQHSA-N 1 0 342.870 4.149 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1O ZINC000850484899 1053256563 /nfs/dbraw/zinc/25/65/63/1053256563.db2.gz UDAJRRDWZQRPID-HUUCEWRRSA-N 1 0 330.859 4.223 20 10 EICDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)C2)cc1 ZINC000850485841 1053257953 /nfs/dbraw/zinc/25/79/53/1053257953.db2.gz BQFQHHXFEOMSHI-LVFSCSRESA-N 1 0 342.508 4.117 20 10 EICDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc2ccccc2c1O ZINC000850502547 1053262807 /nfs/dbraw/zinc/26/28/07/1053262807.db2.gz WPFZERLBGRBLDE-INIZCTEOSA-N 1 0 347.462 4.391 20 10 EICDRO CSCC1(CC[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000850506117 1053262926 /nfs/dbraw/zinc/26/29/26/1053262926.db2.gz FVSTTZGODMKUPO-LLVKDONJSA-N 1 0 344.318 4.339 20 10 EICDRO CC[C@H]([NH2+]CCc1cnccc1C)c1cc(Br)ccc1O ZINC000850505876 1053265558 /nfs/dbraw/zinc/26/55/58/1053265558.db2.gz BXOMRMGPFFSGAM-INIZCTEOSA-N 1 0 349.272 4.142 20 10 EICDRO COc1cccc(OC)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000850505816 1053266003 /nfs/dbraw/zinc/26/60/03/1053266003.db2.gz YVXGSKCHMICUMT-GFCCVEGCSA-N 1 0 335.831 4.222 20 10 EICDRO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cc(Cl)ccc1O ZINC000850515534 1053272807 /nfs/dbraw/zinc/27/28/07/1053272807.db2.gz YBLPFHBPBXYINI-ROUUACIJSA-N 1 0 349.858 4.483 20 10 EICDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523275 1053281910 /nfs/dbraw/zinc/28/19/10/1053281910.db2.gz FCYFXQBBUKGZMX-AZUAARDMSA-N 1 0 337.463 4.367 20 10 EICDRO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc2ccccc2c1O ZINC000850532476 1053292601 /nfs/dbraw/zinc/29/26/01/1053292601.db2.gz MAOSWSVZWIGYIS-XZOAIXRZSA-N 1 0 333.378 4.010 20 10 EICDRO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(N2CCCCC2)cc1 ZINC000850535009 1053296999 /nfs/dbraw/zinc/29/69/99/1053296999.db2.gz POLFXDCPHGRKRF-INIZCTEOSA-N 1 0 338.499 4.139 20 10 EICDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(Br)ccc1O ZINC000850535825 1053297918 /nfs/dbraw/zinc/29/79/18/1053297918.db2.gz CBWAJLRQTUJDDD-NOZJJQNGSA-N 1 0 334.204 4.241 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1 ZINC000764755711 1053298858 /nfs/dbraw/zinc/29/88/58/1053298858.db2.gz VWSVIRYTTSPOPF-KXBFYZLASA-N 1 0 331.529 4.158 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1O ZINC000850553595 1053306748 /nfs/dbraw/zinc/30/67/48/1053306748.db2.gz ZHGWHWXGTSIVAM-QPUJVOFHSA-N 1 0 334.204 4.097 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)cc1O ZINC000850551474 1053307474 /nfs/dbraw/zinc/30/74/74/1053307474.db2.gz IQEVMHBYYIJIIK-PELKAZGASA-N 1 0 334.204 4.097 20 10 EICDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)n1 ZINC000850552112 1053307506 /nfs/dbraw/zinc/30/75/06/1053307506.db2.gz XAPZHRRTMIWMSC-GOSISDBHSA-N 1 0 338.499 4.059 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(Br)ccc1O ZINC000850553593 1053308003 /nfs/dbraw/zinc/30/80/03/1053308003.db2.gz ZHGWHWXGTSIVAM-PELKAZGASA-N 1 0 334.204 4.097 20 10 EICDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O ZINC000850554583 1053308737 /nfs/dbraw/zinc/30/87/37/1053308737.db2.gz COZGVQVICOPLEG-FVMDXXJSSA-N 1 0 344.213 4.222 20 10 EICDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1 ZINC000850555206 1053309258 /nfs/dbraw/zinc/30/92/58/1053309258.db2.gz NKBYHGCASAKIGA-AGRHKRQWSA-N 1 0 333.859 4.454 20 10 EICDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850557257 1053312490 /nfs/dbraw/zinc/31/24/90/1053312490.db2.gz NOKMBBGUHOINBV-RDJZCZTQSA-N 1 0 340.250 4.473 20 10 EICDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C)cc1O ZINC000850557339 1053312873 /nfs/dbraw/zinc/31/28/73/1053312873.db2.gz WPWAURKMGFUKBW-CEWLAPEOSA-N 1 0 327.468 4.500 20 10 EICDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC000850558584 1053314752 /nfs/dbraw/zinc/31/47/52/1053314752.db2.gz UDNGEKFLZOCXKA-MGPLVRAMSA-N 1 0 326.223 4.083 20 10 EICDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cs1 ZINC000764827368 1053317519 /nfs/dbraw/zinc/31/75/19/1053317519.db2.gz MIZBMLDPQHKAQY-HNNXBMFYSA-N 1 0 329.513 4.335 20 10 EICDRO CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1O ZINC000850565547 1053320301 /nfs/dbraw/zinc/32/03/01/1053320301.db2.gz DCBLNUVHHAMVMM-CYBMUJFWSA-N 1 0 333.806 4.027 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC000850568362 1053322806 /nfs/dbraw/zinc/32/28/06/1053322806.db2.gz WFKZPUDBLRERAB-KRWDZBQOSA-N 1 0 330.516 4.096 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(N2CCCCCC2)cc1 ZINC000850572496 1053327069 /nfs/dbraw/zinc/32/70/69/1053327069.db2.gz KSCGLTNKRLJNKO-SJORKVTESA-N 1 0 326.488 4.212 20 10 EICDRO COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)on1 ZINC000850583221 1053335160 /nfs/dbraw/zinc/33/51/60/1053335160.db2.gz JOGDZLMLQUADRP-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850722254 1053345104 /nfs/dbraw/zinc/34/51/04/1053345104.db2.gz CGLCWHBRWGODTP-UHFFFAOYSA-N 1 0 335.411 4.057 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000764884384 1053357260 /nfs/dbraw/zinc/35/72/60/1053357260.db2.gz ZSTUYWMRJVCHKG-OALUTQOASA-N 1 0 337.511 4.320 20 10 EICDRO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1O ZINC000775648806 1053359270 /nfs/dbraw/zinc/35/92/70/1053359270.db2.gz XXQAFBGNFDGQKX-FQEVSTJZSA-N 1 0 345.870 4.300 20 10 EICDRO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794800229 1053383872 /nfs/dbraw/zinc/38/38/72/1053383872.db2.gz BNERWENPVVABNR-INIZCTEOSA-N 1 0 347.842 4.366 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000794799968 1053384408 /nfs/dbraw/zinc/38/44/08/1053384408.db2.gz AQPYCYJAYFSPBP-CYBMUJFWSA-N 1 0 348.288 4.069 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1O ZINC000794804212 1053396714 /nfs/dbraw/zinc/39/67/14/1053396714.db2.gz UCRPKGGHDHCLEO-NVXWUHKLSA-N 1 0 329.440 4.217 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000775652792 1053399015 /nfs/dbraw/zinc/39/90/15/1053399015.db2.gz UIAXVIQWXFTGGG-OAHLLOKOSA-N 1 0 329.440 4.219 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1O ZINC000794808357 1053403747 /nfs/dbraw/zinc/40/37/47/1053403747.db2.gz AGPXOPQINGMCIY-WMLDXEAASA-N 1 0 345.874 4.069 20 10 EICDRO CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C)cc1O ZINC000794807892 1053417786 /nfs/dbraw/zinc/41/77/86/1053417786.db2.gz MVRBPZLJHXTZCW-FQEVSTJZSA-N 1 0 326.484 4.393 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1O ZINC000794814637 1053423991 /nfs/dbraw/zinc/42/39/91/1053423991.db2.gz HGDVVMLMJCXZMV-IAGOWNOFSA-N 1 0 348.487 4.045 20 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/nfs/dbraw/zinc/44/19/05/1053441905.db2.gz WOLPSNATBWOYTN-JBACZVJFSA-N 1 0 327.468 4.500 20 10 EICDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000794836014 1053473256 /nfs/dbraw/zinc/47/32/56/1053473256.db2.gz RIGXNWOJTJYDJT-XLIONFOSSA-N 1 0 330.516 4.269 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000765304770 1053501073 /nfs/dbraw/zinc/50/10/73/1053501073.db2.gz KQUBUZRHDKLNGX-OAHLLOKOSA-N 1 0 330.497 4.385 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765349442 1053520460 /nfs/dbraw/zinc/52/04/60/1053520460.db2.gz MYBOHQYUJLNFBX-MRXNPFEDSA-N 1 0 342.458 4.415 20 10 EICDRO CN(C)c1ccc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)cc1 ZINC001195968459 1053534713 /nfs/dbraw/zinc/53/47/13/1053534713.db2.gz BFNNTLZMRCDNBS-UHFFFAOYSA-N 1 0 346.515 4.087 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4cc(C)ccc43)CC2)cc1 ZINC000765424534 1053543715 /nfs/dbraw/zinc/54/37/15/1053543715.db2.gz HFYQARZJFBOFJH-QFIPXVFZSA-N 1 0 336.479 4.250 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(N(C)C)cc1 ZINC000765474413 1053559769 /nfs/dbraw/zinc/55/97/69/1053559769.db2.gz NPZZTIWRXDPAHI-LJQANCHMSA-N 1 0 329.463 4.199 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000765484244 1053564673 /nfs/dbraw/zinc/56/46/73/1053564673.db2.gz AKELXNIHMLZGIG-AWEZNQCLSA-N 1 0 328.431 4.068 20 10 EICDRO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)c(F)c1 ZINC000865654630 1053567058 /nfs/dbraw/zinc/56/70/58/1053567058.db2.gz SRNBTLLOGXAJFA-OAHLLOKOSA-N 1 0 344.213 4.051 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2conc2C)cc1 ZINC000865677973 1053569662 /nfs/dbraw/zinc/56/96/62/1053569662.db2.gz QYIUPOFJRCTUNO-UHFFFAOYSA-N 1 0 335.451 4.299 20 10 EICDRO COc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000865701125 1053576434 /nfs/dbraw/zinc/57/64/34/1053576434.db2.gz APPNRINXEKFSLP-NSHDSACASA-N 1 0 334.485 4.314 20 10 EICDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])CC(F)F ZINC000842890011 1053580576 /nfs/dbraw/zinc/58/05/76/1053580576.db2.gz KGGYMFXHMWXKIZ-SFYZADRCSA-N 1 0 340.183 4.236 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)ccc1OC ZINC000865832629 1053603401 /nfs/dbraw/zinc/60/34/01/1053603401.db2.gz UONGBHIGMHCUGM-HZPDHXFCSA-N 1 0 343.389 4.218 20 10 EICDRO COC1CCN(c2ccc(C[N@H+](CCC3CC3)CC3CC3)cc2)CC1 ZINC000852716761 1053603904 /nfs/dbraw/zinc/60/39/04/1053603904.db2.gz RWSDLAQVPABDON-UHFFFAOYSA-N 1 0 342.527 4.314 20 10 EICDRO C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2O ZINC000853239985 1053655580 /nfs/dbraw/zinc/65/55/80/1053655580.db2.gz FDDRXGIEXVMCBE-RNCFNFMXSA-N 1 0 340.320 4.283 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000853243110 1053659444 /nfs/dbraw/zinc/65/94/44/1053659444.db2.gz XTJZSZIDZZLLHW-KBPBESRZSA-N 1 0 327.424 4.138 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000866407856 1053716985 /nfs/dbraw/zinc/71/69/85/1053716985.db2.gz YELRUZJLLDSKDS-WBMJQRKESA-N 1 0 339.357 4.104 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1 ZINC000765574207 1053721829 /nfs/dbraw/zinc/72/18/29/1053721829.db2.gz HORITZRXPHWVAH-SFHVURJKSA-N 1 0 348.494 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c1O ZINC000866479618 1053748058 /nfs/dbraw/zinc/74/80/58/1053748058.db2.gz WAEYHHQVQZNHJP-ZDUSSCGKSA-N 1 0 331.843 4.278 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000121082595 1053752580 /nfs/dbraw/zinc/75/25/80/1053752580.db2.gz RKGCSNFRYBRNMG-RDJZCZTQSA-N 1 0 348.487 4.080 20 10 EICDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(OC)c1OC ZINC000866506975 1053755430 /nfs/dbraw/zinc/75/54/30/1053755430.db2.gz AFXZZVQBBVEHLP-CVEARBPZSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000866508515 1053759612 /nfs/dbraw/zinc/75/96/12/1053759612.db2.gz NRNOQFZDVPUCIB-CJNGLKHVSA-N 1 0 345.439 4.220 20 10 EICDRO CC[C@@H]([NH2+]Cc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866511863 1053761270 /nfs/dbraw/zinc/76/12/70/1053761270.db2.gz UUJMADUDOVNKBF-QGZVFWFLSA-N 1 0 327.403 4.274 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(Br)cc1O ZINC000854226852 1053783909 /nfs/dbraw/zinc/78/39/09/1053783909.db2.gz ROJMRPVLXNTDSK-MGPLVRAMSA-N 1 0 347.256 4.075 20 10 EICDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000765607388 1053799551 /nfs/dbraw/zinc/79/95/51/1053799551.db2.gz DKRZJERKZDPVEJ-LBPRGKRZSA-N 1 0 347.842 4.143 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncc(Br)s2)c(O)c1 ZINC000866619540 1053808642 /nfs/dbraw/zinc/80/86/42/1053808642.db2.gz DMXZXLCWUOZZHZ-SNVBAGLBSA-N 1 0 341.274 4.079 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H]3CSc4ccccc43)CC2)cc1 ZINC000765638789 1053829115 /nfs/dbraw/zinc/82/91/15/1053829115.db2.gz QOQFDXGEEVWINW-IBGZPJMESA-N 1 0 340.492 4.101 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1F ZINC001203457689 1053829618 /nfs/dbraw/zinc/82/96/18/1053829618.db2.gz PEIWHMLYUXPFIR-LJQANCHMSA-N 1 0 334.479 4.253 20 10 EICDRO CC1(C)CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000765644520 1053830996 /nfs/dbraw/zinc/83/09/96/1053830996.db2.gz LWPLDMFXFXKDNO-QGZVFWFLSA-N 1 0 338.442 4.425 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000765666872 1053833690 /nfs/dbraw/zinc/83/36/90/1053833690.db2.gz QWVRAJMFARMMJZ-IBGZPJMESA-N 1 0 327.472 4.014 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1N1CCCCC1 ZINC001197177633 1053847232 /nfs/dbraw/zinc/84/72/32/1053847232.db2.gz SMWSTECTAJXVMM-HJNYFJLDSA-N 1 0 342.527 4.111 20 10 EICDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001197238962 1053859035 /nfs/dbraw/zinc/85/90/35/1053859035.db2.gz KWTFOOTZBAWMGW-OAQYLSRUSA-N 1 0 328.500 4.068 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776814705 1053928235 /nfs/dbraw/zinc/92/82/35/1053928235.db2.gz FPPGYBVAZMLYOD-CYBMUJFWSA-N 1 0 329.749 4.481 20 10 EICDRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833019 1054109657 /nfs/dbraw/zinc/10/96/57/1054109657.db2.gz FSLREQKTZSMHKA-CQSZACIVSA-N 1 0 345.874 4.004 20 10 EICDRO CCn1c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nc2cc(F)ccc21 ZINC000775835622 1054114209 /nfs/dbraw/zinc/11/42/09/1054114209.db2.gz GXECGJSAEYXDLP-CQSZACIVSA-N 1 0 340.446 4.112 20 10 EICDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610372 1054211545 /nfs/dbraw/zinc/21/15/45/1054211545.db2.gz UIDUFMLIPZTGQT-PGRDOPGGSA-N 1 0 338.495 4.451 20 10 EICDRO Brc1cccc(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000123745089 1054250135 /nfs/dbraw/zinc/25/01/35/1054250135.db2.gz HTDMPKMLNDOMCM-UHFFFAOYSA-N 1 0 344.252 4.163 20 10 EICDRO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000123771670 1054275858 /nfs/dbraw/zinc/27/58/58/1054275858.db2.gz HCIVMDYEAZNGGG-SFHVURJKSA-N 1 0 337.511 4.068 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001198900701 1054292804 /nfs/dbraw/zinc/29/28/04/1054292804.db2.gz KFPZWPXOVOHIDU-YVSHKSEASA-N 1 0 349.522 4.193 20 10 EICDRO COc1ccc(C[NH2+]CCC2CCCCC2)cc1Cn1cccn1 ZINC001199227970 1054370391 /nfs/dbraw/zinc/37/03/91/1054370391.db2.gz QLRIIKQJRCAZEN-UHFFFAOYSA-N 1 0 327.472 4.000 20 10 EICDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010362 1054394568 /nfs/dbraw/zinc/39/45/68/1054394568.db2.gz HMJFFTOADAFAJH-LJQANCHMSA-N 1 0 338.451 4.016 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000172474148 1054436392 /nfs/dbraw/zinc/43/63/92/1054436392.db2.gz OEIZQVBKFPFFEQ-OAHLLOKOSA-N 1 0 341.524 4.473 20 10 EICDRO Cc1cnn(CC[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000776004668 1054439787 /nfs/dbraw/zinc/43/97/87/1054439787.db2.gz UNXRDJCBHONPQN-SFHVURJKSA-N 1 0 335.451 4.161 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(CCc3ccccc3)s2)c1 ZINC000858239880 1054445739 /nfs/dbraw/zinc/44/57/39/1054445739.db2.gz VRPQJEFOHYHREO-UHFFFAOYSA-N 1 0 338.476 4.232 20 10 EICDRO CCOCc1cc(C[NH2+]CC(C)(C)C(F)(F)CC)ccc1OC ZINC000858271001 1054451803 /nfs/dbraw/zinc/45/18/03/1054451803.db2.gz SWSUMQPGMNYSKT-UHFFFAOYSA-N 1 0 329.431 4.393 20 10 EICDRO Cc1cc(C[NH2+]Cc2cn(C(C)C)nc2C)c(C)n1-c1ccccc1 ZINC000858293944 1054456166 /nfs/dbraw/zinc/45/61/66/1054456166.db2.gz RUTCAFVJMPUKSI-UHFFFAOYSA-N 1 0 336.483 4.470 20 10 EICDRO c1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001199751571 1054462686 /nfs/dbraw/zinc/46/26/86/1054462686.db2.gz QYAKLFLFRVRVJG-IRLDBZIGSA-N 1 0 337.463 4.269 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000858341353 1054466978 /nfs/dbraw/zinc/46/69/78/1054466978.db2.gz CFXMGBAHYZCQNY-UHFFFAOYSA-N 1 0 333.378 4.238 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343220 1054468874 /nfs/dbraw/zinc/46/88/74/1054468874.db2.gz ZJSDCSOXJSWDBY-OAQYLSRUSA-N 1 0 339.483 4.177 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1C ZINC000873010345 1054476267 /nfs/dbraw/zinc/47/62/67/1054476267.db2.gz DSXZUEYHLBHOOM-UHFFFAOYSA-N 1 0 349.478 4.318 20 10 EICDRO Cc1c(Cl)cccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001199843928 1054477096 /nfs/dbraw/zinc/47/70/96/1054477096.db2.gz SMSNBQQHTSUONO-MRXNPFEDSA-N 1 0 344.886 4.336 20 10 EICDRO CN1CCCc2cc(C[NH2+]Cc3csc(C(F)(F)F)c3)ccc21 ZINC001199823375 1054482937 /nfs/dbraw/zinc/48/29/37/1054482937.db2.gz PMVQYACNIDBGQE-UHFFFAOYSA-N 1 0 340.414 4.439 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000282175621 1054489524 /nfs/dbraw/zinc/48/95/24/1054489524.db2.gz ZAMTZGVCIDUECA-HNNXBMFYSA-N 1 0 348.240 4.077 20 10 EICDRO CC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccc(C)cc1O ZINC000858442785 1054491720 /nfs/dbraw/zinc/49/17/20/1054491720.db2.gz MKJDCKAITQAMCQ-ICSRJNTNSA-N 1 0 329.440 4.138 20 10 EICDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000873148645 1054492196 /nfs/dbraw/zinc/49/21/96/1054492196.db2.gz FYNXOBJBEMINQA-AWEZNQCLSA-N 1 0 340.423 4.481 20 10 EICDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC001199916499 1054494957 /nfs/dbraw/zinc/49/49/57/1054494957.db2.gz DFRSVODNJSWQNA-ONEGZZNKSA-N 1 0 337.442 4.219 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858490530 1054499345 /nfs/dbraw/zinc/49/93/45/1054499345.db2.gz JUZDEMCKRHVVGQ-VXGBXAGGSA-N 1 0 331.287 4.082 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1cc(Cl)ccc1O ZINC000858495452 1054502037 /nfs/dbraw/zinc/50/20/37/1054502037.db2.gz DPRRDCGHQIOJLI-GOSISDBHSA-N 1 0 346.858 4.269 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3Cl)c1O ZINC000858600558 1054532328 /nfs/dbraw/zinc/53/23/28/1054532328.db2.gz XCGDDXNNRVJELS-GFCCVEGCSA-N 1 0 344.842 4.429 20 10 EICDRO COc1ccc(O)c(C[NH2+]CCOc2ccccc2-c2ccccc2)c1 ZINC000776110285 1054549018 /nfs/dbraw/zinc/54/90/18/1054549018.db2.gz NKEVLLCYZRZEQP-UHFFFAOYSA-N 1 0 349.430 4.236 20 10 EICDRO COc1cc(C[NH2+]CC2(CCO)CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001200891196 1054567511 /nfs/dbraw/zinc/56/75/11/1054567511.db2.gz KGODMHIJLGUVDR-UHFFFAOYSA-N 1 0 349.515 4.121 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)cc1OC ZINC000124674252 1054591012 /nfs/dbraw/zinc/59/10/12/1054591012.db2.gz GLDFWLWBLVVTKE-KRWDZBQOSA-N 1 0 327.424 4.055 20 10 EICDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1csc2ccccc21 ZINC000776168843 1054800187 /nfs/dbraw/zinc/80/01/87/1054800187.db2.gz MHVVLJWPBLBZKR-LLVKDONJSA-N 1 0 327.405 4.186 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1OC ZINC000776176639 1054803639 /nfs/dbraw/zinc/80/36/39/1054803639.db2.gz AIPFWFCLDYJAQF-KRWDZBQOSA-N 1 0 327.424 4.040 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000776221265 1054938793 /nfs/dbraw/zinc/93/87/93/1054938793.db2.gz UMQCCAORRTVSND-RFAUZJTJSA-N 1 0 344.213 4.050 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000126446318 1055040976 /nfs/dbraw/zinc/04/09/76/1055040976.db2.gz TXYGWOHKRWHOPQ-QGZVFWFLSA-N 1 0 339.483 4.321 20 10 EICDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)c1ccccc1 ZINC000877507725 1055069248 /nfs/dbraw/zinc/06/92/48/1055069248.db2.gz QUIOJJPQMVJTGO-UHFFFAOYSA-N 1 0 338.495 4.015 20 10 EICDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c(Cl)c1 ZINC000862476118 1055072180 /nfs/dbraw/zinc/07/21/80/1055072180.db2.gz JDPBSEXIPFTVNR-CQSZACIVSA-N 1 0 346.858 4.169 20 10 EICDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000776255725 1055087315 /nfs/dbraw/zinc/08/73/15/1055087315.db2.gz HKQPFCVYJWIGSK-DJJJIMSYSA-N 1 0 349.858 4.228 20 10 EICDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1ccccn1 ZINC000776263475 1055097147 /nfs/dbraw/zinc/09/71/47/1055097147.db2.gz CYNVXFNIATZPKY-NRFANRHFSA-N 1 0 332.447 4.293 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccc2O)c1O ZINC000877757383 1055113675 /nfs/dbraw/zinc/11/36/75/1055113675.db2.gz VULNYWIJHPKRAF-NSHDSACASA-N 1 0 336.229 4.020 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccccc1O ZINC000877757418 1055114101 /nfs/dbraw/zinc/11/41/01/1055114101.db2.gz ZTUGONPRENBRLT-VIFPVBQESA-N 1 0 330.737 4.310 20 10 EICDRO CC[C@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000877756624 1055114272 /nfs/dbraw/zinc/11/42/72/1055114272.db2.gz ZLBDMYRQOPJHAT-LSDHHAIUSA-N 1 0 329.440 4.429 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1O ZINC000877755610 1055115416 /nfs/dbraw/zinc/11/54/16/1055115416.db2.gz HXDGGQOUAOSQCE-MJGOQNOKSA-N 1 0 336.479 4.240 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)nc2)cc1 ZINC000126799398 1055153906 /nfs/dbraw/zinc/15/39/06/1055153906.db2.gz JYYLXHDSZVCCCT-QGZVFWFLSA-N 1 0 340.515 4.235 20 10 EICDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186227813 1055244288 /nfs/dbraw/zinc/24/42/88/1055244288.db2.gz UUDWHDJVEWERSD-CQSZACIVSA-N 1 0 337.467 4.179 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)c2ccccc2O1 ZINC000826042962 1055325586 /nfs/dbraw/zinc/32/55/86/1055325586.db2.gz AIPVWCOQNYYZPK-IAQYHMDHSA-N 1 0 348.240 4.157 20 10 EICDRO Cc1ccc(O)c([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000186342903 1055369959 /nfs/dbraw/zinc/36/99/59/1055369959.db2.gz TYDURJQILOAWGR-INIZCTEOSA-N 1 0 342.508 4.423 20 10 EICDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CCC2 ZINC000765822355 1055741524 /nfs/dbraw/zinc/74/15/24/1055741524.db2.gz ZXMKIUFWMCVJRP-BEFAXECRSA-N 1 0 326.488 4.258 20 10 EICDRO CCN(C)c1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000741753272 1058359439 /nfs/dbraw/zinc/35/94/39/1058359439.db2.gz RHENMOZSSZVZKA-JOCHJYFZSA-N 1 0 338.495 4.088 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C ZINC000742162878 1058542554 /nfs/dbraw/zinc/54/25/54/1058542554.db2.gz ODKZCDPDQCJIDQ-QRWLVFNGSA-N 1 0 329.415 4.110 20 10 EICDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)Oc1ccc(Cl)cc1 ZINC000742388769 1058586684 /nfs/dbraw/zinc/58/66/84/1058586684.db2.gz SBSUZXCBTWAZTK-LLVKDONJSA-N 1 0 326.223 4.256 20 10 EICDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000742374217 1058599269 /nfs/dbraw/zinc/59/92/69/1058599269.db2.gz QVXLOHSQYLKLKO-UXHICEINSA-N 1 0 328.500 4.114 20 10 EICDRO CN(C)c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000742373521 1058600317 /nfs/dbraw/zinc/60/03/17/1058600317.db2.gz YLPACCJXYCWOFZ-UHFFFAOYSA-N 1 0 344.886 4.202 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)CCc2ccc(C)o2)ccc1OC ZINC000742380212 1058604044 /nfs/dbraw/zinc/60/40/44/1058604044.db2.gz MGEDPOSSRXJJRA-HNNXBMFYSA-N 1 0 331.456 4.244 20 10 EICDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000743262365 1058906104 /nfs/dbraw/zinc/90/61/04/1058906104.db2.gz PXNKWNBUUFRCEJ-HXUWFJFHSA-N 1 0 344.886 4.104 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)c2ccc(C)cc2)cc1 ZINC000743839321 1059151341 /nfs/dbraw/zinc/15/13/41/1059151341.db2.gz DGABHQQHPKDKEM-NRFANRHFSA-N 1 0 326.484 4.007 20 10 EICDRO Cc1cc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000744445039 1059510019 /nfs/dbraw/zinc/51/00/19/1059510019.db2.gz SISKXPILLOWNAO-SWLSCSKDSA-N 1 0 345.405 4.150 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1C ZINC000744448844 1059523420 /nfs/dbraw/zinc/52/34/20/1059523420.db2.gz YOHCAETZPWRSTQ-XIKOKIGWSA-N 1 0 337.822 4.008 20 10 EICDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000766361424 1060312783 /nfs/dbraw/zinc/31/27/83/1060312783.db2.gz VZZCOUQVFBUCFB-SOLBZPMBSA-N 1 0 336.495 4.264 20 10 EICDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401595 1060329921 /nfs/dbraw/zinc/32/99/21/1060329921.db2.gz SVEVOCAFTOYRQM-GCJKJVERSA-N 1 0 338.495 4.370 20 10 EICDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCCCCC2)cc1 ZINC000766584906 1060642087 /nfs/dbraw/zinc/64/20/87/1060642087.db2.gz OYOYQYKVIZVKHQ-FGSXEWAUSA-N 1 0 341.543 4.200 20 10 EICDRO C[C@@H]([NH2+]CCc1ccccc1Br)c1ccc(N(C)C)cc1 ZINC001169461225 1060829654 /nfs/dbraw/zinc/82/96/54/1060829654.db2.gz DDKGCWHUALAQCN-CQSZACIVSA-N 1 0 347.300 4.408 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490456 522719000 /nfs/dbraw/zinc/71/90/00/522719000.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 1 0 343.298 4.367 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnc(C)s1)c1cc(Br)ccc1O ZINC000040997430 522888737 /nfs/dbraw/zinc/88/87/37/522888737.db2.gz KXNDWZUSIHTXEV-CYBMUJFWSA-N 1 0 341.274 4.161 20 10 EICDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1O ZINC000529664142 1032519814 /nfs/dbraw/zinc/51/98/14/1032519814.db2.gz DWVJZUNLZOLYSO-HNNXBMFYSA-N 1 0 338.234 4.485 20 10 EICDRO CC(C)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160171797 1018773228 /nfs/dbraw/zinc/77/32/28/1018773228.db2.gz WKMFSLNPBOVBKX-INIZCTEOSA-N 1 0 346.496 4.153 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)cc1 ZINC000246868379 1019092897 /nfs/dbraw/zinc/09/28/97/1019092897.db2.gz CUVAUBMCJKKZEJ-BBTUJRGHSA-N 1 0 340.511 4.348 20 10 EICDRO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(N(C)C)cc1 ZINC000274774209 1019427566 /nfs/dbraw/zinc/42/75/66/1019427566.db2.gz JCXCQVSTDCNIBQ-CYBMUJFWSA-N 1 0 342.874 4.144 20 10 EICDRO Cc1noc(C)c1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000274925005 1019864625 /nfs/dbraw/zinc/86/46/25/1019864625.db2.gz JWIMHHSBVJOIBN-FQEVSTJZSA-N 1 0 336.435 4.461 20 10 EICDRO CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1O ZINC000154925917 1020115001 /nfs/dbraw/zinc/11/50/01/1020115001.db2.gz WVXFZNYVHJGDKT-FQEVSTJZSA-N 1 0 335.451 4.436 20 10 EICDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000155194758 1020335611 /nfs/dbraw/zinc/33/56/11/1020335611.db2.gz YCYYUSJREFYLOG-KXBFYZLASA-N 1 0 340.467 4.161 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Br)ccc1O ZINC000693132466 1020979452 /nfs/dbraw/zinc/97/94/52/1020979452.db2.gz PRECRPXJGODYSM-BXUZGUMPSA-N 1 0 342.277 4.011 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000076275402 1021091018 /nfs/dbraw/zinc/09/10/18/1021091018.db2.gz CEJGNYAMWMUEMC-NSHDSACASA-N 1 0 336.229 4.014 20 10 EICDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255881495 1021706281 /nfs/dbraw/zinc/70/62/81/1021706281.db2.gz UYEXAEJXWAXHKB-UHFFFAOYSA-N 1 0 340.427 4.055 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccsc2Br)c1 ZINC000282318597 1021894272 /nfs/dbraw/zinc/89/42/72/1021894272.db2.gz DYILYWSVVJNJLE-JTQLQIEISA-N 1 0 326.259 4.375 20 10 EICDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C)cc1O ZINC000279947560 1033022077 /nfs/dbraw/zinc/02/20/77/1033022077.db2.gz BNMMPZOIDHGMGX-LJQANCHMSA-N 1 0 335.451 4.342 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1Cc1ccccc1 ZINC000398045529 1022044674 /nfs/dbraw/zinc/04/46/74/1022044674.db2.gz VMJJDFCJCRLBAU-DENIHFKCSA-N 1 0 349.522 4.039 20 10 EICDRO CC[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1O ZINC000376323447 1022171362 /nfs/dbraw/zinc/17/13/62/1022171362.db2.gz IGNRTDSCROPSQR-GOSISDBHSA-N 1 0 330.497 4.159 20 10 EICDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000178204572 1022410848 /nfs/dbraw/zinc/41/08/48/1022410848.db2.gz BEOXOMAPWNCGDY-CYBMUJFWSA-N 1 0 347.553 4.164 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895964 1022419105 /nfs/dbraw/zinc/41/91/05/1022419105.db2.gz OBEOXUMCFHFGLW-IAGOWNOFSA-N 1 0 326.488 4.212 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310905353 1022576855 /nfs/dbraw/zinc/57/68/55/1022576855.db2.gz BUFPZXDHOOSJSS-RYRKJORJSA-N 1 0 342.458 4.093 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc(Br)ccc1O ZINC000312097732 1022638509 /nfs/dbraw/zinc/63/85/09/1022638509.db2.gz SGVDHWIKJPKXDG-PWSUYJOCSA-N 1 0 334.204 4.383 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1nccn1C ZINC000182676542 1022823228 /nfs/dbraw/zinc/82/32/28/1022823228.db2.gz NNLANPKPGIYLRN-HXUWFJFHSA-N 1 0 340.515 4.430 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2ncoc2-c2ccccc2)c1O ZINC000378459762 1022830192 /nfs/dbraw/zinc/83/01/92/1022830192.db2.gz ZKZNABCANHMQSX-UHFFFAOYSA-N 1 0 328.799 4.299 20 10 EICDRO COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000363845164 1022845687 /nfs/dbraw/zinc/84/56/87/1022845687.db2.gz ALQOMXCFFXIRAW-WMLDXEAASA-N 1 0 327.424 4.192 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCCC2)c1 ZINC000363859416 1022862431 /nfs/dbraw/zinc/86/24/31/1022862431.db2.gz FZZOUGMOQYLMMV-VLIAUNLRSA-N 1 0 326.440 4.378 20 10 EICDRO Cc1oc(-c2ccccc2)nc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000363858350 1022864195 /nfs/dbraw/zinc/86/41/95/1022864195.db2.gz DNZVSEPXKMYMGD-ZDUSSCGKSA-N 1 0 340.398 4.388 20 10 EICDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000104863456 1022940109 /nfs/dbraw/zinc/94/01/09/1022940109.db2.gz RYONQVCEGCUWAR-UHFFFAOYSA-N 1 0 329.532 4.031 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208058 1023001901 /nfs/dbraw/zinc/00/19/01/1023001901.db2.gz NSJWNWNQGQRNPL-WMZOPIPTSA-N 1 0 342.458 4.094 20 10 EICDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc2ccccc2c1O ZINC000187889630 1023301414 /nfs/dbraw/zinc/30/14/14/1023301414.db2.gz SYOSEXDXGDJWSV-AOMKIAJQSA-N 1 0 335.447 4.494 20 10 EICDRO Oc1ccc(Cl)cc1C[NH2+]Cc1sccc1Br ZINC000112838195 1023318592 /nfs/dbraw/zinc/31/85/92/1023318592.db2.gz GNSDOKUXSGYRKO-UHFFFAOYSA-N 1 0 332.650 4.159 20 10 EICDRO CC[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccccc1O ZINC000156273326 1023361696 /nfs/dbraw/zinc/36/16/96/1023361696.db2.gz XTFNULMFDKFRJI-FQEVSTJZSA-N 1 0 349.478 4.462 20 10 EICDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccoc1 ZINC000178071049 1023401954 /nfs/dbraw/zinc/40/19/54/1023401954.db2.gz HOOSJXKVFURPEG-ZFWWWQNUSA-N 1 0 336.382 4.201 20 10 EICDRO CC[C@H]([NH2+][C@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1O ZINC000364348809 1023657577 /nfs/dbraw/zinc/65/75/77/1023657577.db2.gz VAXLWORGQMGNES-PBHICJAKSA-N 1 0 337.423 4.114 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)c(O)c1OC ZINC000893014805 1023668934 /nfs/dbraw/zinc/66/89/34/1023668934.db2.gz ZNKIHYITKLNSLE-JTQLQIEISA-N 1 0 339.794 4.053 20 10 EICDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cc(Br)ccc1O ZINC000686516705 1023803927 /nfs/dbraw/zinc/80/39/27/1023803927.db2.gz VUOFYORUYDHURI-OXIQGZBJSA-N 1 0 342.277 4.009 20 10 EICDRO Cc1cc(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1C(C)C ZINC000176118579 1024423035 /nfs/dbraw/zinc/42/30/35/1024423035.db2.gz ODXMLCFOYLLHOS-XMMPIXPASA-N 1 0 345.508 4.193 20 10 EICDRO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Br)cc1O ZINC000756784970 1024785622 /nfs/dbraw/zinc/78/56/22/1024785622.db2.gz REGJUQHVUJPGSN-DIFFPNOSSA-N 1 0 347.256 4.352 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000165437649 1025289553 /nfs/dbraw/zinc/28/95/53/1025289553.db2.gz FNPCJCOMKXLRCH-LIRRHRJNSA-N 1 0 340.471 4.045 20 10 EICDRO COc1ccc(N2CCC([N@H+](C)CCCCC(F)(F)F)CC2)cc1 ZINC000366707970 1025838109 /nfs/dbraw/zinc/83/81/09/1025838109.db2.gz JHDVTMMOJKXSPQ-UHFFFAOYSA-N 1 0 344.421 4.328 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1O ZINC000375657187 1025868346 /nfs/dbraw/zinc/86/83/46/1025868346.db2.gz LEJQAHXXRCQHBG-RBUKOAKNSA-N 1 0 338.451 4.239 20 10 EICDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000157824755 1026064862 /nfs/dbraw/zinc/06/48/62/1026064862.db2.gz PBOKFOBNRXRXIP-KLHJMIIUSA-N 1 0 346.490 4.424 20 10 EICDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1O ZINC000279490424 1026455721 /nfs/dbraw/zinc/45/57/21/1026455721.db2.gz LQEOMWCOCUMHJG-JTQLQIEISA-N 1 0 340.301 4.170 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000112536874 1026726738 /nfs/dbraw/zinc/72/67/38/1026726738.db2.gz PUQHHWBCLJXGDE-CABCVRRESA-N 1 0 346.421 4.213 20 10 EICDRO COc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000108095810 1026793928 /nfs/dbraw/zinc/79/39/28/1026793928.db2.gz KQUYQTKZGUWPIW-UHFFFAOYSA-N 1 0 330.859 4.061 20 10 EICDRO C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1O ZINC001143446334 1026981937 /nfs/dbraw/zinc/98/19/37/1026981937.db2.gz DCAXIQBLFOVBRY-UHFFFAOYSA-N 1 0 329.293 4.062 20 10 EICDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000161403508 1027331931 /nfs/dbraw/zinc/33/19/31/1027331931.db2.gz BMUFXDHSPSPALE-WIYYLYMNSA-N 1 0 338.495 4.104 20 10 EICDRO COc1ccc(N2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)cc1F ZINC001168069352 1027540301 /nfs/dbraw/zinc/54/03/01/1027540301.db2.gz VETHRVHSLJAHFX-IAGOWNOFSA-N 1 0 334.479 4.173 20 10 EICDRO Cc1cc(Br)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1O ZINC000896612273 1027684056 /nfs/dbraw/zinc/68/40/56/1027684056.db2.gz JTMWWLFXGYKADB-INIZCTEOSA-N 1 0 347.256 4.099 20 10 EICDRO Cc1noc(C)c1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367218295 1028591741 /nfs/dbraw/zinc/59/17/41/1028591741.db2.gz RAZZWUZRUASMPK-UHFFFAOYSA-N 1 0 347.462 4.144 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000192737798 1029381324 /nfs/dbraw/zinc/38/13/24/1029381324.db2.gz YRHQMIDFOKQNHK-BZNIZROVSA-N 1 0 333.428 4.428 20 10 EICDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475198306 1029427755 /nfs/dbraw/zinc/42/77/55/1029427755.db2.gz PFZGYSMHNVGDCR-UHFFFAOYSA-N 1 0 338.499 4.345 20 10 EICDRO COc1ccc(O)c(CNc2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000278644296 1029643091 /nfs/dbraw/zinc/64/30/91/1029643091.db2.gz JFCYNWYNSLFTPG-UHFFFAOYSA-N 1 0 349.434 4.213 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000184694662 1030090634 /nfs/dbraw/zinc/09/06/34/1030090634.db2.gz SUSDIDJNOTYYGV-INIZCTEOSA-N 1 0 332.831 4.095 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1O ZINC000373447423 1030193523 /nfs/dbraw/zinc/19/35/23/1030193523.db2.gz DEEMGQOMURYOCM-MLGOLLRUSA-N 1 0 341.386 4.383 20 10 EICDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cc1[O-] ZINC000185857704 1030234699 /nfs/dbraw/zinc/23/46/99/1030234699.db2.gz ZPNVYPZPTZLFPA-LBPRGKRZSA-N 1 0 344.361 4.219 20 10 EICDRO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc2ccccc2c1O ZINC000185878837 1030237968 /nfs/dbraw/zinc/23/79/68/1030237968.db2.gz VMCKVCSDWBQXBU-LIRRHRJNSA-N 1 0 346.430 4.322 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)OC)c1 ZINC000527923438 1030917191 /nfs/dbraw/zinc/91/71/91/1030917191.db2.gz DBCQCTXPDVVGRG-PUECVXPYSA-N 1 0 345.414 4.066 20 10 EICDRO COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)OC)c1 ZINC000527923436 1030918713 /nfs/dbraw/zinc/91/87/13/1030918713.db2.gz DBCQCTXPDVVGRG-NJAPINKUSA-N 1 0 345.414 4.066 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000527936705 1030977416 /nfs/dbraw/zinc/97/74/16/1030977416.db2.gz XNOBCLRVZHRLMT-GWCFXTLKSA-N 1 0 347.768 4.005 20 10 EICDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000179583790 1031224097 /nfs/dbraw/zinc/22/40/97/1031224097.db2.gz ZBQLLBXTWMYRTH-OAHLLOKOSA-N 1 0 328.481 4.107 20 10 EICDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1 ZINC000112541446 1031346994 /nfs/dbraw/zinc/34/69/94/1031346994.db2.gz VZDUARQLLIVBCA-AWEZNQCLSA-N 1 0 347.409 4.003 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(c3ccccc3OC)C2)c1 ZINC000359957829 1031898648 /nfs/dbraw/zinc/89/86/48/1031898648.db2.gz PQRUFCBPVGVUCP-WLYUNCDWSA-N 1 0 327.424 4.006 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000359975288 1031901579 /nfs/dbraw/zinc/90/15/79/1031901579.db2.gz QPTBEQNGHPLEED-VFNWGFHPSA-N 1 0 334.419 4.236 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cc(Cl)ccc1O ZINC000359972787 1031902222 /nfs/dbraw/zinc/90/22/22/1031902222.db2.gz GWCTZWJQOSYEDH-CYBMUJFWSA-N 1 0 341.842 4.297 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc2ccccc2c1O ZINC000248499668 1033860283 /nfs/dbraw/zinc/86/02/83/1033860283.db2.gz MZUQLWXBFUAAJX-PJSUUKDQSA-N 1 0 339.410 4.457 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)c1O ZINC000894186159 1034651385 /nfs/dbraw/zinc/65/13/85/1034651385.db2.gz SBMINBHCLKGISJ-OAHLLOKOSA-N 1 0 329.440 4.347 20 10 EICDRO CCc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000749797621 1034747781 /nfs/dbraw/zinc/74/77/81/1034747781.db2.gz BTEZPMDUZITZSZ-SJORKVTESA-N 1 0 331.500 4.111 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)nc2)c(C(F)(F)F)c1 ZINC000279979438 1035110923 /nfs/dbraw/zinc/11/09/23/1035110923.db2.gz QGVUCGBOXWAXHU-UHFFFAOYSA-N 1 0 343.780 4.110 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1O ZINC000280038348 1035135068 /nfs/dbraw/zinc/13/50/68/1035135068.db2.gz IQLJEVGABRYGLN-HNAYVOBHSA-N 1 0 336.439 4.083 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccc(C)cc1O ZINC000280237011 1035211054 /nfs/dbraw/zinc/21/10/54/1035211054.db2.gz VQKMCVQVAHJXLM-KPFFTGBYSA-N 1 0 327.468 4.296 20 10 EICDRO CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1O ZINC000280284208 1035221515 /nfs/dbraw/zinc/22/15/15/1035221515.db2.gz YSAHHBZVIMFJES-MRXNPFEDSA-N 1 0 344.421 4.016 20 10 EICDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151388073 1035744326 /nfs/dbraw/zinc/74/43/26/1035744326.db2.gz HSYJXVSWGBNWDA-INIZCTEOSA-N 1 0 327.447 4.104 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184768 1035898800 /nfs/dbraw/zinc/89/88/00/1035898800.db2.gz PHPQIXBTWVRHRS-KRWDZBQOSA-N 1 0 347.842 4.400 20 10 EICDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC000761193467 1036005863 /nfs/dbraw/zinc/00/58/63/1036005863.db2.gz FHLZDFRRVYWWON-ZDUSSCGKSA-N 1 0 335.806 4.183 20 10 EICDRO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC000164279292 1036027194 /nfs/dbraw/zinc/02/71/94/1036027194.db2.gz KRXWHAJRSKPFQA-KRWDZBQOSA-N 1 0 327.424 4.055 20 10 EICDRO Cc1c(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cnn1C ZINC000156562553 1036039621 /nfs/dbraw/zinc/03/96/21/1036039621.db2.gz JJBLUILVBBDXGZ-UHFFFAOYSA-N 1 0 343.515 4.319 20 10 EICDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000164493378 1036162650 /nfs/dbraw/zinc/16/26/50/1036162650.db2.gz BASGWCPGKXAATC-QGZVFWFLSA-N 1 0 342.458 4.130 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000170686230 1036775516 /nfs/dbraw/zinc/77/55/16/1036775516.db2.gz ZSEYTMUXYGLKSK-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Br)ccc1O ZINC000229574208 1037260615 /nfs/dbraw/zinc/26/06/15/1037260615.db2.gz RBSUVLHTIODBQV-UKRRQHHQSA-N 1 0 342.277 4.155 20 10 EICDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163599526 1037452547 /nfs/dbraw/zinc/45/25/47/1037452547.db2.gz CMRFXQPMGXUCPU-IIBYNOLFSA-N 1 0 338.520 4.263 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000273424160 1037460713 /nfs/dbraw/zinc/46/07/13/1037460713.db2.gz SYHCXJUPFLDRPD-CYBMUJFWSA-N 1 0 333.403 4.180 20 10 EICDRO Cc1cccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000273485668 1037480413 /nfs/dbraw/zinc/48/04/13/1037480413.db2.gz MHAWRXVOBKACGO-OALUTQOASA-N 1 0 329.415 4.192 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273488025 1037481489 /nfs/dbraw/zinc/48/14/89/1037481489.db2.gz MSTUQWBELLOQGP-KSSFIOAISA-N 1 0 335.806 4.195 20 10 EICDRO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000273591026 1037516248 /nfs/dbraw/zinc/51/62/48/1037516248.db2.gz PDFBAFDNBVAMGB-STQMWFEESA-N 1 0 346.496 4.286 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)c1 ZINC000760896618 1037646378 /nfs/dbraw/zinc/64/63/78/1037646378.db2.gz HHOVADLHCAVEKO-HNNXBMFYSA-N 1 0 341.451 4.182 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)c1 ZINC000760896619 1037647609 /nfs/dbraw/zinc/64/76/09/1037647609.db2.gz HHOVADLHCAVEKO-OAHLLOKOSA-N 1 0 341.451 4.182 20 10 EICDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163616306 1038087817 /nfs/dbraw/zinc/08/78/17/1038087817.db2.gz PARXJYISDBCTNV-QGZVFWFLSA-N 1 0 326.509 4.399 20 10 EICDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCSCC3)cc1)CC2 ZINC000163617552 1038099621 /nfs/dbraw/zinc/09/96/21/1038099621.db2.gz OZOQGCQJWFWUAG-NRFANRHFSA-N 1 0 338.520 4.325 20 10 EICDRO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)CO1 ZINC000924852196 1038485344 /nfs/dbraw/zinc/48/53/44/1038485344.db2.gz CSPRGFKMNZQDAN-UHFFFAOYSA-N 1 0 328.500 4.114 20 10 EICDRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(Br)cc1O ZINC000927033778 1039271741 /nfs/dbraw/zinc/27/17/41/1039271741.db2.gz UICWFTWXFMASEV-FOGDFJRCSA-N 1 0 330.291 4.089 20 10 EICDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Br)cc1O ZINC000757659604 1039980093 /nfs/dbraw/zinc/98/00/93/1039980093.db2.gz XRMCQYIFDQETGI-PWSUYJOCSA-N 1 0 330.291 4.091 20 10 EICDRO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Br)ccc1O ZINC000697702757 1040230602 /nfs/dbraw/zinc/23/06/02/1040230602.db2.gz WVFJORJHRCAHQR-CABZTGNLSA-N 1 0 336.220 4.487 20 10 EICDRO COc1ccc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)c(F)c1 ZINC000479441433 1040347165 /nfs/dbraw/zinc/34/71/65/1040347165.db2.gz VWOWFJAPMRUTIT-CQSZACIVSA-N 1 0 326.415 4.485 20 10 EICDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cncs2)c1O ZINC000903312207 1041014278 /nfs/dbraw/zinc/01/42/78/1041014278.db2.gz UHSOBJRMRYGPEO-UWVGGRQHSA-N 1 0 341.274 4.331 20 10 EICDRO COc1cc(C)cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1O ZINC000894344601 1041938421 /nfs/dbraw/zinc/93/84/21/1041938421.db2.gz VFEMBJBQOYGUEG-QGZVFWFLSA-N 1 0 339.435 4.245 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC000151623204 1042445076 /nfs/dbraw/zinc/44/50/76/1042445076.db2.gz MIZNKRBSEMPXCA-SFHVURJKSA-N 1 0 340.442 4.428 20 10 EICDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000237176661 1042870535 /nfs/dbraw/zinc/87/05/35/1042870535.db2.gz DUNGJSQUQSDSNE-HNNXBMFYSA-N 1 0 331.481 4.227 20 10 EICDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1O ZINC000761498754 1042871282 /nfs/dbraw/zinc/87/12/82/1042871282.db2.gz HACMTTIIGVUIJX-AUUYWEPGSA-N 1 0 346.421 4.238 20 10 EICDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1C(C)C ZINC000766031443 1043072028 /nfs/dbraw/zinc/07/20/28/1043072028.db2.gz UTQRATYKDGPXSP-KRWDZBQOSA-N 1 0 347.499 4.378 20 10 EICDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000785459115 1043112006 /nfs/dbraw/zinc/11/20/06/1043112006.db2.gz NDXNQSQAWAGBAN-UHFFFAOYSA-N 1 0 327.447 4.055 20 10 EICDRO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921928731 1043113703 /nfs/dbraw/zinc/11/37/03/1043113703.db2.gz XTICRGSJVLWCRR-RXVVDRJESA-N 1 0 337.463 4.269 20 10 EICDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727645429 1043255846 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CN(C)c1ccc(C[N@H+](Cc2cc3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000732408652 1043919995 /nfs/dbraw/zinc/91/99/95/1043919995.db2.gz WEHGESHPPQBPIV-UHFFFAOYSA-N 1 0 347.462 4.171 20 10 EICDRO CN(Cc1csc(C(C)(C)C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411227 1043921396 /nfs/dbraw/zinc/92/13/96/1043921396.db2.gz WHEHIXIXQJNVLW-UHFFFAOYSA-N 1 0 347.528 4.017 20 10 EICDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000732486169 1043924240 /nfs/dbraw/zinc/92/42/40/1043924240.db2.gz YRVYXPOFCYMYNC-IBGZPJMESA-N 1 0 341.451 4.363 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]C[C@](C)(O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000732668182 1043982108 /nfs/dbraw/zinc/98/21/08/1043982108.db2.gz CJFKGEUVECRUBB-NRFANRHFSA-N 1 0 333.516 4.238 20 10 EICDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325155 1044187419 /nfs/dbraw/zinc/18/74/19/1044187419.db2.gz AWDJWQZULQEYEB-UHFFFAOYSA-N 1 0 330.447 4.216 20 10 EICDRO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000733329932 1044194065 /nfs/dbraw/zinc/19/40/65/1044194065.db2.gz GTCYJYYPCQWZNL-FQEVSTJZSA-N 1 0 329.532 4.031 20 10 EICDRO CCOCc1cc(C[NH2+]C2CC(C)(c3ccccc3)C2)ccc1OC ZINC000733326402 1044194612 /nfs/dbraw/zinc/19/46/12/1044194612.db2.gz ABBZJBQKPNLKJX-UHFFFAOYSA-N 1 0 339.479 4.442 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000130319474 1044366519 /nfs/dbraw/zinc/36/65/19/1044366519.db2.gz OYSGXWAEKKNSIJ-AWEZNQCLSA-N 1 0 348.849 4.167 20 10 EICDRO C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000704004773 1044373700 /nfs/dbraw/zinc/37/37/00/1044373700.db2.gz LUUWGUFMMCVNPH-HNNXBMFYSA-N 1 0 348.487 4.080 20 10 EICDRO C[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000735079031 1044737303 /nfs/dbraw/zinc/73/73/03/1044737303.db2.gz ZNNNHILZRXHCBD-YLJYHZDGSA-N 1 0 325.452 4.177 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1cc(C)ccc1C ZINC000895634462 1044827384 /nfs/dbraw/zinc/82/73/84/1044827384.db2.gz KDXUJLUCCMLJCY-KRWDZBQOSA-N 1 0 329.440 4.267 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](CC)c2cc(F)ccc2OC)c1O ZINC000922620321 1044848262 /nfs/dbraw/zinc/84/82/62/1044848262.db2.gz QVJVESCHCDAFDH-MRXNPFEDSA-N 1 0 333.403 4.180 20 10 EICDRO Cn1c2ccccc2nc1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000736310620 1044922966 /nfs/dbraw/zinc/92/29/66/1044922966.db2.gz VGGIERIQQOCCJY-UHFFFAOYSA-N 1 0 349.478 4.266 20 10 EICDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc2c(cc1O)CCCC2 ZINC000186610249 1045038157 /nfs/dbraw/zinc/03/81/57/1045038157.db2.gz BJQAMDHYVIPCFP-HNNXBMFYSA-N 1 0 339.479 4.349 20 10 EICDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000738438733 1045060320 /nfs/dbraw/zinc/06/03/20/1045060320.db2.gz BGSAQVUZCQNTIW-FQEVSTJZSA-N 1 0 326.484 4.228 20 10 EICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cc(C)n[nH]2)cc1 ZINC000738431750 1045060941 /nfs/dbraw/zinc/06/09/41/1045060941.db2.gz WQIHEOPAHHBLRX-UHFFFAOYSA-N 1 0 334.467 4.034 20 10 EICDRO COC[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000739872739 1045169532 /nfs/dbraw/zinc/16/95/32/1045169532.db2.gz ZKRQXRMTWSYIOX-HNNXBMFYSA-N 1 0 333.516 4.456 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1F ZINC000740007022 1045174416 /nfs/dbraw/zinc/17/44/16/1045174416.db2.gz QYWUYEUUNFPMJG-UHFFFAOYSA-N 1 0 343.490 4.336 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)c(OC)c2)cc1F ZINC000740003907 1045174880 /nfs/dbraw/zinc/17/48/80/1045174880.db2.gz AYCAJFZYKCROOJ-UHFFFAOYSA-N 1 0 330.447 4.279 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000740014171 1045179345 /nfs/dbraw/zinc/17/93/45/1045179345.db2.gz GFQUSDNFBYHBAP-FQEVSTJZSA-N 1 0 346.540 4.372 20 10 EICDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001168490069 1045229381 /nfs/dbraw/zinc/22/93/81/1045229381.db2.gz HEROVMOWTVRXSW-QGZVFWFLSA-N 1 0 326.459 4.489 20 10 EICDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCO2 ZINC000766028791 1045256940 /nfs/dbraw/zinc/25/69/40/1045256940.db2.gz GBNKOZYTUIHWEZ-HXUWFJFHSA-N 1 0 340.467 4.073 20 10 EICDRO C[C@@H](CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[NH+](C)C ZINC000915303975 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CCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000768132510 1045725015 /nfs/dbraw/zinc/72/50/15/1045725015.db2.gz GKPBBVFMUOBAJA-UHFFFAOYSA-N 1 0 327.472 4.334 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c(O)c1 ZINC000768138154 1045726652 /nfs/dbraw/zinc/72/66/52/1045726652.db2.gz PIFXCWPOGHENMN-IBGZPJMESA-N 1 0 326.440 4.303 20 10 EICDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)c1 ZINC000768199147 1045741542 /nfs/dbraw/zinc/74/15/42/1045741542.db2.gz BZCYQMGYQDVKEX-SFHVURJKSA-N 1 0 327.424 4.055 20 10 EICDRO CCc1oc2ccccc2c1C[N@H+](C)Cc1cccc(OC)c1O ZINC000768207302 1045743120 /nfs/dbraw/zinc/74/31/20/1045743120.db2.gz BHAFSUKVVGGLMA-UHFFFAOYSA-N 1 0 325.408 4.341 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cnc(C3CC3)s2)cc1 ZINC000768208577 1045744018 /nfs/dbraw/zinc/74/40/18/1045744018.db2.gz UIDUWJHAHXBDIP-UHFFFAOYSA-N 1 0 329.513 4.499 20 10 EICDRO Oc1ccc(Br)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000768252269 1045764328 /nfs/dbraw/zinc/76/43/28/1045764328.db2.gz HUTHPPVMWVBHAN-UHFFFAOYSA-N 1 0 338.270 4.381 20 10 EICDRO CN(C)c1ccc(C[N@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000768258195 1045767980 /nfs/dbraw/zinc/76/79/80/1045767980.db2.gz TTYTZYUNPJAAIE-UHFFFAOYSA-N 1 0 327.497 4.251 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000768330528 1045790310 /nfs/dbraw/zinc/79/03/10/1045790310.db2.gz UVBDQDCIEWRKNK-UHFFFAOYSA-N 1 0 342.458 4.073 20 10 EICDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc1OC ZINC000768443075 1045807403 /nfs/dbraw/zinc/80/74/03/1045807403.db2.gz OQUIOWYSTXRRPY-SFHVURJKSA-N 1 0 341.451 4.363 20 10 EICDRO COc1cc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(O)cc1C ZINC000768453447 1045808730 /nfs/dbraw/zinc/80/87/30/1045808730.db2.gz XMDOXLVLAJQSAY-UHFFFAOYSA-N 1 0 347.499 4.269 20 10 EICDRO COc1ccc(C2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)cc1 ZINC000768464904 1045810897 /nfs/dbraw/zinc/81/08/97/1045810897.db2.gz CCKAXZZMAFVSGD-UHFFFAOYSA-N 1 0 341.451 4.097 20 10 EICDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCc1ccccc13)CCCC2 ZINC000768465192 1045811279 /nfs/dbraw/zinc/81/12/79/1045811279.db2.gz YMUKYGAXWSBOKE-UHFFFAOYSA-N 1 0 349.474 4.293 20 10 EICDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768486399 1045814390 /nfs/dbraw/zinc/81/43/90/1045814390.db2.gz JFNSTRLBFONOJW-UHFFFAOYSA-N 1 0 342.458 4.075 20 10 EICDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1O ZINC000768872761 1045850624 /nfs/dbraw/zinc/85/06/24/1045850624.db2.gz IJIVDIFANAZJBC-UHFFFAOYSA-N 1 0 338.363 4.192 20 10 EICDRO CCOc1ccc(O)c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000768938569 1045863091 /nfs/dbraw/zinc/86/30/91/1045863091.db2.gz OERFFCLRKFIKBZ-UHFFFAOYSA-N 1 0 341.451 4.082 20 10 EICDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000768990492 1045868350 /nfs/dbraw/zinc/86/83/50/1045868350.db2.gz GBBYDKLIOWKXPE-RYUDHWBXSA-N 1 0 341.295 4.263 20 10 EICDRO C[N@H+](Cc1cnccn1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000769153808 1045885573 /nfs/dbraw/zinc/88/55/73/1045885573.db2.gz POBJBQZBCQKGSU-UHFFFAOYSA-N 1 0 341.499 4.409 20 10 EICDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)C(C)C ZINC000769153865 1045885875 /nfs/dbraw/zinc/88/58/75/1045885875.db2.gz QRLYOOYAJKBELC-NSHDSACASA-N 1 0 330.266 4.030 20 10 EICDRO CCOc1ccc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c(O)c1 ZINC000769208621 1045893969 /nfs/dbraw/zinc/89/39/69/1045893969.db2.gz MSOCZIDLWUKGND-UHFFFAOYSA-N 1 0 328.456 4.046 20 10 EICDRO CCC[N@H+](Cc1cnc(C)n1-c1ccccc1)Cc1ccccc1O ZINC000769201539 1045894123 /nfs/dbraw/zinc/89/41/23/1045894123.db2.gz WGDGHZRENLQROP-UHFFFAOYSA-N 1 0 335.451 4.299 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1O ZINC000769210195 1045895500 /nfs/dbraw/zinc/89/55/00/1045895500.db2.gz YXIUIKKZIUMHRW-UHFFFAOYSA-N 1 0 328.456 4.046 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)c1O ZINC000769224771 1045895591 /nfs/dbraw/zinc/89/55/91/1045895591.db2.gz ATXXMSMHFZVMCS-UHFFFAOYSA-N 1 0 341.451 4.179 20 10 EICDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1C ZINC000769245780 1045901736 /nfs/dbraw/zinc/90/17/36/1045901736.db2.gz WVGSJZUBDPHKED-TZIWHRDSSA-N 1 0 325.452 4.097 20 10 EICDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c(O)c1 ZINC000769319681 1045921349 /nfs/dbraw/zinc/92/13/49/1045921349.db2.gz WMFYQXYRQCWHPO-GOSISDBHSA-N 1 0 327.424 4.137 20 10 EICDRO Cn1ccc(C[N@H+](Cc2c(O)ccc3ccccc32)C2CCCC2)n1 ZINC000769383801 1045942682 /nfs/dbraw/zinc/94/26/82/1045942682.db2.gz JZWRXTJSVLAKPJ-UHFFFAOYSA-N 1 0 335.451 4.224 20 10 EICDRO COc1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1OC ZINC000769384978 1045946095 /nfs/dbraw/zinc/94/60/95/1045946095.db2.gz RVFBLSZNRPKSQE-UHFFFAOYSA-N 1 0 341.451 4.354 20 10 EICDRO CCOc1cccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1O ZINC000769389661 1045947130 /nfs/dbraw/zinc/94/71/30/1045947130.db2.gz LBAGWXIXTWPNSR-UHFFFAOYSA-N 1 0 329.415 4.310 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000769426760 1045958768 /nfs/dbraw/zinc/95/87/68/1045958768.db2.gz WKNSZZHNKNWYCJ-IBGZPJMESA-N 1 0 329.465 4.081 20 10 EICDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000769462878 1045983614 /nfs/dbraw/zinc/98/36/14/1045983614.db2.gz LHHVMUFHBALTSW-LIRRHRJNSA-N 1 0 329.465 4.079 20 10 EICDRO O=C(C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000769493862 1045993647 /nfs/dbraw/zinc/99/36/47/1045993647.db2.gz XWZVCKJQFDMSJX-KRWDZBQOSA-N 1 0 329.827 4.283 20 10 EICDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000769511894 1046004932 /nfs/dbraw/zinc/00/49/32/1046004932.db2.gz ZOWZCHWUXHNYGR-UHFFFAOYSA-N 1 0 329.827 4.067 20 10 EICDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(O)c1 ZINC000769559701 1046023053 /nfs/dbraw/zinc/02/30/53/1046023053.db2.gz QIXCMLCBAXQHHE-AWEZNQCLSA-N 1 0 333.378 4.059 20 10 EICDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000792894446 1046094818 /nfs/dbraw/zinc/09/48/18/1046094818.db2.gz XKFZRHDJNBDKHP-HOTGVXAUSA-N 1 0 342.483 4.052 20 10 EICDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000792918709 1046106967 /nfs/dbraw/zinc/10/69/67/1046106967.db2.gz CYSUWMGZKRPZCG-UHFFFAOYSA-N 1 0 328.403 4.431 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000792962639 1046117890 /nfs/dbraw/zinc/11/78/90/1046117890.db2.gz IPWZMIMCYGEKOO-UHFFFAOYSA-N 1 0 344.327 4.339 20 10 EICDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(N(C)C)cc1 ZINC000769989437 1046123366 /nfs/dbraw/zinc/12/33/66/1046123366.db2.gz NAIVJRVPSCGYJV-FIKGOQFSSA-N 1 0 325.500 4.095 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c1 ZINC000769989836 1046123581 /nfs/dbraw/zinc/12/35/81/1046123581.db2.gz RBDKMCWVIHSJLY-CQSZACIVSA-N 1 0 326.415 4.225 20 10 EICDRO CN(C)c1ccc(C[NH2+]CCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000792999424 1046123772 /nfs/dbraw/zinc/12/37/72/1046123772.db2.gz ZSNLVXAKDGBLNA-UHFFFAOYSA-N 1 0 328.300 4.204 20 10 EICDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793063142 1046132771 /nfs/dbraw/zinc/13/27/71/1046132771.db2.gz XVRZAVDEXFFIOX-CYBMUJFWSA-N 1 0 337.389 4.359 20 10 EICDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)c(C(F)(F)F)c1 ZINC000793184219 1046166807 /nfs/dbraw/zinc/16/68/07/1046166807.db2.gz KGGRIWVVEBEQEJ-UHFFFAOYSA-N 1 0 344.421 4.066 20 10 EICDRO CCCN(CCC)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000770279176 1046168166 /nfs/dbraw/zinc/16/81/66/1046168166.db2.gz GFIQKRNJDHDJJP-UXHICEINSA-N 1 0 348.556 4.019 20 10 EICDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770320658 1046179108 /nfs/dbraw/zinc/17/91/08/1046179108.db2.gz DVLJVJIUOIELQN-WOJBJXKFSA-N 1 0 342.483 4.214 20 10 EICDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000793232305 1046179469 /nfs/dbraw/zinc/17/94/69/1046179469.db2.gz VKVDNABUTOFPLE-PBHICJAKSA-N 1 0 326.406 4.450 20 10 EICDRO COCCCC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000793232455 1046179617 /nfs/dbraw/zinc/17/96/17/1046179617.db2.gz LZALCMNIDVQZDJ-GOSISDBHSA-N 1 0 329.440 4.048 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000793234233 1046182345 /nfs/dbraw/zinc/18/23/45/1046182345.db2.gz XUBMZCDALCYCHW-LJQANCHMSA-N 1 0 344.474 4.019 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770372676 1046185935 /nfs/dbraw/zinc/18/59/35/1046185935.db2.gz FCANCUDTVJDELP-VQTJNVASSA-N 1 0 337.463 4.308 20 10 EICDRO CN(C)c1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1F ZINC000793343983 1046201256 /nfs/dbraw/zinc/20/12/56/1046201256.db2.gz OXRMFOJHKPGEEB-UHFFFAOYSA-N 1 0 335.854 4.219 20 10 EICDRO C[NH+](C)Cc1ccc(NCc2c(O)cccc2Cl)cc1Cl ZINC000793344734 1046203714 /nfs/dbraw/zinc/20/37/14/1046203714.db2.gz VWFSKFBXBOYBNX-UHFFFAOYSA-N 1 0 325.239 4.373 20 10 EICDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)c(O)c1 ZINC000793387550 1046229438 /nfs/dbraw/zinc/22/94/38/1046229438.db2.gz GNAMEZAFMMHYDB-UHFFFAOYSA-N 1 0 342.222 4.006 20 10 EICDRO COc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)c(O)c1 ZINC000793388674 1046231743 /nfs/dbraw/zinc/23/17/43/1046231743.db2.gz RGQAQRRZIITVIM-UHFFFAOYSA-N 1 0 348.446 4.459 20 10 EICDRO CCOC1(C)CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000793547186 1046282614 /nfs/dbraw/zinc/28/26/14/1046282614.db2.gz SNYCIDMYKTUMHZ-UHFFFAOYSA-N 1 0 335.488 4.089 20 10 EICDRO CC(C)(C)c1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000793580403 1046299740 /nfs/dbraw/zinc/29/97/40/1046299740.db2.gz QEDICFFTPVHVQR-UHFFFAOYSA-N 1 0 339.483 4.425 20 10 EICDRO COc1ccc(O)c(C[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000793609174 1046306720 /nfs/dbraw/zinc/30/67/20/1046306720.db2.gz ZIQCPLTVUFBSDS-UHFFFAOYSA-N 1 0 325.861 4.228 20 10 EICDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(C)c1OC ZINC000796950873 1046319173 /nfs/dbraw/zinc/31/91/73/1046319173.db2.gz UKUDSEZYWUQZMH-HZPDHXFCSA-N 1 0 342.483 4.490 20 10 EICDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000771387624 1046393640 /nfs/dbraw/zinc/39/36/40/1046393640.db2.gz LRJSPAJGWLXEJF-ZACQAIPSSA-N 1 0 334.479 4.282 20 10 EICDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000771891184 1046520747 /nfs/dbraw/zinc/52/07/47/1046520747.db2.gz ZBTAXGPQAGWCBF-PZJWPPBQSA-N 1 0 325.452 4.352 20 10 EICDRO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000771935372 1046528349 /nfs/dbraw/zinc/52/83/49/1046528349.db2.gz PXMNVBULPFJCPX-UHFFFAOYSA-N 1 0 334.467 4.083 20 10 EICDRO CC(C)(COc1ncc(Cl)cc1Cl)[NH2+]Cc1ccccc1O ZINC000771982929 1046540996 /nfs/dbraw/zinc/54/09/96/1046540996.db2.gz UMCHNCNUDYUEBQ-UHFFFAOYSA-N 1 0 341.238 4.041 20 10 EICDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(C)ccc1O ZINC000771984546 1046541732 /nfs/dbraw/zinc/54/17/32/1046541732.db2.gz DFJXITDRIDOWMH-SFHVURJKSA-N 1 0 334.847 4.086 20 10 EICDRO Oc1ccccc1C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000785572044 1046724123 /nfs/dbraw/zinc/72/41/23/1046724123.db2.gz QHENUQIYXMYVCK-ZDUSSCGKSA-N 1 0 336.254 4.091 20 10 EICDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)CCS2 ZINC000786576805 1046849061 /nfs/dbraw/zinc/84/90/61/1046849061.db2.gz BVPMCKDWFRNETK-IBGZPJMESA-N 1 0 342.508 4.396 20 10 EICDRO CC[NH+](CC)Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000786832396 1046872245 /nfs/dbraw/zinc/87/22/45/1046872245.db2.gz XXHQIVQOKWSQGA-UHFFFAOYSA-N 1 0 329.463 4.346 20 10 EICDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCSc1nccs1 ZINC000786816005 1046876082 /nfs/dbraw/zinc/87/60/82/1046876082.db2.gz VEMMLHMEEBPXBZ-JLHYYAGUSA-N 1 0 349.481 4.227 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1cc(Cl)ccc1O ZINC000787023554 1046892345 /nfs/dbraw/zinc/89/23/45/1046892345.db2.gz CTDQFQJJTUIGRZ-ABKXIKBNSA-N 1 0 344.213 4.222 20 10 EICDRO Oc1ccccc1C[N@@H+](Cc1ccc2cnccc2c1)C[C@@H]1CCCO1 ZINC000787047607 1046899018 /nfs/dbraw/zinc/89/90/18/1046899018.db2.gz AQWDCBHIAVDXMD-NRFANRHFSA-N 1 0 348.446 4.122 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2scnc2C2CC2)cc1 ZINC000787069887 1046902178 /nfs/dbraw/zinc/90/21/78/1046902178.db2.gz ZRIUZZFVGBGTMC-UHFFFAOYSA-N 1 0 329.513 4.499 20 10 EICDRO CCCN(Cc1cnc(-c2ccco2)s1)c1ccc(C[NH3+])cc1 ZINC000787290674 1046971307 /nfs/dbraw/zinc/97/13/07/1046971307.db2.gz QGBLEXQPCHVWNC-UHFFFAOYSA-N 1 0 327.453 4.278 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cc(Cl)ccc1O ZINC000788258311 1047146062 /nfs/dbraw/zinc/14/60/62/1047146062.db2.gz HFEXIMJUKHXFDN-HOTGVXAUSA-N 1 0 335.879 4.260 20 10 EICDRO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000806173099 1047156901 /nfs/dbraw/zinc/15/69/01/1047156901.db2.gz WPCSTWHFMFTVJV-OALUTQOASA-N 1 0 330.447 4.183 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000806173097 1047157555 /nfs/dbraw/zinc/15/75/55/1047157555.db2.gz WPCSTWHFMFTVJV-MOPGFXCFSA-N 1 0 330.447 4.183 20 10 EICDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2O ZINC000806176243 1047177776 /nfs/dbraw/zinc/17/77/76/1047177776.db2.gz KESYAIBZVSJFCX-XFBWCDHKSA-N 1 0 349.833 4.446 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000806178019 1047201409 /nfs/dbraw/zinc/20/14/09/1047201409.db2.gz BICDDNXDTCBFTF-CRAIPNDOSA-N 1 0 346.902 4.223 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(O)c1 ZINC000788500755 1047204930 /nfs/dbraw/zinc/20/49/30/1047204930.db2.gz CUUGHFGVALNWRY-MSOLQXFVSA-N 1 0 342.483 4.480 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000788563018 1047225418 /nfs/dbraw/zinc/22/54/18/1047225418.db2.gz JEKRNSSUFZRFIK-DLBZAZTESA-N 1 0 342.458 4.325 20 10 EICDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000788532934 1047231786 /nfs/dbraw/zinc/23/17/86/1047231786.db2.gz WHNBVLVRTZAEOI-UHFFFAOYSA-N 1 0 327.758 4.012 20 10 EICDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)c1ccco1 ZINC000788569314 1047234595 /nfs/dbraw/zinc/23/45/95/1047234595.db2.gz FSCSSPKYDRIATG-IAGOWNOFSA-N 1 0 330.472 4.336 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788578463 1047236061 /nfs/dbraw/zinc/23/60/61/1047236061.db2.gz VABPLEFBWKBCSN-IBGZPJMESA-N 1 0 339.439 4.173 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c(O)c1 ZINC000788603073 1047245851 /nfs/dbraw/zinc/24/58/51/1047245851.db2.gz DSOCHMUSUHUXGB-PBHICJAKSA-N 1 0 348.437 4.241 20 10 EICDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c(O)c1 ZINC000788670130 1047268834 /nfs/dbraw/zinc/26/88/34/1047268834.db2.gz RUWZOAZVFDJNDQ-MRXNPFEDSA-N 1 0 341.451 4.064 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H](O)Cc1ccccc1 ZINC000746762058 1047290674 /nfs/dbraw/zinc/29/06/74/1047290674.db2.gz UJNMUDNTJLJSBZ-UZUQRXQVSA-N 1 0 347.458 4.141 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc(OCC)cc2O)c(C)c1 ZINC000788970662 1047337355 /nfs/dbraw/zinc/33/73/55/1047337355.db2.gz UXQJEKYFQLTZOQ-UHFFFAOYSA-N 1 0 329.440 4.178 20 10 EICDRO CCOC1CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000788971010 1047337971 /nfs/dbraw/zinc/33/79/71/1047337971.db2.gz ZXQIHDYEQIXTEN-UHFFFAOYSA-N 1 0 325.452 4.354 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)OCc2ccccc2)c1 ZINC000789361255 1047409208 /nfs/dbraw/zinc/40/92/08/1047409208.db2.gz GETIIZZWFUBHDT-HOTGVXAUSA-N 1 0 329.440 4.047 20 10 EICDRO Oc1ccc2oc3c(c2c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)CCCC3 ZINC000789510618 1047435671 /nfs/dbraw/zinc/43/56/71/1047435671.db2.gz BBSFUVRJGCWPHG-QFBILLFUSA-N 1 0 341.451 4.161 20 10 EICDRO Cc1cccc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1O ZINC000789756917 1047468889 /nfs/dbraw/zinc/46/88/89/1047468889.db2.gz IXOBJASKXNNHMK-UHFFFAOYSA-N 1 0 346.858 4.040 20 10 EICDRO CCC[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000897926434 1047511016 /nfs/dbraw/zinc/51/10/16/1047511016.db2.gz XOFQTVHEEOYKJB-HXUWFJFHSA-N 1 0 329.440 4.215 20 10 EICDRO CCOc1cccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1O ZINC000790485054 1047595027 /nfs/dbraw/zinc/59/50/27/1047595027.db2.gz YLAFLQHVERHGHZ-UHFFFAOYSA-N 1 0 341.382 4.480 20 10 EICDRO C[C@H](COc1cccc(F)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000918749289 1047639611 /nfs/dbraw/zinc/63/96/11/1047639611.db2.gz RJJKDFKQOPONCZ-QGZVFWFLSA-N 1 0 342.458 4.373 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000918749370 1047639725 /nfs/dbraw/zinc/63/97/25/1047639725.db2.gz URAPEBUXUYNBKJ-UHFFFAOYSA-N 1 0 340.467 4.332 20 10 EICDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000918764129 1047648714 /nfs/dbraw/zinc/64/87/14/1047648714.db2.gz WYODZWUKFBACGU-MRXNPFEDSA-N 1 0 344.886 4.370 20 10 EICDRO CCOCc1cc(C[NH2+]C[C@@H]2CSc3ccccc32)ccc1OC ZINC000824483228 1047874540 /nfs/dbraw/zinc/87/45/40/1047874540.db2.gz JGNFKEDJKCFOIP-QGZVFWFLSA-N 1 0 343.492 4.211 20 10 EICDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cc1OC ZINC000824462592 1047876704 /nfs/dbraw/zinc/87/67/04/1047876704.db2.gz GICRIEJZKPRZRC-SNVBAGLBSA-N 1 0 339.794 4.053 20 10 EICDRO COCc1csc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000824556228 1047883987 /nfs/dbraw/zinc/88/39/87/1047883987.db2.gz MTJXPDCWIPOOTH-UHFFFAOYSA-N 1 0 330.497 4.125 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)cc1 ZINC000808434909 1047899643 /nfs/dbraw/zinc/89/96/43/1047899643.db2.gz GIQYFXRCBUPRAX-UHFFFAOYSA-N 1 0 341.499 4.252 20 10 EICDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c(C)c1OC ZINC000808431361 1047943919 /nfs/dbraw/zinc/94/39/19/1047943919.db2.gz GSBDELIXHQLMNK-LBPRGKRZSA-N 1 0 335.831 4.222 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000808690130 1048039187 /nfs/dbraw/zinc/03/91/87/1048039187.db2.gz JRVKPQOFTZWXSW-GFCCVEGCSA-N 1 0 337.851 4.144 20 10 EICDRO Cc1ccn2cc(C[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)nc2c1 ZINC000808690278 1048040151 /nfs/dbraw/zinc/04/01/51/1048040151.db2.gz CIFHFLBHRSMINT-ZDUSSCGKSA-N 1 0 329.831 4.161 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1O ZINC000808679420 1048048118 /nfs/dbraw/zinc/04/81/18/1048048118.db2.gz ONYJHSRXMMFTAK-XJKSGUPXSA-N 1 0 335.879 4.316 20 10 EICDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000808709178 1048057041 /nfs/dbraw/zinc/05/70/41/1048057041.db2.gz VNHJWTSJROCXHQ-KPZWWZAWSA-N 1 0 337.822 4.051 20 10 EICDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1O ZINC000808715359 1048060507 /nfs/dbraw/zinc/06/05/07/1048060507.db2.gz KFCUEDOSBSRWIW-AUUYWEPGSA-N 1 0 333.859 4.302 20 10 EICDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808719529 1048066200 /nfs/dbraw/zinc/06/62/00/1048066200.db2.gz VERPWFDRTVPUCG-PJIJBLCYSA-N 1 0 333.859 4.435 20 10 EICDRO Cc1cc(O)c(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312006 1048073903 /nfs/dbraw/zinc/07/39/03/1048073903.db2.gz PXMJXEXFQVJEAS-SFHVURJKSA-N 1 0 331.481 4.064 20 10 EICDRO COc1cncc(C[N@H+](Cc2ccccc2O)C2CCCCC2)c1 ZINC000808727313 1048075100 /nfs/dbraw/zinc/07/51/00/1048075100.db2.gz WXPCVUSPPVEGLE-UHFFFAOYSA-N 1 0 326.440 4.131 20 10 EICDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)ccc1N(C)C ZINC000815083741 1048325242 /nfs/dbraw/zinc/32/52/42/1048325242.db2.gz ZKWSZFYBRLARIS-KRWDZBQOSA-N 1 0 334.467 4.098 20 10 EICDRO CCCC[N@H+](Cc1ccnc(Br)c1)Cc1ccccc1O ZINC000815112597 1048326095 /nfs/dbraw/zinc/32/60/95/1048326095.db2.gz VKXDPBBRCOBJNH-UHFFFAOYSA-N 1 0 349.272 4.352 20 10 EICDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000815120743 1048336088 /nfs/dbraw/zinc/33/60/88/1048336088.db2.gz MVRJTJVWLJQYBC-UHFFFAOYSA-N 1 0 328.431 4.114 20 10 EICDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000155186718 1048465805 /nfs/dbraw/zinc/46/58/05/1048465805.db2.gz FKBWEWCMKRBYDX-GOSISDBHSA-N 1 0 326.440 4.372 20 10 EICDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000844725346 1048480642 /nfs/dbraw/zinc/48/06/42/1048480642.db2.gz KYDVGAYYQBNQHQ-UHFFFAOYSA-N 1 0 325.399 4.017 20 10 EICDRO C[C@H](CCc1ccsc1)[NH2+]Cc1cc(Br)ccc1O ZINC000809713656 1048490588 /nfs/dbraw/zinc/49/05/88/1048490588.db2.gz WOHNSCOXUODROZ-LLVKDONJSA-N 1 0 340.286 4.327 20 10 EICDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000809713335 1048491563 /nfs/dbraw/zinc/49/15/63/1048491563.db2.gz MVDKKHDJIYEWIP-UHFFFAOYSA-N 1 0 344.611 4.237 20 10 EICDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809716000 1048497287 /nfs/dbraw/zinc/49/72/87/1048497287.db2.gz PGELWEISHJWUKH-AVRDEDQJSA-N 1 0 336.479 4.106 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1O ZINC000809776573 1048506287 /nfs/dbraw/zinc/50/62/87/1048506287.db2.gz JPOHUMDOGITSHP-INIZCTEOSA-N 1 0 340.250 4.221 20 10 EICDRO Cc1n[nH]cc1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815557679 1048506909 /nfs/dbraw/zinc/50/69/09/1048506909.db2.gz AFJRHVPCCTYIMY-NRFANRHFSA-N 1 0 349.478 4.320 20 10 EICDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000815559097 1048507251 /nfs/dbraw/zinc/50/72/51/1048507251.db2.gz XOHAUONWXPUCKF-SFHVURJKSA-N 1 0 339.479 4.408 20 10 EICDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815560585 1048510137 /nfs/dbraw/zinc/51/01/37/1048510137.db2.gz KNXZVYOEXPTBFR-HNNXBMFYSA-N 1 0 326.440 4.208 20 10 EICDRO COc1cccc(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)c1O ZINC000809740279 1048512246 /nfs/dbraw/zinc/51/22/46/1048512246.db2.gz RZYXBLWQHUPHOX-NSHDSACASA-N 1 0 325.861 4.227 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1O ZINC000809740223 1048513150 /nfs/dbraw/zinc/51/31/50/1048513150.db2.gz QGKFOCCRAGXOMA-UHFFFAOYSA-N 1 0 345.345 4.229 20 10 EICDRO COc1cccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)c1O ZINC000809740343 1048513791 /nfs/dbraw/zinc/51/37/91/1048513791.db2.gz UWEIUAOCNQLKRA-UHFFFAOYSA-N 1 0 329.440 4.116 20 10 EICDRO CCC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815579923 1048520205 /nfs/dbraw/zinc/52/02/05/1048520205.db2.gz YPZBODYLXUBQNK-CTNGQTDRSA-N 1 0 327.468 4.207 20 10 EICDRO C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCCO1 ZINC000815587733 1048524940 /nfs/dbraw/zinc/52/49/40/1048524940.db2.gz RTNYUSLNUVNKDY-FPOVZHCZSA-N 1 0 325.452 4.225 20 10 EICDRO C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCCO1 ZINC000815587732 1048525527 /nfs/dbraw/zinc/52/55/27/1048525527.db2.gz RTNYUSLNUVNKDY-CTNGQTDRSA-N 1 0 325.452 4.225 20 10 EICDRO C[C@@H]1C[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCO1 ZINC000815590533 1048526920 /nfs/dbraw/zinc/52/69/20/1048526920.db2.gz ZBDFGQNTSWSQTA-YFVAEKQCSA-N 1 0 339.479 4.471 20 10 EICDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000815597112 1048531189 /nfs/dbraw/zinc/53/11/89/1048531189.db2.gz MVEKFSFHERHYNM-QGZVFWFLSA-N 1 0 335.451 4.354 20 10 EICDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595065 1048531258 /nfs/dbraw/zinc/53/12/58/1048531258.db2.gz GUTKWTAYITWJIS-PXNSSMCTSA-N 1 0 341.495 4.453 20 10 EICDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815601020 1048532377 /nfs/dbraw/zinc/53/23/77/1048532377.db2.gz LMNNAPRCWZHPFD-SYYKKAFVSA-N 1 0 339.479 4.471 20 10 EICDRO CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(O)c1 ZINC000809789883 1048534629 /nfs/dbraw/zinc/53/46/29/1048534629.db2.gz LNNKJOHWQLMZKC-OKILXGFUSA-N 1 0 331.378 4.344 20 10 EICDRO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815629504 1048552564 /nfs/dbraw/zinc/55/25/64/1048552564.db2.gz FIIIFZYIDHNQEN-KRWDZBQOSA-N 1 0 339.483 4.321 20 10 EICDRO Clc1cccc(OCC[NH2+]Cc2ccc3c(c2)CCO3)c1Cl ZINC000920182024 1048562157 /nfs/dbraw/zinc/56/21/57/1048562157.db2.gz BKOPXTTVUWMNIF-UHFFFAOYSA-N 1 0 338.234 4.097 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1O ZINC000815636122 1048564581 /nfs/dbraw/zinc/56/45/81/1048564581.db2.gz PGINBZSHUYWCFO-LSDHHAIUSA-N 1 0 340.423 4.151 20 10 EICDRO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cc(Cl)ccc1O ZINC000815644497 1048567526 /nfs/dbraw/zinc/56/75/26/1048567526.db2.gz CYGOSMQWIJRSAX-JTQLQIEISA-N 1 0 344.764 4.353 20 10 EICDRO CCOc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)c(O)c1 ZINC000768208154 1048630534 /nfs/dbraw/zinc/63/05/34/1048630534.db2.gz SWFRAVRVOFFCFU-UHFFFAOYSA-N 1 0 335.831 4.085 20 10 EICDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000810135517 1048643346 /nfs/dbraw/zinc/64/33/46/1048643346.db2.gz PAHGUHHRVUOEFG-UHOSZYNNSA-N 1 0 328.500 4.166 20 10 EICDRO CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1O ZINC000810216905 1048686390 /nfs/dbraw/zinc/68/63/90/1048686390.db2.gz RNNNRUMCRDFAAF-HNNXBMFYSA-N 1 0 342.361 4.299 20 10 EICDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810220167 1048687766 /nfs/dbraw/zinc/68/77/66/1048687766.db2.gz RCAXTJNKTUKCHJ-CLWVCHIJSA-N 1 0 343.389 4.265 20 10 EICDRO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810224655 1048691884 /nfs/dbraw/zinc/69/18/84/1048691884.db2.gz XARGMUYPEYPEMU-XUJVJEKNSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O)[C@H]1CCCO1 ZINC000810229145 1048696292 /nfs/dbraw/zinc/69/62/92/1048696292.db2.gz SZWMJZJSVLAIQE-SQWLQELKSA-N 1 0 331.378 4.409 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1O ZINC000810235479 1048701257 /nfs/dbraw/zinc/70/12/57/1048701257.db2.gz QNRHEWUHELONHB-XUJVJEKNSA-N 1 0 331.378 4.267 20 10 EICDRO CC[C@H]([NH2+]CCc1nc(C)cs1)c1ccc(C(F)(F)F)cc1O ZINC000810209997 1048705454 /nfs/dbraw/zinc/70/54/54/1048705454.db2.gz YHZAZEYFLWMAIT-ZDUSSCGKSA-N 1 0 344.402 4.459 20 10 EICDRO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccc(C(F)(F)F)cc1O ZINC000810236749 1048718391 /nfs/dbraw/zinc/71/83/91/1048718391.db2.gz MNACJADWUKHNNC-QPUJVOFHSA-N 1 0 345.390 4.373 20 10 EICDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238002 1048719411 /nfs/dbraw/zinc/71/94/11/1048719411.db2.gz WQWLBLHJFMSTOV-QRTARXTBSA-N 1 0 343.389 4.409 20 10 EICDRO CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(C(F)(F)F)cc1O ZINC000810236448 1048720364 /nfs/dbraw/zinc/72/03/64/1048720364.db2.gz GCBLJACJIZKZCS-AWEZNQCLSA-N 1 0 331.378 4.004 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000810253349 1048730965 /nfs/dbraw/zinc/73/09/65/1048730965.db2.gz RZEZRSWECKJGCS-QRWLVFNGSA-N 1 0 344.524 4.343 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000845971365 1048771278 /nfs/dbraw/zinc/77/12/78/1048771278.db2.gz JEVIFJJNYRWLCS-VIFPVBQESA-N 1 0 331.359 4.332 20 10 EICDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845973140 1048772791 /nfs/dbraw/zinc/77/27/91/1048772791.db2.gz XXYKVKQCGBXRMJ-UVQBRAAOSA-N 1 0 341.451 4.301 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000845971024 1048772920 /nfs/dbraw/zinc/77/29/20/1048772920.db2.gz GOZGMJZTKCOOIL-KADHNRKRSA-N 1 0 342.395 4.063 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)c1 ZINC000845972790 1048773025 /nfs/dbraw/zinc/77/30/25/1048773025.db2.gz ULQHWMMFVXXABN-GVDBMIGSSA-N 1 0 340.467 4.481 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc3ccccc3c2O)cc(OC)c1 ZINC000816489033 1048814562 /nfs/dbraw/zinc/81/45/62/1048814562.db2.gz KKKPXNPRAILSBD-UHFFFAOYSA-N 1 0 337.419 4.195 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000920956913 1048820627 /nfs/dbraw/zinc/82/06/27/1048820627.db2.gz FERLVKRLONMWHS-NRFANRHFSA-N 1 0 326.484 4.136 20 10 EICDRO Oc1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc2ccccc21 ZINC000816535408 1048825145 /nfs/dbraw/zinc/82/51/45/1048825145.db2.gz NTJCGNBXJCAMNE-UHFFFAOYSA-N 1 0 329.403 4.021 20 10 EICDRO Oc1c(C[NH2+]CCCOCCc2ccccc2)ccc2ccccc21 ZINC000816536974 1048825158 /nfs/dbraw/zinc/82/51/58/1048825158.db2.gz PGHJGXCPMPNDEK-UHFFFAOYSA-N 1 0 335.447 4.284 20 10 EICDRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846159897 1048825614 /nfs/dbraw/zinc/82/56/14/1048825614.db2.gz SBBIUBBIVGPUAR-HNNXBMFYSA-N 1 0 328.456 4.416 20 10 EICDRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846159898 1048826353 /nfs/dbraw/zinc/82/63/53/1048826353.db2.gz SBBIUBBIVGPUAR-OAHLLOKOSA-N 1 0 328.456 4.416 20 10 EICDRO Oc1c(C[NH2+]CCCc2nc3ccccc3[nH]2)ccc2ccccc21 ZINC000816542132 1048826583 /nfs/dbraw/zinc/82/65/83/1048826583.db2.gz DNXKWBGMAWAXCM-UHFFFAOYSA-N 1 0 331.419 4.144 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c1O ZINC000846165856 1048826783 /nfs/dbraw/zinc/82/67/83/1048826783.db2.gz OCYLIGLYYZKZKS-RZQQEMMASA-N 1 0 342.483 4.051 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)c1O ZINC000846165055 1048826972 /nfs/dbraw/zinc/82/69/72/1048826972.db2.gz MNUGDFRWXFRVOZ-QUJCMNEKSA-N 1 0 349.858 4.481 20 10 EICDRO COc1ccc(C2(C[NH2+][C@H](C)c3cccc(OC)c3O)CCC2)cc1 ZINC000846166084 1048827081 /nfs/dbraw/zinc/82/70/81/1048827081.db2.gz RRVCIOVAXPIDTP-OAHLLOKOSA-N 1 0 341.451 4.182 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1ccc(OC)c(OC)c1 ZINC000846168415 1048828150 /nfs/dbraw/zinc/82/81/50/1048828150.db2.gz CBOSUDYUCHBAJP-CZUORRHYSA-N 1 0 345.439 4.220 20 10 EICDRO CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1F ZINC000816546739 1048828637 /nfs/dbraw/zinc/82/86/37/1048828637.db2.gz USMXOHMZOATPJB-UHFFFAOYSA-N 1 0 325.383 4.373 20 10 EICDRO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C2CC2)cc1 ZINC000846135536 1048828991 /nfs/dbraw/zinc/82/89/91/1048828991.db2.gz DVIXETSHLOKMAD-BFUOFWGJSA-N 1 0 327.424 4.211 20 10 EICDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000846137558 1048830127 /nfs/dbraw/zinc/83/01/27/1048830127.db2.gz SBOGOHRLHCQBGA-NSHDSACASA-N 1 0 341.329 4.150 20 10 EICDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)c1ccsc1 ZINC000846139816 1048830792 /nfs/dbraw/zinc/83/07/92/1048830792.db2.gz UUKZDJUJKBUGTH-PBHICJAKSA-N 1 0 348.512 4.196 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)c1O ZINC000846139500 1048830856 /nfs/dbraw/zinc/83/08/56/1048830856.db2.gz OEGGVHXAIVZUKU-XHDPSFHLSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@H](C)[NH2+]CCSCc2ccccc2F)c1O ZINC000846138154 1048830876 /nfs/dbraw/zinc/83/08/76/1048830876.db2.gz UAFNDNLNMHKUQR-ZDUSSCGKSA-N 1 0 335.444 4.124 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1O ZINC000846137557 1048830900 /nfs/dbraw/zinc/83/09/00/1048830900.db2.gz SBOGOHRLHCQBGA-LLVKDONJSA-N 1 0 341.329 4.150 20 10 EICDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC2CC2)c1O ZINC000846144680 1048831381 /nfs/dbraw/zinc/83/13/81/1048831381.db2.gz LQJNCPIJTKTWQE-CQSZACIVSA-N 1 0 327.424 4.040 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c1O ZINC000846142672 1048831973 /nfs/dbraw/zinc/83/19/73/1048831973.db2.gz GIOXZIZOQFUIKH-ABAIWWIYSA-N 1 0 333.428 4.428 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1O ZINC000846143676 1048832128 /nfs/dbraw/zinc/83/21/28/1048832128.db2.gz FPJJSYJMTMRCJX-ZBFHGGJFSA-N 1 0 333.428 4.058 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204374 1048832636 /nfs/dbraw/zinc/83/26/36/1048832636.db2.gz ZSOGLYXLTOEMQE-MLGOLLRUSA-N 1 0 345.414 4.493 20 10 EICDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c1O ZINC000846146618 1048832968 /nfs/dbraw/zinc/83/29/68/1048832968.db2.gz SSQIYWLFWWIZKQ-HZUJVAHNSA-N 1 0 341.451 4.219 20 10 EICDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)Oc1ccccc1F ZINC000816554408 1048833642 /nfs/dbraw/zinc/83/36/42/1048833642.db2.gz XXBSQUVEBOJMNO-AWEZNQCLSA-N 1 0 325.383 4.242 20 10 EICDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846208190 1048834199 /nfs/dbraw/zinc/83/41/99/1048834199.db2.gz WSXGIAVRSBMWMW-CQSZACIVSA-N 1 0 334.891 4.160 20 10 EICDRO Cc1noc(C2CCC([NH2+]Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816554966 1048834268 /nfs/dbraw/zinc/83/42/68/1048834268.db2.gz OTDHRGQNKMGBPC-UHFFFAOYSA-N 1 0 337.423 4.053 20 10 EICDRO CC[C@H](OCC[NH2+][C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846183987 1048835198 /nfs/dbraw/zinc/83/51/98/1048835198.db2.gz VURVAJJCGSUTMZ-YJBOKZPZSA-N 1 0 329.440 4.219 20 10 EICDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816560567 1048835473 /nfs/dbraw/zinc/83/54/73/1048835473.db2.gz SPHHZYXPPPXYDF-UHFFFAOYSA-N 1 0 329.440 4.147 20 10 EICDRO CCc1nocc1CN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000816610177 1048843635 /nfs/dbraw/zinc/84/36/35/1048843635.db2.gz AKVSOJSAOJZQTK-UHFFFAOYSA-N 1 0 339.439 4.098 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2scnc2c1 ZINC001144744448 1048850075 /nfs/dbraw/zinc/85/00/75/1048850075.db2.gz VTDNNHAPMMBWGL-UHFFFAOYSA-N 1 0 325.481 4.384 20 10 EICDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1O ZINC000816659346 1048850070 /nfs/dbraw/zinc/85/00/70/1048850070.db2.gz JZRDMFVLUWFWQP-QGZVFWFLSA-N 1 0 347.842 4.098 20 10 EICDRO CCN(C)c1ccc(C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)cc1 ZINC001170837098 1048850323 /nfs/dbraw/zinc/85/03/23/1048850323.db2.gz UPSZQFOLZPLIJJ-UHFFFAOYSA-N 1 0 336.479 4.199 20 10 EICDRO CO/C=C/c1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001170629816 1049012669 /nfs/dbraw/zinc/01/26/69/1049012669.db2.gz IEMVIHIZNRJISH-RMKNXTFCSA-N 1 0 326.484 4.038 20 10 EICDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817947160 1049064807 /nfs/dbraw/zinc/06/48/07/1049064807.db2.gz LXRTUFHBZBKVPL-GYSYKLTISA-N 1 0 331.287 4.128 20 10 EICDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Br)ccc1F ZINC000817956412 1049067311 /nfs/dbraw/zinc/06/73/11/1049067311.db2.gz YPKLUHXHPZCVJB-LLVKDONJSA-N 1 0 337.236 4.064 20 10 EICDRO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000817962343 1049070560 /nfs/dbraw/zinc/07/05/60/1049070560.db2.gz IASUSLIBYRNJHH-RYUDHWBXSA-N 1 0 338.373 4.282 20 10 EICDRO C[C@@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000817970666 1049072682 /nfs/dbraw/zinc/07/26/82/1049072682.db2.gz BRCXHIJMGVLIHG-OPAMFIHVSA-N 1 0 333.479 4.256 20 10 EICDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1[O-] ZINC000817969584 1049073353 /nfs/dbraw/zinc/07/33/53/1049073353.db2.gz XVCFFOJPULIUIW-JTQLQIEISA-N 1 0 337.250 4.153 20 10 EICDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1O ZINC000817975668 1049074744 /nfs/dbraw/zinc/07/47/44/1049074744.db2.gz PRIQVTGHRGYUFJ-ZBEGNZNMSA-N 1 0 330.403 4.067 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985399 1049081243 /nfs/dbraw/zinc/08/12/43/1049081243.db2.gz JUQDYWVUTCYLPZ-DOMZBBRYSA-N 1 0 343.298 4.414 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccc3F)C2)cc1 ZINC000818116890 1049090727 /nfs/dbraw/zinc/09/07/27/1049090727.db2.gz RCYPDWWPVJLWPE-JKSUJKDBSA-N 1 0 328.431 4.011 20 10 EICDRO COc1ccc(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)c(O)c1 ZINC000811499560 1049113802 /nfs/dbraw/zinc/11/38/02/1049113802.db2.gz PQMVIZAQWPKEQU-UKTHLTGXSA-N 1 0 349.377 4.195 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4ccccc4o3)C2)cc1 ZINC000818222252 1049116848 /nfs/dbraw/zinc/11/68/48/1049116848.db2.gz VTZHZWVYFREVPF-INIZCTEOSA-N 1 0 336.435 4.058 20 10 EICDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512381 1049124264 /nfs/dbraw/zinc/12/42/64/1049124264.db2.gz CJTPUNOUVIZNSD-IBGZPJMESA-N 1 0 344.458 4.182 20 10 EICDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1(F)F ZINC000811513492 1049126851 /nfs/dbraw/zinc/12/68/51/1049126851.db2.gz ZVXYONJAFVIBHQ-NSHDSACASA-N 1 0 336.348 4.249 20 10 EICDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C2)cc1 ZINC000818344366 1049138485 /nfs/dbraw/zinc/13/84/85/1049138485.db2.gz MJGVSIZUHZTQBY-HZPDHXFCSA-N 1 0 336.545 4.031 20 10 EICDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3)C2)cc1 ZINC000818343456 1049138689 /nfs/dbraw/zinc/13/86/89/1049138689.db2.gz BNIMVPBTNTWLKQ-GJZGRUSLSA-N 1 0 346.421 4.151 20 10 EICDRO Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)ccc1N(C)C ZINC000772995824 1049400408 /nfs/dbraw/zinc/40/04/08/1049400408.db2.gz FHPYHOQGCSPYAK-QGZVFWFLSA-N 1 0 334.467 4.098 20 10 EICDRO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812296604 1049433928 /nfs/dbraw/zinc/43/39/28/1049433928.db2.gz DJORGHPMCUAGOS-CVEARBPZSA-N 1 0 327.390 4.434 20 10 EICDRO Oc1cc2ccccc2cc1C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171351081 1049506643 /nfs/dbraw/zinc/50/66/43/1049506643.db2.gz RCBDSPBKUOCRIH-SFHVURJKSA-N 1 0 339.385 4.471 20 10 EICDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067200 1049559977 /nfs/dbraw/zinc/55/99/77/1049559977.db2.gz GAAQOGASIUTJDV-INIZCTEOSA-N 1 0 334.479 4.019 20 10 EICDRO C=Cc1ccc(CC[NH2+]Cc2ccc(OC)c(COCC)c2)cc1 ZINC000812773526 1049571276 /nfs/dbraw/zinc/57/12/76/1049571276.db2.gz ZDCRGMYMUSFQDC-UHFFFAOYSA-N 1 0 325.452 4.207 20 10 EICDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773142641 1049606882 /nfs/dbraw/zinc/60/68/82/1049606882.db2.gz ZDDXHILBSSUXGK-IAGOWNOFSA-N 1 0 342.483 4.127 20 10 EICDRO COc1cc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(O)cc1C ZINC000773252170 1049673073 /nfs/dbraw/zinc/67/30/73/1049673073.db2.gz OBRUSDVDWZBREM-UHFFFAOYSA-N 1 0 344.842 4.047 20 10 EICDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1 ZINC001171545741 1049735897 /nfs/dbraw/zinc/73/58/97/1049735897.db2.gz DRZYUXFUCJIXSE-MRXNPFEDSA-N 1 0 348.412 4.159 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000813331841 1049753021 /nfs/dbraw/zinc/75/30/21/1049753021.db2.gz WIVNNVJCNAVTRH-JTQLQIEISA-N 1 0 343.320 4.410 20 10 EICDRO COc1cc(C[NH2+]C[C@H](OC)C2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001203249913 1049782664 /nfs/dbraw/zinc/78/26/64/1049782664.db2.gz XNPLPLDBTHLWIH-IBGZPJMESA-N 1 0 349.515 4.383 20 10 EICDRO Cc1cc(O)c(C[NH2+]CCCOc2cccc3cccnc32)cc1C ZINC000237860541 1049787419 /nfs/dbraw/zinc/78/74/19/1049787419.db2.gz YIZDWWPWXACANB-UHFFFAOYSA-N 1 0 336.435 4.116 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000813792797 1049818526 /nfs/dbraw/zinc/81/85/26/1049818526.db2.gz COUZNJXVLLIFSL-YWZLYKJASA-N 1 0 344.524 4.386 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H]1OCCc2sccc21 ZINC000813884342 1049831603 /nfs/dbraw/zinc/83/16/03/1049831603.db2.gz IGVOXSKPWBHJRF-WVQJBOLRSA-N 1 0 337.872 4.460 20 10 EICDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115721 1049858458 /nfs/dbraw/zinc/85/84/58/1049858458.db2.gz ZHJFMYNWQJKKBI-PZTGFMGMSA-N 1 0 342.527 4.237 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823851615 1049881688 /nfs/dbraw/zinc/88/16/88/1049881688.db2.gz RRIMUMMHGGMTPZ-MRXNPFEDSA-N 1 0 334.385 4.255 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1CCOCC1 ZINC000823996779 1049892743 /nfs/dbraw/zinc/89/27/43/1049892743.db2.gz OWECZIHNPPZVEP-MRXNPFEDSA-N 1 0 344.524 4.289 20 10 EICDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000824074393 1049897286 /nfs/dbraw/zinc/89/72/86/1049897286.db2.gz URMLQODURXPFNK-FUHWJXTLSA-N 1 0 344.524 4.289 20 10 EICDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172557618 1049931941 /nfs/dbraw/zinc/93/19/41/1049931941.db2.gz QZMXJJMMRDBWCM-CTNGQTDRSA-N 1 0 336.479 4.154 20 10 EICDRO CC(C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)Nc1ccccc1 ZINC001177186474 1050166597 /nfs/dbraw/zinc/16/65/97/1050166597.db2.gz QYRFUEWCGYOECE-IBGZPJMESA-N 1 0 347.453 4.257 20 10 EICDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccsc1 ZINC001177250113 1050175257 /nfs/dbraw/zinc/17/52/57/1050175257.db2.gz JBHFZOOHAUKSLQ-IBGZPJMESA-N 1 0 344.524 4.246 20 10 EICDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCC2(CCOCC2)CC1 ZINC001173048995 1050274026 /nfs/dbraw/zinc/27/40/26/1050274026.db2.gz HMKMYHCRNBCWKA-UHFFFAOYSA-N 1 0 330.516 4.314 20 10 EICDRO C[C@@H](COc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001177769437 1050296160 /nfs/dbraw/zinc/29/61/60/1050296160.db2.gz IZFDZCLHOJJXOM-KRWDZBQOSA-N 1 0 342.458 4.373 20 10 EICDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1OC ZINC001177823162 1050297756 /nfs/dbraw/zinc/29/77/56/1050297756.db2.gz QWISNRRNXUBXLZ-CQSZACIVSA-N 1 0 346.446 4.068 20 10 EICDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1F ZINC001178393872 1050450828 /nfs/dbraw/zinc/45/08/28/1050450828.db2.gz XLPJGSXDDFOYRV-OAQYLSRUSA-N 1 0 326.459 4.276 20 10 EICDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000773770908 1050555968 /nfs/dbraw/zinc/55/59/68/1050555968.db2.gz FLVBKXGEEJNRFQ-SFHVURJKSA-N 1 0 329.513 4.417 20 10 EICDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC001178773581 1050563243 /nfs/dbraw/zinc/56/32/43/1050563243.db2.gz AGFGAGURPHIXEZ-SFTDATJTSA-N 1 0 332.532 4.056 20 10 EICDRO CCN(CC)c1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1F ZINC001178939662 1050592667 /nfs/dbraw/zinc/59/26/67/1050592667.db2.gz NJMOPYSMJLCASJ-UHFFFAOYSA-N 1 0 347.453 4.485 20 10 EICDRO CCCN(Cc1ccc(OC)c(OC)c1Cl)c1ccc(C[NH3+])cc1 ZINC000775139863 1050598418 /nfs/dbraw/zinc/59/84/18/1050598418.db2.gz GNZBATIFBXOAFA-UHFFFAOYSA-N 1 0 348.874 4.233 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001178972029 1050600918 /nfs/dbraw/zinc/60/09/18/1050600918.db2.gz OLQDFFWAPCCJLF-HQRMLTQVSA-N 1 0 332.532 4.175 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1C ZINC001179011676 1050610460 /nfs/dbraw/zinc/61/04/60/1050610460.db2.gz OJQYVYMJMYVMFW-UHFFFAOYSA-N 1 0 349.377 4.395 20 10 EICDRO CN(C)c1ccc(/C=C\C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC001179052930 1050617594 /nfs/dbraw/zinc/61/75/94/1050617594.db2.gz IJNZJEOSACWPPT-BDYZRQCESA-N 1 0 349.522 4.020 20 10 EICDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001179081108 1050627125 /nfs/dbraw/zinc/62/71/25/1050627125.db2.gz ADJKDAHWQWYPEK-UZLBHIALSA-N 1 0 346.540 4.271 20 10 EICDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179085879 1050630229 /nfs/dbraw/zinc/63/02/29/1050630229.db2.gz HXMJSRKWPZEWNP-JXFKEZNVSA-N 1 0 338.520 4.233 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(Br)c2)c1 ZINC000182410851 1050650369 /nfs/dbraw/zinc/65/03/69/1050650369.db2.gz DYMSPVKHRWGZIR-VIFPVBQESA-N 1 0 342.258 4.076 20 10 EICDRO CCN(C)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000773812208 1050665245 /nfs/dbraw/zinc/66/52/45/1050665245.db2.gz PSIKAIILPURBNB-UGKGYDQZSA-N 1 0 338.495 4.400 20 10 EICDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001179324798 1050675367 /nfs/dbraw/zinc/67/53/67/1050675367.db2.gz GKLXBNLRFVWHIR-UHFFFAOYSA-N 1 0 338.426 4.273 20 10 EICDRO CCOc1cncc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001179339204 1050679173 /nfs/dbraw/zinc/67/91/73/1050679173.db2.gz ZCSBACZPOUXYGV-UHFFFAOYSA-N 1 0 335.451 4.178 20 10 EICDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001179559379 1050725747 /nfs/dbraw/zinc/72/57/47/1050725747.db2.gz GWPVQJKXAJHXQN-IAGOWNOFSA-N 1 0 344.421 4.122 20 10 EICDRO Cc1cnccc1OC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775201064 1050850094 /nfs/dbraw/zinc/85/00/94/1050850094.db2.gz BOBRBZXLFSZVFR-UHFFFAOYSA-N 1 0 346.858 4.101 20 10 EICDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(Br)cc1O ZINC001180064894 1050872907 /nfs/dbraw/zinc/87/29/07/1050872907.db2.gz ZFUNCIPRVYINDZ-LLVKDONJSA-N 1 0 340.286 4.279 20 10 EICDRO Cc1cccc(N2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)c1C ZINC001180103113 1050886474 /nfs/dbraw/zinc/88/64/74/1050886474.db2.gz DDISSEPXKMLUHY-UHFFFAOYSA-N 1 0 344.886 4.293 20 10 EICDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc3[nH]c(=O)oc32)cc1 ZINC001180364195 1050983896 /nfs/dbraw/zinc/98/38/96/1050983896.db2.gz PUMKRVMXSXXOAK-UHFFFAOYSA-N 1 0 339.439 4.012 20 10 EICDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c1O ZINC001180601626 1051047009 /nfs/dbraw/zinc/04/70/09/1051047009.db2.gz AMLDKPWXJOPKFO-QFIPXVFZSA-N 1 0 347.458 4.445 20 10 EICDRO Cc1cccc([C@H]2CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818485 1051090783 /nfs/dbraw/zinc/09/07/83/1051090783.db2.gz BFMKNZBXTYSASX-INIZCTEOSA-N 1 0 330.422 4.329 20 10 EICDRO CC[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183326602 1051091729 /nfs/dbraw/zinc/09/17/29/1051091729.db2.gz OBOGRVLNSBHDIG-KRWDZBQOSA-N 1 0 348.487 4.080 20 10 EICDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccccc1O ZINC000183456287 1051127009 /nfs/dbraw/zinc/12/70/09/1051127009.db2.gz WTSNDUOPWUXOJV-KRWDZBQOSA-N 1 0 335.451 4.170 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(C(F)(F)F)c1 ZINC000183482768 1051131844 /nfs/dbraw/zinc/13/18/44/1051131844.db2.gz LVRMUZMAIRCPJM-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCSCc2ccccc2)c1 ZINC000775369302 1051140548 /nfs/dbraw/zinc/14/05/48/1051140548.db2.gz NCEKHRRBZGUHCG-OAHLLOKOSA-N 1 0 331.481 4.375 20 10 EICDRO COc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001181088489 1051145675 /nfs/dbraw/zinc/14/56/75/1051145675.db2.gz PGGNNIRRVZVDGN-QGZVFWFLSA-N 1 0 347.499 4.089 20 10 EICDRO COC(=O)c1c(C[N@H+](C)[C@H]2CCC(C)(C)C2)c2cc(F)ccc2n1C ZINC001181399740 1051227089 /nfs/dbraw/zinc/22/70/89/1051227089.db2.gz LYMOGEDFJQECOL-AWEZNQCLSA-N 1 0 346.446 4.115 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1N(C)C ZINC001190827225 1051286100 /nfs/dbraw/zinc/28/61/00/1051286100.db2.gz NCNFCIXUXJNXJD-OAQYLSRUSA-N 1 0 343.559 4.149 20 10 EICDRO CC[N@H+](CCCC(C)(F)F)Cc1cc(Br)ccc1O ZINC001191267791 1051411556 /nfs/dbraw/zinc/41/15/56/1051411556.db2.gz HZIBJUTYOMOCSH-UHFFFAOYSA-N 1 0 336.220 4.412 20 10 EICDRO [O-]c1cc(Cl)ccc1C[NH2+]CCc1cccc(Br)c1 ZINC001182238739 1051444372 /nfs/dbraw/zinc/44/43/72/1051444372.db2.gz PADGTYCJVMHQFI-UHFFFAOYSA-N 1 0 340.648 4.140 20 10 EICDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C[NH+]1CCCC1 ZINC000774133105 1051477857 /nfs/dbraw/zinc/47/78/57/1051477857.db2.gz WKIFMHNRVYTRSB-NEPJUHHUSA-N 1 0 331.287 4.082 20 10 EICDRO CCc1cccc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)c1O ZINC001182332340 1051505909 /nfs/dbraw/zinc/50/59/09/1051505909.db2.gz BWESDJDMVXGGOZ-CQSZACIVSA-N 1 0 340.442 4.306 20 10 EICDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)CC ZINC001204336185 1051510729 /nfs/dbraw/zinc/51/07/29/1051510729.db2.gz FPVJVCVSRQKAAW-NSHDSACASA-N 1 0 330.266 4.174 20 10 EICDRO C[C@H]([NH2+]CCCc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774256538 1051528386 /nfs/dbraw/zinc/52/83/86/1051528386.db2.gz YUODMFFSXCSBLA-VIFPVBQESA-N 1 0 331.268 4.439 20 10 EICDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000774271285 1051541048 /nfs/dbraw/zinc/54/10/48/1051541048.db2.gz IOLAIGPHQILJRY-HRZBSETHSA-N 1 0 342.266 4.307 20 10 EICDRO CCCOc1ncccc1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775491187 1051575786 /nfs/dbraw/zinc/57/57/86/1051575786.db2.gz ZLPRHSXPHWUKND-INIZCTEOSA-N 1 0 334.847 4.470 20 10 EICDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490222 1051584791 /nfs/dbraw/zinc/58/47/91/1051584791.db2.gz AIRBYUJCEYQYKC-DOMZBBRYSA-N 1 0 345.314 4.472 20 10 EICDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cc(Cl)ccc1O ZINC000775493319 1051603848 /nfs/dbraw/zinc/60/38/48/1051603848.db2.gz XJYXJQDVFWBFKS-SFHVURJKSA-N 1 0 349.858 4.312 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2csc(Br)c2)c(O)c1 ZINC000273388946 1051619991 /nfs/dbraw/zinc/61/99/91/1051619991.db2.gz KGFXSFYHWCVXIV-SNVBAGLBSA-N 1 0 326.259 4.375 20 10 EICDRO CC[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1O ZINC000775495985 1051620708 /nfs/dbraw/zinc/62/07/08/1051620708.db2.gz CTJWJMKZAITZFX-MRXNPFEDSA-N 1 0 347.842 4.100 20 10 EICDRO CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC1(C)C ZINC001182509890 1051625182 /nfs/dbraw/zinc/62/51/82/1051625182.db2.gz YWDLXKURAVGFOP-AHRSYUTCSA-N 1 0 330.516 4.326 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1O ZINC000775498524 1051630318 /nfs/dbraw/zinc/63/03/18/1051630318.db2.gz MKAVUTWXLNQQJT-MRXNPFEDSA-N 1 0 347.842 4.448 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@H](C)CCCC(F)(F)F)CC2)cc1 ZINC000775502552 1051644950 /nfs/dbraw/zinc/64/49/50/1051644950.db2.gz YCSPLVOXPXRWQE-CQSZACIVSA-N 1 0 344.421 4.375 20 10 EICDRO CC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775514210 1051659432 /nfs/dbraw/zinc/65/94/32/1051659432.db2.gz RWOFOVXNIVCTKI-ZWKOTPCHSA-N 1 0 349.858 4.219 20 10 EICDRO CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cc(Cl)ccc1O ZINC000775513103 1051659459 /nfs/dbraw/zinc/65/94/59/1051659459.db2.gz NTJFTCLKJCWIRP-QGZVFWFLSA-N 1 0 343.858 4.285 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(Cl)ccc1O ZINC000775525233 1051706569 /nfs/dbraw/zinc/70/65/69/1051706569.db2.gz FFNINYHTAIAKKS-ZBFHGGJFSA-N 1 0 341.785 4.098 20 10 EICDRO CC[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000775526345 1051717913 /nfs/dbraw/zinc/71/79/13/1051717913.db2.gz QWOBOUXHOMPXAK-QAPCUYQASA-N 1 0 343.467 4.329 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000775528405 1051739294 /nfs/dbraw/zinc/73/92/94/1051739294.db2.gz YBLBSXPZGLXAHA-SDDDUWNISA-N 1 0 337.822 4.348 20 10 EICDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC001182961442 1051749266 /nfs/dbraw/zinc/74/92/66/1051749266.db2.gz YQTYUTLTOPBLPW-QAPCUYQASA-N 1 0 340.423 4.110 20 10 EICDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c(O)c1OC ZINC001183058640 1051781541 /nfs/dbraw/zinc/78/15/41/1051781541.db2.gz GTZSLUBIMYMXOJ-MRXNPFEDSA-N 1 0 333.472 4.202 20 10 EICDRO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2ccccc2O)CC1 ZINC001203561802 1051807703 /nfs/dbraw/zinc/80/77/03/1051807703.db2.gz ZVPQGKOYCMXKKF-UHFFFAOYSA-N 1 0 344.886 4.142 20 10 EICDRO CC[C@H]([NH2+]CCOCC1CCC1)c1cc(Br)ccc1O ZINC000775556237 1051829483 /nfs/dbraw/zinc/82/94/83/1051829483.db2.gz UZFVTWSVYIRHMM-HNNXBMFYSA-N 1 0 342.277 4.012 20 10 EICDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639950 1051853490 /nfs/dbraw/zinc/85/34/90/1051853490.db2.gz NRHPHIJRZYYYRE-AWEZNQCLSA-N 1 0 331.412 4.053 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1N(C)C ZINC001176021404 1051878487 /nfs/dbraw/zinc/87/84/87/1051878487.db2.gz PFLLKYUUNMUVCQ-INIZCTEOSA-N 1 0 330.422 4.329 20 10 EICDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798519 1051901192 /nfs/dbraw/zinc/90/11/92/1051901192.db2.gz FPCNPAUOPDCJRG-CWDCEQMOSA-N 1 0 342.380 4.132 20 10 EICDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001183822753 1051908372 /nfs/dbraw/zinc/90/83/72/1051908372.db2.gz LVWJXSDCGWVJSC-NXXWWENFSA-N 1 0 337.463 4.353 20 10 EICDRO C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC001184265622 1051980799 /nfs/dbraw/zinc/98/07/99/1051980799.db2.gz UCLIDKRZJGETFW-KBXCAEBGSA-N 1 0 336.907 4.178 20 10 EICDRO CC(C)(C)c1cc(C[NH2+]CCc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000774830878 1052179463 /nfs/dbraw/zinc/17/94/63/1052179463.db2.gz FTRXBMTZFVADNV-UHFFFAOYSA-N 1 0 341.499 4.110 20 10 EICDRO CSc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000774830898 1052179858 /nfs/dbraw/zinc/17/98/58/1052179858.db2.gz GITVRALFVJUOBS-UHFFFAOYSA-N 1 0 341.524 4.081 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c(O)c1 ZINC000184835974 1052247111 /nfs/dbraw/zinc/24/71/11/1052247111.db2.gz ZLKLXXZAGMTFOY-NVXWUHKLSA-N 1 0 330.497 4.250 20 10 EICDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000184911945 1052295247 /nfs/dbraw/zinc/29/52/47/1052295247.db2.gz CIVKPNPNCGOLKJ-LBPRGKRZSA-N 1 0 325.330 4.450 20 10 EICDRO COc1ccc2cc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)ccc2c1 ZINC000184912306 1052295874 /nfs/dbraw/zinc/29/58/74/1052295874.db2.gz UEYUWMYGBNKZOL-AWEZNQCLSA-N 1 0 337.419 4.413 20 10 EICDRO COc1cc(O)c(C[NH2+][C@@H]2c3ccccc3CCC[C@H]2C)cc1OC ZINC000184954657 1052324590 /nfs/dbraw/zinc/32/45/90/1052324590.db2.gz PJMQMOJWJGPQJY-SZNDQCEHSA-N 1 0 341.451 4.213 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000185006396 1052358832 /nfs/dbraw/zinc/35/88/32/1052358832.db2.gz DNNXMBSRWNCIOU-OAHLLOKOSA-N 1 0 326.440 4.268 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)c1ccc2c(c1)OCCO2 ZINC000185107271 1052434746 /nfs/dbraw/zinc/43/47/46/1052434746.db2.gz YWJBHBJPBQHYBC-YOEHRIQHSA-N 1 0 327.424 4.274 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc2ccccc2c1O ZINC000185162651 1052497153 /nfs/dbraw/zinc/49/71/53/1052497153.db2.gz YJSKLTANIOVMED-YJYMSZOUSA-N 1 0 325.383 4.069 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(O)c1 ZINC000185245753 1052550120 /nfs/dbraw/zinc/55/01/20/1052550120.db2.gz GCEKYLBHMQMYCH-SJORKVTESA-N 1 0 344.524 4.325 20 10 EICDRO C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc(F)ccc1O ZINC000185241703 1052551164 /nfs/dbraw/zinc/55/11/64/1052551164.db2.gz FGORLXKWZIEOIZ-CQSZACIVSA-N 1 0 348.487 4.156 20 10 EICDRO Cc1cc2cc[nH]c2c(NCc2cc(Cl)c3cccnc3c2O)[nH+]1 ZINC001168528252 1052616253 /nfs/dbraw/zinc/61/62/53/1052616253.db2.gz RCWYBPBHBKQJJC-UHFFFAOYSA-N 1 0 338.798 4.391 20 10 EICDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000185525883 1052628240 /nfs/dbraw/zinc/62/82/40/1052628240.db2.gz SLSAWULEXPYQQJ-JXFKEZNVSA-N 1 0 339.479 4.088 20 10 EICDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185840072 1052779706 /nfs/dbraw/zinc/77/97/06/1052779706.db2.gz VZPTWMDMWZCOQX-TYILLQQXSA-N 1 0 345.508 4.495 20 10 EICDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000186003014 1052841003 /nfs/dbraw/zinc/84/10/03/1052841003.db2.gz NLXBKUHMJQPWHA-PXAZEXFGSA-N 1 0 339.357 4.104 20 10 EICDRO COc1cc(C[NH2+]Cc2ccc([C@H](C)O)cc2)c(O)c(C(C)(C)C)c1 ZINC000850072920 1053067424 /nfs/dbraw/zinc/06/74/24/1053067424.db2.gz QNPADSMTXZKKMY-AWEZNQCLSA-N 1 0 343.467 4.041 20 10 EICDRO Cc1ccc2cc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000850077000 1053068116 /nfs/dbraw/zinc/06/81/16/1053068116.db2.gz HGUIZWQCDGQZNW-QGZVFWFLSA-N 1 0 349.478 4.164 20 10 EICDRO COCc1csc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000850096876 1053073540 /nfs/dbraw/zinc/07/35/40/1053073540.db2.gz YHPOYHPDDQEYGD-UHFFFAOYSA-N 1 0 330.497 4.175 20 10 EICDRO COc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850138832 1053077681 /nfs/dbraw/zinc/07/76/81/1053077681.db2.gz KIBLQUUUAWHWOE-UHFFFAOYSA-N 1 0 348.512 4.488 20 10 EICDRO CC[N@H+](Cc1ccc(C)nc1C)Cc1cc(Br)ccc1O ZINC000775610011 1053090865 /nfs/dbraw/zinc/09/08/65/1053090865.db2.gz IVWYFTZGPUBHPO-UHFFFAOYSA-N 1 0 349.272 4.189 20 10 EICDRO COc1cc(F)cc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850235390 1053095454 /nfs/dbraw/zinc/09/54/54/1053095454.db2.gz XRICFZFDJSHMND-UHFFFAOYSA-N 1 0 347.430 4.136 20 10 EICDRO COCC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)c1ccco1 ZINC000850241142 1053096481 /nfs/dbraw/zinc/09/64/81/1053096481.db2.gz UNOOGKLSNAITNL-QGZVFWFLSA-N 1 0 347.455 4.159 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccc1N(C)C ZINC001194764507 1053097388 /nfs/dbraw/zinc/09/73/88/1053097388.db2.gz LUHDHCXHYSTPRR-QFIPXVFZSA-N 1 0 336.479 4.031 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000764431134 1053097432 /nfs/dbraw/zinc/09/74/32/1053097432.db2.gz MGMWWGYGZDDNRK-INIZCTEOSA-N 1 0 342.483 4.053 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(N(C)C)cc1 ZINC000850251713 1053099279 /nfs/dbraw/zinc/09/92/79/1053099279.db2.gz DBBQMKXMQHVHAZ-CQSZACIVSA-N 1 0 328.431 4.284 20 10 EICDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000850391061 1053158321 /nfs/dbraw/zinc/15/83/21/1053158321.db2.gz CFEDWSIJPRVHDD-UHFFFAOYSA-N 1 0 347.462 4.350 20 10 EICDRO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000850385336 1053159235 /nfs/dbraw/zinc/15/92/35/1053159235.db2.gz DQIJFNOLDMGRPJ-SIKLNZKXSA-N 1 0 335.495 4.183 20 10 EICDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCCC1 ZINC000850406377 1053174049 /nfs/dbraw/zinc/17/40/49/1053174049.db2.gz DQBAKHQFYYRREP-UHFFFAOYSA-N 1 0 330.516 4.098 20 10 EICDRO Cn1cc(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1 ZINC000101594366 1053234138 /nfs/dbraw/zinc/23/41/38/1053234138.db2.gz VLOLNRZJBBLVCJ-UHFFFAOYSA-N 1 0 329.488 4.011 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000764635024 1053241478 /nfs/dbraw/zinc/24/14/78/1053241478.db2.gz KTEBZOUHVHYXLD-GOSISDBHSA-N 1 0 330.859 4.410 20 10 EICDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000764635678 1053243161 /nfs/dbraw/zinc/24/31/61/1053243161.db2.gz LTECYMLOWSNTER-SFHVURJKSA-N 1 0 330.859 4.410 20 10 EICDRO COC1CC(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000850480970 1053252058 /nfs/dbraw/zinc/25/20/58/1053252058.db2.gz GCRZAIJHTYGWPM-KLHKWILBSA-N 1 0 334.479 4.282 20 10 EICDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000775633260 1053254122 /nfs/dbraw/zinc/25/41/22/1053254122.db2.gz GVTYSQIGVABYGP-UHFFFAOYSA-N 1 0 325.330 4.052 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Cl)ccc1O ZINC000850485551 1053254725 /nfs/dbraw/zinc/25/47/25/1053254725.db2.gz KZZUGNSJJHEMIJ-GFCCVEGCSA-N 1 0 345.752 4.095 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1cscn1 ZINC000850511788 1053270954 /nfs/dbraw/zinc/27/09/54/1053270954.db2.gz NDONDHJYNSHCQB-RKDXNWHRSA-N 1 0 327.247 4.023 20 10 EICDRO Cc1cc(CC[NH2+][C@H](C)c2cncs2)c(C)n1-c1ccccc1 ZINC000764716124 1053280193 /nfs/dbraw/zinc/28/01/93/1053280193.db2.gz IBHIYLMXCVHAFI-OAHLLOKOSA-N 1 0 325.481 4.444 20 10 EICDRO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000850523800 1053281607 /nfs/dbraw/zinc/28/16/07/1053281607.db2.gz PJOYSCUHAAPCFO-TZMCWYRMSA-N 1 0 329.362 4.163 20 10 EICDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)cc1O ZINC000850537655 1053300323 /nfs/dbraw/zinc/30/03/23/1053300323.db2.gz WQOOUUKHUIHEOY-ZANVPECISA-N 1 0 334.204 4.241 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1O ZINC000850545138 1053303670 /nfs/dbraw/zinc/30/36/70/1053303670.db2.gz FDKCNNSFIQBWKM-JQFCIGGWSA-N 1 0 333.472 4.178 20 10 EICDRO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc2ccccc2c1O ZINC000850552630 1053306439 /nfs/dbraw/zinc/30/64/39/1053306439.db2.gz XBUXEGBTYSCNJE-CQSZACIVSA-N 1 0 335.451 4.397 20 10 EICDRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(N(C)C)cc1 ZINC000120102831 1053312781 /nfs/dbraw/zinc/31/27/81/1053312781.db2.gz FQKIPGMNFOAJBI-KDOFPFPSSA-N 1 0 340.492 4.352 20 10 EICDRO CCC1(C)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850567166 1053319528 /nfs/dbraw/zinc/31/95/28/1053319528.db2.gz XQSNDRAJQREJFT-UHFFFAOYSA-N 1 0 330.516 4.096 20 10 EICDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc(OC)c3O)CCC2)c1 ZINC000850566615 1053320238 /nfs/dbraw/zinc/32/02/38/1053320238.db2.gz OSWUGLFQYFZVKC-AWEZNQCLSA-N 1 0 327.424 4.139 20 10 EICDRO C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572469 1053328036 /nfs/dbraw/zinc/32/80/36/1053328036.db2.gz KMGJAIUGGPGUKB-LPHOPBHVSA-N 1 0 335.451 4.150 20 10 EICDRO COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)on1 ZINC000850585143 1053336435 /nfs/dbraw/zinc/33/64/35/1053336435.db2.gz VWKCOPXOGCAZMU-AWEZNQCLSA-N 1 0 338.407 4.215 20 10 EICDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000764881646 1053355903 /nfs/dbraw/zinc/35/59/03/1053355903.db2.gz WQFKQZILCWNEGD-HNNXBMFYSA-N 1 0 347.503 4.474 20 10 EICDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)ncn2C ZINC000775650362 1053367187 /nfs/dbraw/zinc/36/71/87/1053367187.db2.gz BDBQCEAWFPOVOE-UHFFFAOYSA-N 1 0 336.483 4.050 20 10 EICDRO COc1ccc(O)c(C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1 ZINC000775650372 1053368123 /nfs/dbraw/zinc/36/81/23/1053368123.db2.gz YYIGCAPLNDPTMU-UGSOOPFHSA-N 1 0 327.424 4.282 20 10 EICDRO COc1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1O ZINC000776496539 1053372118 /nfs/dbraw/zinc/37/21/18/1053372118.db2.gz AUXHFPOWTZLGIY-OAHLLOKOSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C)cc1O ZINC000794799049 1053383767 /nfs/dbraw/zinc/38/37/67/1053383767.db2.gz YFJXQQFMVBKMRB-HXUWFJFHSA-N 1 0 335.451 4.186 20 10 EICDRO COc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1O ZINC000776499948 1053384896 /nfs/dbraw/zinc/38/48/96/1053384896.db2.gz ZHPDASAVOZQARA-HNNXBMFYSA-N 1 0 333.815 4.058 20 10 EICDRO CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000794802841 1053386417 /nfs/dbraw/zinc/38/64/17/1053386417.db2.gz GUTMCBRZSJTEOP-FQEVSTJZSA-N 1 0 335.451 4.170 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1O ZINC000794792902 1053386596 /nfs/dbraw/zinc/38/65/96/1053386596.db2.gz HIZDHKCVTXZYFI-ZWKOTPCHSA-N 1 0 328.456 4.171 20 10 EICDRO CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(C)cc1O ZINC000794794456 1053386780 /nfs/dbraw/zinc/38/67/80/1053386780.db2.gz DBHUVXJESSJHHD-RDTXWAMCSA-N 1 0 341.451 4.274 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1O ZINC000794794385 1053386827 /nfs/dbraw/zinc/38/68/27/1053386827.db2.gz MXHLITCALIKGGI-RHSMWYFYSA-N 1 0 327.424 4.274 20 10 EICDRO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(C)cc1O ZINC000794794455 1053387311 /nfs/dbraw/zinc/38/73/11/1053387311.db2.gz DBHUVXJESSJHHD-KSSFIOAISA-N 1 0 341.451 4.274 20 10 EICDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1O ZINC000794791925 1053387345 /nfs/dbraw/zinc/38/73/45/1053387345.db2.gz COQGXZUBASGBRS-QGZVFWFLSA-N 1 0 329.440 4.001 20 10 EICDRO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(C)cc1O ZINC000794794454 1053387884 /nfs/dbraw/zinc/38/78/84/1053387884.db2.gz DBHUVXJESSJHHD-KDOFPFPSSA-N 1 0 341.451 4.274 20 10 EICDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1O ZINC000794804989 1053391836 /nfs/dbraw/zinc/39/18/36/1053391836.db2.gz OPICOQQPUCOLFX-RBUKOAKNSA-N 1 0 342.483 4.480 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1O ZINC000794803148 1053395614 /nfs/dbraw/zinc/39/56/14/1053395614.db2.gz QPPKRNHFVCOHLO-TZIWHRDSSA-N 1 0 343.467 4.262 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1O ZINC000794803719 1053396998 /nfs/dbraw/zinc/39/69/98/1053396998.db2.gz SMOPEPSUZBLEQG-DNVCBOLYSA-N 1 0 329.440 4.217 20 10 EICDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1O ZINC000794803656 1053398138 /nfs/dbraw/zinc/39/81/38/1053398138.db2.gz RFGIVNIRWWDCPX-CTNGQTDRSA-N 1 0 343.467 4.262 20 10 EICDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000775652791 1053398549 /nfs/dbraw/zinc/39/85/49/1053398549.db2.gz UIAXVIQWXFTGGG-HNNXBMFYSA-N 1 0 329.440 4.219 20 10 EICDRO C[N@H+](Cc1ccc(Cl)c(Br)c1)Cc1ccccc1O ZINC000775655714 1053410905 /nfs/dbraw/zinc/41/09/05/1053410905.db2.gz KGQOFWISNINESF-UHFFFAOYSA-N 1 0 340.648 4.440 20 10 EICDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(F)cc1 ZINC000775657916 1053417296 /nfs/dbraw/zinc/41/72/96/1053417296.db2.gz CJKJWYGAPLXMBZ-ZDUSSCGKSA-N 1 0 333.403 4.132 20 10 EICDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1O ZINC000794813183 1053420373 /nfs/dbraw/zinc/42/03/73/1053420373.db2.gz NYVRCSBHRWCMKM-MRXNPFEDSA-N 1 0 325.408 4.159 20 10 EICDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000765038290 1053420744 /nfs/dbraw/zinc/42/07/44/1053420744.db2.gz RJOIQXZOOMSCID-HUUCEWRRSA-N 1 0 337.467 4.049 20 10 EICDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1O ZINC000794815272 1053421400 /nfs/dbraw/zinc/42/14/00/1053421400.db2.gz JPQRSLNPLUXAOW-SJLPKXTDSA-N 1 0 337.822 4.267 20 10 EICDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000794812352 1053427790 /nfs/dbraw/zinc/42/77/90/1053427790.db2.gz WCOIGSOCNZFLIC-ZOCIIQOWSA-N 1 0 331.431 4.393 20 10 EICDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000794826399 1053429670 /nfs/dbraw/zinc/42/96/70/1053429670.db2.gz RPGKHVFJSDXWDK-SJLPKXTDSA-N 1 0 343.467 4.089 20 10 EICDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)n1 ZINC000794826350 1053430415 /nfs/dbraw/zinc/43/04/15/1053430415.db2.gz BNFDGYZFQFVVBS-QGZVFWFLSA-N 1 0 341.474 4.413 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765101100 1053442622 /nfs/dbraw/zinc/44/26/22/1053442622.db2.gz CGKWYZJMYKZUDJ-QGZVFWFLSA-N 1 0 325.500 4.450 20 10 EICDRO Cc1cccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1O ZINC000775667484 1053458056 /nfs/dbraw/zinc/45/80/56/1053458056.db2.gz JETCMEMDOFYQQK-CTNGQTDRSA-N 1 0 325.452 4.300 20 10 EICDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775668549 1053459683 /nfs/dbraw/zinc/45/96/83/1053459683.db2.gz FIUDZTIHWNDXJN-IBGZPJMESA-N 1 0 335.451 4.407 20 10 EICDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000765272296 1053486096 /nfs/dbraw/zinc/48/60/96/1053486096.db2.gz QQMWCAOIDYNOKP-PGRDOPGGSA-N 1 0 338.495 4.370 20 10 EICDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000765278258 1053487468 /nfs/dbraw/zinc/48/74/68/1053487468.db2.gz CGGYOMFSZQWPFS-IBGZPJMESA-N 1 0 326.488 4.203 20 10 EICDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(C)cc(C)cc2C)cc1 ZINC001195789271 1053487792 /nfs/dbraw/zinc/48/77/92/1053487792.db2.gz LCLFUMXKDNZZRU-UHFFFAOYSA-N 1 0 326.484 4.189 20 10 EICDRO CCOc1ccc(O)c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120547426 1053496753 /nfs/dbraw/zinc/49/67/53/1053496753.db2.gz XNCNVYIBTIFTOD-KRWDZBQOSA-N 1 0 347.480 4.034 20 10 EICDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357452 1053514094 /nfs/dbraw/zinc/51/40/94/1053514094.db2.gz AKCCFHCCHMOCCF-HOTGVXAUSA-N 1 0 334.891 4.184 20 10 EICDRO CC[C@@H](CC(F)F)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851841916 1053523675 /nfs/dbraw/zinc/52/36/75/1053523675.db2.gz ZUMARYQPOJIVDK-GOEBONIOSA-N 1 0 327.415 4.055 20 10 EICDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCOC1 ZINC000765446072 1053551955 /nfs/dbraw/zinc/55/19/55/1053551955.db2.gz QITAHLNURAMOFO-GHTZIAJQSA-N 1 0 330.516 4.360 20 10 EICDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000765477940 1053561594 /nfs/dbraw/zinc/56/15/94/1053561594.db2.gz AAASXAUUVIJVHL-QGZVFWFLSA-N 1 0 337.511 4.376 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H](C)c2ccccc2OC)ccc1OC ZINC000865821234 1053598169 /nfs/dbraw/zinc/59/81/69/1053598169.db2.gz BWSWQBPUNSXYGG-HNNXBMFYSA-N 1 0 329.440 4.091 20 10 EICDRO COc1ccc(N2CCC([NH2+][C@@H](CF)c3ccc(F)cc3)CC2)cc1 ZINC000865822825 1053600007 /nfs/dbraw/zinc/60/00/07/1053600007.db2.gz OJURNNNUMBGFDC-FQEVSTJZSA-N 1 0 346.421 4.104 20 10 EICDRO Oc1ccccc1C[N@H+](Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000775691262 1053615852 /nfs/dbraw/zinc/61/58/52/1053615852.db2.gz OSXPEKDWVLARGY-UHFFFAOYSA-N 1 0 328.481 4.282 20 10 EICDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1O ZINC000853241247 1053657519 /nfs/dbraw/zinc/65/75/19/1053657519.db2.gz KKSVJDKVCUCHKT-UONOGXRCSA-N 1 0 327.424 4.138 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1O ZINC000853241245 1053658101 /nfs/dbraw/zinc/65/81/01/1053658101.db2.gz KKSVJDKVCUCHKT-KGLIPLIRSA-N 1 0 327.424 4.138 20 10 EICDRO CC[C@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000780754116 1053659104 /nfs/dbraw/zinc/65/91/04/1053659104.db2.gz MTSHSUAXACWXNJ-AEFFLSMTSA-N 1 0 329.440 4.193 20 10 EICDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242822 1053659892 /nfs/dbraw/zinc/65/98/92/1053659892.db2.gz SSJMCUUCDWIUHC-ZWKOTPCHSA-N 1 0 333.435 4.306 20 10 EICDRO CC[C@H]([NH2+]CCOC1CCCC1)c1cc(Br)ccc1O ZINC000111634285 1053715229 /nfs/dbraw/zinc/71/52/29/1053715229.db2.gz OQNWPHCJCSHEDT-HNNXBMFYSA-N 1 0 342.277 4.155 20 10 EICDRO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866474417 1053745052 /nfs/dbraw/zinc/74/50/52/1053745052.db2.gz OQJLDAHCLKMEST-AWEZNQCLSA-N 1 0 331.410 4.201 20 10 EICDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486147 1053750749 /nfs/dbraw/zinc/75/07/49/1053750749.db2.gz ZPDXMLPGVUYMQX-ISTVAULSSA-N 1 0 342.370 4.277 20 10 EICDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000866508516 1053759071 /nfs/dbraw/zinc/75/90/71/1053759071.db2.gz NRNOQFZDVPUCIB-CZUORRHYSA-N 1 0 345.439 4.220 20 10 EICDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1O ZINC000866530233 1053769872 /nfs/dbraw/zinc/76/98/72/1053769872.db2.gz ZGOJBYYTMCVXOD-RDJZCZTQSA-N 1 0 325.452 4.403 20 10 EICDRO C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Br)ccc1O ZINC000854225898 1053782977 /nfs/dbraw/zinc/78/29/77/1053782977.db2.gz MKOFOEDEWOCLJM-QLJPJBMISA-N 1 0 347.256 4.075 20 10 EICDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c(O)c1C ZINC000866569175 1053791224 /nfs/dbraw/zinc/79/12/24/1053791224.db2.gz NMZHZZVMMMPCHU-GFCCVEGCSA-N 1 0 335.245 4.017 20 10 EICDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1N1CCCCC1 ZINC001197177631 1053848636 /nfs/dbraw/zinc/84/86/36/1053848636.db2.gz SMWSTECTAJXVMM-FCEUIQTBSA-N 1 0 342.527 4.111 20 10 EICDRO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccc(N2CCOCC2)cc1 ZINC000785438126 1053849594 /nfs/dbraw/zinc/84/95/94/1053849594.db2.gz CKQKDSHFUSSYHL-CYBMUJFWSA-N 1 0 336.888 4.089 20 10 EICDRO Cc1ccc(O)c(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000113335017 1053924000 /nfs/dbraw/zinc/92/40/00/1053924000.db2.gz DSCWVYCCRIXTAC-UHFFFAOYSA-N 1 0 332.241 4.242 20 10 EICDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000113331108 1053924302 /nfs/dbraw/zinc/92/43/02/1053924302.db2.gz CATMQKMTHJEUMI-UHFFFAOYSA-N 1 0 343.430 4.329 20 10 EICDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776814706 1053927776 /nfs/dbraw/zinc/92/77/76/1053927776.db2.gz FPPGYBVAZMLYOD-ZDUSSCGKSA-N 1 0 329.749 4.481 20 10 EICDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000122778506 1054035741 /nfs/dbraw/zinc/03/57/41/1054035741.db2.gz VUEVDRMACJTTLX-SFHVURJKSA-N 1 0 348.494 4.157 20 10 EICDRO Cc1cc(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)ccc1N(C)C ZINC001198174667 1054090049 /nfs/dbraw/zinc/09/00/49/1054090049.db2.gz WKOIWVHVGDBBMR-IBGZPJMESA-N 1 0 342.458 4.244 20 10 EICDRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833155 1054107966 /nfs/dbraw/zinc/10/79/66/1054107966.db2.gz GSSDUQNVJNDFEZ-INIZCTEOSA-N 1 0 339.483 4.165 20 10 EICDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835227 1054114314 /nfs/dbraw/zinc/11/43/14/1054114314.db2.gz GDTWDTSOMLVIGZ-MRXNPFEDSA-N 1 0 339.483 4.165 20 10 EICDRO Cc1cc(O)c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001198959274 1054314228 /nfs/dbraw/zinc/31/42/28/1054314228.db2.gz MIJQBMMKNMASIA-UHFFFAOYSA-N 1 0 344.886 4.108 20 10 EICDRO CC(C)[C@@H](CNCc1ccc2c(c1)CCCO2)[NH+]1CCCCCC1 ZINC001199160659 1054355846 /nfs/dbraw/zinc/35/58/46/1054355846.db2.gz DKZZROBZAZWGBD-HXUWFJFHSA-N 1 0 330.516 4.002 20 10 EICDRO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1OC ZINC001199179300 1054360337 /nfs/dbraw/zinc/36/03/37/1054360337.db2.gz YCZXDRSNZJHZFH-UHFFFAOYSA-N 1 0 341.451 4.099 20 10 EICDRO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000872080911 1054380862 /nfs/dbraw/zinc/38/08/62/1054380862.db2.gz UJKGOQMZGHFGOB-HUUCEWRRSA-N 1 0 344.421 4.232 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000872130955 1054406626 /nfs/dbraw/zinc/40/66/26/1054406626.db2.gz UNTGOPPTKPZRKG-GHMZBOCLSA-N 1 0 340.345 4.226 20 10 EICDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000858100808 1054415993 /nfs/dbraw/zinc/41/59/93/1054415993.db2.gz NOUFQTSUBUHMEV-JQWIXIFHSA-N 1 0 336.229 4.161 20 10 EICDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858117716 1054420207 /nfs/dbraw/zinc/42/02/07/1054420207.db2.gz YBOROFDIKRQDKG-OAHLLOKOSA-N 1 0 348.240 4.077 20 10 EICDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000858128719 1054421363 /nfs/dbraw/zinc/42/13/63/1054421363.db2.gz ZPRIPADCJKCQCA-HNNXBMFYSA-N 1 0 336.204 4.071 20 10 EICDRO Brc1sccc1C[NH2+]CCCSc1nccs1 ZINC000858141251 1054422807 /nfs/dbraw/zinc/42/28/07/1054422807.db2.gz NCIQDPOOPPBFKJ-UHFFFAOYSA-N 1 0 349.344 4.239 20 10 EICDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000858160255 1054427343 /nfs/dbraw/zinc/42/73/43/1054427343.db2.gz GGBICTAKPLZZRX-SECBINFHSA-N 1 0 340.183 4.365 20 10 EICDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006428 1054427359 /nfs/dbraw/zinc/42/73/59/1054427359.db2.gz JHXUIFZRYVEBBA-RHSMWYFYSA-N 1 0 344.421 4.295 20 10 EICDRO CCC[N@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775998422 1054435384 /nfs/dbraw/zinc/43/53/84/1054435384.db2.gz VUPQLZXWSFHIRT-LJQANCHMSA-N 1 0 340.467 4.476 20 10 EICDRO CCOCc1cc(C[NH2+][C@H](C)COc2cccc(C)c2)ccc1OC ZINC001199629806 1054435519 /nfs/dbraw/zinc/43/55/19/1054435519.db2.gz NJWOHZREDMRILY-QGZVFWFLSA-N 1 0 343.467 4.097 20 10 EICDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1OC ZINC000858238139 1054442848 /nfs/dbraw/zinc/44/28/48/1054442848.db2.gz VZHCEKAYROEALL-OAHLLOKOSA-N 1 0 329.440 4.176 20 10 EICDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000776012353 1054445214 /nfs/dbraw/zinc/44/52/14/1054445214.db2.gz YSIGQOQAOMKUAE-QZTJIDSGSA-N 1 0 325.452 4.382 20 10 EICDRO Cc1cccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(C)C)c1 ZINC000858287225 1054454213 /nfs/dbraw/zinc/45/42/13/1054454213.db2.gz OPVLIPPFKHMDGE-QFIPXVFZSA-N 1 0 338.495 4.319 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343219 1054468142 /nfs/dbraw/zinc/46/81/42/1054468142.db2.gz ZJSDCSOXJSWDBY-NRFANRHFSA-N 1 0 339.483 4.177 20 10 EICDRO CCC(O)(CC)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001199830490 1054475559 /nfs/dbraw/zinc/47/55/59/1054475559.db2.gz LZWPPFKDMVVUHU-UHFFFAOYSA-N 1 0 332.513 4.025 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1Cn1cccn1 ZINC000873007094 1054476622 /nfs/dbraw/zinc/47/66/22/1054476622.db2.gz FWLLZZNIVOOLIS-QGZVFWFLSA-N 1 0 335.451 4.099 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)cc1Cn1cccn1 ZINC000873021305 1054479861 /nfs/dbraw/zinc/47/98/61/1054479861.db2.gz LCOSISCXVXXVKT-HNNXBMFYSA-N 1 0 341.480 4.161 20 10 EICDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000873050426 1054482654 /nfs/dbraw/zinc/48/26/54/1054482654.db2.gz WCPSFWYNJYGTEW-CQSZACIVSA-N 1 0 339.439 4.217 20 10 EICDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000858425003 1054487629 /nfs/dbraw/zinc/48/76/29/1054487629.db2.gz AWAVCKLBQXIHJW-PBHICJAKSA-N 1 0 329.513 4.116 20 10 EICDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1O ZINC000858458908 1054494600 /nfs/dbraw/zinc/49/46/00/1054494600.db2.gz LOKUKQKNFBYQGC-XNHCUKIZSA-N 1 0 329.827 4.043 20 10 EICDRO CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000873168456 1054496699 /nfs/dbraw/zinc/49/66/99/1054496699.db2.gz ATADMQKEQGHTIU-UHFFFAOYSA-N 1 0 343.780 4.110 20 10 EICDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873185117 1054504266 /nfs/dbraw/zinc/50/42/66/1054504266.db2.gz PAGCPDPSFOWGSY-LLVKDONJSA-N 1 0 340.345 4.056 20 10 EICDRO Cc1cc(CN[C@H](C)c2cc3n(n2)CCC3)c(C)n1-c1ccccc1 ZINC000858541527 1054513440 /nfs/dbraw/zinc/51/34/40/1054513440.db2.gz BGQSULCDHSVFGE-MRXNPFEDSA-N 1 0 334.467 4.088 20 10 EICDRO c1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCC2)cc1 ZINC000105430858 1054520732 /nfs/dbraw/zinc/52/07/32/1054520732.db2.gz JBGKMWZXYDOJNL-QFIPXVFZSA-N 1 0 336.479 4.154 20 10 EICDRO COc1cc(C[N@H+](C)Cc2ccc(C)cn2)c(O)c(C(C)(C)C)c1 ZINC000825671883 1054521890 /nfs/dbraw/zinc/52/18/90/1054521890.db2.gz RLDJTXNZNWVWMT-UHFFFAOYSA-N 1 0 328.456 4.034 20 10 EICDRO C[C@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC000858574441 1054523720 /nfs/dbraw/zinc/52/37/20/1054523720.db2.gz KRVWZXIGDAFGFJ-ZBEGNZNMSA-N 1 0 340.250 4.473 20 10 EICDRO C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cc(F)ccc1O ZINC000858591665 1054528061 /nfs/dbraw/zinc/52/80/61/1054528061.db2.gz XQRQFXKUGRQTFK-LLVKDONJSA-N 1 0 327.321 4.487 20 10 EICDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858604674 1054533697 /nfs/dbraw/zinc/53/36/97/1054533697.db2.gz OCGPDECHEVOZGW-YCRPNKLZSA-N 1 0 339.483 4.348 20 10 EICDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000825691763 1054588372 /nfs/dbraw/zinc/58/83/72/1054588372.db2.gz BBLNXACWFQMGIR-VIFPVBQESA-N 1 0 340.183 4.365 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c2ccccc2n1 ZINC000124847792 1054631741 /nfs/dbraw/zinc/63/17/41/1054631741.db2.gz XDMDIHLKYKOUAJ-OAHLLOKOSA-N 1 0 335.451 4.160 20 10 EICDRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001201035594 1054643494 /nfs/dbraw/zinc/64/34/94/1054643494.db2.gz IBSTZVWXWBSQKD-UHFFFAOYSA-N 1 0 343.467 4.017 20 10 EICDRO Cc1cc(O)c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1Cl ZINC000825732101 1054659991 /nfs/dbraw/zinc/65/99/91/1054659991.db2.gz OKYHMEWQZQTPDR-KRWDZBQOSA-N 1 0 346.858 4.351 20 10 EICDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@]43C)cc2)CC1 ZINC000860047611 1054763258 /nfs/dbraw/zinc/76/32/58/1054763258.db2.gz FGRIRFQDNUSGNI-RXVVDRJESA-N 1 0 328.500 4.066 20 10 EICDRO CC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000776158743 1054766562 /nfs/dbraw/zinc/76/65/62/1054766562.db2.gz VJJHJVPNDCQGPJ-NJYVYQBISA-N 1 0 342.527 4.216 20 10 EICDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2Br)cc1C ZINC001201379753 1054783217 /nfs/dbraw/zinc/78/32/17/1054783217.db2.gz HJBNNMKEYDHACW-AWEZNQCLSA-N 1 0 348.284 4.487 20 10 EICDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000776166738 1054795267 /nfs/dbraw/zinc/79/52/67/1054795267.db2.gz DQQQDCBHCNXMRZ-UZLBHIALSA-N 1 0 348.506 4.264 20 10 EICDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000776168776 1054800291 /nfs/dbraw/zinc/80/02/91/1054800291.db2.gz KXEYLZROVCMAJO-SIFCLUCFSA-N 1 0 330.447 4.319 20 10 EICDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000776168775 1054800616 /nfs/dbraw/zinc/80/06/16/1054800616.db2.gz KXEYLZROVCMAJO-MDOVXXIYSA-N 1 0 330.447 4.319 20 10 EICDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)ccc1O)CC2 ZINC000776174138 1054803860 /nfs/dbraw/zinc/80/38/60/1054803860.db2.gz ANFJDIYHLHGWRX-MRXNPFEDSA-N 1 0 332.241 4.240 20 10 EICDRO CCOCc1cc(C[NH2+][C@@H]2CCc3ccc(C)cc32)ccc1OC ZINC000776174140 1054804124 /nfs/dbraw/zinc/80/41/24/1054804124.db2.gz AQKKDSASMURIHX-HXUWFJFHSA-N 1 0 325.452 4.317 20 10 EICDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(Cl)n1 ZINC000075611465 1054814733 /nfs/dbraw/zinc/81/47/33/1054814733.db2.gz LDCBJKUXRUBJOM-UHFFFAOYSA-N 1 0 329.875 4.357 20 10 EICDRO CC(C)Nc1ccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001201498184 1054819988 /nfs/dbraw/zinc/81/99/88/1054819988.db2.gz RGDBFAOTCHFLKH-UHFFFAOYSA-N 1 0 342.462 4.141 20 10 EICDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001201832625 1054927457 /nfs/dbraw/zinc/92/74/57/1054927457.db2.gz CREOCPLZONRFMV-MAUKXSAKSA-N 1 0 349.515 4.382 20 10 EICDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2ccnc2)c1 ZINC000776216762 1054928157 /nfs/dbraw/zinc/92/81/57/1054928157.db2.gz FPTOQEQNZIBXMY-GOSISDBHSA-N 1 0 346.478 4.323 20 10 EICDRO Cc1cccc(O)c1C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000876630651 1054939631 /nfs/dbraw/zinc/93/96/31/1054939631.db2.gz HMKRPHHNNZSWRF-GHMZBOCLSA-N 1 0 341.295 4.263 20 10 EICDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)cc1F ZINC001201871883 1054940527 /nfs/dbraw/zinc/94/05/27/1054940527.db2.gz BVTKXXZVSFHUBS-IIBYNOLFSA-N 1 0 344.474 4.274 20 10 EICDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876949692 1054988394 /nfs/dbraw/zinc/98/83/94/1054988394.db2.gz VJKJHVKLEGAUAE-UHFFFAOYSA-N 1 0 335.831 4.051 20 10 EICDRO CC[C@@](C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877046071 1055007023 /nfs/dbraw/zinc/00/70/23/1055007023.db2.gz HQMQZLAPLYPAKA-JOCHJYFZSA-N 1 0 338.495 4.063 20 10 EICDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825935147 1055024187 /nfs/dbraw/zinc/02/41/87/1055024187.db2.gz NWHKJDPYCIZDQM-HNNXBMFYSA-N 1 0 335.245 4.133 20 10 EICDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000126365382 1055028482 /nfs/dbraw/zinc/02/84/82/1055028482.db2.gz QVDSNQFSARAKST-OAHLLOKOSA-N 1 0 343.446 4.070 20 10 EICDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326513 1055048929 /nfs/dbraw/zinc/04/89/29/1055048929.db2.gz PHNJHGWHDYWCGU-LRDDRELGSA-N 1 0 347.256 4.133 20 10 EICDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1O ZINC000776253686 1055058399 /nfs/dbraw/zinc/05/83/99/1055058399.db2.gz OBGINZIRPJTZSZ-UHFFFAOYSA-N 1 0 334.847 4.216 20 10 EICDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)cc1Cn1cccn1 ZINC001202202749 1055083736 /nfs/dbraw/zinc/08/37/36/1055083736.db2.gz GLETYOYGCWCBAZ-SCTDSRPQSA-N 1 0 341.499 4.102 20 10 EICDRO Oc1ccc(-c2ccccc2)cc1CNc1c[nH+]ccc1-n1cccn1 ZINC000776257325 1055094896 /nfs/dbraw/zinc/09/48/96/1055094896.db2.gz LJZNVMOYSDYDOP-UHFFFAOYSA-N 1 0 342.402 4.252 20 10 EICDRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1O ZINC000877756582 1055113828 /nfs/dbraw/zinc/11/38/28/1055113828.db2.gz VPFPHJSJWHHUBN-CYBMUJFWSA-N 1 0 330.453 4.017 20 10 EICDRO C[C@@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccccc1O ZINC000877755814 1055114410 /nfs/dbraw/zinc/11/44/10/1055114410.db2.gz NOZLNLWKWCGRKP-OAHLLOKOSA-N 1 0 338.476 4.485 20 10 EICDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(C(F)(F)F)c1 ZINC000877755953 1055114881 /nfs/dbraw/zinc/11/48/81/1055114881.db2.gz USRXZFZGTZLOTN-LLVKDONJSA-N 1 0 325.330 4.270 20 10 EICDRO Cc1cccc(O)c1C[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000877807457 1055123413 /nfs/dbraw/zinc/12/34/13/1055123413.db2.gz RGKCJGDQMDKKIU-UHFFFAOYSA-N 1 0 330.737 4.058 20 10 EICDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC(C)C)c2ccccc2)c1 ZINC000794461410 1055125822 /nfs/dbraw/zinc/12/58/22/1055125822.db2.gz JMIFXQPQKRTAJQ-YWZLYKJASA-N 1 0 329.440 4.218 20 10 EICDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202323481 1055139673 /nfs/dbraw/zinc/13/96/73/1055139673.db2.gz WWGLEHJUXWVWCH-BBRMVZONSA-N 1 0 337.305 4.328 20 10 EICDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H]1CCCOC1 ZINC000780745998 1055209339 /nfs/dbraw/zinc/20/93/39/1055209339.db2.gz KXHNMYIJSOUPBV-JZXOWHBKSA-N 1 0 334.479 4.282 20 10 EICDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1Cl ZINC000825536779 1055233084 /nfs/dbraw/zinc/23/30/84/1055233084.db2.gz NDNMJSDIFRVOJM-UHFFFAOYSA-N 1 0 343.858 4.266 20 10 EICDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2oc(-c3ccccc3)nc2C)c1 ZINC000878360634 1055266646 /nfs/dbraw/zinc/26/66/46/1055266646.db2.gz QINIBQUWKBNVIM-CYBMUJFWSA-N 1 0 338.407 4.215 20 10 EICDRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(C)cc2O)CC1 ZINC000186361562 1055391454 /nfs/dbraw/zinc/39/14/54/1055391454.db2.gz IGFVKBSAGHHOQE-QGZVFWFLSA-N 1 0 339.483 4.016 20 10 EICDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1C ZINC000765814872 1055504787 /nfs/dbraw/zinc/50/47/87/1055504787.db2.gz IWJMZSYRBMKQLR-LIRRHRJNSA-N 1 0 333.859 4.221 20 10 EICDRO COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)CCO2)cc1 ZINC001168619691 1055591827 /nfs/dbraw/zinc/59/18/27/1055591827.db2.gz ZTTFKSULPXDWST-GHTZIAJQSA-N 1 0 341.451 4.022 20 10 EICDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875244 1056040372 /nfs/dbraw/zinc/04/03/72/1056040372.db2.gz YRDKJZGUSKONEY-RXVVDRJESA-N 1 0 341.543 4.202 20 10 EICDRO Cc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165261 1058525281 /nfs/dbraw/zinc/52/52/81/1058525281.db2.gz JEJQHBXMIRSBRP-DYESRHJHSA-N 1 0 325.452 4.279 20 10 EICDRO Cc1ccccc1[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)[C@@H](C)CO1 ZINC000742167806 1058529250 /nfs/dbraw/zinc/52/92/50/1058529250.db2.gz JBGAQWJYQCMHNI-KSFYIVLOSA-N 1 0 348.446 4.211 20 10 EICDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000742369414 1058595584 /nfs/dbraw/zinc/59/55/84/1058595584.db2.gz FYTMRWZCTXPNQT-GDBMZVCRSA-N 1 0 338.442 4.425 20 10 EICDRO CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCCO[C@@H]21 ZINC000742376788 1058602521 /nfs/dbraw/zinc/60/25/21/1058602521.db2.gz HGZULDOFIGCISK-NRSPTQNISA-N 1 0 337.463 4.352 20 10 EICDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)Oc1ccccc1Cl ZINC000742379226 1058604357 /nfs/dbraw/zinc/60/43/57/1058604357.db2.gz OCKQICJUQGDLMS-CYBMUJFWSA-N 1 0 336.838 4.102 20 10 EICDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)CCC2 ZINC000743382170 1058963799 /nfs/dbraw/zinc/96/37/99/1058963799.db2.gz DLJMTZTUYITVBH-INIZCTEOSA-N 1 0 339.504 4.495 20 10 EICDRO Clc1ccc2c(CC[NH2+]Cc3ccc4c(c3)CCO4)c[nH]c2c1 ZINC000745176645 1059778226 /nfs/dbraw/zinc/77/82/26/1059778226.db2.gz ZTFGAHMPMZQBAH-UHFFFAOYSA-N 1 0 326.827 4.089 20 10 EICDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000766331511 1059830639 /nfs/dbraw/zinc/83/06/39/1059830639.db2.gz RXZFQGJGAKMALA-ZBFHGGJFSA-N 1 0 341.451 4.180 20 10 EICDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(C)cc(C)c1 ZINC001169753928 1060940666 /nfs/dbraw/zinc/94/06/66/1060940666.db2.gz DNGJXNMOVRMBFP-NRFANRHFSA-N 1 0 327.468 4.345 20 10 EICDRO Cc1oc2ccccc2c1C[NH2+]Cc1cc(Br)ccc1O ZINC000767193721 1061142949 /nfs/dbraw/zinc/14/29/49/1061142949.db2.gz DTHYSTBMJSJFRR-UHFFFAOYSA-N 1 0 346.224 4.499 20 10 EICDRO