smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915665 /nfs/dbraw/zinc/91/56/65/1031915665.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 1 3 329.532 3.900 20 10 EHCDHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972822 1031915676 /nfs/dbraw/zinc/91/56/76/1031915676.db2.gz COCXHWWVIYZVJF-AZUAARDMSA-N 1 3 329.532 3.900 20 10 EHCDHO CCc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748808 1134988731 /nfs/dbraw/zinc/98/87/31/1134988731.db2.gz UISYEMMXQDHXFZ-NRFANRHFSA-N 1 3 330.516 3.780 20 10 EHCDHO CCc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748808 1134988736 /nfs/dbraw/zinc/98/87/36/1134988736.db2.gz UISYEMMXQDHXFZ-NRFANRHFSA-N 1 3 330.516 3.780 20 10 EHCDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767519 1135879898 /nfs/dbraw/zinc/87/98/98/1135879898.db2.gz NFYCSGRPFUIVSG-TZIWHRDSSA-N 1 3 327.516 3.593 20 10 EHCDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767519 1135879901 /nfs/dbraw/zinc/87/99/01/1135879901.db2.gz NFYCSGRPFUIVSG-TZIWHRDSSA-N 1 3 327.516 3.593 20 10 EHCDHO COc1cc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120074 1136212194 /nfs/dbraw/zinc/21/21/94/1136212194.db2.gz VNWOFYAKWHYHQU-INIZCTEOSA-N 1 3 348.531 3.908 20 10 EHCDHO COc1cc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120074 1136212197 /nfs/dbraw/zinc/21/21/97/1136212197.db2.gz VNWOFYAKWHYHQU-INIZCTEOSA-N 1 3 348.531 3.908 20 10 EHCDHO COc1cc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120074 1136212200 /nfs/dbraw/zinc/21/22/00/1136212200.db2.gz VNWOFYAKWHYHQU-INIZCTEOSA-N 1 3 348.531 3.908 20 10 EHCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c([O-])c1 ZINC000850482140 1136267704 /nfs/dbraw/zinc/26/77/04/1136267704.db2.gz HWZFGBIBAIFJFS-KRWDZBQOSA-N 1 3 346.515 3.551 20 10 EHCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000817901606 1136844875 /nfs/dbraw/zinc/84/48/75/1136844875.db2.gz CRHXHHCRTCJDET-BHDDXSALSA-N 1 3 341.543 3.933 20 10 EHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1[O-] ZINC000873236612 1137594778 /nfs/dbraw/zinc/59/47/78/1137594778.db2.gz YJZHCAGPLJHKFJ-ZDUSSCGKSA-N 1 3 330.859 3.851 20 10 EHCDHO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000186518359 1140207746 /nfs/dbraw/zinc/20/77/46/1140207746.db2.gz ZUJMGBVSBUKLKF-OWCLPIDISA-N 1 3 332.488 3.704 20 10 EHCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769471869 1133297299 /nfs/dbraw/zinc/29/72/99/1133297299.db2.gz XPPGXPWCYYWZSW-RXVVDRJESA-N 1 3 329.532 3.982 20 10 EHCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769471869 1133297304 /nfs/dbraw/zinc/29/73/04/1133297304.db2.gz XPPGXPWCYYWZSW-RXVVDRJESA-N 1 3 329.532 3.982 20 10 EHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817934094 1136846798 /nfs/dbraw/zinc/84/67/98/1136846798.db2.gz BXKNXPDTAQPEGY-JKSUJKDBSA-N 1 3 340.515 3.505 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873272289 1137595952 /nfs/dbraw/zinc/59/59/52/1137595952.db2.gz QGWLLLFLDYFCQY-RYUDHWBXSA-N 1 3 341.293 3.502 20 10 EHCDHO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000186518343 1140207789 /nfs/dbraw/zinc/20/77/89/1140207789.db2.gz ZUJMGBVSBUKLKF-ARFHVFGLSA-N 1 3 332.488 3.704 20 10 EHCDHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113406 1025984625 /nfs/dbraw/zinc/98/46/25/1025984625.db2.gz SLLWUJHZUXXSKX-IAGOWNOFSA-N 1 3 333.495 3.808 20 10 EHCDHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113406 1025984640 /nfs/dbraw/zinc/98/46/40/1025984640.db2.gz SLLWUJHZUXXSKX-IAGOWNOFSA-N 1 3 333.495 3.808 20 10 EHCDHO CCN(CC)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236916730 1040186908 /nfs/dbraw/zinc/18/69/08/1040186908.db2.gz UZJWGKAZPDUYFD-KDURUIRLSA-N 1 3 347.547 3.512 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1[O-] ZINC000817981517 1136854991 /nfs/dbraw/zinc/85/49/91/1136854991.db2.gz SPGWFOJSHPZTJE-GXTWGEPZSA-N 1 3 341.293 3.646 20 10 EHCDHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113137 1025984491 /nfs/dbraw/zinc/98/44/91/1025984491.db2.gz SLLWUJHZUXXSKX-SJORKVTESA-N 1 3 333.495 3.808 20 10 EHCDHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000158113137 1025984499 /nfs/dbraw/zinc/98/44/99/1025984499.db2.gz SLLWUJHZUXXSKX-SJORKVTESA-N 1 3 333.495 3.808 20 10 EHCDHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406932 1127608346 /nfs/dbraw/zinc/60/83/46/1127608346.db2.gz WRDZNPKNNGGVKH-WFXMLNOXSA-N 1 3 347.547 3.683 20 10 EHCDHO CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c([O-])c1 ZINC000922509060 1129557437 /nfs/dbraw/zinc/55/74/37/1129557437.db2.gz IHYKGXFLNMVQHV-UHFFFAOYSA-N 1 3 332.488 3.678 20 10 EHCDHO Cc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375597 1131717735 /nfs/dbraw/zinc/71/77/35/1131717735.db2.gz SKQGXRDCGBLZKN-JXFKEZNVSA-N 1 3 325.500 3.975 20 10 EHCDHO Cc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375597 1131717740 /nfs/dbraw/zinc/71/77/40/1131717740.db2.gz SKQGXRDCGBLZKN-JXFKEZNVSA-N 1 3 325.500 3.975 20 10 EHCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000768302662 1133122392 /nfs/dbraw/zinc/12/23/92/1133122392.db2.gz JKTHAIPWXQNTRK-UHFFFAOYSA-N 1 3 334.504 3.735 20 10 EHCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000768302662 1133122395 /nfs/dbraw/zinc/12/23/95/1133122395.db2.gz JKTHAIPWXQNTRK-UHFFFAOYSA-N 1 3 334.504 3.735 20 10 EHCDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(F)c(N(C)C)cc1F ZINC001199336001 1135898993 /nfs/dbraw/zinc/89/89/93/1135898993.db2.gz FZYCXKYWAGPBOZ-HNNXBMFYSA-N 1 3 339.474 3.775 20 10 EHCDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(F)c(N(C)C)cc1F ZINC001199336001 1135898997 /nfs/dbraw/zinc/89/89/97/1135898997.db2.gz FZYCXKYWAGPBOZ-HNNXBMFYSA-N 1 3 339.474 3.775 20 10 EHCDHO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942308 1136849163 /nfs/dbraw/zinc/84/91/63/1136849163.db2.gz OCALGYBEDCNJAV-PZJWPPBQSA-N 1 3 348.494 3.901 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817946798 1136849984 /nfs/dbraw/zinc/84/99/84/1136849984.db2.gz DYKYQTZJSJOXRN-FRRDWIJNSA-N 1 3 341.293 3.502 20 10 EHCDHO CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183425623 1140037604 /nfs/dbraw/zinc/03/76/04/1140037604.db2.gz BMYPUFKCHBCWCN-QGZVFWFLSA-N 1 3 342.483 3.964 20 10 EHCDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406926 1127608517 /nfs/dbraw/zinc/60/85/17/1127608517.db2.gz WRDZNPKNNGGVKH-OPYAIIAOSA-N 1 3 347.547 3.683 20 10 EHCDHO Cc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375605 1131717433 /nfs/dbraw/zinc/71/74/33/1131717433.db2.gz SKQGXRDCGBLZKN-UZLBHIALSA-N 1 3 325.500 3.975 20 10 EHCDHO Cc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375605 1131717436 /nfs/dbraw/zinc/71/74/36/1131717436.db2.gz SKQGXRDCGBLZKN-UZLBHIALSA-N 1 3 325.500 3.975 20 10 EHCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769471867 1133297521 /nfs/dbraw/zinc/29/75/21/1133297521.db2.gz XPPGXPWCYYWZSW-GHTZIAJQSA-N 1 3 329.532 3.982 20 10 EHCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769471867 1133297525 /nfs/dbraw/zinc/29/75/25/1133297525.db2.gz XPPGXPWCYYWZSW-GHTZIAJQSA-N 1 3 329.532 3.982 20 10 EHCDHO CCc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748811 1134988794 /nfs/dbraw/zinc/98/87/94/1134988794.db2.gz UISYEMMXQDHXFZ-OAQYLSRUSA-N 1 3 330.516 3.780 20 10 EHCDHO CCc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793748811 1134988801 /nfs/dbraw/zinc/98/88/01/1134988801.db2.gz UISYEMMXQDHXFZ-OAQYLSRUSA-N 1 3 330.516 3.780 20 10 EHCDHO COc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245467 1136951915 /nfs/dbraw/zinc/95/19/15/1136951915.db2.gz JGIHNRUDMVHJDA-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO COc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245467 1136951917 /nfs/dbraw/zinc/95/19/17/1136951917.db2.gz JGIHNRUDMVHJDA-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO COc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245467 1136951919 /nfs/dbraw/zinc/95/19/19/1136951919.db2.gz JGIHNRUDMVHJDA-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804492 1137255238 /nfs/dbraw/zinc/25/52/38/1137255238.db2.gz MXXAFPAXNCCPMS-LMMKCTJWSA-N 1 3 334.504 3.631 20 10 EHCDHO CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804495 1137255278 /nfs/dbraw/zinc/25/52/78/1137255278.db2.gz MXXAFPAXNCCPMS-ZIFCJYIRSA-N 1 3 334.504 3.631 20 10 EHCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804495 1137255280 /nfs/dbraw/zinc/25/52/80/1137255280.db2.gz MXXAFPAXNCCPMS-ZIFCJYIRSA-N 1 3 334.504 3.631 20 10 EHCDHO Cc1cccc([O-])c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000876990801 1137667176 /nfs/dbraw/zinc/66/71/76/1137667176.db2.gz MKHFKTQZWMKLAI-UHFFFAOYSA-N 1 3 330.497 3.764 20 10 EHCDHO Cc1cc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)cc1C(C)C ZINC000023847478 1020966924 /nfs/dbraw/zinc/96/69/24/1020966924.db2.gz ITKFVHKWJLXFDY-UHFFFAOYSA-N 1 3 325.456 3.541 20 10 EHCDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC001648986294 1120323712 /nfs/dbraw/zinc/32/37/12/1120323712.db2.gz RDJMJOSWQRBZJA-INIZCTEOSA-N 1 3 331.529 3.814 20 10 EHCDHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888788 /nfs/dbraw/zinc/88/87/88/1135888788.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 1 3 343.437 3.543 20 10 EHCDHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765508 1135888792 /nfs/dbraw/zinc/88/87/92/1135888792.db2.gz NHERAFWQBXMSTO-SUMWQHHRSA-N 1 3 343.437 3.543 20 10 EHCDHO Cc1cc(Br)cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[O-] ZINC000824913634 1137156550 /nfs/dbraw/zinc/15/65/50/1137156550.db2.gz CZLHYCYKBBEJOW-UHFFFAOYSA-N 1 3 343.309 3.673 20 10 EHCDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907467 1127548673 /nfs/dbraw/zinc/54/86/73/1127548673.db2.gz HGUYFFZUZODMNO-LJQANCHMSA-N 1 3 347.547 3.686 20 10 EHCDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907467 1127548676 /nfs/dbraw/zinc/54/86/76/1127548676.db2.gz HGUYFFZUZODMNO-LJQANCHMSA-N 1 3 347.547 3.686 20 10 EHCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C(C)C ZINC000746644659 1133960717 /nfs/dbraw/zinc/96/07/17/1133960717.db2.gz BPFMFEYGMXKPMJ-FBBABVLZSA-N 1 3 346.515 3.508 20 10 EHCDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792938913 1134820957 /nfs/dbraw/zinc/82/09/57/1134820957.db2.gz GXJPZINQWVUCJJ-AWEZNQCLSA-N 1 3 343.437 3.593 20 10 EHCDHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000122307834 1138256930 /nfs/dbraw/zinc/25/69/30/1138256930.db2.gz UNXOMXFMMLMFLJ-QGZVFWFLSA-N 1 3 341.499 3.544 20 10 EHCDHO CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000850516710 1136275924 /nfs/dbraw/zinc/27/59/24/1136275924.db2.gz LKPHCCORBVDWHJ-FQEVSTJZSA-N 1 3 339.483 3.740 20 10 EHCDHO COc1cccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232251 1137594423 /nfs/dbraw/zinc/59/44/23/1137594423.db2.gz NSYOMCCGLUCDRL-QAPCUYQASA-N 1 3 332.488 3.520 20 10 EHCDHO COc1cccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232251 1137594424 /nfs/dbraw/zinc/59/44/24/1137594424.db2.gz NSYOMCCGLUCDRL-QAPCUYQASA-N 1 3 332.488 3.520 20 10 EHCDHO COc1cc(Cl)cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1[O-] ZINC000877696958 1137686152 /nfs/dbraw/zinc/68/61/52/1137686152.db2.gz CVJAJKCLFMCPJV-UHFFFAOYSA-N 1 3 340.895 3.654 20 10 EHCDHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915283 /nfs/dbraw/zinc/91/52/83/1031915283.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 1 3 329.532 3.900 20 10 EHCDHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972825 1031915293 /nfs/dbraw/zinc/91/52/93/1031915293.db2.gz COCXHWWVIYZVJF-UYAOXDASSA-N 1 3 329.532 3.900 20 10 EHCDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(F)c(N(C)C)cc1F ZINC001199336003 1135899275 /nfs/dbraw/zinc/89/92/75/1135899275.db2.gz FZYCXKYWAGPBOZ-OAHLLOKOSA-N 1 3 339.474 3.775 20 10 EHCDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(F)c(N(C)C)cc1F ZINC001199336003 1135899276 /nfs/dbraw/zinc/89/92/76/1135899276.db2.gz FZYCXKYWAGPBOZ-OAHLLOKOSA-N 1 3 339.474 3.775 20 10 EHCDHO COc1cc(CNC2CC[NH+](C3CCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850092765 1136209584 /nfs/dbraw/zinc/20/95/84/1136209584.db2.gz SAHBZCDCUTYIAW-UHFFFAOYSA-N 1 3 346.515 3.805 20 10 EHCDHO CC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241076 1136521542 /nfs/dbraw/zinc/52/15/42/1136521542.db2.gz UGJWCAGMNXFNAI-NQIIRXRSSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241076 1136521543 /nfs/dbraw/zinc/52/15/43/1136521543.db2.gz UGJWCAGMNXFNAI-NQIIRXRSSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241076 1136521544 /nfs/dbraw/zinc/52/15/44/1136521544.db2.gz UGJWCAGMNXFNAI-NQIIRXRSSA-N 1 3 329.532 3.915 20 10 EHCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817899277 1136844796 /nfs/dbraw/zinc/84/47/96/1136844796.db2.gz NKOWKRIJFGIIEQ-NJDAHSKKSA-N 1 3 327.516 3.687 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1[O-] ZINC000817975737 1136854406 /nfs/dbraw/zinc/85/44/06/1136854406.db2.gz AIAYUTPJCNRCGX-VXGBXAGGSA-N 1 3 329.282 3.631 20 10 EHCDHO CC1(C)C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001171982676 1137526539 /nfs/dbraw/zinc/52/65/39/1137526539.db2.gz JOVHMRMSPWZVPE-GOSISDBHSA-N 1 3 340.467 3.631 20 10 EHCDHO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000184933742 1140126200 /nfs/dbraw/zinc/12/62/00/1140126200.db2.gz IJYKILQPOGDTLI-HNNXBMFYSA-N 1 3 328.431 3.978 20 10 EHCDHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c([O-])c1 ZINC000185870208 1035552771 /nfs/dbraw/zinc/55/27/71/1035552771.db2.gz PKQBZDQKNGUWAF-MRXNPFEDSA-N 1 3 325.456 3.663 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000080338646 1041159237 /nfs/dbraw/zinc/15/92/37/1041159237.db2.gz YHSDSXOQNBFBAS-UTKZUKDTSA-N 1 3 336.479 3.764 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338646 1041159245 /nfs/dbraw/zinc/15/92/45/1041159245.db2.gz YHSDSXOQNBFBAS-UTKZUKDTSA-N 1 3 336.479 3.764 20 10 EHCDHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375603 1131717875 /nfs/dbraw/zinc/71/78/75/1131717875.db2.gz SKQGXRDCGBLZKN-OXJNMPFZSA-N 1 3 325.500 3.975 20 10 EHCDHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375603 1131717879 /nfs/dbraw/zinc/71/78/79/1131717879.db2.gz SKQGXRDCGBLZKN-OXJNMPFZSA-N 1 3 325.500 3.975 20 10 EHCDHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)CCO4)C3)cc1 ZINC000774163575 1133626596 /nfs/dbraw/zinc/62/65/96/1133626596.db2.gz RZLHKKJBVPVLOL-DKUWSORSSA-N 1 3 348.490 3.907 20 10 EHCDHO C[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)Cc1ccccc1 ZINC001200940982 1135971251 /nfs/dbraw/zinc/97/12/51/1135971251.db2.gz BQTYIMONFOKYJP-KRWDZBQOSA-N 1 3 343.490 3.892 20 10 EHCDHO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c([O-])c1 ZINC000850516648 1136275643 /nfs/dbraw/zinc/27/56/43/1136275643.db2.gz HZYXQRNUEWWNHM-QGZVFWFLSA-N 1 3 339.483 3.658 20 10 EHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1[O-] ZINC000873236609 1137594732 /nfs/dbraw/zinc/59/47/32/1137594732.db2.gz YJZHCAGPLJHKFJ-CYBMUJFWSA-N 1 3 330.859 3.851 20 10 EHCDHO CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183425492 1140037153 /nfs/dbraw/zinc/03/71/53/1140037153.db2.gz XKKUMGWMBZDRHY-KRWDZBQOSA-N 1 3 342.483 3.964 20 10 EHCDHO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942307 1136849178 /nfs/dbraw/zinc/84/91/78/1136849178.db2.gz OCALGYBEDCNJAV-FPOVZHCZSA-N 1 3 348.494 3.901 20 10 EHCDHO CN(C)c1ccc(CN2CCC(C[NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC000792789781 1134789015 /nfs/dbraw/zinc/78/90/15/1134789015.db2.gz NLJNLVHKAFQLPU-UHFFFAOYSA-N 1 3 343.437 3.545 20 10 EHCDHO CCN(CC)c1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000817903703 1136844544 /nfs/dbraw/zinc/84/45/44/1136844544.db2.gz SQBHUFXLWQOHLL-CQSZACIVSA-N 1 3 344.478 3.685 20 10 EHCDHO CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183425605 1140037233 /nfs/dbraw/zinc/03/72/33/1140037233.db2.gz BMYPUFKCHBCWCN-KRWDZBQOSA-N 1 3 342.483 3.964 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657799 1132241383 /nfs/dbraw/zinc/24/13/83/1132241383.db2.gz UMRBKAGKMSZGNO-GHTZIAJQSA-N 1 3 337.511 3.895 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657799 1132241389 /nfs/dbraw/zinc/24/13/89/1132241389.db2.gz UMRBKAGKMSZGNO-GHTZIAJQSA-N 1 3 337.511 3.895 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c([O-])c1 ZINC000850516647 1136275977 /nfs/dbraw/zinc/27/59/77/1136275977.db2.gz HZYXQRNUEWWNHM-KRWDZBQOSA-N 1 3 339.483 3.658 20 10 EHCDHO CC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241075 1136521449 /nfs/dbraw/zinc/52/14/49/1136521449.db2.gz UGJWCAGMNXFNAI-GHTZIAJQSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241075 1136521451 /nfs/dbraw/zinc/52/14/51/1136521451.db2.gz UGJWCAGMNXFNAI-GHTZIAJQSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241075 1136521454 /nfs/dbraw/zinc/52/14/54/1136521454.db2.gz UGJWCAGMNXFNAI-GHTZIAJQSA-N 1 3 329.532 3.915 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1[O-] ZINC000817981520 1136854946 /nfs/dbraw/zinc/85/49/46/1136854946.db2.gz SPGWFOJSHPZTJE-TZMCWYRMSA-N 1 3 341.293 3.646 20 10 EHCDHO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000794833486 1137272850 /nfs/dbraw/zinc/27/28/50/1137272850.db2.gz FFNYCHRLQCPAGU-MNNVXMFVSA-N 1 3 328.500 3.939 20 10 EHCDHO CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1[O-] ZINC000155201444 1016293372 /nfs/dbraw/zinc/29/33/72/1016293372.db2.gz ZKKCXFTUPBJHLF-IBGZPJMESA-N 1 3 328.456 3.574 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1C ZINC000273599591 1027513331 /nfs/dbraw/zinc/51/33/31/1027513331.db2.gz RPPSZXYJSMJAHX-NUJGCVRESA-N 1 3 334.504 3.549 20 10 EHCDHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406923 1127608568 /nfs/dbraw/zinc/60/85/68/1127608568.db2.gz WRDZNPKNNGGVKH-LVCYWYKZSA-N 1 3 347.547 3.683 20 10 EHCDHO CCOc1cccc(CNC(C)(C)CC[NH+]2CCCCCC2)c1O ZINC000775364779 1134668125 /nfs/dbraw/zinc/66/81/25/1134668125.db2.gz MZQHSMBSEKEWMZ-UHFFFAOYSA-N 1 3 334.504 3.925 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873269493 1137595745 /nfs/dbraw/zinc/59/57/45/1137595745.db2.gz QGWLLLFLDYFCQY-VXGBXAGGSA-N 1 3 341.293 3.502 20 10 EHCDHO Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c([O-])c1 ZINC000876990479 1137667192 /nfs/dbraw/zinc/66/71/92/1137667192.db2.gz DYJVWDGULOOQEL-UHFFFAOYSA-N 1 3 330.497 3.764 20 10 EHCDHO COc1cccc([O-])c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000769544032 1133312169 /nfs/dbraw/zinc/31/21/69/1133312169.db2.gz RIKBMBRJMJCRMG-QGZVFWFLSA-N 1 3 346.515 3.877 20 10 EHCDHO COc1cccc([O-])c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000769544032 1133312175 /nfs/dbraw/zinc/31/21/75/1133312175.db2.gz RIKBMBRJMJCRMG-QGZVFWFLSA-N 1 3 346.515 3.877 20 10 EHCDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576510 1135852742 /nfs/dbraw/zinc/85/27/42/1135852742.db2.gz BPBFYSJLDRWDGS-NRFANRHFSA-N 1 3 349.522 3.633 20 10 EHCDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576510 1135852746 /nfs/dbraw/zinc/85/27/46/1135852746.db2.gz BPBFYSJLDRWDGS-NRFANRHFSA-N 1 3 349.522 3.633 20 10 EHCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000817901609 1136844475 /nfs/dbraw/zinc/84/44/75/1136844475.db2.gz CRHXHHCRTCJDET-YPAWHYETSA-N 1 3 341.543 3.933 20 10 EHCDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767517 1135879933 /nfs/dbraw/zinc/87/99/33/1135879933.db2.gz NFYCSGRPFUIVSG-FPOVZHCZSA-N 1 3 327.516 3.593 20 10 EHCDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767517 1135879937 /nfs/dbraw/zinc/87/99/37/1135879937.db2.gz NFYCSGRPFUIVSG-FPOVZHCZSA-N 1 3 327.516 3.593 20 10 EHCDHO CCOc1ccc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c([O-])c1 ZINC000809739381 1135883540 /nfs/dbraw/zinc/88/35/40/1135883540.db2.gz IWHVCTDLZJNTBC-UHFFFAOYSA-N 1 3 342.483 3.875 20 10 EHCDHO CCOc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)c([O-])c1 ZINC000809739381 1135883543 /nfs/dbraw/zinc/88/35/43/1135883543.db2.gz IWHVCTDLZJNTBC-UHFFFAOYSA-N 1 3 342.483 3.875 20 10 EHCDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888616 /nfs/dbraw/zinc/88/86/16/1135888616.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 1 3 343.437 3.543 20 10 EHCDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765397 1135888619 /nfs/dbraw/zinc/88/86/19/1135888619.db2.gz NHERAFWQBXMSTO-DYVFJYSZSA-N 1 3 343.437 3.543 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1[O-] ZINC000873239140 1137594824 /nfs/dbraw/zinc/59/48/24/1137594824.db2.gz OPRDXWNOTZVTLN-OBJOEFQTSA-N 1 3 341.293 3.631 20 10 EHCDHO CCN(Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004206 1024173525 /nfs/dbraw/zinc/17/35/25/1024173525.db2.gz RPWZGGPGUZSWBQ-CBQGHPETSA-N 1 3 341.543 3.980 20 10 EHCDHO CCN(Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004206 1024173530 /nfs/dbraw/zinc/17/35/30/1024173530.db2.gz RPWZGGPGUZSWBQ-CBQGHPETSA-N 1 3 341.543 3.980 20 10 EHCDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000163224290 1026900324 /nfs/dbraw/zinc/90/03/24/1026900324.db2.gz JKHZSAPHTQALSN-DLBZAZTESA-N 1 3 333.495 3.808 20 10 EHCDHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914919 /nfs/dbraw/zinc/91/49/19/1031914919.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 1 3 329.532 3.900 20 10 EHCDHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC000827972824 1031914936 /nfs/dbraw/zinc/91/49/36/1031914936.db2.gz COCXHWWVIYZVJF-QUCCMNQESA-N 1 3 329.532 3.900 20 10 EHCDHO CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646719 1121396652 /nfs/dbraw/zinc/39/66/52/1121396652.db2.gz BHFWFJPHAQUYIR-WMLDXEAASA-N 1 3 340.895 3.587 20 10 EHCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769471868 1133297116 /nfs/dbraw/zinc/29/71/16/1133297116.db2.gz XPPGXPWCYYWZSW-NQIIRXRSSA-N 1 3 329.532 3.982 20 10 EHCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769471868 1133297119 /nfs/dbraw/zinc/29/71/19/1133297119.db2.gz XPPGXPWCYYWZSW-NQIIRXRSSA-N 1 3 329.532 3.982 20 10 EHCDHO COc1cccc([O-])c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000769544031 1133312088 /nfs/dbraw/zinc/31/20/88/1133312088.db2.gz RIKBMBRJMJCRMG-KRWDZBQOSA-N 1 3 346.515 3.877 20 10 EHCDHO COc1cccc([O-])c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000769544031 1133312092 /nfs/dbraw/zinc/31/20/92/1133312092.db2.gz RIKBMBRJMJCRMG-KRWDZBQOSA-N 1 3 346.515 3.877 20 10 EHCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c([O-])c1 ZINC000850482141 1136267360 /nfs/dbraw/zinc/26/73/60/1136267360.db2.gz HWZFGBIBAIFJFS-QGZVFWFLSA-N 1 3 346.515 3.551 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817946795 1136849937 /nfs/dbraw/zinc/84/99/37/1136849937.db2.gz DYKYQTZJSJOXRN-AGIUHOORSA-N 1 3 341.293 3.502 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1[O-] ZINC000817975736 1136854275 /nfs/dbraw/zinc/85/42/75/1136854275.db2.gz AIAYUTPJCNRCGX-RYUDHWBXSA-N 1 3 329.282 3.631 20 10 EHCDHO CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000155201333 1016293860 /nfs/dbraw/zinc/29/38/60/1016293860.db2.gz BJAFMMCNUUCIOV-LJQANCHMSA-N 1 3 328.456 3.574 20 10 EHCDHO COc1ccc(N2CCC([NH2+]CCCN3CCCC[C@H]3C)CC2)cc1 ZINC000160267145 1015569150 /nfs/dbraw/zinc/56/91/50/1015569150.db2.gz UJNDNMYLBNVRMR-GOSISDBHSA-N 1 3 345.531 3.518 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c([O-])c1 ZINC000185870228 1035551184 /nfs/dbraw/zinc/55/11/84/1035551184.db2.gz PKQBZDQKNGUWAF-INIZCTEOSA-N 1 3 325.456 3.663 20 10 EHCDHO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767460 1135879599 /nfs/dbraw/zinc/87/95/99/1135879599.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 1 3 336.479 3.975 20 10 EHCDHO C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767460 1135879600 /nfs/dbraw/zinc/87/96/00/1135879600.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767460 1135879603 /nfs/dbraw/zinc/87/96/03/1135879603.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767460 1135879606 /nfs/dbraw/zinc/87/96/06/1135879606.db2.gz LNYZZSDUHYVQHM-PZJWPPBQSA-N 1 3 336.479 3.975 20 10 EHCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942309 1136848997 /nfs/dbraw/zinc/84/89/97/1136848997.db2.gz OCALGYBEDCNJAV-TZIWHRDSSA-N 1 3 348.494 3.901 20 10 EHCDHO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000794833487 1137272801 /nfs/dbraw/zinc/27/28/01/1137272801.db2.gz FFNYCHRLQCPAGU-VNCLNFNDSA-N 1 3 328.500 3.939 20 10 EHCDHO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168352753 1030782556 /nfs/dbraw/zinc/78/25/56/1030782556.db2.gz CIAXGWOIPUYOJG-UHFFFAOYSA-N 1 3 327.516 3.641 20 10 EHCDHO CN(Cc1cccs1)c1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000823840913 1137115876 /nfs/dbraw/zinc/11/58/76/1137115876.db2.gz DEZVGBVCXTVUGA-GOSISDBHSA-N 1 3 343.540 3.816 20 10 EHCDHO CN(Cc1cccs1)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000823840913 1137115877 /nfs/dbraw/zinc/11/58/77/1137115877.db2.gz DEZVGBVCXTVUGA-GOSISDBHSA-N 1 3 343.540 3.816 20 10 EHCDHO COc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232252 1137594476 /nfs/dbraw/zinc/59/44/76/1137594476.db2.gz NSYOMCCGLUCDRL-YJBOKZPZSA-N 1 3 332.488 3.520 20 10 EHCDHO COc1cccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232252 1137594477 /nfs/dbraw/zinc/59/44/77/1137594477.db2.gz NSYOMCCGLUCDRL-YJBOKZPZSA-N 1 3 332.488 3.520 20 10 EHCDHO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184901492 1140125111 /nfs/dbraw/zinc/12/51/11/1140125111.db2.gz UGWAHLHKDKSVMT-OAHLLOKOSA-N 1 3 328.431 3.978 20 10 EHCDHO CCCOc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000873050641 1137588890 /nfs/dbraw/zinc/58/88/90/1137588890.db2.gz ZAKUBQGEPSHPAO-HXUWFJFHSA-N 1 3 346.515 3.517 20 10 EHCDHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000122307608 1138256935 /nfs/dbraw/zinc/25/69/35/1138256935.db2.gz UNXOMXFMMLMFLJ-KRWDZBQOSA-N 1 3 341.499 3.544 20 10 EHCDHO CC[NH+]1CCC(N(C)Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000887558431 1138426749 /nfs/dbraw/zinc/42/67/49/1138426749.db2.gz SJJFGKISZSGORE-UHFFFAOYSA-N 1 3 334.504 3.614 20 10 EHCDHO C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000184933765 1140126332 /nfs/dbraw/zinc/12/63/32/1140126332.db2.gz IJYKILQPOGDTLI-OAHLLOKOSA-N 1 3 328.431 3.978 20 10 EHCDHO CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761191062 1034372363 /nfs/dbraw/zinc/37/23/63/1034372363.db2.gz KFFHZBMLHKKOMT-UHFFFAOYSA-N 1 3 340.895 3.608 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000080338650 1041149485 /nfs/dbraw/zinc/14/94/85/1041149485.db2.gz YHSDSXOQNBFBAS-UWJYYQICSA-N 1 3 336.479 3.764 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338650 1041149497 /nfs/dbraw/zinc/14/94/97/1041149497.db2.gz YHSDSXOQNBFBAS-UWJYYQICSA-N 1 3 336.479 3.764 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1[O-] ZINC000817964865 1136852333 /nfs/dbraw/zinc/85/23/33/1136852333.db2.gz LQUPXHDXRNAAES-GFCCVEGCSA-N 1 3 341.293 3.503 20 10 EHCDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000122259762 1138256250 /nfs/dbraw/zinc/25/62/50/1138256250.db2.gz WWJSXRCRFGDMCE-LQWHRVPQSA-N 1 3 347.547 3.540 20 10 EHCDHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000122259762 1138256252 /nfs/dbraw/zinc/25/62/52/1138256252.db2.gz WWJSXRCRFGDMCE-LQWHRVPQSA-N 1 3 347.547 3.540 20 10 EHCDHO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311025294 1033228475 /nfs/dbraw/zinc/22/84/75/1033228475.db2.gz CAEJPLFBBKXWBC-GHTZIAJQSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311025294 1033228481 /nfs/dbraw/zinc/22/84/81/1033228481.db2.gz CAEJPLFBBKXWBC-GHTZIAJQSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025294 1033228492 /nfs/dbraw/zinc/22/84/92/1033228492.db2.gz CAEJPLFBBKXWBC-GHTZIAJQSA-N 1 3 337.511 3.753 20 10 EHCDHO COc1ccc(O)c([C@@H](C)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000379636044 1132177960 /nfs/dbraw/zinc/17/79/60/1132177960.db2.gz WXMJZNCBOXBMBP-IAGOWNOFSA-N 1 3 342.483 3.962 20 10 EHCDHO COc1ccc(O)c([C@@H](C)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636044 1132177964 /nfs/dbraw/zinc/17/79/64/1132177964.db2.gz WXMJZNCBOXBMBP-IAGOWNOFSA-N 1 3 342.483 3.962 20 10 EHCDHO Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000817957984 1136852267 /nfs/dbraw/zinc/85/22/67/1136852267.db2.gz RTRHUFPJEVXNMH-MDNUFGMLSA-N 1 3 349.522 3.702 20 10 EHCDHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155244 /nfs/dbraw/zinc/15/52/44/1137155244.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 1 3 334.504 3.613 20 10 EHCDHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863441 1137155246 /nfs/dbraw/zinc/15/52/46/1137155246.db2.gz QPVKFEQHFZSSOC-GOEBONIOSA-N 1 3 334.504 3.613 20 10 EHCDHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000273599594 1027512939 /nfs/dbraw/zinc/51/29/39/1027512939.db2.gz RPPSZXYJSMJAHX-SOLBZPMBSA-N 1 3 334.504 3.549 20 10 EHCDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888401 /nfs/dbraw/zinc/88/84/01/1135888401.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 1 3 343.437 3.543 20 10 EHCDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765396 1135888403 /nfs/dbraw/zinc/88/84/03/1135888403.db2.gz NHERAFWQBXMSTO-CXAGYDPISA-N 1 3 343.437 3.543 20 10 EHCDHO [O-]c1ccccc1C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000852744799 1136483076 /nfs/dbraw/zinc/48/30/76/1136483076.db2.gz JIACGHWYDUGPOZ-UHFFFAOYSA-N 1 3 336.479 3.983 20 10 EHCDHO [O-]c1ccccc1C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000852744799 1136483079 /nfs/dbraw/zinc/48/30/79/1136483079.db2.gz JIACGHWYDUGPOZ-UHFFFAOYSA-N 1 3 336.479 3.983 20 10 EHCDHO COc1cc(C[N@@H+]2CCCC23CCN(C)CC3)c(O)c(C(C)(C)C)c1 ZINC000825620368 1137582647 /nfs/dbraw/zinc/58/26/47/1137582647.db2.gz AVJFSWFUONVYDN-UHFFFAOYSA-N 1 3 346.515 3.759 20 10 EHCDHO COc1cc(C[N@H+]2CCCC23CCN(C)CC3)c(O)c(C(C)(C)C)c1 ZINC000825620368 1137582648 /nfs/dbraw/zinc/58/26/48/1137582648.db2.gz AVJFSWFUONVYDN-UHFFFAOYSA-N 1 3 346.515 3.759 20 10 EHCDHO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000186518328 1140208143 /nfs/dbraw/zinc/20/81/43/1140208143.db2.gz ZUJMGBVSBUKLKF-HRCADAONSA-N 1 3 332.488 3.704 20 10 EHCDHO CCC[NH+]1CCC(NCc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850012728 1136199081 /nfs/dbraw/zinc/19/90/81/1136199081.db2.gz ODEUMTPCRDLFJI-UHFFFAOYSA-N 1 3 334.504 3.662 20 10 EHCDHO C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000873235320 1137594729 /nfs/dbraw/zinc/59/47/29/1137594729.db2.gz KXENSIFTTLEGRD-YVEFUNNKSA-N 1 3 326.415 3.515 20 10 EHCDHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000248183252 1040715603 /nfs/dbraw/zinc/71/56/03/1040715603.db2.gz WWJSXRCRFGDMCE-OPYAIIAOSA-N 1 3 347.547 3.540 20 10 EHCDHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000248183252 1040715620 /nfs/dbraw/zinc/71/56/20/1040715620.db2.gz WWJSXRCRFGDMCE-OPYAIIAOSA-N 1 3 347.547 3.540 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000080338642 1041159331 /nfs/dbraw/zinc/15/93/31/1041159331.db2.gz YHSDSXOQNBFBAS-LAUBAEHRSA-N 1 3 336.479 3.764 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338642 1041159337 /nfs/dbraw/zinc/15/93/37/1041159337.db2.gz YHSDSXOQNBFBAS-LAUBAEHRSA-N 1 3 336.479 3.764 20 10 EHCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C(C)C ZINC000746644663 1133960346 /nfs/dbraw/zinc/96/03/46/1133960346.db2.gz BPFMFEYGMXKPMJ-YFVAEKQCSA-N 1 3 346.515 3.508 20 10 EHCDHO Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000817957983 1136851923 /nfs/dbraw/zinc/85/19/23/1136851923.db2.gz RTRHUFPJEVXNMH-AKIFATBCSA-N 1 3 349.522 3.702 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1C ZINC000823955394 1137119117 /nfs/dbraw/zinc/11/91/17/1137119117.db2.gz KPYBWLVWBULAAF-AEFFLSMTSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955394 1137119119 /nfs/dbraw/zinc/11/91/19/1137119119.db2.gz KPYBWLVWBULAAF-AEFFLSMTSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000873235318 1137594719 /nfs/dbraw/zinc/59/47/19/1137594719.db2.gz KXENSIFTTLEGRD-SJCJKPOMSA-N 1 3 326.415 3.515 20 10 EHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000765406054 1127608285 /nfs/dbraw/zinc/60/82/85/1127608285.db2.gz LZIOFXFGGUXCDC-CEXWTWQISA-N 1 3 347.547 3.683 20 10 EHCDHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375604 1131717397 /nfs/dbraw/zinc/71/73/97/1131717397.db2.gz SKQGXRDCGBLZKN-OXQOHEQNSA-N 1 3 325.500 3.975 20 10 EHCDHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742375604 1131717400 /nfs/dbraw/zinc/71/74/00/1131717400.db2.gz SKQGXRDCGBLZKN-OXQOHEQNSA-N 1 3 325.500 3.975 20 10 EHCDHO CC[N@@H+]1CCC[C@@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098981 1136210952 /nfs/dbraw/zinc/21/09/52/1136210952.db2.gz PXEPIULDIYGVIT-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO CC[N@H+]1CCC[C@@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098981 1136210955 /nfs/dbraw/zinc/21/09/55/1136210955.db2.gz PXEPIULDIYGVIT-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817934093 1136846919 /nfs/dbraw/zinc/84/69/19/1136846919.db2.gz BXKNXPDTAQPEGY-HZPDHXFCSA-N 1 3 340.515 3.505 20 10 EHCDHO CCN(CC)c1ccc(CN(C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000824541577 1137143710 /nfs/dbraw/zinc/14/37/10/1137143710.db2.gz DZEOYAGSQFVMOG-UHFFFAOYSA-N 1 3 349.482 3.746 20 10 EHCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c([O-])c1 ZINC000185337029 1140146010 /nfs/dbraw/zinc/14/60/10/1140146010.db2.gz HESLUNGWYFRDTI-QGZVFWFLSA-N 1 3 342.483 3.882 20 10 EHCDHO COc1ccc(N2CCC([NH2+]CC[C@H](C)N3CCCCC3)CC2)cc1 ZINC000376798856 1017127065 /nfs/dbraw/zinc/12/70/65/1017127065.db2.gz KUNDPPIMIWSMIF-SFHVURJKSA-N 1 3 345.531 3.518 20 10 EHCDHO COc1ccc(N2CCC(NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000155828023 1038996349 /nfs/dbraw/zinc/99/63/49/1038996349.db2.gz CYJHXDWHFUEARL-UHFFFAOYSA-N 1 3 347.547 3.763 20 10 EHCDHO CC[N@H+](CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1)CC(C)C ZINC000809755972 1135887280 /nfs/dbraw/zinc/88/72/80/1135887280.db2.gz MUYKTPOPFWZEBA-UHFFFAOYSA-N 1 3 348.531 3.981 20 10 EHCDHO CC[N@@H+](CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1)CC(C)C ZINC000809755972 1135887284 /nfs/dbraw/zinc/88/72/84/1135887284.db2.gz MUYKTPOPFWZEBA-UHFFFAOYSA-N 1 3 348.531 3.981 20 10 EHCDHO CC[N@@H+]1CC[C@@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667113 1137108854 /nfs/dbraw/zinc/10/88/54/1137108854.db2.gz ZJQKUKPTACRNRZ-SFHVURJKSA-N 1 3 343.540 3.816 20 10 EHCDHO CC[N@H+]1CC[C@@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667113 1137108855 /nfs/dbraw/zinc/10/88/55/1137108855.db2.gz ZJQKUKPTACRNRZ-SFHVURJKSA-N 1 3 343.540 3.816 20 10 EHCDHO COc1cc(CNC[C@H](C)C[NH+]2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001199583212 1135915080 /nfs/dbraw/zinc/91/50/80/1135915080.db2.gz VWFZDLJGICOXNJ-INIZCTEOSA-N 1 3 348.531 3.910 20 10 EHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817934092 1136847048 /nfs/dbraw/zinc/84/70/48/1136847048.db2.gz BXKNXPDTAQPEGY-HOTGVXAUSA-N 1 3 340.515 3.505 20 10 EHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976968 1136854394 /nfs/dbraw/zinc/85/43/94/1136854394.db2.gz XXYHXLABTIZTHU-FPOVZHCZSA-N 1 3 336.479 3.798 20 10 EHCDHO CC[NH+]1CCC(NCc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823584309 1137104990 /nfs/dbraw/zinc/10/49/90/1137104990.db2.gz GWVWKOAFDHRESI-UHFFFAOYSA-N 1 3 343.540 3.958 20 10 EHCDHO CC[N@@H+]1CC[C@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667112 1137109000 /nfs/dbraw/zinc/10/90/00/1137109000.db2.gz ZJQKUKPTACRNRZ-GOSISDBHSA-N 1 3 343.540 3.816 20 10 EHCDHO CC[N@H+]1CC[C@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823667112 1137109001 /nfs/dbraw/zinc/10/90/01/1137109001.db2.gz ZJQKUKPTACRNRZ-GOSISDBHSA-N 1 3 343.540 3.816 20 10 EHCDHO C[C@H](NCc1ccc(C[NH3+])cc1F)c1cc2c(cc1O)CCCC2 ZINC000844924185 1137263223 /nfs/dbraw/zinc/26/32/23/1137263223.db2.gz NJRYPDCTGQRYFU-ZDUSSCGKSA-N 1 3 328.431 3.720 20 10 EHCDHO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311025312 1033221043 /nfs/dbraw/zinc/22/10/43/1033221043.db2.gz CAEJPLFBBKXWBC-WIYYLYMNSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311025312 1033221058 /nfs/dbraw/zinc/22/10/58/1033221058.db2.gz CAEJPLFBBKXWBC-WIYYLYMNSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025312 1033221071 /nfs/dbraw/zinc/22/10/71/1033221071.db2.gz CAEJPLFBBKXWBC-WIYYLYMNSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764665059 1127520442 /nfs/dbraw/zinc/52/04/42/1127520442.db2.gz ATZSBNKETIBYCL-QGZVFWFLSA-N 1 3 333.495 3.953 20 10 EHCDHO CN(C)c1ccc(/C=C/CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015480 1133221391 /nfs/dbraw/zinc/22/13/91/1133221391.db2.gz BQMCOGBBJVWHRE-ZCBMTBAISA-N 1 3 349.522 3.701 20 10 EHCDHO CN(C)c1ccc(/C=C/CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015480 1133221397 /nfs/dbraw/zinc/22/13/97/1133221397.db2.gz BQMCOGBBJVWHRE-ZCBMTBAISA-N 1 3 349.522 3.701 20 10 EHCDHO CN(C)c1ccc(/C=C\CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015479 1133221584 /nfs/dbraw/zinc/22/15/84/1133221584.db2.gz BQMCOGBBJVWHRE-OENHHBGDSA-N 1 3 349.522 3.701 20 10 EHCDHO CN(C)c1ccc(/C=C\CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001179015479 1133221591 /nfs/dbraw/zinc/22/15/91/1133221591.db2.gz BQMCOGBBJVWHRE-OENHHBGDSA-N 1 3 349.522 3.701 20 10 EHCDHO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767458 1135879683 /nfs/dbraw/zinc/87/96/83/1135879683.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 1 3 336.479 3.975 20 10 EHCDHO C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767458 1135879685 /nfs/dbraw/zinc/87/96/85/1135879685.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767458 1135879688 /nfs/dbraw/zinc/87/96/88/1135879688.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767458 1135879691 /nfs/dbraw/zinc/87/96/91/1135879691.db2.gz LNYZZSDUHYVQHM-CTNGQTDRSA-N 1 3 336.479 3.975 20 10 EHCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817899279 1136844667 /nfs/dbraw/zinc/84/46/67/1136844667.db2.gz NKOWKRIJFGIIEQ-PCCBWWKXSA-N 1 3 327.516 3.687 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)NCCC[NH2+]C(C)C)c1O ZINC000817951888 1136850839 /nfs/dbraw/zinc/85/08/39/1136850839.db2.gz BJVAEPZNBBJZBF-GFCCVEGCSA-N 1 3 329.282 3.502 20 10 EHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976967 1136854111 /nfs/dbraw/zinc/85/41/11/1136854111.db2.gz XXYHXLABTIZTHU-CTNGQTDRSA-N 1 3 336.479 3.798 20 10 EHCDHO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000895391996 1024459733 /nfs/dbraw/zinc/45/97/33/1024459733.db2.gz IXCFXAVYWFIJFB-TYPHKJRUSA-N 1 3 336.479 3.843 20 10 EHCDHO CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646713 1121397053 /nfs/dbraw/zinc/39/70/53/1121397053.db2.gz BHFWFJPHAQUYIR-PBHICJAKSA-N 1 3 340.895 3.587 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000773805841 1133236519 /nfs/dbraw/zinc/23/65/19/1133236519.db2.gz HJLKTLYSAZWTNX-NQIIRXRSSA-N 1 3 327.516 3.591 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000773805841 1133236525 /nfs/dbraw/zinc/23/65/25/1133236525.db2.gz HJLKTLYSAZWTNX-NQIIRXRSSA-N 1 3 327.516 3.591 20 10 EHCDHO CCOc1ccc(O)c(CNC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000775362405 1134667156 /nfs/dbraw/zinc/66/71/56/1134667156.db2.gz GPYIGAPKAYWEEC-UHFFFAOYSA-N 1 3 334.504 3.925 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1[O-] ZINC000817975735 1136854546 /nfs/dbraw/zinc/85/45/46/1136854546.db2.gz AIAYUTPJCNRCGX-NWDGAFQWSA-N 1 3 329.282 3.631 20 10 EHCDHO C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000185337089 1140145620 /nfs/dbraw/zinc/14/56/20/1140145620.db2.gz TWBOGDKVGILEQX-OAHLLOKOSA-N 1 3 346.446 3.713 20 10 EHCDHO CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646723 1121397198 /nfs/dbraw/zinc/39/71/98/1121397198.db2.gz BHFWFJPHAQUYIR-YOEHRIQHSA-N 1 3 340.895 3.587 20 10 EHCDHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)CCO4)C3)cc1 ZINC000774163576 1133626175 /nfs/dbraw/zinc/62/61/75/1133626175.db2.gz RZLHKKJBVPVLOL-KOUNCHBCSA-N 1 3 348.490 3.907 20 10 EHCDHO Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000817957982 1136852195 /nfs/dbraw/zinc/85/21/95/1136852195.db2.gz RTRHUFPJEVXNMH-ACIOBRDBSA-N 1 3 349.522 3.702 20 10 EHCDHO CC1(C)C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001171982677 1137526494 /nfs/dbraw/zinc/52/64/94/1137526494.db2.gz JOVHMRMSPWZVPE-SFHVURJKSA-N 1 3 340.467 3.631 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000773805842 1133236186 /nfs/dbraw/zinc/23/61/86/1133236186.db2.gz HJLKTLYSAZWTNX-RXVVDRJESA-N 1 3 327.516 3.591 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000773805842 1133236192 /nfs/dbraw/zinc/23/61/92/1133236192.db2.gz HJLKTLYSAZWTNX-RXVVDRJESA-N 1 3 327.516 3.591 20 10 EHCDHO CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000817903700 1136844892 /nfs/dbraw/zinc/84/48/92/1136844892.db2.gz SQBHUFXLWQOHLL-AWEZNQCLSA-N 1 3 344.478 3.685 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1C ZINC000823955397 1137119227 /nfs/dbraw/zinc/11/92/27/1137119227.db2.gz KPYBWLVWBULAAF-WMZOPIPTSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955397 1137119228 /nfs/dbraw/zinc/11/92/28/1137119228.db2.gz KPYBWLVWBULAAF-WMZOPIPTSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1C ZINC000823955395 1137119239 /nfs/dbraw/zinc/11/92/39/1137119239.db2.gz KPYBWLVWBULAAF-FUHWJXTLSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@H]1C[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955395 1137119240 /nfs/dbraw/zinc/11/92/40/1137119240.db2.gz KPYBWLVWBULAAF-FUHWJXTLSA-N 1 3 343.540 3.957 20 10 EHCDHO CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646716 1121396896 /nfs/dbraw/zinc/39/68/96/1121396896.db2.gz BHFWFJPHAQUYIR-RHSMWYFYSA-N 1 3 340.895 3.587 20 10 EHCDHO CSC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC[NH+](C)CC1 ZINC000810251972 1132731918 /nfs/dbraw/zinc/73/19/18/1132731918.db2.gz DMBITCXXPZBCEZ-CYBMUJFWSA-N 1 3 342.936 3.832 20 10 EHCDHO CCN(CC)c1ccc(CN2CCCC23CC[NH+](C)CC3)cc1F ZINC000789559400 1134300567 /nfs/dbraw/zinc/30/05/67/1134300567.db2.gz PXWCSBUAWUGNMP-UHFFFAOYSA-N 1 3 333.495 3.732 20 10 EHCDHO CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000775501922 1134965601 /nfs/dbraw/zinc/96/56/01/1134965601.db2.gz MWDNOXPLJIRQDT-HXUWFJFHSA-N 1 3 342.483 3.616 20 10 EHCDHO CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C)cc1[O-] ZINC000850483956 1136267302 /nfs/dbraw/zinc/26/73/02/1136267302.db2.gz ZDWICUXRXIWDCY-HXUWFJFHSA-N 1 3 346.515 3.632 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817946799 1136849953 /nfs/dbraw/zinc/84/99/53/1136849953.db2.gz DYKYQTZJSJOXRN-RWMBFGLXSA-N 1 3 341.293 3.502 20 10 EHCDHO Cc1cc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ccc2c[nH+]1 ZINC001167436824 1020140340 /nfs/dbraw/zinc/14/03/40/1020140340.db2.gz BALSUTARWCLCPB-UHFFFAOYSA-N 1 3 346.478 3.907 20 10 EHCDHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915828 /nfs/dbraw/zinc/91/58/28/1031915828.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 1 3 329.532 3.900 20 10 EHCDHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000827972823 1031915846 /nfs/dbraw/zinc/91/58/46/1031915846.db2.gz COCXHWWVIYZVJF-ICSRJNTNSA-N 1 3 329.532 3.900 20 10 EHCDHO C[C@H](CC[NH+](C)C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC001648986296 1120324037 /nfs/dbraw/zinc/32/40/37/1120324037.db2.gz RDJMJOSWQRBZJA-MRXNPFEDSA-N 1 3 331.529 3.814 20 10 EHCDHO COc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097257 1136210382 /nfs/dbraw/zinc/21/03/82/1136210382.db2.gz VXQMDBZZSOHZPG-HNNXBMFYSA-N 1 3 334.504 3.518 20 10 EHCDHO COc1cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097257 1136210386 /nfs/dbraw/zinc/21/03/86/1136210386.db2.gz VXQMDBZZSOHZPG-HNNXBMFYSA-N 1 3 334.504 3.518 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1[O-] ZINC000817964866 1136851970 /nfs/dbraw/zinc/85/19/70/1136851970.db2.gz LQUPXHDXRNAAES-LBPRGKRZSA-N 1 3 341.293 3.503 20 10 EHCDHO CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccc1[O-] ZINC000155201548 1016293829 /nfs/dbraw/zinc/29/38/29/1016293829.db2.gz ZKKCXFTUPBJHLF-LJQANCHMSA-N 1 3 328.456 3.574 20 10 EHCDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183254 1040715971 /nfs/dbraw/zinc/71/59/71/1040715971.db2.gz WWJSXRCRFGDMCE-WFXMLNOXSA-N 1 3 347.547 3.540 20 10 EHCDHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183254 1040715982 /nfs/dbraw/zinc/71/59/82/1040715982.db2.gz WWJSXRCRFGDMCE-WFXMLNOXSA-N 1 3 347.547 3.540 20 10 EHCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000765406057 1127608230 /nfs/dbraw/zinc/60/82/30/1127608230.db2.gz LZIOFXFGGUXCDC-QRVBRYPASA-N 1 3 347.547 3.683 20 10 EHCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817899284 1136844738 /nfs/dbraw/zinc/84/47/38/1136844738.db2.gz NKOWKRIJFGIIEQ-QHAWAJNXSA-N 1 3 327.516 3.687 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873272188 1137596050 /nfs/dbraw/zinc/59/60/50/1137596050.db2.gz QGWLLLFLDYFCQY-NWDGAFQWSA-N 1 3 341.293 3.502 20 10 EHCDHO CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000155201227 1016294350 /nfs/dbraw/zinc/29/43/50/1016294350.db2.gz BJAFMMCNUUCIOV-IBGZPJMESA-N 1 3 328.456 3.574 20 10 EHCDHO COc1cc(C)cc(CNCc2cccc(C[NH+]3CCCC3)c2)c1O ZINC000894383199 1021496923 /nfs/dbraw/zinc/49/69/23/1021496923.db2.gz CFQLISKLLXTINE-UHFFFAOYSA-N 1 3 340.467 3.595 20 10 EHCDHO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311025305 1033216339 /nfs/dbraw/zinc/21/63/39/1033216339.db2.gz CAEJPLFBBKXWBC-RXVVDRJESA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311025305 1033216346 /nfs/dbraw/zinc/21/63/46/1033216346.db2.gz CAEJPLFBBKXWBC-RXVVDRJESA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025305 1033216358 /nfs/dbraw/zinc/21/63/58/1033216358.db2.gz CAEJPLFBBKXWBC-RXVVDRJESA-N 1 3 337.511 3.753 20 10 EHCDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000163224425 1026912029 /nfs/dbraw/zinc/91/20/29/1026912029.db2.gz JKHZSAPHTQALSN-IRXDYDNUSA-N 1 3 333.495 3.808 20 10 EHCDHO CC[N@H+](CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1)CC1CC1 ZINC000770591540 1133448798 /nfs/dbraw/zinc/44/87/98/1133448798.db2.gz LKKQFTLWWXIANW-UHFFFAOYSA-N 1 3 346.515 3.735 20 10 EHCDHO CC[N@@H+](CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1)CC1CC1 ZINC000770591540 1133448800 /nfs/dbraw/zinc/44/88/00/1133448800.db2.gz LKKQFTLWWXIANW-UHFFFAOYSA-N 1 3 346.515 3.735 20 10 EHCDHO CSC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC[NH+](C)CC1 ZINC000810251973 1135948896 /nfs/dbraw/zinc/94/88/96/1135948896.db2.gz DMBITCXXPZBCEZ-ZDUSSCGKSA-N 1 3 342.936 3.832 20 10 EHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000817986840 1136855609 /nfs/dbraw/zinc/85/56/09/1136855609.db2.gz UOMHTFDQNWPBMC-NRFANRHFSA-N 1 3 336.479 3.966 20 10 EHCDHO COc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245468 1136951890 /nfs/dbraw/zinc/95/18/90/1136951890.db2.gz JGIHNRUDMVHJDA-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO COc1cc(CNC[C@H]2CCCC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245468 1136951893 /nfs/dbraw/zinc/95/18/93/1136951893.db2.gz JGIHNRUDMVHJDA-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO COc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000858245468 1136951896 /nfs/dbraw/zinc/95/18/96/1136951896.db2.gz JGIHNRUDMVHJDA-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000873235317 1137594727 /nfs/dbraw/zinc/59/47/27/1137594727.db2.gz KXENSIFTTLEGRD-PXAZEXFGSA-N 1 3 326.415 3.515 20 10 EHCDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000247301992 1020019091 /nfs/dbraw/zinc/01/90/91/1020019091.db2.gz ZSTLXXFMJRWWMP-TZIWHRDSSA-N 1 3 327.516 3.593 20 10 EHCDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000247301992 1020019104 /nfs/dbraw/zinc/01/91/04/1020019104.db2.gz ZSTLXXFMJRWWMP-TZIWHRDSSA-N 1 3 327.516 3.593 20 10 EHCDHO CCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793043981 1134841744 /nfs/dbraw/zinc/84/17/44/1134841744.db2.gz RBPLWTMZYWPBKE-UHFFFAOYSA-N 1 3 343.437 3.735 20 10 EHCDHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155008 /nfs/dbraw/zinc/15/50/08/1137155008.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 1 3 334.504 3.613 20 10 EHCDHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863439 1137155009 /nfs/dbraw/zinc/15/50/09/1137155009.db2.gz QPVKFEQHFZSSOC-GDBMZVCRSA-N 1 3 334.504 3.613 20 10 EHCDHO C[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776265981 1136124869 /nfs/dbraw/zinc/12/48/69/1136124869.db2.gz SITWVWZHQROHOH-OAQYLSRUSA-N 1 3 338.495 3.998 20 10 EHCDHO CC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241077 1136521529 /nfs/dbraw/zinc/52/15/29/1136521529.db2.gz UGJWCAGMNXFNAI-RXVVDRJESA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241077 1136521530 /nfs/dbraw/zinc/52/15/30/1136521530.db2.gz UGJWCAGMNXFNAI-RXVVDRJESA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241077 1136521531 /nfs/dbraw/zinc/52/15/31/1136521531.db2.gz UGJWCAGMNXFNAI-RXVVDRJESA-N 1 3 329.532 3.915 20 10 EHCDHO COc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232250 1137594576 /nfs/dbraw/zinc/59/45/76/1137594576.db2.gz NSYOMCCGLUCDRL-MAUKXSAKSA-N 1 3 332.488 3.520 20 10 EHCDHO COc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232250 1137594577 /nfs/dbraw/zinc/59/45/77/1137594577.db2.gz NSYOMCCGLUCDRL-MAUKXSAKSA-N 1 3 332.488 3.520 20 10 EHCDHO C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000183489317 1140042712 /nfs/dbraw/zinc/04/27/12/1140042712.db2.gz WXHUGOQTGUYKEL-INIZCTEOSA-N 1 3 328.456 3.574 20 10 EHCDHO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000895391995 1024459573 /nfs/dbraw/zinc/45/95/73/1024459573.db2.gz IXCFXAVYWFIJFB-JBACZVJFSA-N 1 3 336.479 3.843 20 10 EHCDHO CC[NH+](CC)CCCC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000783594608 1027564284 /nfs/dbraw/zinc/56/42/84/1027564284.db2.gz GVSLWLQSJUGGOC-UHFFFAOYSA-N 1 3 334.504 3.735 20 10 EHCDHO CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([O-])c1 ZINC000769514306 1133306177 /nfs/dbraw/zinc/30/61/77/1133306177.db2.gz JXEPJANOCUJUCS-UHFFFAOYSA-N 1 3 346.515 3.879 20 10 EHCDHO C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767461 1135879563 /nfs/dbraw/zinc/87/95/63/1135879563.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 1 3 336.479 3.975 20 10 EHCDHO C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767461 1135879565 /nfs/dbraw/zinc/87/95/65/1135879565.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767461 1135879568 /nfs/dbraw/zinc/87/95/68/1135879568.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767461 1135879569 /nfs/dbraw/zinc/87/95/69/1135879569.db2.gz LNYZZSDUHYVQHM-TZIWHRDSSA-N 1 3 336.479 3.975 20 10 EHCDHO COc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097258 1136210537 /nfs/dbraw/zinc/21/05/37/1136210537.db2.gz VXQMDBZZSOHZPG-OAHLLOKOSA-N 1 3 334.504 3.518 20 10 EHCDHO COc1cc(CNC[C@H]2CC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850097258 1136210538 /nfs/dbraw/zinc/21/05/38/1136210538.db2.gz VXQMDBZZSOHZPG-OAHLLOKOSA-N 1 3 334.504 3.518 20 10 EHCDHO CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[O-] ZINC000850516711 1136275835 /nfs/dbraw/zinc/27/58/35/1136275835.db2.gz LKPHCCORBVDWHJ-HXUWFJFHSA-N 1 3 339.483 3.740 20 10 EHCDHO CN(Cc1cccs1)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000823840916 1137115759 /nfs/dbraw/zinc/11/57/59/1137115759.db2.gz DEZVGBVCXTVUGA-SFHVURJKSA-N 1 3 343.540 3.816 20 10 EHCDHO CN(Cc1cccs1)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000823840916 1137115761 /nfs/dbraw/zinc/11/57/61/1137115761.db2.gz DEZVGBVCXTVUGA-SFHVURJKSA-N 1 3 343.540 3.816 20 10 EHCDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447042 1137099845 /nfs/dbraw/zinc/09/98/45/1137099845.db2.gz BRDIHJJRQLMOJZ-GOSISDBHSA-N 1 3 343.540 3.768 20 10 EHCDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447042 1137099846 /nfs/dbraw/zinc/09/98/46/1137099846.db2.gz BRDIHJJRQLMOJZ-GOSISDBHSA-N 1 3 343.540 3.768 20 10 EHCDHO COc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232248 1137594596 /nfs/dbraw/zinc/59/45/96/1137594596.db2.gz NSYOMCCGLUCDRL-CRAIPNDOSA-N 1 3 332.488 3.520 20 10 EHCDHO COc1cccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1[O-] ZINC000873232248 1137594597 /nfs/dbraw/zinc/59/45/97/1137594597.db2.gz NSYOMCCGLUCDRL-CRAIPNDOSA-N 1 3 332.488 3.520 20 10 EHCDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000157499277 1037626004 /nfs/dbraw/zinc/62/60/04/1037626004.db2.gz MLWNWWSFNMOLCF-WIYYLYMNSA-N 1 3 329.532 3.743 20 10 EHCDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000157499277 1037626015 /nfs/dbraw/zinc/62/60/15/1037626015.db2.gz MLWNWWSFNMOLCF-WIYYLYMNSA-N 1 3 329.532 3.743 20 10 EHCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000817901608 1136844400 /nfs/dbraw/zinc/84/44/00/1136844400.db2.gz CRHXHHCRTCJDET-FDFHNCONSA-N 1 3 341.543 3.933 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1C ZINC000823955396 1137119152 /nfs/dbraw/zinc/11/91/52/1137119152.db2.gz KPYBWLVWBULAAF-SJLPKXTDSA-N 1 3 343.540 3.957 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CC[N@H+]1C ZINC000823955396 1137119154 /nfs/dbraw/zinc/11/91/54/1137119154.db2.gz KPYBWLVWBULAAF-SJLPKXTDSA-N 1 3 343.540 3.957 20 10 EHCDHO CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183425508 1140037498 /nfs/dbraw/zinc/03/74/98/1140037498.db2.gz XKKUMGWMBZDRHY-QGZVFWFLSA-N 1 3 342.483 3.964 20 10 EHCDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907465 1127548538 /nfs/dbraw/zinc/54/85/38/1127548538.db2.gz HGUYFFZUZODMNO-IBGZPJMESA-N 1 3 347.547 3.686 20 10 EHCDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000764907465 1127548540 /nfs/dbraw/zinc/54/85/40/1127548540.db2.gz HGUYFFZUZODMNO-IBGZPJMESA-N 1 3 347.547 3.686 20 10 EHCDHO CCCOc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000873050640 1137588837 /nfs/dbraw/zinc/58/88/37/1137588837.db2.gz ZAKUBQGEPSHPAO-FQEVSTJZSA-N 1 3 346.515 3.517 20 10 EHCDHO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184901477 1140125087 /nfs/dbraw/zinc/12/50/87/1140125087.db2.gz UGWAHLHKDKSVMT-HNNXBMFYSA-N 1 3 328.431 3.978 20 10 EHCDHO COc1ccc(O)c([C@H](C)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000379636046 1132177795 /nfs/dbraw/zinc/17/77/95/1132177795.db2.gz WXMJZNCBOXBMBP-SJORKVTESA-N 1 3 342.483 3.962 20 10 EHCDHO COc1ccc(O)c([C@H](C)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636046 1132177799 /nfs/dbraw/zinc/17/77/99/1132177799.db2.gz WXMJZNCBOXBMBP-SJORKVTESA-N 1 3 342.483 3.962 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657802 1132241860 /nfs/dbraw/zinc/24/18/60/1132241860.db2.gz UMRBKAGKMSZGNO-RXVVDRJESA-N 1 3 337.511 3.895 20 10 EHCDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657802 1132241863 /nfs/dbraw/zinc/24/18/63/1132241863.db2.gz UMRBKAGKMSZGNO-RXVVDRJESA-N 1 3 337.511 3.895 20 10 EHCDHO CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC000769201403 1133243911 /nfs/dbraw/zinc/24/39/11/1133243911.db2.gz TUWVLWMPHDSVDZ-UHFFFAOYSA-N 1 3 342.483 3.745 20 10 EHCDHO CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC000769201403 1133243918 /nfs/dbraw/zinc/24/39/18/1133243918.db2.gz TUWVLWMPHDSVDZ-UHFFFAOYSA-N 1 3 342.483 3.745 20 10 EHCDHO Cc1cc(C[NH+]2CCC(NCc3ccccc3)CC2)ccc1N(C)C ZINC001194524742 1135281079 /nfs/dbraw/zinc/28/10/79/1135281079.db2.gz DFNFNKAZERUMHH-UHFFFAOYSA-N 1 3 337.511 3.815 20 10 EHCDHO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767459 1135879983 /nfs/dbraw/zinc/87/99/83/1135879983.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 1 3 336.479 3.975 20 10 EHCDHO C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767459 1135879985 /nfs/dbraw/zinc/87/99/85/1135879985.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767459 1135879988 /nfs/dbraw/zinc/87/99/88/1135879988.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 1 3 336.479 3.975 20 10 EHCDHO C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809767459 1135879991 /nfs/dbraw/zinc/87/99/91/1135879991.db2.gz LNYZZSDUHYVQHM-FPOVZHCZSA-N 1 3 336.479 3.975 20 10 EHCDHO CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000817901607 1136844805 /nfs/dbraw/zinc/84/48/05/1136844805.db2.gz CRHXHHCRTCJDET-BHIFYINESA-N 1 3 341.543 3.933 20 10 EHCDHO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817934091 1136846709 /nfs/dbraw/zinc/84/67/09/1136846709.db2.gz BXKNXPDTAQPEGY-CVEARBPZSA-N 1 3 340.515 3.505 20 10 EHCDHO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000186518376 1140207710 /nfs/dbraw/zinc/20/77/10/1140207710.db2.gz ZUJMGBVSBUKLKF-BZUAXINKSA-N 1 3 332.488 3.704 20 10 EHCDHO CCN(CC)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000236916674 1040187030 /nfs/dbraw/zinc/18/70/30/1040187030.db2.gz UZJWGKAZPDUYFD-RTBURBONSA-N 1 3 347.547 3.512 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000080338639 1041159801 /nfs/dbraw/zinc/15/98/01/1041159801.db2.gz YHSDSXOQNBFBAS-DYESRHJHSA-N 1 3 336.479 3.764 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000080338639 1041159811 /nfs/dbraw/zinc/15/98/11/1041159811.db2.gz YHSDSXOQNBFBAS-DYESRHJHSA-N 1 3 336.479 3.764 20 10 EHCDHO CCC[N@@H+]1CC[C@@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070012 1136206108 /nfs/dbraw/zinc/20/61/08/1136206108.db2.gz QZIHNQBCDUNGIQ-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO CCC[N@H+]1CC[C@@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070012 1136206110 /nfs/dbraw/zinc/20/61/10/1136206110.db2.gz QZIHNQBCDUNGIQ-HNNXBMFYSA-N 1 3 334.504 3.520 20 10 EHCDHO CCC[N@@H+]1CC[C@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070013 1136206147 /nfs/dbraw/zinc/20/61/47/1136206147.db2.gz QZIHNQBCDUNGIQ-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO CCC[N@H+]1CC[C@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850070013 1136206148 /nfs/dbraw/zinc/20/61/48/1136206148.db2.gz QZIHNQBCDUNGIQ-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1[O-] ZINC000873269492 1137595738 /nfs/dbraw/zinc/59/57/38/1137595738.db2.gz QGWLLLFLDYFCQY-NEPJUHHUSA-N 1 3 341.293 3.502 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c([O-])c1 ZINC000185337049 1140145644 /nfs/dbraw/zinc/14/56/44/1140145644.db2.gz HESLUNGWYFRDTI-KRWDZBQOSA-N 1 3 342.483 3.882 20 10 EHCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C(C)C ZINC000746644661 1133960697 /nfs/dbraw/zinc/96/06/97/1133960697.db2.gz BPFMFEYGMXKPMJ-HFSMHLIXSA-N 1 3 346.515 3.508 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1[O-] ZINC000817981518 1136854921 /nfs/dbraw/zinc/85/49/21/1136854921.db2.gz SPGWFOJSHPZTJE-JSGCOSHPSA-N 1 3 341.293 3.646 20 10 EHCDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447050 1137099926 /nfs/dbraw/zinc/09/99/26/1137099926.db2.gz BRDIHJJRQLMOJZ-SFHVURJKSA-N 1 3 343.540 3.768 20 10 EHCDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823447050 1137099928 /nfs/dbraw/zinc/09/99/28/1137099928.db2.gz BRDIHJJRQLMOJZ-SFHVURJKSA-N 1 3 343.540 3.768 20 10 EHCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(N3CCCCC3)cc1)C2 ZINC001172101678 1137532422 /nfs/dbraw/zinc/53/24/22/1137532422.db2.gz HPIREXKGGDLEAO-ZKTXZKFHSA-N 1 3 327.516 3.782 20 10 EHCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(N3CCCCC3)cc1)C2 ZINC001172101678 1137532424 /nfs/dbraw/zinc/53/24/24/1137532424.db2.gz HPIREXKGGDLEAO-ZKTXZKFHSA-N 1 3 327.516 3.782 20 10 EHCDHO CCCN(c1ccc(C[NH3+])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000194978850 1140627035 /nfs/dbraw/zinc/62/70/35/1140627035.db2.gz JMJWHVXWHMWANN-UHFFFAOYSA-N 1 3 343.437 3.779 20 10 EHCDHO COc1ccc(N2CCC([NH2+]CC[C@@H](C)N3CCCCC3)CC2)cc1 ZINC000376798855 1017126180 /nfs/dbraw/zinc/12/61/80/1017126180.db2.gz KUNDPPIMIWSMIF-GOSISDBHSA-N 1 3 345.531 3.518 20 10 EHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976970 1136854434 /nfs/dbraw/zinc/85/44/34/1136854434.db2.gz XXYHXLABTIZTHU-TZIWHRDSSA-N 1 3 336.479 3.798 20 10 EHCDHO CC1CCN(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000215869018 1137964325 /nfs/dbraw/zinc/96/43/25/1137964325.db2.gz XBUDNCNQNNRDPO-UHFFFAOYSA-N 1 3 329.532 3.889 20 10 EHCDHO CC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC000192846877 1036557332 /nfs/dbraw/zinc/55/73/32/1036557332.db2.gz PEWPBFGLNNNVOD-VCSGRIEYSA-N 1 3 327.516 3.638 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)NCCC[NH2+]C(C)C)c1O ZINC000817951894 1127617745 /nfs/dbraw/zinc/61/77/45/1127617745.db2.gz BJVAEPZNBBJZBF-LBPRGKRZSA-N 1 3 329.282 3.502 20 10 EHCDHO COc1ccc(O)c([C@@H](C)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000379636041 1132177995 /nfs/dbraw/zinc/17/79/95/1132177995.db2.gz WXMJZNCBOXBMBP-DLBZAZTESA-N 1 3 342.483 3.962 20 10 EHCDHO COc1ccc(O)c([C@@H](C)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636041 1132178000 /nfs/dbraw/zinc/17/80/00/1132178000.db2.gz WXMJZNCBOXBMBP-DLBZAZTESA-N 1 3 342.483 3.962 20 10 EHCDHO CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000775501919 1134965507 /nfs/dbraw/zinc/96/55/07/1134965507.db2.gz MWDNOXPLJIRQDT-FQEVSTJZSA-N 1 3 342.483 3.616 20 10 EHCDHO CC[N@@H+]1CCC[C@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098983 1136211026 /nfs/dbraw/zinc/21/10/26/1136211026.db2.gz PXEPIULDIYGVIT-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO CC[N@H+]1CCC[C@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850098983 1136211029 /nfs/dbraw/zinc/21/10/29/1136211029.db2.gz PXEPIULDIYGVIT-OAHLLOKOSA-N 1 3 334.504 3.520 20 10 EHCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942306 1136849510 /nfs/dbraw/zinc/84/95/10/1136849510.db2.gz OCALGYBEDCNJAV-CTNGQTDRSA-N 1 3 348.494 3.901 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1[O-] ZINC000873239141 1137594904 /nfs/dbraw/zinc/59/49/04/1137594904.db2.gz OPRDXWNOTZVTLN-YRGRVCCFSA-N 1 3 341.293 3.631 20 10 EHCDHO C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000183489333 1140042392 /nfs/dbraw/zinc/04/23/92/1140042392.db2.gz WXHUGOQTGUYKEL-MRXNPFEDSA-N 1 3 328.456 3.574 20 10 EHCDHO CN(C)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(Cl)c1 ZINC001140926878 1016909824 /nfs/dbraw/zinc/90/98/24/1016909824.db2.gz YXCVZLJORUACLV-UHFFFAOYSA-N 1 3 335.923 3.714 20 10 EHCDHO Cc1cc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000052569789 1030717432 /nfs/dbraw/zinc/71/74/32/1030717432.db2.gz NOLJZMSFWGHMFN-UHFFFAOYSA-N 1 3 339.483 3.715 20 10 EHCDHO CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([O-])c1 ZINC000768301838 1133122399 /nfs/dbraw/zinc/12/23/99/1133122399.db2.gz COHUSWKJAYGECJ-UHFFFAOYSA-N 1 3 346.515 3.879 20 10 EHCDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767516 1135879413 /nfs/dbraw/zinc/87/94/13/1135879413.db2.gz NFYCSGRPFUIVSG-CTNGQTDRSA-N 1 3 327.516 3.593 20 10 EHCDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767516 1135879415 /nfs/dbraw/zinc/87/94/15/1135879415.db2.gz NFYCSGRPFUIVSG-CTNGQTDRSA-N 1 3 327.516 3.593 20 10 EHCDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767518 1135880078 /nfs/dbraw/zinc/88/00/78/1135880078.db2.gz NFYCSGRPFUIVSG-PZJWPPBQSA-N 1 3 327.516 3.593 20 10 EHCDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809767518 1135880079 /nfs/dbraw/zinc/88/00/79/1135880079.db2.gz NFYCSGRPFUIVSG-PZJWPPBQSA-N 1 3 327.516 3.593 20 10 EHCDHO CN(C)c1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000809738818 1135883341 /nfs/dbraw/zinc/88/33/41/1135883341.db2.gz LHQXTVVFXLSWLU-UHFFFAOYSA-N 1 3 329.463 3.585 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1[O-] ZINC000817975734 1136854458 /nfs/dbraw/zinc/85/44/58/1136854458.db2.gz AIAYUTPJCNRCGX-NEPJUHHUSA-N 1 3 329.282 3.631 20 10 EHCDHO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155162 /nfs/dbraw/zinc/15/51/62/1137155162.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 1 3 334.504 3.613 20 10 EHCDHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863443 1137155163 /nfs/dbraw/zinc/15/51/63/1137155163.db2.gz QPVKFEQHFZSSOC-HOCLYGCPSA-N 1 3 334.504 3.613 20 10 EHCDHO CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000155626638 1018716737 /nfs/dbraw/zinc/71/67/37/1018716737.db2.gz PLKPBGHURRCGMT-HXUWFJFHSA-N 1 3 342.483 3.964 20 10 EHCDHO COc1cc(Cl)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1[O-] ZINC000761192380 1034379122 /nfs/dbraw/zinc/37/91/22/1034379122.db2.gz MMBNMQQXRTZBAH-UHFFFAOYSA-N 1 3 340.895 3.606 20 10 EHCDHO COc1cc(Cl)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1[O-] ZINC000761192380 1034379135 /nfs/dbraw/zinc/37/91/35/1034379135.db2.gz MMBNMQQXRTZBAH-UHFFFAOYSA-N 1 3 340.895 3.606 20 10 EHCDHO C[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)Cc1ccccc1 ZINC001200940985 1135971303 /nfs/dbraw/zinc/97/13/03/1135971303.db2.gz BQTYIMONFOKYJP-QGZVFWFLSA-N 1 3 343.490 3.892 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1[O-] ZINC000844924577 1137263140 /nfs/dbraw/zinc/26/31/40/1137263140.db2.gz MERWRBHLGGOFHI-GFCCVEGCSA-N 1 3 341.293 3.503 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1C ZINC000273599587 1027513137 /nfs/dbraw/zinc/51/31/37/1027513137.db2.gz RPPSZXYJSMJAHX-BQFCYCMXSA-N 1 3 334.504 3.549 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000773805843 1133236628 /nfs/dbraw/zinc/23/66/28/1133236628.db2.gz HJLKTLYSAZWTNX-WIYYLYMNSA-N 1 3 327.516 3.591 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000773805843 1133236633 /nfs/dbraw/zinc/23/66/33/1133236633.db2.gz HJLKTLYSAZWTNX-WIYYLYMNSA-N 1 3 327.516 3.591 20 10 EHCDHO COc1cc(CNC[C@@H](C)C[NH+]2CCCCC2)c(O)c(C(C)(C)C)c1 ZINC001199583214 1135915104 /nfs/dbraw/zinc/91/51/04/1135915104.db2.gz VWFZDLJGICOXNJ-MRXNPFEDSA-N 1 3 348.531 3.910 20 10 EHCDHO [O-]c1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000816619369 1136742577 /nfs/dbraw/zinc/74/25/77/1136742577.db2.gz CUYBCKGGPZALRV-UHFFFAOYSA-N 1 3 336.479 3.880 20 10 EHCDHO [O-]c1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000816619369 1136742579 /nfs/dbraw/zinc/74/25/79/1136742579.db2.gz CUYBCKGGPZALRV-UHFFFAOYSA-N 1 3 336.479 3.880 20 10 EHCDHO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155178 /nfs/dbraw/zinc/15/51/78/1137155178.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 1 3 334.504 3.613 20 10 EHCDHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824863444 1137155179 /nfs/dbraw/zinc/15/51/79/1137155179.db2.gz QPVKFEQHFZSSOC-ZBFHGGJFSA-N 1 3 334.504 3.613 20 10 EHCDHO C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc(F)ccc1[O-] ZINC000185337073 1140145873 /nfs/dbraw/zinc/14/58/73/1140145873.db2.gz TWBOGDKVGILEQX-HNNXBMFYSA-N 1 3 346.446 3.713 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000773805840 1133235967 /nfs/dbraw/zinc/23/59/67/1133235967.db2.gz HJLKTLYSAZWTNX-GHTZIAJQSA-N 1 3 327.516 3.591 20 10 EHCDHO CCN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000773805840 1133235975 /nfs/dbraw/zinc/23/59/75/1133235975.db2.gz HJLKTLYSAZWTNX-GHTZIAJQSA-N 1 3 327.516 3.591 20 10 EHCDHO CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C)cc1[O-] ZINC000850483955 1136267536 /nfs/dbraw/zinc/26/75/36/1136267536.db2.gz ZDWICUXRXIWDCY-FQEVSTJZSA-N 1 3 346.515 3.632 20 10 EHCDHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2c1c(F)ccc2[O-] ZINC000873235319 1137594771 /nfs/dbraw/zinc/59/47/71/1137594771.db2.gz KXENSIFTTLEGRD-SJKOYZFVSA-N 1 3 326.415 3.515 20 10 EHCDHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515936 /nfs/dbraw/zinc/51/59/36/1028515936.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515951 /nfs/dbraw/zinc/51/59/51/1028515951.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515964 /nfs/dbraw/zinc/51/59/64/1028515964.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646860 1028515974 /nfs/dbraw/zinc/51/59/74/1028515974.db2.gz IDOWLWHHRUXSPQ-RBBKRZOGSA-N 1 3 341.543 3.901 20 10 EHCDHO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311025299 1037172059 /nfs/dbraw/zinc/17/20/59/1037172059.db2.gz CAEJPLFBBKXWBC-NQIIRXRSSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311025299 1037172065 /nfs/dbraw/zinc/17/20/65/1037172065.db2.gz CAEJPLFBBKXWBC-NQIIRXRSSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311025299 1037172074 /nfs/dbraw/zinc/17/20/74/1037172074.db2.gz CAEJPLFBBKXWBC-NQIIRXRSSA-N 1 3 337.511 3.753 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657800 1132241410 /nfs/dbraw/zinc/24/14/10/1132241410.db2.gz UMRBKAGKMSZGNO-NQIIRXRSSA-N 1 3 337.511 3.895 20 10 EHCDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657800 1132241415 /nfs/dbraw/zinc/24/14/15/1132241415.db2.gz UMRBKAGKMSZGNO-NQIIRXRSSA-N 1 3 337.511 3.895 20 10 EHCDHO Cc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C(C)C ZINC000746644662 1133960427 /nfs/dbraw/zinc/96/04/27/1133960427.db2.gz BPFMFEYGMXKPMJ-SLYNCCJLSA-N 1 3 346.515 3.508 20 10 EHCDHO COc1ccc(N2CCC([NH2+]CCCN3CCCC[C@@H]3C)CC2)cc1 ZINC000160267275 1015568498 /nfs/dbraw/zinc/56/84/98/1015568498.db2.gz UJNDNMYLBNVRMR-SFHVURJKSA-N 1 3 345.531 3.518 20 10 EHCDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1C ZINC000273599589 1027512823 /nfs/dbraw/zinc/51/28/23/1027512823.db2.gz RPPSZXYJSMJAHX-JZXOWHBKSA-N 1 3 334.504 3.549 20 10 EHCDHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512612 /nfs/dbraw/zinc/51/26/12/1028512612.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512615 /nfs/dbraw/zinc/51/26/15/1028512615.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512618 /nfs/dbraw/zinc/51/26/18/1028512618.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646858 1028512622 /nfs/dbraw/zinc/51/26/22/1028512622.db2.gz IDOWLWHHRUXSPQ-IRLDBZIGSA-N 1 3 341.543 3.901 20 10 EHCDHO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518817 1035652717 /nfs/dbraw/zinc/65/27/17/1035652717.db2.gz LXOYKAVWRAXHEL-DNVCBOLYSA-N 1 3 346.515 3.614 20 10 EHCDHO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518817 1035652721 /nfs/dbraw/zinc/65/27/21/1035652721.db2.gz LXOYKAVWRAXHEL-DNVCBOLYSA-N 1 3 346.515 3.614 20 10 EHCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000765406056 1127608169 /nfs/dbraw/zinc/60/81/69/1127608169.db2.gz LZIOFXFGGUXCDC-OTWHNJEPSA-N 1 3 347.547 3.683 20 10 EHCDHO COc1ccc(O)c([C@H](C)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000379636045 1132178080 /nfs/dbraw/zinc/17/80/80/1132178080.db2.gz WXMJZNCBOXBMBP-IRXDYDNUSA-N 1 3 342.483 3.962 20 10 EHCDHO COc1ccc(O)c([C@H](C)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000379636045 1132178084 /nfs/dbraw/zinc/17/80/84/1132178084.db2.gz WXMJZNCBOXBMBP-IRXDYDNUSA-N 1 3 342.483 3.962 20 10 EHCDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576511 1135852763 /nfs/dbraw/zinc/85/27/63/1135852763.db2.gz BPBFYSJLDRWDGS-OAQYLSRUSA-N 1 3 349.522 3.633 20 10 EHCDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809576511 1135852766 /nfs/dbraw/zinc/85/27/66/1135852766.db2.gz BPBFYSJLDRWDGS-OAQYLSRUSA-N 1 3 349.522 3.633 20 10 EHCDHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888335 /nfs/dbraw/zinc/88/83/35/1135888335.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 1 3 343.437 3.543 20 10 EHCDHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809765399 1135888339 /nfs/dbraw/zinc/88/83/39/1135888339.db2.gz NHERAFWQBXMSTO-GUYCJALGSA-N 1 3 343.437 3.543 20 10 EHCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1[O-] ZINC000817981519 1136854881 /nfs/dbraw/zinc/85/48/81/1136854881.db2.gz SPGWFOJSHPZTJE-OCCSQVGLSA-N 1 3 341.293 3.646 20 10 EHCDHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513482 /nfs/dbraw/zinc/51/34/82/1028513482.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513492 /nfs/dbraw/zinc/51/34/92/1028513492.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513500 /nfs/dbraw/zinc/51/35/00/1028513500.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646850 1028513509 /nfs/dbraw/zinc/51/35/09/1028513509.db2.gz IDOWLWHHRUXSPQ-IFMALSPDSA-N 1 3 341.543 3.901 20 10 EHCDHO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518948 1035651534 /nfs/dbraw/zinc/65/15/34/1035651534.db2.gz LXOYKAVWRAXHEL-BEFAXECRSA-N 1 3 346.515 3.614 20 10 EHCDHO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000164518948 1035651546 /nfs/dbraw/zinc/65/15/46/1035651546.db2.gz LXOYKAVWRAXHEL-BEFAXECRSA-N 1 3 346.515 3.614 20 10 EHCDHO CCN(Cc1ccccc1)c1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000072726254 1126868051 /nfs/dbraw/zinc/86/80/51/1126868051.db2.gz XPMXYQYPYPOACY-UHFFFAOYSA-N 1 3 337.511 3.897 20 10 EHCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000765406055 1127608449 /nfs/dbraw/zinc/60/84/49/1127608449.db2.gz LZIOFXFGGUXCDC-FHWLQOOXSA-N 1 3 347.547 3.683 20 10 EHCDHO CCC[NH+](C)Cc1c([O-])ccc2ccc(O)c(C[N@@H+](C)CCC)c21 ZINC000069062144 1124102834 /nfs/dbraw/zinc/10/28/34/1124102834.db2.gz MKBQPPAHUOCUKJ-UHFFFAOYSA-N 1 3 330.472 3.935 20 10 EHCDHO CCC[NH+](C)Cc1c([O-])ccc2ccc(O)c(C[N@H+](C)CCC)c21 ZINC000069062144 1124102837 /nfs/dbraw/zinc/10/28/37/1124102837.db2.gz MKBQPPAHUOCUKJ-UHFFFAOYSA-N 1 3 330.472 3.935 20 10 EHCDHO CCC[NH+](C)Cc1c(O)ccc2ccc([O-])c(C[N@H+](C)CCC)c21 ZINC000069062144 1124102838 /nfs/dbraw/zinc/10/28/38/1124102838.db2.gz MKBQPPAHUOCUKJ-UHFFFAOYSA-N 1 3 330.472 3.935 20 10 EHCDHO CCC[NH+](C)Cc1c(O)ccc2ccc([O-])c(C[N@@H+](C)CCC)c21 ZINC000069062144 1124102840 /nfs/dbraw/zinc/10/28/40/1124102840.db2.gz MKBQPPAHUOCUKJ-UHFFFAOYSA-N 1 3 330.472 3.935 20 10 EHCDHO COc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533288 1035656520 /nfs/dbraw/zinc/65/65/20/1035656520.db2.gz PBZAUHYMVKAOEP-BEFAXECRSA-N 1 3 346.515 3.614 20 10 EHCDHO COc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533288 1035656531 /nfs/dbraw/zinc/65/65/31/1035656531.db2.gz PBZAUHYMVKAOEP-BEFAXECRSA-N 1 3 346.515 3.614 20 10 EHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000817986841 1136855451 /nfs/dbraw/zinc/85/54/51/1136855451.db2.gz UOMHTFDQNWPBMC-OAQYLSRUSA-N 1 3 336.479 3.966 20 10 EHCDHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517217 /nfs/dbraw/zinc/51/72/17/1028517217.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517227 /nfs/dbraw/zinc/51/72/27/1028517227.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517234 /nfs/dbraw/zinc/51/72/34/1028517234.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 1 3 341.543 3.901 20 10 EHCDHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1N1CCCCC1 ZINC001167646862 1028517240 /nfs/dbraw/zinc/51/72/40/1028517240.db2.gz IDOWLWHHRUXSPQ-UNMCSNQZSA-N 1 3 341.543 3.901 20 10 EHCDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000157499129 1037625701 /nfs/dbraw/zinc/62/57/01/1037625701.db2.gz MLWNWWSFNMOLCF-NQIIRXRSSA-N 1 3 329.532 3.743 20 10 EHCDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000157499129 1037625714 /nfs/dbraw/zinc/62/57/14/1037625714.db2.gz MLWNWWSFNMOLCF-NQIIRXRSSA-N 1 3 329.532 3.743 20 10 EHCDHO CCN(CC)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000236916698 1040187999 /nfs/dbraw/zinc/18/79/99/1040187999.db2.gz UZJWGKAZPDUYFD-OALUTQOASA-N 1 3 347.547 3.512 20 10 EHCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769471870 1133297884 /nfs/dbraw/zinc/29/78/84/1133297884.db2.gz XPPGXPWCYYWZSW-WIYYLYMNSA-N 1 3 329.532 3.982 20 10 EHCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769471870 1133297888 /nfs/dbraw/zinc/29/78/88/1133297888.db2.gz XPPGXPWCYYWZSW-WIYYLYMNSA-N 1 3 329.532 3.982 20 10 EHCDHO Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000817957986 1136852175 /nfs/dbraw/zinc/85/21/75/1136852175.db2.gz RTRHUFPJEVXNMH-YMPZKCBVSA-N 1 3 349.522 3.702 20 10 EHCDHO CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804493 1137255290 /nfs/dbraw/zinc/25/52/90/1137255290.db2.gz MXXAFPAXNCCPMS-LNLFQRSKSA-N 1 3 334.504 3.631 20 10 EHCDHO CCN(CC)c1ccc(CNCc2ccccc2C[NH2+]C)cc1F ZINC000844904367 1137261577 /nfs/dbraw/zinc/26/15/77/1137261577.db2.gz JIDITSMIYBDUIK-UHFFFAOYSA-N 1 3 329.463 3.681 20 10 EHCDHO [NH3+]CCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000844909405 1137264459 /nfs/dbraw/zinc/26/44/59/1137264459.db2.gz BMMPBVCUWSWNLG-UHFFFAOYSA-N 1 3 340.467 3.532 20 10 EHCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(N3CCCCC3)cc1)C2 ZINC001172101677 1137532408 /nfs/dbraw/zinc/53/24/08/1137532408.db2.gz HPIREXKGGDLEAO-NUZGMZIFSA-N 1 3 327.516 3.782 20 10 EHCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(N3CCCCC3)cc1)C2 ZINC001172101677 1137532409 /nfs/dbraw/zinc/53/24/09/1137532409.db2.gz HPIREXKGGDLEAO-NUZGMZIFSA-N 1 3 327.516 3.782 20 10 EHCDHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765406929 1127608160 /nfs/dbraw/zinc/60/81/60/1127608160.db2.gz WRDZNPKNNGGVKH-UEXGIBASSA-N 1 3 347.547 3.683 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657803 1132242072 /nfs/dbraw/zinc/24/20/72/1132242072.db2.gz UMRBKAGKMSZGNO-WIYYLYMNSA-N 1 3 337.511 3.895 20 10 EHCDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657803 1132242079 /nfs/dbraw/zinc/24/20/79/1132242079.db2.gz UMRBKAGKMSZGNO-WIYYLYMNSA-N 1 3 337.511 3.895 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817946797 1136850057 /nfs/dbraw/zinc/85/00/57/1136850057.db2.gz DYKYQTZJSJOXRN-AVGNSLFASA-N 1 3 341.293 3.502 20 10 EHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976969 1136854371 /nfs/dbraw/zinc/85/43/71/1136854371.db2.gz XXYHXLABTIZTHU-PZJWPPBQSA-N 1 3 336.479 3.798 20 10 EHCDHO C[C@@H](NCc1ccc(C[NH3+])cc1F)c1cc2c(cc1O)CCCC2 ZINC000844924183 1137263201 /nfs/dbraw/zinc/26/32/01/1137263201.db2.gz NJRYPDCTGQRYFU-CYBMUJFWSA-N 1 3 328.431 3.720 20 10 EHCDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827973655 1039189437 /nfs/dbraw/zinc/18/94/37/1039189437.db2.gz KZMFKXWFZYPLEV-UHFFFAOYSA-N 1 3 329.532 3.901 20 10 EHCDHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183253 1040714641 /nfs/dbraw/zinc/71/46/41/1040714641.db2.gz WWJSXRCRFGDMCE-UEXGIBASSA-N 1 3 347.547 3.540 20 10 EHCDHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000248183253 1040714653 /nfs/dbraw/zinc/71/46/53/1040714653.db2.gz WWJSXRCRFGDMCE-UEXGIBASSA-N 1 3 347.547 3.540 20 10 EHCDHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764665055 1127520203 /nfs/dbraw/zinc/52/02/03/1127520203.db2.gz ATZSBNKETIBYCL-KRWDZBQOSA-N 1 3 333.495 3.953 20 10 EHCDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792938914 1134821000 /nfs/dbraw/zinc/82/10/00/1134821000.db2.gz GXJPZINQWVUCJJ-CQSZACIVSA-N 1 3 343.437 3.593 20 10 EHCDHO CCN(CC)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000809705626 1135874797 /nfs/dbraw/zinc/87/47/97/1135874797.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 1 3 333.495 3.729 20 10 EHCDHO CCN(CC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000809705626 1135874800 /nfs/dbraw/zinc/87/48/00/1135874800.db2.gz YHTIDUQIBDMJDH-JWTNVVGKSA-N 1 3 333.495 3.729 20 10 EHCDHO C[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000776265979 1136124802 /nfs/dbraw/zinc/12/48/02/1136124802.db2.gz SITWVWZHQROHOH-NRFANRHFSA-N 1 3 338.495 3.998 20 10 EHCDHO COc1cc(CNC2CC[NH+](C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850012401 1136199390 /nfs/dbraw/zinc/19/93/90/1136199390.db2.gz KFUYYASKSNQXBI-UHFFFAOYSA-N 1 3 334.504 3.661 20 10 EHCDHO COc1cc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120076 1136212424 /nfs/dbraw/zinc/21/24/24/1136212424.db2.gz VNWOFYAKWHYHQU-MRXNPFEDSA-N 1 3 348.531 3.908 20 10 EHCDHO COc1cc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120076 1136212428 /nfs/dbraw/zinc/21/24/28/1136212428.db2.gz VNWOFYAKWHYHQU-MRXNPFEDSA-N 1 3 348.531 3.908 20 10 EHCDHO COc1cc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000850120076 1136212430 /nfs/dbraw/zinc/21/24/30/1136212430.db2.gz VNWOFYAKWHYHQU-MRXNPFEDSA-N 1 3 348.531 3.908 20 10 EHCDHO CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1[O-] ZINC000155626533 1018713504 /nfs/dbraw/zinc/71/35/04/1018713504.db2.gz PLKPBGHURRCGMT-FQEVSTJZSA-N 1 3 342.483 3.964 20 10 EHCDHO CC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241078 1136521316 /nfs/dbraw/zinc/52/13/16/1136521316.db2.gz UGJWCAGMNXFNAI-WIYYLYMNSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241078 1136521320 /nfs/dbraw/zinc/52/13/20/1136521320.db2.gz UGJWCAGMNXFNAI-WIYYLYMNSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000853241078 1136521322 /nfs/dbraw/zinc/52/13/22/1136521322.db2.gz UGJWCAGMNXFNAI-WIYYLYMNSA-N 1 3 329.532 3.915 20 10 EHCDHO CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804494 1137255298 /nfs/dbraw/zinc/25/52/98/1137255298.db2.gz MXXAFPAXNCCPMS-SCTDSRPQSA-N 1 3 334.504 3.631 20 10 EHCDHO CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794804494 1137255300 /nfs/dbraw/zinc/25/53/00/1137255300.db2.gz MXXAFPAXNCCPMS-SCTDSRPQSA-N 1 3 334.504 3.631 20 10 EHCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1[O-] ZINC000844924578 1137263130 /nfs/dbraw/zinc/26/31/30/1137263130.db2.gz MERWRBHLGGOFHI-LBPRGKRZSA-N 1 3 341.293 3.503 20 10 EHCDHO CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[O-] ZINC000902499886 1030935057 /nfs/dbraw/zinc/93/50/57/1030935057.db2.gz CFHQIQMZFOOQNG-WAOWUJCRSA-N 1 3 338.451 3.689 20 10 EHCDHO COc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533154 1035656594 /nfs/dbraw/zinc/65/65/94/1035656594.db2.gz PBZAUHYMVKAOEP-KXBFYZLASA-N 1 3 346.515 3.614 20 10 EHCDHO COc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164533154 1035656599 /nfs/dbraw/zinc/65/65/99/1035656599.db2.gz PBZAUHYMVKAOEP-KXBFYZLASA-N 1 3 346.515 3.614 20 10 EHCDHO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817899282 1136844847 /nfs/dbraw/zinc/84/48/47/1136844847.db2.gz NKOWKRIJFGIIEQ-PWRODBHTSA-N 1 3 327.516 3.687 20 10 EHCDHO