smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532196248 1032079841 /nfs/dbraw/zinc/07/98/41/1032079841.db2.gz XWOQAHYEFFCXGO-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000532210699 1032091706 /nfs/dbraw/zinc/09/17/06/1032091706.db2.gz IEUHHDSTKVHYKC-UTKZUKDTSA-N 2 2 338.495 4.200 20 0 EIADLP COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000057602357 1032104512 /nfs/dbraw/zinc/10/45/12/1032104512.db2.gz YIWRBFNTQXJUDI-UHFFFAOYSA-N 2 2 333.435 4.046 20 0 EIADLP COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000057602357 1032104522 /nfs/dbraw/zinc/10/45/22/1032104522.db2.gz YIWRBFNTQXJUDI-UHFFFAOYSA-N 2 2 333.435 4.046 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000508621030 1032245064 /nfs/dbraw/zinc/24/50/64/1032245064.db2.gz KWPPXLXQZIZSFX-HNNXBMFYSA-N 2 2 331.529 4.234 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000508621030 1032245076 /nfs/dbraw/zinc/24/50/76/1032245076.db2.gz KWPPXLXQZIZSFX-HNNXBMFYSA-N 2 2 331.529 4.234 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000532374669 1032251690 /nfs/dbraw/zinc/25/16/90/1032251690.db2.gz NDYHFSZTKNUVCE-QWHZDKJVSA-N 2 2 332.875 4.179 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000532374669 1032251701 /nfs/dbraw/zinc/25/17/01/1032251701.db2.gz NDYHFSZTKNUVCE-QWHZDKJVSA-N 2 2 332.875 4.179 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000177890590 1032523506 /nfs/dbraw/zinc/52/35/06/1032523506.db2.gz AMUAHXAEWGNNNS-KURKYZTESA-N 2 2 342.483 4.048 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000666094152 1032524884 /nfs/dbraw/zinc/52/48/84/1032524884.db2.gz LBZISLGTYRLDBA-UTKZUKDTSA-N 2 2 349.478 4.372 20 0 EIADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167902676 1032685204 /nfs/dbraw/zinc/68/52/04/1032685204.db2.gz NJFDYBUQQWVUOT-ZBYYUNFXSA-N 2 2 332.491 4.096 20 0 EIADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CCC2 ZINC000579837504 1019533525 /nfs/dbraw/zinc/53/35/25/1019533525.db2.gz GBFRPHWSFYGLOC-LPHOPBHVSA-N 2 2 341.524 4.458 20 0 EIADLP CCC(CC)[N@H+](CCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209053802 1019959490 /nfs/dbraw/zinc/95/94/90/1019959490.db2.gz OWCDDDLSRGKADN-UHFFFAOYSA-N 2 2 332.532 4.178 20 0 EIADLP CCC(CC)[N@@H+](CCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209053802 1019959504 /nfs/dbraw/zinc/95/95/04/1019959504.db2.gz OWCDDDLSRGKADN-UHFFFAOYSA-N 2 2 332.532 4.178 20 0 EIADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000275572626 1020828668 /nfs/dbraw/zinc/82/86/68/1020828668.db2.gz BBBRZQYUQFCKHB-YLJYHZDGSA-N 2 2 339.458 4.115 20 0 EIADLP CCC(CC)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655696274 1020902131 /nfs/dbraw/zinc/90/21/31/1020902131.db2.gz DWXNONIGTYDKQY-NHCUHLMSSA-N 2 2 330.516 4.007 20 0 EIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608739 1021179977 /nfs/dbraw/zinc/17/99/77/1021179977.db2.gz UOLRNOHJTQWVRS-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608739 1021179979 /nfs/dbraw/zinc/17/99/79/1021179979.db2.gz UOLRNOHJTQWVRS-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000683772724 1021459197 /nfs/dbraw/zinc/45/91/97/1021459197.db2.gz POKHBQMELUWSLI-OAQYLSRUSA-N 2 2 342.446 4.042 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)ccc1Br ZINC000376178574 1021672283 /nfs/dbraw/zinc/67/22/83/1021672283.db2.gz RUSDLXNCWZFTNH-ZFWWWQNUSA-N 2 2 348.288 4.182 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2cccs2)s1 ZINC000580245340 1021794207 /nfs/dbraw/zinc/79/42/07/1021794207.db2.gz JQIOOZZILQCZEG-UHFFFAOYSA-N 2 2 335.542 4.179 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2cccs2)s1 ZINC000580245340 1021794228 /nfs/dbraw/zinc/79/42/28/1021794228.db2.gz JQIOOZZILQCZEG-UHFFFAOYSA-N 2 2 335.542 4.179 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000925509736 1022177598 /nfs/dbraw/zinc/17/75/98/1022177598.db2.gz ZIVBKGQNBFLACU-NSHDSACASA-N 2 2 340.364 4.155 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1Cl ZINC000163831574 1022193305 /nfs/dbraw/zinc/19/33/05/1022193305.db2.gz PUJONZFXAPTFDG-INIZCTEOSA-N 2 2 344.886 4.023 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892650720 1022822502 /nfs/dbraw/zinc/82/25/02/1022822502.db2.gz PYWMEDQKRNKTAH-HNNXBMFYSA-N 2 2 325.378 4.164 20 0 EIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506115 1023069423 /nfs/dbraw/zinc/06/94/23/1023069423.db2.gz YKLOSASSGVLQMT-UHFFFAOYSA-N 2 2 334.813 4.277 20 0 EIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506115 1023069431 /nfs/dbraw/zinc/06/94/31/1023069431.db2.gz YKLOSASSGVLQMT-UHFFFAOYSA-N 2 2 334.813 4.277 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000656503600 1023074768 /nfs/dbraw/zinc/07/47/68/1023074768.db2.gz OACZXRTYSBJQKN-IBGZPJMESA-N 2 2 339.870 4.190 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581458328 1023235316 /nfs/dbraw/zinc/23/53/16/1023235316.db2.gz MVWPUVKHPVDIIE-BTYIYWSLSA-N 2 2 335.426 4.094 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581458331 1023235358 /nfs/dbraw/zinc/23/53/58/1023235358.db2.gz MVWPUVKHPVDIIE-YCRPNKLZSA-N 2 2 335.426 4.094 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581458329 1023237308 /nfs/dbraw/zinc/23/73/08/1023237308.db2.gz MVWPUVKHPVDIIE-QVKFZJNVSA-N 2 2 335.426 4.094 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430604224 1023246433 /nfs/dbraw/zinc/24/64/33/1023246433.db2.gz PSPCJQNBZRCGMW-OAHLLOKOSA-N 2 2 329.513 4.104 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430604224 1023246444 /nfs/dbraw/zinc/24/64/44/1023246444.db2.gz PSPCJQNBZRCGMW-OAHLLOKOSA-N 2 2 329.513 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306856 1023255607 /nfs/dbraw/zinc/25/56/07/1023255607.db2.gz AZNBTPVWJXFCIJ-CWRNSKLLSA-N 2 2 341.455 4.355 20 0 EIADLP COc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415081238 1023429530 /nfs/dbraw/zinc/42/95/30/1023429530.db2.gz KMPMLBIQVCXSGS-JXFKEZNVSA-N 2 2 344.886 4.170 20 0 EIADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120152296 1023502466 /nfs/dbraw/zinc/50/24/66/1023502466.db2.gz SUQDTGIAZZTQOI-ZWKOTPCHSA-N 3 2 328.504 4.033 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000377407668 1023518205 /nfs/dbraw/zinc/51/82/05/1023518205.db2.gz AXOOHJQSRBLXGP-JSGCOSHPSA-N 2 2 333.888 4.137 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000163744113 1023572482 /nfs/dbraw/zinc/57/24/82/1023572482.db2.gz YVUCCUXUBBRSBJ-INIZCTEOSA-N 2 2 344.886 4.023 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000684383146 1023597327 /nfs/dbraw/zinc/59/73/27/1023597327.db2.gz SWOFUGBPOURXEL-GOSISDBHSA-N 2 2 341.405 4.431 20 0 EIADLP C[C@]1(C[NH2+]Cc2cccc3cnccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000397947920 1023605078 /nfs/dbraw/zinc/60/50/78/1023605078.db2.gz NKFNZWQWVSPYBT-HSZRJFAPSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@]1(C[NH2+]Cc2cccc3cnccc32)CCC[N@H+]1Cc1ccccc1 ZINC000397947920 1023605082 /nfs/dbraw/zinc/60/50/82/1023605082.db2.gz NKFNZWQWVSPYBT-HSZRJFAPSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564569 1023682427 /nfs/dbraw/zinc/68/24/27/1023682427.db2.gz ALDANMRGYVSNQA-OXJNMPFZSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564569 1023682436 /nfs/dbraw/zinc/68/24/36/1023682436.db2.gz ALDANMRGYVSNQA-OXJNMPFZSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000430729774 1023979665 /nfs/dbraw/zinc/97/96/65/1023979665.db2.gz HPEUBZZJSVHVTF-LXGFNABISA-N 2 2 329.532 4.411 20 0 EIADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccc(F)c2)c1 ZINC000510698930 1024250178 /nfs/dbraw/zinc/25/01/78/1024250178.db2.gz ADIANPLCNCZDCB-JOCHJYFZSA-N 2 2 338.470 4.440 20 0 EIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCC(F)(F)F ZINC000549553857 1024299727 /nfs/dbraw/zinc/29/97/27/1024299727.db2.gz ICHDCFLXPPYDNL-MRXNPFEDSA-N 2 2 328.422 4.001 20 0 EIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCC(F)(F)F ZINC000549553857 1024299746 /nfs/dbraw/zinc/29/97/46/1024299746.db2.gz ICHDCFLXPPYDNL-MRXNPFEDSA-N 2 2 328.422 4.001 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935676 1024312141 /nfs/dbraw/zinc/31/21/41/1024312141.db2.gz KFDFTXITQKCDBJ-NVXWUHKLSA-N 2 2 343.902 4.161 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935676 1024312154 /nfs/dbraw/zinc/31/21/54/1024312154.db2.gz KFDFTXITQKCDBJ-NVXWUHKLSA-N 2 2 343.902 4.161 20 0 EIADLP CC1(C)CC([NH2+]Cc2nc(-c3ccccc3)cs2)CC(C)(C)[NH2+]1 ZINC000236740324 1024345587 /nfs/dbraw/zinc/34/55/87/1024345587.db2.gz OZUJEQGBSGBVAN-UHFFFAOYSA-N 2 2 329.513 4.209 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000473134157 1024360622 /nfs/dbraw/zinc/36/06/22/1024360622.db2.gz WDFJPARVODHNHU-OXJNMPFZSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000473134157 1024360641 /nfs/dbraw/zinc/36/06/41/1024360641.db2.gz WDFJPARVODHNHU-OXJNMPFZSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134157 1024360660 /nfs/dbraw/zinc/36/06/60/1024360660.db2.gz WDFJPARVODHNHU-OXJNMPFZSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134157 1024360673 /nfs/dbraw/zinc/36/06/73/1024360673.db2.gz WDFJPARVODHNHU-OXJNMPFZSA-N 2 2 342.458 4.016 20 0 EIADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000341707042 1024362726 /nfs/dbraw/zinc/36/27/26/1024362726.db2.gz NBXLFTZEYGQZIC-INIZCTEOSA-N 2 2 331.847 4.041 20 0 EIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2c1C ZINC000473137744 1024376926 /nfs/dbraw/zinc/37/69/26/1024376926.db2.gz IDQVSEAQCUCPIG-QGZVFWFLSA-N 2 2 334.467 4.114 20 0 EIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2c1C ZINC000473137744 1024376947 /nfs/dbraw/zinc/37/69/47/1024376947.db2.gz IDQVSEAQCUCPIG-QGZVFWFLSA-N 2 2 334.467 4.114 20 0 EIADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431153771 1024736708 /nfs/dbraw/zinc/73/67/08/1024736708.db2.gz RPSAMMCPWLINKX-DYVFJYSZSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431153771 1024736741 /nfs/dbraw/zinc/73/67/41/1024736741.db2.gz RPSAMMCPWLINKX-DYVFJYSZSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431153773 1024739289 /nfs/dbraw/zinc/73/92/89/1024739289.db2.gz RPSAMMCPWLINKX-GUYCJALGSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431153773 1024739320 /nfs/dbraw/zinc/73/93/20/1024739320.db2.gz RPSAMMCPWLINKX-GUYCJALGSA-N 2 2 347.256 4.058 20 0 EIADLP CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511923657 1024800929 /nfs/dbraw/zinc/80/09/29/1024800929.db2.gz AKHPEWJKAASXQJ-YLJYHZDGSA-N 2 2 343.540 4.254 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000277092498 1025037142 /nfs/dbraw/zinc/03/71/42/1025037142.db2.gz GLIAWIYLGFXTCX-LZQZEXGQSA-N 2 2 347.572 4.117 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)c(F)c(F)c1 ZINC000151330707 1025283280 /nfs/dbraw/zinc/28/32/80/1025283280.db2.gz UFBCXFNGNDDWQM-CYBMUJFWSA-N 2 2 345.368 4.200 20 0 EIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CCSC3)cc2)c[nH+]1 ZINC000165551438 1025327691 /nfs/dbraw/zinc/32/76/91/1025327691.db2.gz FLRXVGYHNDVNSL-FQEVSTJZSA-N 2 2 349.503 4.194 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000319650911 1025389473 /nfs/dbraw/zinc/38/94/73/1025389473.db2.gz DKPBOCQVESCCKA-JKSUJKDBSA-N 2 2 333.476 4.264 20 0 EIADLP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2c1C ZINC000472041775 1025488531 /nfs/dbraw/zinc/48/85/31/1025488531.db2.gz AVXGNHFNAQWFPQ-UHFFFAOYSA-N 2 2 344.462 4.319 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000512056042 1025853288 /nfs/dbraw/zinc/85/32/88/1025853288.db2.gz FFDYIXVGJMFVKQ-FYYGKBSSSA-N 2 2 343.559 4.344 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000512056042 1025853293 /nfs/dbraw/zinc/85/32/93/1025853293.db2.gz FFDYIXVGJMFVKQ-FYYGKBSSSA-N 2 2 343.559 4.344 20 0 EIADLP CCc1cccc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)oc21 ZINC000657311124 1025882000 /nfs/dbraw/zinc/88/20/00/1025882000.db2.gz XOSAMRRINGCLIO-UHFFFAOYSA-N 2 2 335.451 4.149 20 0 EIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(CC)CC ZINC000344029917 1025886480 /nfs/dbraw/zinc/88/64/80/1025886480.db2.gz CYONWNXESOBQFE-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450809 1026036041 /nfs/dbraw/zinc/03/60/41/1026036041.db2.gz YEJVGOZGBCWKKH-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450809 1026036062 /nfs/dbraw/zinc/03/60/62/1026036062.db2.gz YEJVGOZGBCWKKH-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP c1cn(-c2csc(C[NH2+]C[C@H]3SCCc4ccccc43)c2)c[nH+]1 ZINC000344150075 1026069149 /nfs/dbraw/zinc/06/91/49/1026069149.db2.gz TXCZKMZPCZJFJI-GOSISDBHSA-N 2 2 341.505 4.054 20 0 EIADLP c1cn(C2CC[NH+](CCCOc3cccc4ccccc43)CC2)c[nH+]1 ZINC000111243397 1026115882 /nfs/dbraw/zinc/11/58/82/1026115882.db2.gz ACFLKKPKTAPJJF-UHFFFAOYSA-N 2 2 335.451 4.142 20 0 EIADLP Cc1nc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)sc1C ZINC000344222972 1026159372 /nfs/dbraw/zinc/15/93/72/1026159372.db2.gz MSIMTNLZMKRFNT-UHFFFAOYSA-N 2 2 332.498 4.032 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303741799 1026190521 /nfs/dbraw/zinc/19/05/21/1026190521.db2.gz IQCITULRUCYTME-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000303741799 1026190524 /nfs/dbraw/zinc/19/05/24/1026190524.db2.gz IQCITULRUCYTME-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741799 1026190528 /nfs/dbraw/zinc/19/05/28/1026190528.db2.gz IQCITULRUCYTME-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741799 1026190532 /nfs/dbraw/zinc/19/05/32/1026190532.db2.gz IQCITULRUCYTME-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP Clc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167978241 1026344125 /nfs/dbraw/zinc/34/41/25/1026344125.db2.gz NAJVRIYRANGNNH-RGPMPMONSA-N 2 2 345.918 4.181 20 0 EIADLP Clc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167978241 1026344141 /nfs/dbraw/zinc/34/41/41/1026344141.db2.gz NAJVRIYRANGNNH-RGPMPMONSA-N 2 2 345.918 4.181 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507110124 1026646196 /nfs/dbraw/zinc/64/61/96/1026646196.db2.gz ITCVUDOAWSJPNR-MNDPQUGUSA-N 2 2 342.527 4.187 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000507495400 1026811577 /nfs/dbraw/zinc/81/15/77/1026811577.db2.gz MHEJMZIILCJWBB-QZTJIDSGSA-N 2 2 325.500 4.205 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000507495400 1026811579 /nfs/dbraw/zinc/81/15/79/1026811579.db2.gz MHEJMZIILCJWBB-QZTJIDSGSA-N 2 2 325.500 4.205 20 0 EIADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582695589 1026954131 /nfs/dbraw/zinc/95/41/31/1026954131.db2.gz XIJXFQMQLHIVRA-DLBZAZTESA-N 2 2 331.891 4.167 20 0 EIADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC001167603196 1026983235 /nfs/dbraw/zinc/98/32/35/1026983235.db2.gz UQZHGJFXMHIQQJ-GFCCVEGCSA-N 2 2 338.282 4.279 20 0 EIADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC001167603196 1026983244 /nfs/dbraw/zinc/98/32/44/1026983244.db2.gz UQZHGJFXMHIQQJ-GFCCVEGCSA-N 2 2 338.282 4.279 20 0 EIADLP CCC[N@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC[NH2+]CC1 ZINC000261793224 1027307275 /nfs/dbraw/zinc/30/72/75/1027307275.db2.gz UBHPGHPWYFMSNO-UHFFFAOYSA-N 2 2 329.513 4.083 20 0 EIADLP CCC[N@@H+](Cc1csc(-c2ccc(C)cc2)n1)C1CC[NH2+]CC1 ZINC000261793224 1027307290 /nfs/dbraw/zinc/30/72/90/1027307290.db2.gz UBHPGHPWYFMSNO-UHFFFAOYSA-N 2 2 329.513 4.083 20 0 EIADLP Cc1cccc(C)c1OCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000520212313 1027324154 /nfs/dbraw/zinc/32/41/54/1027324154.db2.gz ZQJNAJMUJHSKBO-UHFFFAOYSA-N 2 2 335.451 4.048 20 0 EIADLP Fc1cccc(F)c1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000346079680 1027375181 /nfs/dbraw/zinc/37/51/81/1027375181.db2.gz QOTXAJLEKSTQEJ-MRXNPFEDSA-N 2 2 339.389 4.140 20 0 EIADLP Fc1cccc(F)c1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000346079680 1027375205 /nfs/dbraw/zinc/37/52/05/1027375205.db2.gz QOTXAJLEKSTQEJ-MRXNPFEDSA-N 2 2 339.389 4.140 20 0 EIADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1Cl ZINC000657648404 1027386250 /nfs/dbraw/zinc/38/62/50/1027386250.db2.gz KOQUPQOOWVPYME-IBGZPJMESA-N 2 2 339.870 4.456 20 0 EIADLP C[C@H]1CC([NH+]2CC3(C2)CC(F)(F)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041820 1027517087 /nfs/dbraw/zinc/51/70/87/1027517087.db2.gz VWAALBFSNYMIMP-HOTGVXAUSA-N 2 2 334.454 4.159 20 0 EIADLP Cc1ccc2cc[nH+]c(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000582901830 1027639382 /nfs/dbraw/zinc/63/93/82/1027639382.db2.gz ZZNUENHKAYPTCR-UHFFFAOYSA-N 2 2 332.451 4.015 20 0 EIADLP Cc1[nH+]cc(C[NH2+][C@@H](COc2c(C)cccc2C)c2ccccc2)n1C ZINC000520429673 1027730979 /nfs/dbraw/zinc/73/09/79/1027730979.db2.gz RYWKNFBEHLRSMW-NRFANRHFSA-N 2 2 349.478 4.255 20 0 EIADLP COc1cccc(C=C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444592901 1027878793 /nfs/dbraw/zinc/87/87/93/1027878793.db2.gz DZIAZMGIOXHFDO-UHFFFAOYSA-N 2 2 328.500 4.050 20 0 EIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1F ZINC000926448751 1027921472 /nfs/dbraw/zinc/92/14/72/1027921472.db2.gz BCAUXRQVHZXSHK-WPRPVWTQSA-N 2 2 328.218 4.064 20 0 EIADLP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046647 1028100951 /nfs/dbraw/zinc/10/09/51/1028100951.db2.gz OSCJUPNHWQIQDC-PBWTXFEYSA-N 2 2 348.481 4.405 20 0 EIADLP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046647 1028100955 /nfs/dbraw/zinc/10/09/55/1028100955.db2.gz OSCJUPNHWQIQDC-PBWTXFEYSA-N 2 2 348.481 4.405 20 0 EIADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)nn(C)c1C ZINC000155154233 1028362237 /nfs/dbraw/zinc/36/22/37/1028362237.db2.gz CATDCVUYBNNRMG-KUHUBIRLSA-N 2 2 337.471 4.025 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263028 1028375637 /nfs/dbraw/zinc/37/56/37/1028375637.db2.gz YQTXPSFENSWQPT-AEFFLSMTSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263028 1028375661 /nfs/dbraw/zinc/37/56/61/1028375661.db2.gz YQTXPSFENSWQPT-AEFFLSMTSA-N 2 2 341.524 4.299 20 0 EIADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000343157943 1028423531 /nfs/dbraw/zinc/42/35/31/1028423531.db2.gz HZDOZNRBUFVYDK-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)c2ccccc21 ZINC000635004490 1028815444 /nfs/dbraw/zinc/81/54/44/1028815444.db2.gz PITPRCPGPFSVOS-MZYLBHOOSA-N 2 2 343.474 4.490 20 0 EIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000459365792 1028898589 /nfs/dbraw/zinc/89/85/89/1028898589.db2.gz KXHBCQYALCEUIJ-NRFANRHFSA-N 2 2 337.442 4.213 20 0 EIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000459365792 1028898592 /nfs/dbraw/zinc/89/85/92/1028898592.db2.gz KXHBCQYALCEUIJ-NRFANRHFSA-N 2 2 337.442 4.213 20 0 EIADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000151149507 1029192317 /nfs/dbraw/zinc/19/23/17/1029192317.db2.gz JWZCDFRQDSFXRQ-INIZCTEOSA-N 2 2 325.378 4.423 20 0 EIADLP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157882468 1029261054 /nfs/dbraw/zinc/26/10/54/1029261054.db2.gz RFTIWVPMOVTUCU-OALUTQOASA-N 3 2 340.515 4.178 20 0 EIADLP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157882468 1029261068 /nfs/dbraw/zinc/26/10/68/1029261068.db2.gz RFTIWVPMOVTUCU-OALUTQOASA-N 3 2 340.515 4.178 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)c(Cl)c1 ZINC000657817910 1029524950 /nfs/dbraw/zinc/52/49/50/1029524950.db2.gz QEOGZCKVDRUMQQ-NSHDSACASA-N 2 2 342.668 4.040 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C ZINC000475352774 1029566043 /nfs/dbraw/zinc/56/60/43/1029566043.db2.gz JAPIRBXHSGZGFP-WICCELJUSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1cccc(C)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475354639 1029570061 /nfs/dbraw/zinc/57/00/61/1029570061.db2.gz ZGJITOHAXLUBIL-UHFFFAOYSA-N 2 2 340.433 4.198 20 0 EIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475353214 1029570099 /nfs/dbraw/zinc/57/00/99/1029570099.db2.gz FPKNTVUOHPPGJR-VBJONLRCSA-N 2 2 332.454 4.208 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2s1 ZINC000446758071 1029569992 /nfs/dbraw/zinc/56/99/92/1029569992.db2.gz YOIBBDBONNWXME-AWEZNQCLSA-N 2 2 325.481 4.327 20 0 EIADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccn1 ZINC000158793481 1029590296 /nfs/dbraw/zinc/59/02/96/1029590296.db2.gz HEKJPAIMSOUEGF-SFHVURJKSA-N 2 2 338.430 4.346 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063219 1029601645 /nfs/dbraw/zinc/60/16/45/1029601645.db2.gz MMGPALBMAUGMSB-ROUUACIJSA-N 2 2 335.495 4.147 20 0 EIADLP Cc1cc2c(cn1)C[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063219 1029601648 /nfs/dbraw/zinc/60/16/48/1029601648.db2.gz MMGPALBMAUGMSB-ROUUACIJSA-N 2 2 335.495 4.147 20 0 EIADLP CC(C)c1ccc(CC[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000584081312 1029602457 /nfs/dbraw/zinc/60/24/57/1029602457.db2.gz QRPNRWXPUCDINM-UHFFFAOYSA-N 2 2 333.479 4.387 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000446841108 1029604998 /nfs/dbraw/zinc/60/49/98/1029604998.db2.gz MBYKNCKGVHTPBK-ZOBUZTSGSA-N 2 2 326.406 4.205 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000446841108 1029605003 /nfs/dbraw/zinc/60/50/03/1029605003.db2.gz MBYKNCKGVHTPBK-ZOBUZTSGSA-N 2 2 326.406 4.205 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000447099344 1029694200 /nfs/dbraw/zinc/69/42/00/1029694200.db2.gz RANBUOBLXUGPIG-KDOFPFPSSA-N 2 2 326.440 4.150 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3ccc(C)cc3)o1)CCC2 ZINC000525695165 1029938821 /nfs/dbraw/zinc/93/88/21/1029938821.db2.gz ZLXWQVFJROJORP-SFHVURJKSA-N 2 2 335.451 4.427 20 0 EIADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450942971 1030120755 /nfs/dbraw/zinc/12/07/55/1030120755.db2.gz VOZMNHBSAHJGEL-TVRKMHQQSA-N 2 2 345.556 4.010 20 0 EIADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450942971 1030120764 /nfs/dbraw/zinc/12/07/64/1030120764.db2.gz VOZMNHBSAHJGEL-TVRKMHQQSA-N 2 2 345.556 4.010 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220321 1030215333 /nfs/dbraw/zinc/21/53/33/1030215333.db2.gz NMUBORVEJWTKTR-YOEHRIQHSA-N 2 2 341.524 4.362 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222730 1030215761 /nfs/dbraw/zinc/21/57/61/1030215761.db2.gz RCPYHKQIIOQLGI-IERDGZPVSA-N 2 2 336.479 4.297 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000392525769 1030309303 /nfs/dbraw/zinc/30/93/03/1030309303.db2.gz LRFGKXMFXQQCTL-NRFANRHFSA-N 2 2 326.484 4.105 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000392525769 1030309321 /nfs/dbraw/zinc/30/93/21/1030309321.db2.gz LRFGKXMFXQQCTL-NRFANRHFSA-N 2 2 326.484 4.105 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139021 1030336879 /nfs/dbraw/zinc/33/68/79/1030336879.db2.gz LQHVYDXNLADJGO-XMSQKQJNSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139021 1030336896 /nfs/dbraw/zinc/33/68/96/1030336896.db2.gz LQHVYDXNLADJGO-XMSQKQJNSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139021 1030336909 /nfs/dbraw/zinc/33/69/09/1030336909.db2.gz LQHVYDXNLADJGO-XMSQKQJNSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139021 1030336929 /nfs/dbraw/zinc/33/69/29/1030336929.db2.gz LQHVYDXNLADJGO-XMSQKQJNSA-N 2 2 337.511 4.183 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2cnccc2o1 ZINC000657901419 1030405265 /nfs/dbraw/zinc/40/52/65/1030405265.db2.gz TXIKPSIPWIIKNL-UWVAXJGDSA-N 2 2 349.478 4.389 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2cnccc2o1 ZINC000657901419 1030405274 /nfs/dbraw/zinc/40/52/74/1030405274.db2.gz TXIKPSIPWIIKNL-UWVAXJGDSA-N 2 2 349.478 4.389 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426684 1030428176 /nfs/dbraw/zinc/42/81/76/1030428176.db2.gz PWXWMSKHJXNMRC-QGZVFWFLSA-N 2 2 346.877 4.481 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426684 1030428188 /nfs/dbraw/zinc/42/81/88/1030428188.db2.gz PWXWMSKHJXNMRC-QGZVFWFLSA-N 2 2 346.877 4.481 20 0 EIADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143458470 1030441571 /nfs/dbraw/zinc/44/15/71/1030441571.db2.gz NUTJUITWBLVPJM-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143458470 1030441589 /nfs/dbraw/zinc/44/15/89/1030441589.db2.gz NUTJUITWBLVPJM-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP FC(F)c1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000527223245 1030560628 /nfs/dbraw/zinc/56/06/28/1030560628.db2.gz AHEGMTFGVUNKRH-UHFFFAOYSA-N 2 2 341.405 4.201 20 0 EIADLP Clc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1-c1ccccc1 ZINC000527695106 1030816763 /nfs/dbraw/zinc/81/67/63/1030816763.db2.gz MHCBKTFVFOUXDY-QGZVFWFLSA-N 2 2 337.854 4.308 20 0 EIADLP Clc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1-c1ccccc1 ZINC000527710418 1030831161 /nfs/dbraw/zinc/83/11/61/1030831161.db2.gz KYVJAZREMGYHKB-INIZCTEOSA-N 2 2 337.854 4.377 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)n2c1CCCC2 ZINC000548859327 1030835997 /nfs/dbraw/zinc/83/59/97/1030835997.db2.gz ZJIIAKOYXPMNLV-SFHVURJKSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n2c1CCCC2 ZINC000548859327 1030836006 /nfs/dbraw/zinc/83/60/06/1030836006.db2.gz ZJIIAKOYXPMNLV-SFHVURJKSA-N 2 2 346.478 4.147 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1 ZINC000658195082 1030878767 /nfs/dbraw/zinc/87/87/67/1030878767.db2.gz MGGYLWYTRVUDRO-CBNMVNINSA-N 2 2 331.463 4.240 20 0 EIADLP CC(C)CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658294376 1030958485 /nfs/dbraw/zinc/95/84/85/1030958485.db2.gz MZAULAHAOUQWEB-FCHUYYIVSA-N 2 2 344.543 4.397 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000531212750 1030987397 /nfs/dbraw/zinc/98/73/97/1030987397.db2.gz FSDLSPZQXAIURH-CVEARBPZSA-N 2 2 337.389 4.331 20 0 EIADLP C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527967892 1031009275 /nfs/dbraw/zinc/00/92/75/1031009275.db2.gz NFZPBKLDKIPQAY-KKSFZXQISA-N 2 2 332.451 4.459 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cn1 ZINC000528045189 1031081887 /nfs/dbraw/zinc/08/18/87/1031081887.db2.gz YDJJPCGZKFZJKT-VFNWGFHPSA-N 2 2 348.450 4.078 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589647 1031321141 /nfs/dbraw/zinc/32/11/41/1031321141.db2.gz ROVIOMMRJWFCJD-LPHOPBHVSA-N 2 2 330.516 4.119 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589647 1031321162 /nfs/dbraw/zinc/32/11/62/1031321162.db2.gz ROVIOMMRJWFCJD-LPHOPBHVSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589647 1031321183 /nfs/dbraw/zinc/32/11/83/1031321183.db2.gz ROVIOMMRJWFCJD-LPHOPBHVSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589647 1031321201 /nfs/dbraw/zinc/32/12/01/1031321201.db2.gz ROVIOMMRJWFCJD-LPHOPBHVSA-N 2 2 330.516 4.119 20 0 EIADLP Clc1ccc(-c2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)on2)cc1 ZINC000111243537 1031331264 /nfs/dbraw/zinc/33/12/64/1031331264.db2.gz WHUKDOAZXHSDEI-UHFFFAOYSA-N 2 2 342.830 4.029 20 0 EIADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000375838362 1031341271 /nfs/dbraw/zinc/34/12/71/1031341271.db2.gz IXNZNMSUZYKNMH-CABCVRRESA-N 2 2 347.890 4.390 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449015744 1031342028 /nfs/dbraw/zinc/34/20/28/1031342028.db2.gz MDNAGSTVXDUFFM-UHFFFAOYSA-N 2 2 347.503 4.255 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449015744 1031342043 /nfs/dbraw/zinc/34/20/43/1031342043.db2.gz MDNAGSTVXDUFFM-UHFFFAOYSA-N 2 2 347.503 4.255 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000449031915 1031365932 /nfs/dbraw/zinc/36/59/32/1031365932.db2.gz XWTNJXYWKXLAML-YLJYHZDGSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449031915 1031365945 /nfs/dbraw/zinc/36/59/45/1031365945.db2.gz XWTNJXYWKXLAML-YLJYHZDGSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031915 1031365964 /nfs/dbraw/zinc/36/59/64/1031365964.db2.gz XWTNJXYWKXLAML-YLJYHZDGSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031915 1031365983 /nfs/dbraw/zinc/36/59/83/1031365983.db2.gz XWTNJXYWKXLAML-YLJYHZDGSA-N 2 2 349.478 4.313 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000449096555 1031441803 /nfs/dbraw/zinc/44/18/03/1031441803.db2.gz IQKQSDGPVVZCPW-UHFFFAOYSA-N 2 2 335.451 4.197 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000531696523 1031477306 /nfs/dbraw/zinc/47/73/06/1031477306.db2.gz KQAMAWHASNUBKZ-OAHLLOKOSA-N 2 2 339.414 4.179 20 0 EIADLP Cc1ccc2sc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426977 1031507041 /nfs/dbraw/zinc/50/70/41/1031507041.db2.gz WRIMCUVYNSHWMM-MAUKXSAKSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426977 1031507047 /nfs/dbraw/zinc/50/70/47/1031507047.db2.gz WRIMCUVYNSHWMM-MAUKXSAKSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000528426977 1031507054 /nfs/dbraw/zinc/50/70/54/1031507054.db2.gz WRIMCUVYNSHWMM-MAUKXSAKSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000528426977 1031507066 /nfs/dbraw/zinc/50/70/66/1031507066.db2.gz WRIMCUVYNSHWMM-MAUKXSAKSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426980 1031507270 /nfs/dbraw/zinc/50/72/70/1031507270.db2.gz WRIMCUVYNSHWMM-YJBOKZPZSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426980 1031507282 /nfs/dbraw/zinc/50/72/82/1031507282.db2.gz WRIMCUVYNSHWMM-YJBOKZPZSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000528426980 1031507290 /nfs/dbraw/zinc/50/72/90/1031507290.db2.gz WRIMCUVYNSHWMM-YJBOKZPZSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000528426980 1031507292 /nfs/dbraw/zinc/50/72/92/1031507292.db2.gz WRIMCUVYNSHWMM-YJBOKZPZSA-N 2 2 341.524 4.053 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000449193117 1031512193 /nfs/dbraw/zinc/51/21/93/1031512193.db2.gz QMRQBRWZSWLSPK-QGZVFWFLSA-N 2 2 332.536 4.056 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000449193117 1031512202 /nfs/dbraw/zinc/51/22/02/1031512202.db2.gz QMRQBRWZSWLSPK-QGZVFWFLSA-N 2 2 332.536 4.056 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000528441687 1031525193 /nfs/dbraw/zinc/52/51/93/1031525193.db2.gz QSFCYZNFZMJMRL-JKSUJKDBSA-N 2 2 343.540 4.347 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000528441687 1031525210 /nfs/dbraw/zinc/52/52/10/1031525210.db2.gz QSFCYZNFZMJMRL-JKSUJKDBSA-N 2 2 343.540 4.347 20 0 EIADLP COc1cc(C)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000449185669 1031526041 /nfs/dbraw/zinc/52/60/41/1031526041.db2.gz ICMIYOCKGDNWDN-OAQYLSRUSA-N 2 2 349.478 4.348 20 0 EIADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000449229430 1031558784 /nfs/dbraw/zinc/55/87/84/1031558784.db2.gz AYRMUDFYUZCCIS-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000449229430 1031558797 /nfs/dbraw/zinc/55/87/97/1031558797.db2.gz AYRMUDFYUZCCIS-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000449250212 1031567712 /nfs/dbraw/zinc/56/77/12/1031567712.db2.gz OLZLVEQVSWSJKD-QGZVFWFLSA-N 2 2 338.561 4.050 20 0 EIADLP Cc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000453091608 1031585366 /nfs/dbraw/zinc/58/53/66/1031585366.db2.gz RQMQUOKDAHSMED-INIZCTEOSA-N 2 2 325.481 4.195 20 0 EIADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000449296099 1031604132 /nfs/dbraw/zinc/60/41/32/1031604132.db2.gz XTINKIVAAOABIE-WICCELJUSA-N 2 2 332.454 4.206 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981020 1031646593 /nfs/dbraw/zinc/64/65/93/1031646593.db2.gz NUZQGLZOWSJFGQ-XXTHSBEZSA-N 2 2 349.522 4.174 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981020 1031646605 /nfs/dbraw/zinc/64/66/05/1031646605.db2.gz NUZQGLZOWSJFGQ-XXTHSBEZSA-N 2 2 349.522 4.174 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000449376475 1031670790 /nfs/dbraw/zinc/67/07/90/1031670790.db2.gz LRGMTWVUTGBNLB-INIZCTEOSA-N 2 2 340.433 4.113 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(C)(C)C ZINC000453329044 1031825055 /nfs/dbraw/zinc/82/50/55/1031825055.db2.gz QSZHVMGTAHSYTK-FQEVSTJZSA-N 2 2 345.531 4.024 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000531932702 1031840428 /nfs/dbraw/zinc/84/04/28/1031840428.db2.gz DXLXWQHBPWNESZ-OAQYLSRUSA-N 2 2 344.543 4.399 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560765 1031847776 /nfs/dbraw/zinc/84/77/76/1031847776.db2.gz PJZOJMJFZCUPKJ-SEJPIABJSA-N 2 2 336.479 4.077 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560765 1031847784 /nfs/dbraw/zinc/84/77/84/1031847784.db2.gz PJZOJMJFZCUPKJ-SEJPIABJSA-N 2 2 336.479 4.077 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000531941151 1031853563 /nfs/dbraw/zinc/85/35/63/1031853563.db2.gz SYNXIUQFACCOCY-RXVVDRJESA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000531941151 1031853571 /nfs/dbraw/zinc/85/35/71/1031853571.db2.gz SYNXIUQFACCOCY-RXVVDRJESA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000531951896 1031865828 /nfs/dbraw/zinc/86/58/28/1031865828.db2.gz FOFCDLAOFRDKDN-LVCYWYKZSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000531951896 1031865842 /nfs/dbraw/zinc/86/58/42/1031865842.db2.gz FOFCDLAOFRDKDN-LVCYWYKZSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000531951894 1031866665 /nfs/dbraw/zinc/86/66/65/1031866665.db2.gz FOFCDLAOFRDKDN-DBXWQHBBSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000531951894 1031866668 /nfs/dbraw/zinc/86/66/68/1031866668.db2.gz FOFCDLAOFRDKDN-DBXWQHBBSA-N 2 2 329.532 4.098 20 0 EIADLP COCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C)o1 ZINC000359896151 1031897009 /nfs/dbraw/zinc/89/70/09/1031897009.db2.gz ICBCLRXTJUCAEB-LJQANCHMSA-N 2 2 334.504 4.052 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000459372733 1031977615 /nfs/dbraw/zinc/97/76/15/1031977615.db2.gz ZPMJIVFGQMJYDK-NHYWBVRUSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000459372733 1031977628 /nfs/dbraw/zinc/97/76/28/1031977628.db2.gz ZPMJIVFGQMJYDK-NHYWBVRUSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372733 1031977634 /nfs/dbraw/zinc/97/76/34/1031977634.db2.gz ZPMJIVFGQMJYDK-NHYWBVRUSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372733 1031977642 /nfs/dbraw/zinc/97/76/42/1031977642.db2.gz ZPMJIVFGQMJYDK-NHYWBVRUSA-N 2 2 345.712 4.017 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866453 1033490171 /nfs/dbraw/zinc/49/01/71/1033490171.db2.gz XNIPHBHOTAENEA-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866453 1033490177 /nfs/dbraw/zinc/49/01/77/1033490177.db2.gz XNIPHBHOTAENEA-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866453 1033490184 /nfs/dbraw/zinc/49/01/84/1033490184.db2.gz XNIPHBHOTAENEA-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866453 1033490199 /nfs/dbraw/zinc/49/01/99/1033490199.db2.gz XNIPHBHOTAENEA-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)C(C)(C)C ZINC000236984166 1033874633 /nfs/dbraw/zinc/87/46/33/1033874633.db2.gz SIAYTXFIHHOAJY-CQSZACIVSA-N 2 2 334.476 4.191 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512772673 1033904649 /nfs/dbraw/zinc/90/46/49/1033904649.db2.gz CWTVGMGTGQYLTH-FQEVSTJZSA-N 2 2 347.462 4.465 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512772673 1033904653 /nfs/dbraw/zinc/90/46/53/1033904653.db2.gz CWTVGMGTGQYLTH-FQEVSTJZSA-N 2 2 347.462 4.465 20 0 EIADLP Cc1ccc2ncc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2c1 ZINC000411504726 1033943408 /nfs/dbraw/zinc/94/34/08/1033943408.db2.gz MTGIJIDRBQQBHB-UHFFFAOYSA-N 2 2 348.494 4.432 20 0 EIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000614325959 1034174863 /nfs/dbraw/zinc/17/48/63/1034174863.db2.gz MRHVLGWJUJRXIW-IRXDYDNUSA-N 2 2 344.524 4.004 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000429998708 1034847696 /nfs/dbraw/zinc/84/76/96/1034847696.db2.gz DJPARZOTUGHGMY-UHFFFAOYSA-N 2 2 336.907 4.091 20 0 EIADLP Clc1nccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)sc21 ZINC000894225412 1034926468 /nfs/dbraw/zinc/92/64/68/1034926468.db2.gz KGUINXPSGXGBKR-UHFFFAOYSA-N 2 2 346.887 4.327 20 0 EIADLP C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513473175 1034976992 /nfs/dbraw/zinc/97/69/92/1034976992.db2.gz TXRKDBQTMBQLOS-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513473175 1034977002 /nfs/dbraw/zinc/97/70/02/1034977002.db2.gz TXRKDBQTMBQLOS-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000280290577 1035223929 /nfs/dbraw/zinc/22/39/29/1035223929.db2.gz OEPWQUJTDNFCFH-RUCARUNLSA-N 2 2 341.886 4.240 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000319630073 1035334823 /nfs/dbraw/zinc/33/48/23/1035334823.db2.gz AUSVNNCZHBMXOK-CQSZACIVSA-N 2 2 343.443 4.136 20 0 EIADLP CC(C)COc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761120056 1035733988 /nfs/dbraw/zinc/73/39/88/1035733988.db2.gz RVVMKMXDZWGCQK-UHFFFAOYSA-N 2 2 339.483 4.193 20 0 EIADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323847 1036080817 /nfs/dbraw/zinc/08/08/17/1036080817.db2.gz XYSWYRIIIYWAFW-QUCCMNQESA-N 2 2 337.511 4.278 20 0 EIADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323847 1036080838 /nfs/dbraw/zinc/08/08/38/1036080838.db2.gz XYSWYRIIIYWAFW-QUCCMNQESA-N 2 2 337.511 4.278 20 0 EIADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000571669469 1036110478 /nfs/dbraw/zinc/11/04/78/1036110478.db2.gz NNBBXBCMAVWCFU-DZGCQCFKSA-N 2 2 341.480 4.034 20 0 EIADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000571669472 1036115128 /nfs/dbraw/zinc/11/51/28/1036115128.db2.gz NNBBXBCMAVWCFU-ZFWWWQNUSA-N 2 2 341.480 4.034 20 0 EIADLP c1cn(Cc2ccc(-c3ccc4c(c3)C[NH2+]CC3(CCC3)O4)cc2)c[nH+]1 ZINC000906178926 1036115863 /nfs/dbraw/zinc/11/58/63/1036115863.db2.gz TWSNBXXKUQEVQS-UHFFFAOYSA-N 2 2 345.446 4.003 20 0 EIADLP Brc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000588161149 1036232530 /nfs/dbraw/zinc/23/25/30/1036232530.db2.gz GKOCIBQEFFOMIP-OLZOCXBDSA-N 2 2 346.272 4.036 20 0 EIADLP Brc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000588161149 1036232548 /nfs/dbraw/zinc/23/25/48/1036232548.db2.gz GKOCIBQEFFOMIP-OLZOCXBDSA-N 2 2 346.272 4.036 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CC4(C3)CCCCC4)C2)CC1 ZINC000421405442 1036370351 /nfs/dbraw/zinc/37/03/51/1036370351.db2.gz ZDYVMSJEZBKBOK-UHFFFAOYSA-N 2 2 344.465 4.494 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)oc1C ZINC000502695285 1036509332 /nfs/dbraw/zinc/50/93/32/1036509332.db2.gz DWCBTEDUIZWJQU-KRWDZBQOSA-N 2 2 326.484 4.254 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1Cl ZINC000421827957 1036785573 /nfs/dbraw/zinc/78/55/73/1036785573.db2.gz AGBNYNPTOCJWHR-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1Cl ZINC000421827957 1036785591 /nfs/dbraw/zinc/78/55/91/1036785591.db2.gz AGBNYNPTOCJWHR-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000421830206 1036788244 /nfs/dbraw/zinc/78/82/44/1036788244.db2.gz JQHAXORPECYJHE-ZIAGYGMSSA-N 2 2 333.863 4.082 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829454 1036789193 /nfs/dbraw/zinc/78/91/93/1036789193.db2.gz HYXYFXYFLNOXJZ-XYJFISCASA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829454 1036789208 /nfs/dbraw/zinc/78/92/08/1036789208.db2.gz HYXYFXYFLNOXJZ-XYJFISCASA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2cccnc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000589634835 1036854915 /nfs/dbraw/zinc/85/49/15/1036854915.db2.gz HNIFNTVEXMLCPP-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000589645634 1036858795 /nfs/dbraw/zinc/85/87/95/1036858795.db2.gz DIXOJIULPVVAOP-QHCPKHFHSA-N 2 2 347.506 4.340 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)[N@H+]1CCc2ccccc2C1 ZINC000589645634 1036858798 /nfs/dbraw/zinc/85/87/98/1036858798.db2.gz DIXOJIULPVVAOP-QHCPKHFHSA-N 2 2 347.506 4.340 20 0 EIADLP Clc1sccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000710907979 1036892288 /nfs/dbraw/zinc/89/22/88/1036892288.db2.gz QQWMFBLTBZFNAQ-AEFFLSMTSA-N 2 2 346.927 4.355 20 0 EIADLP Clc1sccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000710907979 1036892290 /nfs/dbraw/zinc/89/22/90/1036892290.db2.gz QQWMFBLTBZFNAQ-AEFFLSMTSA-N 2 2 346.927 4.355 20 0 EIADLP Clc1sccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000710907979 1036892293 /nfs/dbraw/zinc/89/22/93/1036892293.db2.gz QQWMFBLTBZFNAQ-AEFFLSMTSA-N 2 2 346.927 4.355 20 0 EIADLP Clc1sccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000710907979 1036892295 /nfs/dbraw/zinc/89/22/95/1036892295.db2.gz QQWMFBLTBZFNAQ-AEFFLSMTSA-N 2 2 346.927 4.355 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+]C/C=C\c2ccncc2)c2ccccc2)CC1 ZINC000486957905 1036922396 /nfs/dbraw/zinc/92/23/96/1036922396.db2.gz NADDBXILTIEZLN-LXHZQTKUSA-N 2 2 335.495 4.158 20 0 EIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C/C=C\c1ccncc1 ZINC000487283005 1037097993 /nfs/dbraw/zinc/09/79/93/1037097993.db2.gz XJLPMIQZJCEQBK-DYRFGFBLSA-N 2 2 349.522 4.157 20 0 EIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C/C=C\c1ccncc1 ZINC000487283005 1037098016 /nfs/dbraw/zinc/09/80/16/1037098016.db2.gz XJLPMIQZJCEQBK-DYRFGFBLSA-N 2 2 349.522 4.157 20 0 EIADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000273134535 1037365301 /nfs/dbraw/zinc/36/53/01/1037365301.db2.gz CIBLNDOKEWOPBW-SFHVURJKSA-N 2 2 349.478 4.408 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273290087 1037402169 /nfs/dbraw/zinc/40/21/69/1037402169.db2.gz POVKMWHRIPSDAR-FUHWJXTLSA-N 2 2 339.483 4.084 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273290087 1037402177 /nfs/dbraw/zinc/40/21/77/1037402177.db2.gz POVKMWHRIPSDAR-FUHWJXTLSA-N 2 2 339.483 4.084 20 0 EIADLP C[NH+](C)CC[C@H]([NH2+]Cc1cc(Br)ccc1F)C(C)(C)C ZINC000604770815 1037508831 /nfs/dbraw/zinc/50/88/31/1037508831.db2.gz KIHABWSGQGCBAP-HNNXBMFYSA-N 2 2 345.300 4.044 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000605155590 1037697428 /nfs/dbraw/zinc/69/74/28/1037697428.db2.gz VGQKTVBIXDIVCJ-FQEVSTJZSA-N 2 2 335.476 4.162 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCS[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000605155590 1037697433 /nfs/dbraw/zinc/69/74/33/1037697433.db2.gz VGQKTVBIXDIVCJ-FQEVSTJZSA-N 2 2 335.476 4.162 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC000573892743 1037714922 /nfs/dbraw/zinc/71/49/22/1037714922.db2.gz IYJVDFIXAXELIV-YFVAEKQCSA-N 2 2 336.479 4.071 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC000573892743 1037714934 /nfs/dbraw/zinc/71/49/34/1037714934.db2.gz IYJVDFIXAXELIV-YFVAEKQCSA-N 2 2 336.479 4.071 20 0 EIADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405000 1037739290 /nfs/dbraw/zinc/73/92/90/1037739290.db2.gz IQZPGIUDGYFHCS-FQEVSTJZSA-N 2 2 337.511 4.204 20 0 EIADLP CCc1ccccc1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405000 1037739306 /nfs/dbraw/zinc/73/93/06/1037739306.db2.gz IQZPGIUDGYFHCS-FQEVSTJZSA-N 2 2 337.511 4.204 20 0 EIADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422559131 1037756157 /nfs/dbraw/zinc/75/61/57/1037756157.db2.gz CCZQVAZJCBHFIU-DAXSKMNVSA-N 2 2 348.490 4.107 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[NH+]3CCC4(CC[NH2+]4)CC3)s2)cc1 ZINC000422640920 1037780298 /nfs/dbraw/zinc/78/02/98/1037780298.db2.gz WMJXPNMUEDTGHL-UHFFFAOYSA-N 2 2 341.524 4.261 20 0 EIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000503558705 1037818409 /nfs/dbraw/zinc/81/84/09/1037818409.db2.gz WPGZIHZBFCKMKN-LJQANCHMSA-N 2 2 335.426 4.356 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000503575044 1037825798 /nfs/dbraw/zinc/82/57/98/1037825798.db2.gz YRSDPXWAUFPKBY-UHFFFAOYSA-N 2 2 326.440 4.178 20 0 EIADLP CSc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)c(F)c2)c1 ZINC000422784915 1037832663 /nfs/dbraw/zinc/83/26/63/1037832663.db2.gz JBZILCITLNXQHQ-LJQANCHMSA-N 2 2 348.462 4.118 20 0 EIADLP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000422943637 1037873971 /nfs/dbraw/zinc/87/39/71/1037873971.db2.gz YOZYUPTZDLCJJG-XIKOKIGWSA-N 2 2 335.278 4.280 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095972 1037934119 /nfs/dbraw/zinc/93/41/19/1037934119.db2.gz WLAKMMDRFDEFMT-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095972 1037934145 /nfs/dbraw/zinc/93/41/45/1037934145.db2.gz WLAKMMDRFDEFMT-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000574095972 1037934170 /nfs/dbraw/zinc/93/41/70/1037934170.db2.gz WLAKMMDRFDEFMT-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000574095972 1037934188 /nfs/dbraw/zinc/93/41/88/1037934188.db2.gz WLAKMMDRFDEFMT-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP Cc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000423181840 1038035362 /nfs/dbraw/zinc/03/53/62/1038035362.db2.gz DCVJIRHRJYMSTC-QHCPKHFHSA-N 2 2 345.490 4.249 20 0 EIADLP CCCc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000414722293 1038054274 /nfs/dbraw/zinc/05/42/74/1038054274.db2.gz FEKKTZKGCGARJN-IBGZPJMESA-N 2 2 343.540 4.016 20 0 EIADLP CCCc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000414722293 1038054292 /nfs/dbraw/zinc/05/42/92/1038054292.db2.gz FEKKTZKGCGARJN-IBGZPJMESA-N 2 2 343.540 4.016 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC[NH2+]1 ZINC000423387570 1038199572 /nfs/dbraw/zinc/19/95/72/1038199572.db2.gz SLZLGDOIDROTAZ-RBQRDFNRSA-N 2 2 349.453 4.193 20 0 EIADLP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000423452054 1038231266 /nfs/dbraw/zinc/23/12/66/1038231266.db2.gz VVUNIEXZQAVKKR-JKDFXYPNSA-N 2 2 340.364 4.259 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423517036 1038273067 /nfs/dbraw/zinc/27/30/67/1038273067.db2.gz YKRSPHMIFKZCTC-WTOYTKOKSA-N 2 2 338.495 4.006 20 0 EIADLP COc1cccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1 ZINC000606914665 1038307065 /nfs/dbraw/zinc/30/70/65/1038307065.db2.gz UEUMLKJWJFPNMW-SFHVURJKSA-N 2 2 338.495 4.448 20 0 EIADLP [NH3+][C@@H](CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)CC1CCCCC1 ZINC000424152107 1038645270 /nfs/dbraw/zinc/64/52/70/1038645270.db2.gz IHFVEWJQCFQWFW-KRWDZBQOSA-N 2 2 340.471 4.093 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000480777380 1038803611 /nfs/dbraw/zinc/80/36/11/1038803611.db2.gz IGNPQFKHYBJDDE-QGZVFWFLSA-N 2 2 326.484 4.200 20 0 EIADLP Fc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000462093220 1038915411 /nfs/dbraw/zinc/91/54/11/1038915411.db2.gz RFMRHISVSWJVQM-UHFFFAOYSA-N 2 2 341.455 4.148 20 0 EIADLP Fc1ccc(C[N@H+]2CCCN(c3cc[nH+]c4ccsc43)CC2)cc1 ZINC000462093220 1038915446 /nfs/dbraw/zinc/91/54/46/1038915446.db2.gz RFMRHISVSWJVQM-UHFFFAOYSA-N 2 2 341.455 4.148 20 0 EIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000462118899 1038936847 /nfs/dbraw/zinc/93/68/47/1038936847.db2.gz GEFXFVRDFNTKDC-PMACEKPBSA-N 2 2 325.500 4.460 20 0 EIADLP Clc1ccc(C2CCC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC001168334743 1039055177 /nfs/dbraw/zinc/05/51/77/1039055177.db2.gz CNWBBNXJINTMLO-UUKMXZOPSA-N 2 2 332.919 4.440 20 0 EIADLP Clc1ccc(C2CCC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC001168334743 1039055199 /nfs/dbraw/zinc/05/51/99/1039055199.db2.gz CNWBBNXJINTMLO-UUKMXZOPSA-N 2 2 332.919 4.440 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000414820770 1039140382 /nfs/dbraw/zinc/14/03/82/1039140382.db2.gz BARKNQPWYAWQIR-JOCHJYFZSA-N 2 2 337.511 4.068 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514244615 1039805959 /nfs/dbraw/zinc/80/59/59/1039805959.db2.gz LCHCUIUANKJAGX-HUUCEWRRSA-N 2 2 336.907 4.091 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000514244615 1039805964 /nfs/dbraw/zinc/80/59/64/1039805964.db2.gz LCHCUIUANKJAGX-HUUCEWRRSA-N 2 2 336.907 4.091 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551006588 1039868302 /nfs/dbraw/zinc/86/83/02/1039868302.db2.gz YHHBQVOUWWZNHK-QKYXUNIQSA-N 2 2 342.458 4.320 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551006588 1039868305 /nfs/dbraw/zinc/86/83/05/1039868305.db2.gz YHHBQVOUWWZNHK-QKYXUNIQSA-N 2 2 342.458 4.320 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000481987344 1039930802 /nfs/dbraw/zinc/93/08/02/1039930802.db2.gz XEOLNTBCWJADLX-GOSISDBHSA-N 2 2 336.483 4.381 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000481987344 1039930822 /nfs/dbraw/zinc/93/08/22/1039930822.db2.gz XEOLNTBCWJADLX-GOSISDBHSA-N 2 2 336.483 4.381 20 0 EIADLP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435055376 1040032457 /nfs/dbraw/zinc/03/24/57/1040032457.db2.gz HSRBGZOMWURKMO-QGZVFWFLSA-N 2 2 338.382 4.134 20 0 EIADLP CC[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000643498970 1040060131 /nfs/dbraw/zinc/06/01/31/1040060131.db2.gz DGARVSXTCOKVLI-OAQYLSRUSA-N 2 2 337.442 4.053 20 0 EIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000514892802 1040317230 /nfs/dbraw/zinc/31/72/30/1040317230.db2.gz CGCXZLGACKPHLI-SJORKVTESA-N 2 2 331.891 4.167 20 0 EIADLP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487939 1040346862 /nfs/dbraw/zinc/34/68/62/1040346862.db2.gz MIKXVVQYRIQUBK-NRFANRHFSA-N 2 2 348.450 4.003 20 0 EIADLP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487939 1040346877 /nfs/dbraw/zinc/34/68/77/1040346877.db2.gz MIKXVVQYRIQUBK-NRFANRHFSA-N 2 2 348.450 4.003 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000551549907 1040401828 /nfs/dbraw/zinc/40/18/28/1040401828.db2.gz TXOZASVTCZUXTQ-OAHLLOKOSA-N 2 2 325.843 4.382 20 0 EIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000668104701 1040431552 /nfs/dbraw/zinc/43/15/52/1040431552.db2.gz MBAKIMCCSCVCSR-SFHVURJKSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000668104701 1040431558 /nfs/dbraw/zinc/43/15/58/1040431558.db2.gz MBAKIMCCSCVCSR-SFHVURJKSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000479548726 1040453755 /nfs/dbraw/zinc/45/37/55/1040453755.db2.gz XWUGRYLYYDOYGB-QQFBHYJXSA-N 2 2 338.442 4.264 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(C)(C)c1ccccc1)CCC2 ZINC000539496637 1040488581 /nfs/dbraw/zinc/48/85/81/1040488581.db2.gz PVCXJGMEBDMPDN-SJLPKXTDSA-N 2 2 325.500 4.415 20 0 EIADLP Cc1ccc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539658504 1040655474 /nfs/dbraw/zinc/65/54/74/1040655474.db2.gz AOXGSVFCPCAJLU-HKUYNNGSSA-N 2 2 338.499 4.012 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247782 1040782362 /nfs/dbraw/zinc/78/23/62/1040782362.db2.gz YLHPHEHXKIPWDO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247782 1040782378 /nfs/dbraw/zinc/78/23/78/1040782378.db2.gz YLHPHEHXKIPWDO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247782 1040782400 /nfs/dbraw/zinc/78/24/00/1040782400.db2.gz YLHPHEHXKIPWDO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247782 1040782422 /nfs/dbraw/zinc/78/24/22/1040782422.db2.gz YLHPHEHXKIPWDO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc3c(s1)CCCC3)CCC2 ZINC000483438489 1040859255 /nfs/dbraw/zinc/85/92/55/1040859255.db2.gz KMFFZYNQVDHRSY-ZBFHGGJFSA-N 2 2 329.513 4.360 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000483541426 1040887556 /nfs/dbraw/zinc/88/75/56/1040887556.db2.gz GPUBBDICGWFEHK-UHFFFAOYSA-N 2 2 347.462 4.266 20 0 EIADLP CC(C)[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000554225741 1040893822 /nfs/dbraw/zinc/89/38/22/1040893822.db2.gz JHBNSGUDIUZIRZ-PZJWPPBQSA-N 2 2 338.499 4.031 20 0 EIADLP COc1ccc(Cl)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000483697603 1040966177 /nfs/dbraw/zinc/96/61/77/1040966177.db2.gz XNZKGYDOCLFWGE-UHFFFAOYSA-N 2 2 347.890 4.238 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000462802109 1040967839 /nfs/dbraw/zinc/96/78/39/1040967839.db2.gz LYSUGDCBKBKECE-HZPDHXFCSA-N 2 2 336.483 4.025 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000436271040 1041043570 /nfs/dbraw/zinc/04/35/70/1041043570.db2.gz CHAZDNTVIFBZHI-PKTZIBPZSA-N 2 2 345.490 4.432 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000484019779 1041095377 /nfs/dbraw/zinc/09/53/77/1041095377.db2.gz QVKNABKRCGQAAF-INIZCTEOSA-N 2 2 325.378 4.247 20 0 EIADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484490473 1041263894 /nfs/dbraw/zinc/26/38/94/1041263894.db2.gz QPFWXCYCYYFUCS-YJBOKZPZSA-N 2 2 338.586 4.275 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(C)(C)C)cc1 ZINC000463030250 1041268071 /nfs/dbraw/zinc/26/80/71/1041268071.db2.gz RZPAIPGVVRXDKV-MRXNPFEDSA-N 2 2 327.472 4.412 20 0 EIADLP Fc1cccc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)o2)c1F ZINC000480383147 1041268204 /nfs/dbraw/zinc/26/82/04/1041268204.db2.gz BJMCVVHCTROOPX-UHFFFAOYSA-N 2 2 343.377 4.212 20 0 EIADLP FC(F)(F)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000540262757 1041327817 /nfs/dbraw/zinc/32/78/17/1041327817.db2.gz HTOCWACJIJVQEZ-QGZVFWFLSA-N 2 2 337.389 4.423 20 0 EIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2scnc2C)cc1 ZINC000667694967 1041385590 /nfs/dbraw/zinc/38/55/90/1041385590.db2.gz FPEXPMHBSMYWAU-MOPGFXCFSA-N 2 2 341.524 4.177 20 0 EIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2scnc2C)cc1 ZINC000667694967 1041385600 /nfs/dbraw/zinc/38/56/00/1041385600.db2.gz FPEXPMHBSMYWAU-MOPGFXCFSA-N 2 2 341.524 4.177 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2scnc2C)cc1 ZINC000667694967 1041385611 /nfs/dbraw/zinc/38/56/11/1041385611.db2.gz FPEXPMHBSMYWAU-MOPGFXCFSA-N 2 2 341.524 4.177 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2scnc2C)cc1 ZINC000667694967 1041385620 /nfs/dbraw/zinc/38/56/20/1041385620.db2.gz FPEXPMHBSMYWAU-MOPGFXCFSA-N 2 2 341.524 4.177 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516218495 1041457854 /nfs/dbraw/zinc/45/78/54/1041457854.db2.gz CBAVSCOKIOVHRJ-KSFYIVLOSA-N 2 2 349.453 4.484 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000540482434 1041483215 /nfs/dbraw/zinc/48/32/15/1041483215.db2.gz RCWQCCMTDJLSSP-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000540482434 1041483219 /nfs/dbraw/zinc/48/32/19/1041483219.db2.gz RCWQCCMTDJLSSP-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554589 1041539172 /nfs/dbraw/zinc/53/91/72/1041539172.db2.gz QVWHOBURZDICBF-YOEHRIQHSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554589 1041539183 /nfs/dbraw/zinc/53/91/83/1041539183.db2.gz QVWHOBURZDICBF-YOEHRIQHSA-N 2 2 337.389 4.375 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)oc21 ZINC000540594797 1041551278 /nfs/dbraw/zinc/55/12/78/1041551278.db2.gz OVHYTJXCHRIGOJ-HNNXBMFYSA-N 2 2 347.418 4.478 20 0 EIADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000516386449 1041558039 /nfs/dbraw/zinc/55/80/39/1041558039.db2.gz NWHQKKDCKVMGCZ-HXUWFJFHSA-N 2 2 333.435 4.048 20 0 EIADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000138355717 1041585873 /nfs/dbraw/zinc/58/58/73/1041585873.db2.gz AFAWXMWRSKOGEP-HNNXBMFYSA-N 2 2 338.442 4.299 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)CC1 ZINC000516621584 1041677514 /nfs/dbraw/zinc/67/75/14/1041677514.db2.gz RNOJZOGFVPSXBN-YHELAOLJSA-N 2 2 330.516 4.005 20 0 EIADLP COc1ccccc1/C=C/C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000516685608 1041707799 /nfs/dbraw/zinc/70/77/99/1041707799.db2.gz DCCIDVYQBSOKKH-VMPITWQZSA-N 2 2 339.483 4.097 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831845 1042188536 /nfs/dbraw/zinc/18/85/36/1042188536.db2.gz KTHGZARDOMNOJZ-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831845 1042188541 /nfs/dbraw/zinc/18/85/41/1042188541.db2.gz KTHGZARDOMNOJZ-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831845 1042188545 /nfs/dbraw/zinc/18/85/45/1042188545.db2.gz KTHGZARDOMNOJZ-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831845 1042188548 /nfs/dbraw/zinc/18/85/48/1042188548.db2.gz KTHGZARDOMNOJZ-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP COc1cccc(CCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542010437 1042230790 /nfs/dbraw/zinc/23/07/90/1042230790.db2.gz NTSAMVYCNWGDFY-KRWDZBQOSA-N 2 2 335.451 4.164 20 0 EIADLP c1cn(CCCC2CC[NH+](CCOC3CCCCCC3)CC2)c[nH+]1 ZINC000542132883 1042303933 /nfs/dbraw/zinc/30/39/33/1042303933.db2.gz CKBRSZBUIYJNTB-UHFFFAOYSA-N 2 2 333.520 4.115 20 0 EIADLP Fc1ccc(SCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542131266 1042304376 /nfs/dbraw/zinc/30/43/76/1042304376.db2.gz ARTZMTBRHGROOY-UHFFFAOYSA-N 2 2 347.503 4.307 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542311547 1042381731 /nfs/dbraw/zinc/38/17/31/1042381731.db2.gz OMRNVAANGTUAIR-CHWSQXEVSA-N 2 2 343.418 4.392 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294274 1042528177 /nfs/dbraw/zinc/52/81/77/1042528177.db2.gz SVMVVALVJIMJGG-ZOCZFRKYSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294274 1042528182 /nfs/dbraw/zinc/52/81/82/1042528182.db2.gz SVMVVALVJIMJGG-ZOCZFRKYSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000173312478 1042564577 /nfs/dbraw/zinc/56/45/77/1042564577.db2.gz SIEAAYOLVLCNHH-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000426330908 1042567729 /nfs/dbraw/zinc/56/77/29/1042567729.db2.gz OSRQVBYQPFXBIY-YJBOKZPZSA-N 2 2 333.520 4.068 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000177207827 1042830556 /nfs/dbraw/zinc/83/05/56/1042830556.db2.gz JZZMNHGSCIAILO-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000310364078 1042834796 /nfs/dbraw/zinc/83/47/96/1042834796.db2.gz LLDBQDNZTRHRSF-MSOLQXFVSA-N 2 2 335.451 4.201 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367853 1042900919 /nfs/dbraw/zinc/90/09/19/1042900919.db2.gz WBMFYIWTMYBVTO-WMZOPIPTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367853 1042900923 /nfs/dbraw/zinc/90/09/23/1042900923.db2.gz WBMFYIWTMYBVTO-WMZOPIPTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000493367853 1042900926 /nfs/dbraw/zinc/90/09/26/1042900926.db2.gz WBMFYIWTMYBVTO-WMZOPIPTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000493367853 1042900929 /nfs/dbraw/zinc/90/09/29/1042900929.db2.gz WBMFYIWTMYBVTO-WMZOPIPTSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cnccc2Cl)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005482 1042972069 /nfs/dbraw/zinc/97/20/69/1042972069.db2.gz IZJHHMLJGVFSAC-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP Cc1cc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccnc2)ccc1F ZINC000542471558 1043000169 /nfs/dbraw/zinc/00/01/69/1043000169.db2.gz UGYVQWFDLWGSTD-DYXWJJEUSA-N 2 2 341.474 4.081 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743178 1043085438 /nfs/dbraw/zinc/08/54/38/1043085438.db2.gz JOYOKHJDBFDYMH-GOSISDBHSA-N 2 2 332.919 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743178 1043085445 /nfs/dbraw/zinc/08/54/45/1043085445.db2.gz JOYOKHJDBFDYMH-GOSISDBHSA-N 2 2 332.919 4.146 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000765955666 1043086019 /nfs/dbraw/zinc/08/60/19/1043086019.db2.gz AURCJEFOSLJJBE-WWMYMODYSA-N 2 2 329.532 4.136 20 0 EIADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000507830681 1043130270 /nfs/dbraw/zinc/13/02/70/1043130270.db2.gz MUHSYUFGBVCCIT-IBGZPJMESA-N 2 2 334.454 4.339 20 0 EIADLP C[N@H+](Cc1cnc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499536404 1043194348 /nfs/dbraw/zinc/19/43/48/1043194348.db2.gz CGXMKBOIKYHHLX-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1cnc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499536404 1043194372 /nfs/dbraw/zinc/19/43/72/1043194372.db2.gz CGXMKBOIKYHHLX-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3CCC[C@@H](C)C3)CCCC2)no1 ZINC000507951955 1043206913 /nfs/dbraw/zinc/20/69/13/1043206913.db2.gz QWHQHTNFAJVAFA-IAGOWNOFSA-N 2 2 348.535 4.097 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427840563 1043222118 /nfs/dbraw/zinc/22/21/18/1043222118.db2.gz GTQBTCPDWSGDJR-DOTOQJQBSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427840563 1043222128 /nfs/dbraw/zinc/22/21/28/1043222128.db2.gz GTQBTCPDWSGDJR-DOTOQJQBSA-N 2 2 328.422 4.362 20 0 EIADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000508035819 1043236646 /nfs/dbraw/zinc/23/66/46/1043236646.db2.gz BDJQRTXGNJRLOP-UHFFFAOYSA-N 2 2 330.516 4.172 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCCC1 ZINC000766188899 1043239275 /nfs/dbraw/zinc/23/92/75/1043239275.db2.gz CNIOALDKRCILKA-KRWDZBQOSA-N 2 2 329.532 4.280 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1)CC2 ZINC000427868508 1043240686 /nfs/dbraw/zinc/24/06/86/1043240686.db2.gz QQMMUZCNJXEFRC-NHCUHLMSSA-N 2 2 331.463 4.162 20 0 EIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427883366 1043249050 /nfs/dbraw/zinc/24/90/50/1043249050.db2.gz CDCTWAYOBAAHTA-DOTOQJQBSA-N 2 2 337.389 4.204 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000428047504 1043306757 /nfs/dbraw/zinc/30/67/57/1043306757.db2.gz YVYGBMIZZSKGNX-IEBWSBKVSA-N 2 2 341.524 4.117 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000428047504 1043306761 /nfs/dbraw/zinc/30/67/61/1043306761.db2.gz YVYGBMIZZSKGNX-IEBWSBKVSA-N 2 2 341.524 4.117 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1ccsc1 ZINC000665259508 1043382146 /nfs/dbraw/zinc/38/21/46/1043382146.db2.gz HSLIJYROLJMBQO-KBAYOESNSA-N 2 2 348.487 4.082 20 0 EIADLP CCCC[N@H+](C)CCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012146 1043415755 /nfs/dbraw/zinc/41/57/55/1043415755.db2.gz WWWWPYMMZRNMTK-WOJBJXKFSA-N 3 2 345.575 4.140 20 0 EIADLP CCCC[N@@H+](C)CCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012146 1043415762 /nfs/dbraw/zinc/41/57/62/1043415762.db2.gz WWWWPYMMZRNMTK-WOJBJXKFSA-N 3 2 345.575 4.140 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000895151562 1043504434 /nfs/dbraw/zinc/50/44/34/1043504434.db2.gz LTGMIRWWVBETLE-WMLDXEAASA-N 2 2 347.915 4.254 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000895151562 1043504446 /nfs/dbraw/zinc/50/44/46/1043504446.db2.gz LTGMIRWWVBETLE-WMLDXEAASA-N 2 2 347.915 4.254 20 0 EIADLP FC(F)Oc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543060181 1043702562 /nfs/dbraw/zinc/70/25/62/1043702562.db2.gz AMERTLNRYALQQA-UHFFFAOYSA-N 2 2 349.425 4.177 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061675 1043704103 /nfs/dbraw/zinc/70/41/03/1043704103.db2.gz MGQJTQTZNRJOIL-HNNXBMFYSA-N 2 2 333.426 4.415 20 0 EIADLP FC(F)C1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000442789071 1043839828 /nfs/dbraw/zinc/83/98/28/1043839828.db2.gz DFPPOZLXJSBOFI-UHFFFAOYSA-N 2 2 346.531 4.152 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000442850552 1043857761 /nfs/dbraw/zinc/85/77/61/1043857761.db2.gz IOQRPEOOWSZPCT-ACBHZAAOSA-N 2 2 336.470 4.311 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000442850552 1043857763 /nfs/dbraw/zinc/85/77/63/1043857763.db2.gz IOQRPEOOWSZPCT-ACBHZAAOSA-N 2 2 336.470 4.311 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000282522562 1043861439 /nfs/dbraw/zinc/86/14/39/1043861439.db2.gz PRAWIGGERCUOQT-INIZCTEOSA-N 2 2 349.931 4.187 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000282522562 1043861441 /nfs/dbraw/zinc/86/14/41/1043861441.db2.gz PRAWIGGERCUOQT-INIZCTEOSA-N 2 2 349.931 4.187 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000442855452 1043875939 /nfs/dbraw/zinc/87/59/39/1043875939.db2.gz QAIOUDWWEDBPBA-PVAVHDDUSA-N 2 2 349.400 4.143 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191047251 1043921591 /nfs/dbraw/zinc/92/15/91/1043921591.db2.gz LVKPMOWFSQTLIT-UHFFFAOYSA-N 2 2 326.406 4.074 20 0 EIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000193275981 1044031814 /nfs/dbraw/zinc/03/18/14/1044031814.db2.gz ANPVCJBAPIHLOF-IBGZPJMESA-N 2 2 341.842 4.003 20 0 EIADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COCc4ccccc43)CC[N@H+]2C2CC2)cc1 ZINC000639271657 1044251814 /nfs/dbraw/zinc/25/18/14/1044251814.db2.gz PBBXWXVAYKQPAY-VJBMBRPKSA-N 2 2 348.490 4.216 20 0 EIADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COCc4ccccc43)CC[N@@H+]2C2CC2)cc1 ZINC000639271657 1044251826 /nfs/dbraw/zinc/25/18/26/1044251826.db2.gz PBBXWXVAYKQPAY-VJBMBRPKSA-N 2 2 348.490 4.216 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319741 1044307769 /nfs/dbraw/zinc/30/77/69/1044307769.db2.gz HPZXZWLMOSJRDP-WMZOPIPTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319741 1044307778 /nfs/dbraw/zinc/30/77/78/1044307778.db2.gz HPZXZWLMOSJRDP-WMZOPIPTSA-N 2 2 341.524 4.096 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168019175 1044341875 /nfs/dbraw/zinc/34/18/75/1044341875.db2.gz HBHMNHVXODWJMH-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168019175 1044341889 /nfs/dbraw/zinc/34/18/89/1044341889.db2.gz HBHMNHVXODWJMH-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348014075 1044362652 /nfs/dbraw/zinc/36/26/52/1044362652.db2.gz WJXMCZVRUMQSRY-XYJFISCASA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348014075 1044362665 /nfs/dbraw/zinc/36/26/65/1044362665.db2.gz WJXMCZVRUMQSRY-XYJFISCASA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348014071 1044363624 /nfs/dbraw/zinc/36/36/24/1044363624.db2.gz WJXMCZVRUMQSRY-RYRKJORJSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348014071 1044363637 /nfs/dbraw/zinc/36/36/37/1044363637.db2.gz WJXMCZVRUMQSRY-RYRKJORJSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1)CCC2 ZINC000348085157 1044391041 /nfs/dbraw/zinc/39/10/41/1044391041.db2.gz MISDYHRFXKOIAV-HIFRSBDPSA-N 2 2 348.288 4.182 20 0 EIADLP CC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543408214 1044535999 /nfs/dbraw/zinc/53/59/99/1044535999.db2.gz AHAOAROCHRQPQL-OAQYLSRUSA-N 2 2 341.474 4.022 20 0 EIADLP Cc1nc(C)c([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675920381 1044560074 /nfs/dbraw/zinc/56/00/74/1044560074.db2.gz KDPPVZHITUHCAG-WMLDXEAASA-N 2 2 340.496 4.128 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OC)c1 ZINC000675919894 1044564071 /nfs/dbraw/zinc/56/40/71/1044564071.db2.gz JKKWRZJRFQKKBP-SFTDATJTSA-N 2 2 349.478 4.453 20 0 EIADLP FC(F)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001143252049 1044621599 /nfs/dbraw/zinc/62/15/99/1044621599.db2.gz MMSATBXPSCXPSP-UHFFFAOYSA-N 2 2 326.406 4.023 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC001168485475 1044875797 /nfs/dbraw/zinc/87/57/97/1044875797.db2.gz GAMFGWMESOSCKU-SIKLNZKXSA-N 2 2 347.462 4.130 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1)CCC2 ZINC000544567692 1044925195 /nfs/dbraw/zinc/92/51/95/1044925195.db2.gz GWMJRCYLQAJSGP-PKOBYXMFSA-N 2 2 327.472 4.491 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3cccc4cccc2c43)s1 ZINC000895933583 1044996751 /nfs/dbraw/zinc/99/67/51/1044996751.db2.gz FMLFWJGHFNYHJE-GOSISDBHSA-N 2 2 337.492 4.135 20 0 EIADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000766259415 1045251453 /nfs/dbraw/zinc/25/14/53/1045251453.db2.gz YLSAAUYOGXAUSR-TUKIKUTGSA-N 2 2 343.298 4.137 20 0 EIADLP C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000611367598 1045288369 /nfs/dbraw/zinc/28/83/69/1045288369.db2.gz LPVOHNQZPCHEFQ-MRXNPFEDSA-N 2 2 343.471 4.035 20 0 EIADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)c[nH+]1 ZINC000236576360 1045359612 /nfs/dbraw/zinc/35/96/12/1045359612.db2.gz ROGQBCGSJNPOPY-UHFFFAOYSA-N 2 2 343.430 4.481 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1Cl ZINC000237809015 1045395782 /nfs/dbraw/zinc/39/57/82/1045395782.db2.gz ASOCLVPZDXZVLO-UHFFFAOYSA-N 2 2 336.222 4.240 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000316788060 1045455458 /nfs/dbraw/zinc/45/54/58/1045455458.db2.gz HCVUZDYOVODJGP-AWEZNQCLSA-N 2 2 333.888 4.042 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247166801 1045842948 /nfs/dbraw/zinc/84/29/48/1045842948.db2.gz UKZQYXUZPKLBIO-IIMJZQEZSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247166801 1045842950 /nfs/dbraw/zinc/84/29/50/1045842950.db2.gz UKZQYXUZPKLBIO-IIMJZQEZSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247166814 1045843494 /nfs/dbraw/zinc/84/34/94/1045843494.db2.gz UKZQYXUZPKLBIO-PTSWNOGYSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247166814 1045843498 /nfs/dbraw/zinc/84/34/98/1045843498.db2.gz UKZQYXUZPKLBIO-PTSWNOGYSA-N 2 2 343.540 4.321 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000248044520 1045860274 /nfs/dbraw/zinc/86/02/74/1045860274.db2.gz UNCZHDWWFJOVPK-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000248044520 1045860281 /nfs/dbraw/zinc/86/02/81/1045860281.db2.gz UNCZHDWWFJOVPK-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249371491 1045894858 /nfs/dbraw/zinc/89/48/58/1045894858.db2.gz NIYCUVXXUYJCJW-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249371491 1045894868 /nfs/dbraw/zinc/89/48/68/1045894868.db2.gz NIYCUVXXUYJCJW-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384117 1045941983 /nfs/dbraw/zinc/94/19/83/1045941983.db2.gz LCRUFSANKXYWCA-HRAATJIYSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384117 1045942001 /nfs/dbraw/zinc/94/20/01/1045942001.db2.gz LCRUFSANKXYWCA-HRAATJIYSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384117 1045941992 /nfs/dbraw/zinc/94/19/92/1045941992.db2.gz LCRUFSANKXYWCA-HRAATJIYSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384117 1045942005 /nfs/dbraw/zinc/94/20/05/1045942005.db2.gz LCRUFSANKXYWCA-HRAATJIYSA-N 2 2 326.484 4.381 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001170275312 1045966778 /nfs/dbraw/zinc/96/67/78/1045966778.db2.gz FMADYKGYDOIWIY-HNNXBMFYSA-N 2 2 330.859 4.209 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000769870645 1046099323 /nfs/dbraw/zinc/09/93/23/1046099323.db2.gz BEIFSFCXPWJEGU-LBPRGKRZSA-N 2 2 342.418 4.029 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000769878839 1046104546 /nfs/dbraw/zinc/10/45/46/1046104546.db2.gz YPCJAWCUDQGALK-HOTGVXAUSA-N 2 2 341.499 4.422 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000747100091 1046132159 /nfs/dbraw/zinc/13/21/59/1046132159.db2.gz QQHSBELGAFPSAW-DLBZAZTESA-N 2 2 335.451 4.163 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000747100093 1046133201 /nfs/dbraw/zinc/13/32/01/1046133201.db2.gz QQHSBELGAFPSAW-IRXDYDNUSA-N 2 2 335.451 4.163 20 0 EIADLP COc1cccc2c(NC3CC(C)(C)[NH+](C)C(C)(C)C3)cc[nH+]c12 ZINC001170452052 1046541019 /nfs/dbraw/zinc/54/10/19/1046541019.db2.gz UXHYFUMFOQSHNT-UHFFFAOYSA-N 2 2 327.472 4.307 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660617 1046622237 /nfs/dbraw/zinc/62/22/37/1046622237.db2.gz DUIXFDQMKJFQFW-SWLSCSKDSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660617 1046622244 /nfs/dbraw/zinc/62/22/44/1046622244.db2.gz DUIXFDQMKJFQFW-SWLSCSKDSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660617 1046622252 /nfs/dbraw/zinc/62/22/52/1046622252.db2.gz DUIXFDQMKJFQFW-SWLSCSKDSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660617 1046622268 /nfs/dbraw/zinc/62/22/68/1046622268.db2.gz DUIXFDQMKJFQFW-SWLSCSKDSA-N 2 2 346.849 4.246 20 0 EIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660450 1046623660 /nfs/dbraw/zinc/62/36/60/1046623660.db2.gz JLHURVKJVFWVNR-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660450 1046623677 /nfs/dbraw/zinc/62/36/77/1046623677.db2.gz JLHURVKJVFWVNR-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660450 1046623687 /nfs/dbraw/zinc/62/36/87/1046623687.db2.gz JLHURVKJVFWVNR-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660450 1046623695 /nfs/dbraw/zinc/62/36/95/1046623695.db2.gz JLHURVKJVFWVNR-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658657 1046625002 /nfs/dbraw/zinc/62/50/02/1046625002.db2.gz PMXMAAFICKTECU-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658657 1046625018 /nfs/dbraw/zinc/62/50/18/1046625018.db2.gz PMXMAAFICKTECU-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658657 1046625030 /nfs/dbraw/zinc/62/50/30/1046625030.db2.gz PMXMAAFICKTECU-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658657 1046625050 /nfs/dbraw/zinc/62/50/50/1046625050.db2.gz PMXMAAFICKTECU-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP c1ccc(OC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459437231 1046651116 /nfs/dbraw/zinc/65/11/16/1046651116.db2.gz XSHGAVFELGBBKG-QFIPXVFZSA-N 2 2 336.479 4.023 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379624358 1046714224 /nfs/dbraw/zinc/71/42/24/1046714224.db2.gz JPDRXTPSILBZSN-KXBFYZLASA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379624358 1046714240 /nfs/dbraw/zinc/71/42/40/1046714240.db2.gz JPDRXTPSILBZSN-KXBFYZLASA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643281 1046738779 /nfs/dbraw/zinc/73/87/79/1046738779.db2.gz FTIFXURXPROHPN-YVWKXTFCSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643281 1046738790 /nfs/dbraw/zinc/73/87/90/1046738790.db2.gz FTIFXURXPROHPN-YVWKXTFCSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379652913 1046746928 /nfs/dbraw/zinc/74/69/28/1046746928.db2.gz YJEBSOYWXWRQHP-RXVVDRJESA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379652913 1046746943 /nfs/dbraw/zinc/74/69/43/1046746943.db2.gz YJEBSOYWXWRQHP-RXVVDRJESA-N 2 2 345.490 4.378 20 0 EIADLP COc1ccc2c(NCc3ccccc3-n3cc[nH+]c3)cc[nH+]c2c1 ZINC000785838078 1046757540 /nfs/dbraw/zinc/75/75/40/1046757540.db2.gz VOTHXYTWHHDWTN-UHFFFAOYSA-N 2 2 330.391 4.041 20 0 EIADLP C[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536828059 1046800940 /nfs/dbraw/zinc/80/09/40/1046800940.db2.gz TYNSKQWVKPGIJO-OAHLLOKOSA-N 2 2 341.842 4.255 20 0 EIADLP CCc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C(C)C)cc1 ZINC000536962469 1046870880 /nfs/dbraw/zinc/87/08/80/1046870880.db2.gz QEBPLQYZOHTVJP-NRFANRHFSA-N 2 2 325.500 4.311 20 0 EIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000537017718 1046888022 /nfs/dbraw/zinc/88/80/22/1046888022.db2.gz MNICZGSXETVWGE-UHFFFAOYSA-N 2 2 327.472 4.117 20 0 EIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000537017718 1046888031 /nfs/dbraw/zinc/88/80/31/1046888031.db2.gz MNICZGSXETVWGE-UHFFFAOYSA-N 2 2 327.472 4.117 20 0 EIADLP CC(C)[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(F)cc1 ZINC001170066242 1046890002 /nfs/dbraw/zinc/89/00/02/1046890002.db2.gz IKVLBRNFFUHUJU-CTNGQTDRSA-N 2 2 341.474 4.168 20 0 EIADLP CC(C)[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(F)cc1 ZINC001170066242 1046890006 /nfs/dbraw/zinc/89/00/06/1046890006.db2.gz IKVLBRNFFUHUJU-CTNGQTDRSA-N 2 2 341.474 4.168 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CCC2 ZINC000537013259 1046895689 /nfs/dbraw/zinc/89/56/89/1046895689.db2.gz XBKBFDRFQBDJJN-WMZOPIPTSA-N 2 2 329.875 4.463 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000537455167 1047244868 /nfs/dbraw/zinc/24/48/68/1047244868.db2.gz CYBYAHCMJJPDKA-IEBWSBKVSA-N 2 2 338.499 4.012 20 0 EIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788963130 1047335569 /nfs/dbraw/zinc/33/55/69/1047335569.db2.gz FALSYRGRZZRAFG-UHFFFAOYSA-N 2 2 325.843 4.378 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129263283 1047341897 /nfs/dbraw/zinc/34/18/97/1047341897.db2.gz OHZRMTVVNBXKQD-IAGOWNOFSA-N 2 2 337.389 4.142 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550681083 1047814023 /nfs/dbraw/zinc/81/40/23/1047814023.db2.gz UCEXDJJRBNXPSP-SFTDATJTSA-N 2 2 338.495 4.319 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550681083 1047814025 /nfs/dbraw/zinc/81/40/25/1047814025.db2.gz UCEXDJJRBNXPSP-SFTDATJTSA-N 2 2 338.495 4.319 20 0 EIADLP C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000556603955 1047836423 /nfs/dbraw/zinc/83/64/23/1047836423.db2.gz QMYQXRGSMNKKFP-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000556603955 1047836424 /nfs/dbraw/zinc/83/64/24/1047836424.db2.gz QMYQXRGSMNKKFP-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP C[NH+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000556603955 1047836425 /nfs/dbraw/zinc/83/64/25/1047836425.db2.gz QMYQXRGSMNKKFP-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP C[NH+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000556603955 1047836426 /nfs/dbraw/zinc/83/64/26/1047836426.db2.gz QMYQXRGSMNKKFP-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000814290344 1047941575 /nfs/dbraw/zinc/94/15/75/1047941575.db2.gz GSMKMXYGLVILEM-KZFLWGQDSA-N 2 2 341.499 4.137 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171073487 1048028084 /nfs/dbraw/zinc/02/80/84/1048028084.db2.gz FXLACYIHQHFTCT-HNNXBMFYSA-N 2 2 346.261 4.288 20 0 EIADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143352683 1048112888 /nfs/dbraw/zinc/11/28/88/1048112888.db2.gz WSAXMLLTCLYSAP-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143352683 1048112896 /nfs/dbraw/zinc/11/28/96/1048112896.db2.gz WSAXMLLTCLYSAP-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000499067672 1048144985 /nfs/dbraw/zinc/14/49/85/1048144985.db2.gz CRLTXBPQZPUVLN-LJQANCHMSA-N 2 2 343.833 4.397 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000499067672 1048144999 /nfs/dbraw/zinc/14/49/99/1048144999.db2.gz CRLTXBPQZPUVLN-LJQANCHMSA-N 2 2 343.833 4.397 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132693 1048390825 /nfs/dbraw/zinc/39/08/25/1048390825.db2.gz FWSBAXZXGNFVGJ-OALUTQOASA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132693 1048390837 /nfs/dbraw/zinc/39/08/37/1048390837.db2.gz FWSBAXZXGNFVGJ-OALUTQOASA-N 2 2 342.870 4.054 20 0 EIADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144118819 1048431060 /nfs/dbraw/zinc/43/10/60/1048431060.db2.gz LUSSUJSMWOTHFK-UHFFFAOYSA-N 2 2 338.495 4.187 20 0 EIADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144118819 1048431066 /nfs/dbraw/zinc/43/10/66/1048431066.db2.gz LUSSUJSMWOTHFK-UHFFFAOYSA-N 2 2 338.495 4.187 20 0 EIADLP C[C@@H](c1cccc(O)c1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285041 1049001929 /nfs/dbraw/zinc/00/19/29/1049001929.db2.gz KGOPSKKHCIHPEQ-IRXDYDNUSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@@H](c1cccc(O)c1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285041 1049001943 /nfs/dbraw/zinc/00/19/43/1049001943.db2.gz KGOPSKKHCIHPEQ-IRXDYDNUSA-N 2 2 342.483 4.174 20 0 EIADLP Cc1ccc2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)ccc2n1 ZINC000348183869 1049476843 /nfs/dbraw/zinc/47/68/43/1049476843.db2.gz DWXCZNXNBWEBTF-UHFFFAOYSA-N 2 2 342.446 4.078 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962619 1049825648 /nfs/dbraw/zinc/82/56/48/1049825648.db2.gz CGXCOJPUNHNCOU-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962619 1049825651 /nfs/dbraw/zinc/82/56/51/1049825651.db2.gz CGXCOJPUNHNCOU-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC001171971467 1049834304 /nfs/dbraw/zinc/83/43/04/1049834304.db2.gz IMDCZAJEKQJYST-UXHICEINSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC001171971467 1049834306 /nfs/dbraw/zinc/83/43/06/1049834306.db2.gz IMDCZAJEKQJYST-UXHICEINSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001171970964 1049835195 /nfs/dbraw/zinc/83/51/95/1049835195.db2.gz GSUTYKIIUMPEJB-GOSISDBHSA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC001171970964 1049835197 /nfs/dbraw/zinc/83/51/97/1049835197.db2.gz GSUTYKIIUMPEJB-GOSISDBHSA-N 2 2 344.449 4.498 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001171973497 1049835725 /nfs/dbraw/zinc/83/57/25/1049835725.db2.gz JOYOUMCWPSLWIA-CQSZACIVSA-N 2 2 337.389 4.170 20 0 EIADLP CC[N@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171973614 1049835783 /nfs/dbraw/zinc/83/57/83/1049835783.db2.gz LKCJUWOLSUSBFF-AWEZNQCLSA-N 2 2 328.422 4.053 20 0 EIADLP CC[N@@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171973614 1049835786 /nfs/dbraw/zinc/83/57/86/1049835786.db2.gz LKCJUWOLSUSBFF-AWEZNQCLSA-N 2 2 328.422 4.053 20 0 EIADLP CC[N@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171973615 1049836215 /nfs/dbraw/zinc/83/62/15/1049836215.db2.gz LKCJUWOLSUSBFF-CQSZACIVSA-N 2 2 328.422 4.053 20 0 EIADLP CC[N@@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171973615 1049836217 /nfs/dbraw/zinc/83/62/17/1049836217.db2.gz LKCJUWOLSUSBFF-CQSZACIVSA-N 2 2 328.422 4.053 20 0 EIADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171981427 1049838397 /nfs/dbraw/zinc/83/83/97/1049838397.db2.gz LNWRZAYSRPWEPB-OTWHNJEPSA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171981427 1049838400 /nfs/dbraw/zinc/83/84/00/1049838400.db2.gz LNWRZAYSRPWEPB-OTWHNJEPSA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH+]1Cc1ccccc1 ZINC001171981427 1049838404 /nfs/dbraw/zinc/83/84/04/1049838404.db2.gz LNWRZAYSRPWEPB-OTWHNJEPSA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH+]1Cc1ccccc1 ZINC001171981427 1049838407 /nfs/dbraw/zinc/83/84/07/1049838407.db2.gz LNWRZAYSRPWEPB-OTWHNJEPSA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@H]([NH+]2CCC3(CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987924 1049841507 /nfs/dbraw/zinc/84/15/07/1049841507.db2.gz MDKCVLFDSFLTAF-HXUWFJFHSA-N 2 2 342.527 4.075 20 0 EIADLP CC1(C)C[C@H]([NH+]2CCC3(CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987924 1049841508 /nfs/dbraw/zinc/84/15/08/1049841508.db2.gz MDKCVLFDSFLTAF-HXUWFJFHSA-N 2 2 342.527 4.075 20 0 EIADLP c1cc2c(o1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172081315 1049847953 /nfs/dbraw/zinc/84/79/53/1049847953.db2.gz FERKYOBUOFAEEA-AERCQKQUSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172081315 1049847957 /nfs/dbraw/zinc/84/79/57/1049847957.db2.gz FERKYOBUOFAEEA-AERCQKQUSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172081315 1049847959 /nfs/dbraw/zinc/84/79/59/1049847959.db2.gz FERKYOBUOFAEEA-AERCQKQUSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172081315 1049847963 /nfs/dbraw/zinc/84/79/63/1049847963.db2.gz FERKYOBUOFAEEA-AERCQKQUSA-N 2 2 336.479 4.223 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC001172111172 1049858586 /nfs/dbraw/zinc/85/85/86/1049858586.db2.gz SVAIAQMDDSASDG-VBUUOAMHSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC001172111172 1049858589 /nfs/dbraw/zinc/85/85/89/1049858589.db2.gz SVAIAQMDDSASDG-VBUUOAMHSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC001172111173 1049859083 /nfs/dbraw/zinc/85/90/83/1049859083.db2.gz SVAIAQMDDSASDG-XGWQRUHWSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC001172111173 1049859085 /nfs/dbraw/zinc/85/90/85/1049859085.db2.gz SVAIAQMDDSASDG-XGWQRUHWSA-N 2 2 345.487 4.054 20 0 EIADLP Clc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171033590 1049882110 /nfs/dbraw/zinc/88/21/10/1049882110.db2.gz OFOAFUFYRNPRFO-SFHVURJKSA-N 2 2 332.919 4.148 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172578499 1049952116 /nfs/dbraw/zinc/95/21/16/1049952116.db2.gz QCEHHDQBEZUBPE-CYBMUJFWSA-N 2 2 344.877 4.355 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172578499 1049952123 /nfs/dbraw/zinc/95/21/23/1049952123.db2.gz QCEHHDQBEZUBPE-CYBMUJFWSA-N 2 2 344.877 4.355 20 0 EIADLP c1ccc(N2CCC(C[NH2+]C3CCC4(CCCC4)CC3)CC2)[nH+]c1 ZINC001172724524 1049965856 /nfs/dbraw/zinc/96/58/56/1049965856.db2.gz UGFIOAIDBWNUMA-UHFFFAOYSA-N 2 2 327.516 4.391 20 0 EIADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000181390503 1050115330 /nfs/dbraw/zinc/11/53/30/1050115330.db2.gz XQTBGMZJDPZFDW-UHFFFAOYSA-N 2 2 325.500 4.225 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172845973 1050184694 /nfs/dbraw/zinc/18/46/94/1050184694.db2.gz QNOUVHRPZZDDGQ-CQSZACIVSA-N 2 2 343.833 4.386 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870990 1050208954 /nfs/dbraw/zinc/20/89/54/1050208954.db2.gz GKEXYULAYWULSX-YOEHRIQHSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870990 1050208965 /nfs/dbraw/zinc/20/89/65/1050208965.db2.gz GKEXYULAYWULSX-YOEHRIQHSA-N 2 2 348.849 4.267 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(F)cccc1Cl ZINC000774980288 1050247572 /nfs/dbraw/zinc/24/75/72/1050247572.db2.gz XTVJFTPANCQKNE-QGZVFWFLSA-N 2 2 337.870 4.313 20 0 EIADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000091287860 1050251319 /nfs/dbraw/zinc/25/13/19/1050251319.db2.gz FEXVUERQWWMJIH-JOCHJYFZSA-N 2 2 338.495 4.006 20 0 EIADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C(C)(C)C ZINC001177566680 1050255467 /nfs/dbraw/zinc/25/54/67/1050255467.db2.gz ZGWODVXWJDLTDB-UHFFFAOYSA-N 2 2 349.478 4.468 20 0 EIADLP CCO[C@@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943696 1050343087 /nfs/dbraw/zinc/34/30/87/1050343087.db2.gz TXVHBDGLTWCIHF-PMACEKPBSA-N 2 2 332.532 4.080 20 0 EIADLP CCO[C@@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943696 1050343100 /nfs/dbraw/zinc/34/31/00/1050343100.db2.gz TXVHBDGLTWCIHF-PMACEKPBSA-N 2 2 332.532 4.080 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173263766 1050387193 /nfs/dbraw/zinc/38/71/93/1050387193.db2.gz WWFWKXPTDRBYPD-SFHVURJKSA-N 2 2 348.579 4.489 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173263766 1050387199 /nfs/dbraw/zinc/38/71/99/1050387199.db2.gz WWFWKXPTDRBYPD-SFHVURJKSA-N 2 2 348.579 4.489 20 0 EIADLP CC[C@@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C1 ZINC001173297826 1050399876 /nfs/dbraw/zinc/39/98/76/1050399876.db2.gz ZTJMOLFDUGGFQB-DOMZBBRYSA-N 2 2 348.288 4.075 20 0 EIADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC001178276627 1050426011 /nfs/dbraw/zinc/42/60/11/1050426011.db2.gz ZSWIEDARBGWGCH-OAQYLSRUSA-N 2 2 335.451 4.040 20 0 EIADLP CCSC[C@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001173315766 1050440027 /nfs/dbraw/zinc/44/00/27/1050440027.db2.gz RYTUJPPLASEJJE-LFAQGZIKSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001173315766 1050440034 /nfs/dbraw/zinc/44/00/34/1050440034.db2.gz RYTUJPPLASEJJE-LFAQGZIKSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001173315766 1050440037 /nfs/dbraw/zinc/44/00/37/1050440037.db2.gz RYTUJPPLASEJJE-LFAQGZIKSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001173315766 1050440041 /nfs/dbraw/zinc/44/00/41/1050440041.db2.gz RYTUJPPLASEJJE-LFAQGZIKSA-N 2 2 334.573 4.023 20 0 EIADLP C[C@H]1CCc2nc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)sc2C1 ZINC001178528807 1050493367 /nfs/dbraw/zinc/49/33/67/1050493367.db2.gz QHCJZPSUSIRBJY-INIZCTEOSA-N 2 2 349.588 4.402 20 0 EIADLP Cc1cccc2cc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c(Cl)nc12 ZINC001178615173 1050516952 /nfs/dbraw/zinc/51/69/52/1050516952.db2.gz SKQRLKJCMYTUIZ-UHFFFAOYSA-N 2 2 345.918 4.408 20 0 EIADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCC1 ZINC001178713572 1050536822 /nfs/dbraw/zinc/53/68/22/1050536822.db2.gz VBQIJVATQSTZEP-OAQYLSRUSA-N 2 2 329.532 4.280 20 0 EIADLP c1cn(C2CCC3(CCc4ccccc43)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001173689902 1050543159 /nfs/dbraw/zinc/54/31/59/1050543159.db2.gz MTXIHEPUUVBPIN-PGFLUOATSA-N 2 2 335.495 4.349 20 0 EIADLP CC(C)c1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336762 1050570129 /nfs/dbraw/zinc/57/01/29/1050570129.db2.gz LKDKDBPPWJBMKY-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336762 1050570135 /nfs/dbraw/zinc/57/01/35/1050570135.db2.gz LKDKDBPPWJBMKY-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093336762 1050570142 /nfs/dbraw/zinc/57/01/42/1050570142.db2.gz LKDKDBPPWJBMKY-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093336762 1050570160 /nfs/dbraw/zinc/57/01/60/1050570160.db2.gz LKDKDBPPWJBMKY-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC001178949645 1050594554 /nfs/dbraw/zinc/59/45/54/1050594554.db2.gz ICELTQKPKCMYTJ-PGRDOPGGSA-N 2 2 341.543 4.137 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC001178949646 1050595051 /nfs/dbraw/zinc/59/50/51/1050595051.db2.gz ICELTQKPKCMYTJ-XMSQKQJNSA-N 2 2 341.543 4.137 20 0 EIADLP c1cc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)cs1 ZINC000093563890 1050633847 /nfs/dbraw/zinc/63/38/47/1050633847.db2.gz BYCKRADYOLZUIJ-MRXNPFEDSA-N 2 2 347.553 4.322 20 0 EIADLP c1cc(-c2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)cs1 ZINC000093563890 1050633861 /nfs/dbraw/zinc/63/38/61/1050633861.db2.gz BYCKRADYOLZUIJ-MRXNPFEDSA-N 2 2 347.553 4.322 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000446840010 1050668006 /nfs/dbraw/zinc/66/80/06/1050668006.db2.gz DAGMLIZANRECKI-MRXNPFEDSA-N 2 2 337.423 4.185 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000446840010 1050668019 /nfs/dbraw/zinc/66/80/19/1050668019.db2.gz DAGMLIZANRECKI-MRXNPFEDSA-N 2 2 337.423 4.185 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000152754398 1050842833 /nfs/dbraw/zinc/84/28/33/1050842833.db2.gz MFIAXIWZGBYNQN-LBPRGKRZSA-N 2 2 338.282 4.420 20 0 EIADLP c1c(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000152752514 1050843366 /nfs/dbraw/zinc/84/33/66/1050843366.db2.gz XNDQEAQJGCHYII-JOCHJYFZSA-N 2 2 345.490 4.336 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001203149985 1050855533 /nfs/dbraw/zinc/85/55/33/1050855533.db2.gz YCUSYYDNIJWYER-SFHVURJKSA-N 2 2 340.433 4.288 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001203149985 1050855541 /nfs/dbraw/zinc/85/55/41/1050855541.db2.gz YCUSYYDNIJWYER-SFHVURJKSA-N 2 2 340.433 4.288 20 0 EIADLP c1cn(Cc2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001174397087 1050915244 /nfs/dbraw/zinc/91/52/44/1050915244.db2.gz MSOQGSYVWUOILN-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP c1cn(Cc2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001174397087 1050915257 /nfs/dbraw/zinc/91/52/57/1050915257.db2.gz MSOQGSYVWUOILN-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181243912 1051182499 /nfs/dbraw/zinc/18/24/99/1051182499.db2.gz LKSDUQXKTLGGSQ-SFHVURJKSA-N 2 2 328.544 4.208 20 0 EIADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181243912 1051182505 /nfs/dbraw/zinc/18/25/05/1051182505.db2.gz LKSDUQXKTLGGSQ-SFHVURJKSA-N 2 2 328.544 4.208 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000153680050 1051213518 /nfs/dbraw/zinc/21/35/18/1051213518.db2.gz QFNXEQBBHPLQSV-ZDUSSCGKSA-N 2 2 329.444 4.486 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001181383389 1051214060 /nfs/dbraw/zinc/21/40/60/1051214060.db2.gz SUEHXYQRDXBDIX-RXVVDRJESA-N 2 2 340.486 4.401 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001181383389 1051214074 /nfs/dbraw/zinc/21/40/74/1051214074.db2.gz SUEHXYQRDXBDIX-RXVVDRJESA-N 2 2 340.486 4.401 20 0 EIADLP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC001181463544 1051232830 /nfs/dbraw/zinc/23/28/30/1051232830.db2.gz COZMOTZKAWKYOY-XTXLOEGASA-N 2 2 342.527 4.328 20 0 EIADLP COc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC001181463544 1051232842 /nfs/dbraw/zinc/23/28/42/1051232842.db2.gz COZMOTZKAWKYOY-XTXLOEGASA-N 2 2 342.527 4.328 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC3 ZINC001181436709 1051237092 /nfs/dbraw/zinc/23/70/92/1051237092.db2.gz YXQNFEGTAQJPSS-IIBYNOLFSA-N 2 2 339.527 4.044 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC3 ZINC001181436709 1051237105 /nfs/dbraw/zinc/23/71/05/1051237105.db2.gz YXQNFEGTAQJPSS-IIBYNOLFSA-N 2 2 339.527 4.044 20 0 EIADLP Fc1cccc(/C=C/C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001181506263 1051243550 /nfs/dbraw/zinc/24/35/50/1051243550.db2.gz ODTLZOHXZJGILY-ZZXKWVIFSA-N 2 2 327.447 4.228 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC001181913440 1051351494 /nfs/dbraw/zinc/35/14/94/1051351494.db2.gz PTHFEXRZLQOLHP-FGZHOGPDSA-N 2 2 334.507 4.434 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC001181913440 1051351505 /nfs/dbraw/zinc/35/15/05/1051351505.db2.gz PTHFEXRZLQOLHP-FGZHOGPDSA-N 2 2 334.507 4.434 20 0 EIADLP CC[NH+](CC)CCN(Cc1cccs1)Cc1cc(C)cc(C)[nH+]1 ZINC001191549762 1051486588 /nfs/dbraw/zinc/48/65/88/1051486588.db2.gz GDOWBBYOFMWRRW-UHFFFAOYSA-N 2 2 331.529 4.104 20 0 EIADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001191559457 1051488439 /nfs/dbraw/zinc/48/84/39/1051488439.db2.gz MVUVTSWRTLOGCU-QGZVFWFLSA-N 2 2 339.321 4.318 20 0 EIADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001191559457 1051488441 /nfs/dbraw/zinc/48/84/41/1051488441.db2.gz MVUVTSWRTLOGCU-QGZVFWFLSA-N 2 2 339.321 4.318 20 0 EIADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175361334 1051551064 /nfs/dbraw/zinc/55/10/64/1051551064.db2.gz IPILZOHBODFUTJ-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001192043294 1051619492 /nfs/dbraw/zinc/61/94/92/1051619492.db2.gz RDBXRTXFJIBXDH-QGZVFWFLSA-N 2 2 345.874 4.129 20 0 EIADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001192043294 1051619497 /nfs/dbraw/zinc/61/94/97/1051619497.db2.gz RDBXRTXFJIBXDH-QGZVFWFLSA-N 2 2 345.874 4.129 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182635217 1051653961 /nfs/dbraw/zinc/65/39/61/1051653961.db2.gz YDSQERPQEUHVMW-UHOSZYNNSA-N 2 2 332.557 4.336 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182635217 1051653965 /nfs/dbraw/zinc/65/39/65/1051653965.db2.gz YDSQERPQEUHVMW-UHOSZYNNSA-N 2 2 332.557 4.336 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182843727 1051713625 /nfs/dbraw/zinc/71/36/25/1051713625.db2.gz GHTQTJQVNSLYHN-XJKSGUPXSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182843727 1051713634 /nfs/dbraw/zinc/71/36/34/1051713634.db2.gz GHTQTJQVNSLYHN-XJKSGUPXSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC001206548274 1051754365 /nfs/dbraw/zinc/75/43/65/1051754365.db2.gz IMLMJJOICAKHNY-OAHLLOKOSA-N 2 2 345.712 4.053 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001206548274 1051754378 /nfs/dbraw/zinc/75/43/78/1051754378.db2.gz IMLMJJOICAKHNY-OAHLLOKOSA-N 2 2 345.712 4.053 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000621261960 1051793002 /nfs/dbraw/zinc/79/30/02/1051793002.db2.gz JXARCEIFKMHOMN-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000621261960 1051793019 /nfs/dbraw/zinc/79/30/19/1051793019.db2.gz JXARCEIFKMHOMN-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261960 1051793031 /nfs/dbraw/zinc/79/30/31/1051793031.db2.gz JXARCEIFKMHOMN-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261960 1051793044 /nfs/dbraw/zinc/79/30/44/1051793044.db2.gz JXARCEIFKMHOMN-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000621261961 1051794027 /nfs/dbraw/zinc/79/40/27/1051794027.db2.gz JXARCEIFKMHOMN-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000621261961 1051794040 /nfs/dbraw/zinc/79/40/40/1051794040.db2.gz JXARCEIFKMHOMN-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261961 1051794054 /nfs/dbraw/zinc/79/40/54/1051794054.db2.gz JXARCEIFKMHOMN-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261961 1051794059 /nfs/dbraw/zinc/79/40/59/1051794059.db2.gz JXARCEIFKMHOMN-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000159018078 1051804088 /nfs/dbraw/zinc/80/40/88/1051804088.db2.gz UJOOZQSIOROYFU-KRWDZBQOSA-N 2 2 347.547 4.449 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000159018078 1051804097 /nfs/dbraw/zinc/80/40/97/1051804097.db2.gz UJOOZQSIOROYFU-KRWDZBQOSA-N 2 2 347.547 4.449 20 0 EIADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371174 1051837973 /nfs/dbraw/zinc/83/79/73/1051837973.db2.gz OIORMRAFKZYFKZ-NQIIRXRSSA-N 2 2 338.520 4.364 20 0 EIADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371174 1051837979 /nfs/dbraw/zinc/83/79/79/1051837979.db2.gz OIORMRAFKZYFKZ-NQIIRXRSSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371174 1051837986 /nfs/dbraw/zinc/83/79/86/1051837986.db2.gz OIORMRAFKZYFKZ-NQIIRXRSSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371174 1051837991 /nfs/dbraw/zinc/83/79/91/1051837991.db2.gz OIORMRAFKZYFKZ-NQIIRXRSSA-N 2 2 338.520 4.364 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001183481192 1051847935 /nfs/dbraw/zinc/84/79/35/1051847935.db2.gz FDQLPRPSZJFYSI-PXNSSMCTSA-N 2 2 333.479 4.311 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC001183481192 1051847938 /nfs/dbraw/zinc/84/79/38/1051847938.db2.gz FDQLPRPSZJFYSI-PXNSSMCTSA-N 2 2 333.479 4.311 20 0 EIADLP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972245 1051854656 /nfs/dbraw/zinc/85/46/56/1051854656.db2.gz AEGLKPGJFNMFGK-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972245 1051854660 /nfs/dbraw/zinc/85/46/60/1051854660.db2.gz AEGLKPGJFNMFGK-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972245 1051854665 /nfs/dbraw/zinc/85/46/65/1051854665.db2.gz AEGLKPGJFNMFGK-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972245 1051854669 /nfs/dbraw/zinc/85/46/69/1051854669.db2.gz AEGLKPGJFNMFGK-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Oc1cccc2sc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)cc21 ZINC001183500198 1051857048 /nfs/dbraw/zinc/85/70/48/1051857048.db2.gz QOOGLWKMKFMZHF-SFHVURJKSA-N 2 2 349.459 4.335 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183863663 1051917865 /nfs/dbraw/zinc/91/78/65/1051917865.db2.gz GBOMZGLAOZMPRD-UHFFFAOYSA-N 2 2 329.875 4.428 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459842 1051926293 /nfs/dbraw/zinc/92/62/93/1051926293.db2.gz HKBJJGKSOAJSIZ-YPAWHYETSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459842 1051926302 /nfs/dbraw/zinc/92/63/02/1051926302.db2.gz HKBJJGKSOAJSIZ-YPAWHYETSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001193459842 1051926308 /nfs/dbraw/zinc/92/63/08/1051926308.db2.gz HKBJJGKSOAJSIZ-YPAWHYETSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001193459842 1051926317 /nfs/dbraw/zinc/92/63/17/1051926317.db2.gz HKBJJGKSOAJSIZ-YPAWHYETSA-N 2 2 344.543 4.178 20 0 EIADLP Clc1cc(Nc2cccc(C[NH+]3CCCC3)c2)cn2cc[nH+]c12 ZINC001176196424 1051941037 /nfs/dbraw/zinc/94/10/37/1051941037.db2.gz ZYDMZCISOUTUNP-UHFFFAOYSA-N 2 2 326.831 4.327 20 0 EIADLP Cc1cc[nH+]c2cc(Nc3ccc(OCCC[NH+](C)C)nc3)ccc12 ZINC001176360640 1052037282 /nfs/dbraw/zinc/03/72/82/1052037282.db2.gz ULMPECICBAIVBM-UHFFFAOYSA-N 2 2 336.439 4.012 20 0 EIADLP CCc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc(CC)[nH+]1 ZINC001184658981 1052076600 /nfs/dbraw/zinc/07/66/00/1052076600.db2.gz WEYGCLLBPBPLBD-UHFFFAOYSA-N 2 2 338.499 4.199 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000774823557 1052171218 /nfs/dbraw/zinc/17/12/18/1052171218.db2.gz IYISXFPGNNNZIG-CVDCTZTESA-N 2 2 349.522 4.433 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340074 1052628068 /nfs/dbraw/zinc/62/80/68/1052628068.db2.gz WKTZUHBFRMBSAK-TZIWHRDSSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340074 1052628073 /nfs/dbraw/zinc/62/80/73/1052628073.db2.gz WKTZUHBFRMBSAK-TZIWHRDSSA-N 2 2 338.495 4.247 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000178951300 1052716451 /nfs/dbraw/zinc/71/64/51/1052716451.db2.gz VRHKKRXJLUEEDQ-QFIPXVFZSA-N 2 2 331.463 4.407 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000623964717 1052843865 /nfs/dbraw/zinc/84/38/65/1052843865.db2.gz ORHSVMPXSMRTDV-KBAYOESNSA-N 2 2 345.487 4.030 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181107645 1052875610 /nfs/dbraw/zinc/87/56/10/1052875610.db2.gz WWOXKVNOVBIOIR-INIZCTEOSA-N 2 2 336.277 4.119 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181107645 1052875614 /nfs/dbraw/zinc/87/56/14/1052875614.db2.gz WWOXKVNOVBIOIR-INIZCTEOSA-N 2 2 336.277 4.119 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181107669 1052875728 /nfs/dbraw/zinc/87/57/28/1052875728.db2.gz WWOXKVNOVBIOIR-MRXNPFEDSA-N 2 2 336.277 4.119 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181107669 1052875732 /nfs/dbraw/zinc/87/57/32/1052875732.db2.gz WWOXKVNOVBIOIR-MRXNPFEDSA-N 2 2 336.277 4.119 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668807 1053020452 /nfs/dbraw/zinc/02/04/52/1053020452.db2.gz HBDIEUQOJYXONK-CABCVRRESA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668807 1053020455 /nfs/dbraw/zinc/02/04/55/1053020455.db2.gz HBDIEUQOJYXONK-CABCVRRESA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cc2ccccc2[nH]1 ZINC000775627564 1053230981 /nfs/dbraw/zinc/23/09/81/1053230981.db2.gz JVFVSWOALZZSCP-IAGOWNOFSA-N 2 2 348.494 4.439 20 0 EIADLP CNc1ccc(C)cc1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001202513039 1053235596 /nfs/dbraw/zinc/23/55/96/1053235596.db2.gz HKUBNJKDUWUCMZ-UHFFFAOYSA-N 2 2 337.511 4.181 20 0 EIADLP CNc1ccc(C)cc1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001202513039 1053235610 /nfs/dbraw/zinc/23/56/10/1053235610.db2.gz HKUBNJKDUWUCMZ-UHFFFAOYSA-N 2 2 337.511 4.181 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000764639624 1053244850 /nfs/dbraw/zinc/24/48/50/1053244850.db2.gz QVCBPZCHCNOLPA-HNNXBMFYSA-N 2 2 343.298 4.281 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765247695 1053475835 /nfs/dbraw/zinc/47/58/35/1053475835.db2.gz BZSZCUFPPFKAHM-DYVFJYSZSA-N 2 2 335.879 4.311 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765247696 1053476161 /nfs/dbraw/zinc/47/61/61/1053476161.db2.gz BZSZCUFPPFKAHM-GUYCJALGSA-N 2 2 335.879 4.311 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000765252876 1053478036 /nfs/dbraw/zinc/47/80/36/1053478036.db2.gz SSKPKEIZLNWHAZ-SUMWQHHRSA-N 2 2 335.879 4.311 20 0 EIADLP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000866310393 1053686796 /nfs/dbraw/zinc/68/67/96/1053686796.db2.gz UOLZYQSXJFPHBK-MOPGFXCFSA-N 2 2 337.511 4.136 20 0 EIADLP c1ccc(CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccn2)cc1 ZINC000866350764 1053699715 /nfs/dbraw/zinc/69/97/15/1053699715.db2.gz ILOOEHSASGOJQR-YDPRHXJPSA-N 2 2 349.522 4.362 20 0 EIADLP CC1([NH+]2CCCC2)CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC001196684909 1053736105 /nfs/dbraw/zinc/73/61/05/1053736105.db2.gz PPVVDIGFEDUSEM-UHFFFAOYSA-N 2 2 338.948 4.382 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001198791272 1054258658 /nfs/dbraw/zinc/25/86/58/1054258658.db2.gz URJOIJPUMZVTHT-LSDHHAIUSA-N 2 2 325.447 4.253 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001198791272 1054258678 /nfs/dbraw/zinc/25/86/78/1054258678.db2.gz URJOIJPUMZVTHT-LSDHHAIUSA-N 2 2 325.447 4.253 20 0 EIADLP c1cn(-c2csc(C[NH2+]CCCn3ccc4ccccc43)c2)c[nH+]1 ZINC001198917598 1054302797 /nfs/dbraw/zinc/30/27/97/1054302797.db2.gz DCBQSGFGFUBEIO-UHFFFAOYSA-N 2 2 336.464 4.068 20 0 EIADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592996 1054531170 /nfs/dbraw/zinc/53/11/70/1054531170.db2.gz BVXIMSPELPVENU-OAQYLSRUSA-N 2 2 333.435 4.218 20 0 EIADLP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592996 1054531186 /nfs/dbraw/zinc/53/11/86/1054531186.db2.gz BVXIMSPELPVENU-OAQYLSRUSA-N 2 2 333.435 4.218 20 0 EIADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592993 1054531755 /nfs/dbraw/zinc/53/17/55/1054531755.db2.gz BVXIMSPELPVENU-NRFANRHFSA-N 2 2 333.435 4.218 20 0 EIADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592993 1054531771 /nfs/dbraw/zinc/53/17/71/1054531771.db2.gz BVXIMSPELPVENU-NRFANRHFSA-N 2 2 333.435 4.218 20 0 EIADLP CC(C)[NH+](CCC[NH2+]Cc1cc(F)ccc1OC(F)F)C(C)C ZINC001200921489 1054574306 /nfs/dbraw/zinc/57/43/06/1054574306.db2.gz HEVWFAPUZNKJHW-UHFFFAOYSA-N 2 2 332.410 4.026 20 0 EIADLP C[NH+](C)Cc1cccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)c1 ZINC001201384985 1054786228 /nfs/dbraw/zinc/78/62/28/1054786228.db2.gz WBFCUYZKSGJFAT-UHFFFAOYSA-N 2 2 342.443 4.234 20 0 EIADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC3CCSCC3)cc2)CC1 ZINC000876867420 1054977064 /nfs/dbraw/zinc/97/70/64/1054977064.db2.gz VIECVRSJJFZGOF-UHFFFAOYSA-N 2 2 347.572 4.020 20 0 EIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876932208 1054985568 /nfs/dbraw/zinc/98/55/68/1054985568.db2.gz GWBVCTJMFLPRLA-CQSZACIVSA-N 2 2 349.931 4.318 20 0 EIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876932208 1054985584 /nfs/dbraw/zinc/98/55/84/1054985584.db2.gz GWBVCTJMFLPRLA-CQSZACIVSA-N 2 2 349.931 4.318 20 0 EIADLP Cc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035522 /nfs/dbraw/zinc/03/55/22/1055035522.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035536 /nfs/dbraw/zinc/03/55/36/1055035536.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035552 /nfs/dbraw/zinc/03/55/52/1055035552.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035565 /nfs/dbraw/zinc/03/55/65/1055035565.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037424658 1055044796 /nfs/dbraw/zinc/04/47/96/1055044796.db2.gz KOAHWVCEGFDETC-HNNXBMFYSA-N 2 2 326.271 4.394 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)cn1 ZINC000126504554 1055049315 /nfs/dbraw/zinc/04/93/15/1055049315.db2.gz GHJHRURZYXICBM-OAHLLOKOSA-N 2 2 338.430 4.182 20 0 EIADLP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072756425 1055147723 /nfs/dbraw/zinc/14/77/23/1055147723.db2.gz ABKZLIYEFFSIPE-FGZHOGPDSA-N 2 2 347.462 4.191 20 0 EIADLP C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000776367156 1055223801 /nfs/dbraw/zinc/22/38/01/1055223801.db2.gz YZQZTBXYYGNTBA-AWEZNQCLSA-N 2 2 338.480 4.058 20 0 EIADLP Clc1ccccc1SCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348539318 1055542836 /nfs/dbraw/zinc/54/28/36/1055542836.db2.gz LWROONATPXVYLR-AWEZNQCLSA-N 2 2 335.904 4.425 20 0 EIADLP Clc1ccccc1SCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348539318 1055542853 /nfs/dbraw/zinc/54/28/53/1055542853.db2.gz LWROONATPXVYLR-AWEZNQCLSA-N 2 2 335.904 4.425 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)s1 ZINC000347637436 1055748889 /nfs/dbraw/zinc/74/88/89/1055748889.db2.gz LMVFSPSBBNRDGT-SFHVURJKSA-N 2 2 329.513 4.322 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCCC[C@H]2c2ccccc2)s1 ZINC000347637436 1055748911 /nfs/dbraw/zinc/74/89/11/1055748911.db2.gz LMVFSPSBBNRDGT-SFHVURJKSA-N 2 2 329.513 4.322 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)CCC2 ZINC000354475771 1056516211 /nfs/dbraw/zinc/51/62/11/1056516211.db2.gz LJFGUNYLWYRWEE-CIDNJEQPSA-N 2 2 343.437 4.416 20 0 EIADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(COc3ccccc3)c1)CCC2 ZINC000921794965 1056571178 /nfs/dbraw/zinc/57/11/78/1056571178.db2.gz SFNLKGUUPLJYPU-FQEVSTJZSA-N 2 2 347.462 4.129 20 0 EIADLP C[C@@H](C[NH2+]Cc1cccc(OCC2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000062254314 1056704874 /nfs/dbraw/zinc/70/48/74/1056704874.db2.gz WVKUCBGCTDEMDI-SFHVURJKSA-N 2 2 341.499 4.268 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323588 1059736710 /nfs/dbraw/zinc/73/67/10/1059736710.db2.gz DEEYOICLTVWKQP-HUUCEWRRSA-N 2 2 339.414 4.432 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326436 1059802461 /nfs/dbraw/zinc/80/24/61/1059802461.db2.gz QURIUCINWSNJGB-KUHUBIRLSA-N 2 2 337.398 4.186 20 0 EIADLP COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001168848080 1060484199 /nfs/dbraw/zinc/48/41/99/1060484199.db2.gz JGRFAAPHLPWMAD-GOSISDBHSA-N 2 2 349.478 4.192 20 0 EIADLP COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001168848080 1060484216 /nfs/dbraw/zinc/48/42/16/1060484216.db2.gz JGRFAAPHLPWMAD-GOSISDBHSA-N 2 2 349.478 4.192 20 0 EIADLP CC(C)c1cc(C(C)C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C(C)C)c1 ZINC001169073177 1060629408 /nfs/dbraw/zinc/62/94/08/1060629408.db2.gz BQOYEOMWQDKFHS-QGZVFWFLSA-N 2 2 343.515 4.105 20 0 EIADLP COc1ccc2cc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc2c1 ZINC001169144352 1060662452 /nfs/dbraw/zinc/66/24/52/1060662452.db2.gz QWFZEUSTOOOZIH-OXQOHEQNSA-N 2 2 327.472 4.199 20 0 EIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001169900561 1061025221 /nfs/dbraw/zinc/02/52/21/1061025221.db2.gz NLWDTWIXFLAFEJ-AHRSYUTCSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001169900561 1061025240 /nfs/dbraw/zinc/02/52/40/1061025240.db2.gz NLWDTWIXFLAFEJ-AHRSYUTCSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001169900561 1061025256 /nfs/dbraw/zinc/02/52/56/1061025256.db2.gz NLWDTWIXFLAFEJ-AHRSYUTCSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001169900561 1061025276 /nfs/dbraw/zinc/02/52/76/1061025276.db2.gz NLWDTWIXFLAFEJ-AHRSYUTCSA-N 2 2 340.898 4.465 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1F ZINC000067977627 527373994 /nfs/dbraw/zinc/37/39/94/527373994.db2.gz FKKQCTQZOWTNKW-SUMWQHHRSA-N 2 2 339.414 4.326 20 0 EIADLP FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c1 ZINC000010314145 563646975 /nfs/dbraw/zinc/64/69/75/563646975.db2.gz WAHCLUFTZIVLPS-UHFFFAOYSA-N 2 2 349.356 4.342 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532243405 1032123620 /nfs/dbraw/zinc/12/36/20/1032123620.db2.gz NCEPMMIYEXEGLK-ZFWWWQNUSA-N 2 2 333.863 4.082 20 0 EIADLP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140108440 1032124542 /nfs/dbraw/zinc/12/45/42/1032124542.db2.gz QQSJPQNSVJVFCM-CZTZKLFOSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140108440 1032124555 /nfs/dbraw/zinc/12/45/55/1032124555.db2.gz QQSJPQNSVJVFCM-CZTZKLFOSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140108440 1032124568 /nfs/dbraw/zinc/12/45/68/1032124568.db2.gz QQSJPQNSVJVFCM-CZTZKLFOSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000140108440 1032124584 /nfs/dbraw/zinc/12/45/84/1032124584.db2.gz QQSJPQNSVJVFCM-CZTZKLFOSA-N 2 2 335.495 4.129 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cnc3ccsc3c1)CCC2 ZINC000360079899 1032240350 /nfs/dbraw/zinc/24/03/50/1032240350.db2.gz RGFHZZGYXXSCTC-ZIAGYGMSSA-N 2 2 326.469 4.029 20 0 EIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(Cl)o1 ZINC000532374667 1032260672 /nfs/dbraw/zinc/26/06/72/1032260672.db2.gz NDYHFSZTKNUVCE-GJZGRUSLSA-N 2 2 332.875 4.179 20 0 EIADLP CCc1ccc2[nH+]ccc(N3CCc4c([nH+]c(C(C)C)n4C)C3)c2c1 ZINC000450320645 1032425589 /nfs/dbraw/zinc/42/55/89/1032425589.db2.gz WNDMKCPZFOOUBB-UHFFFAOYSA-N 2 2 334.467 4.217 20 0 EIADLP CC(C)C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000177932988 1032513014 /nfs/dbraw/zinc/51/30/14/1032513014.db2.gz UCFBYGMKCALTOQ-OAQYLSRUSA-N 2 2 334.467 4.203 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000666094153 1032523863 /nfs/dbraw/zinc/52/38/63/1032523863.db2.gz LBZISLGTYRLDBA-UWJYYQICSA-N 2 2 349.478 4.372 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000179963322 1019993206 /nfs/dbraw/zinc/99/32/06/1019993206.db2.gz KYGXIXBXXMIXAB-LJQANCHMSA-N 2 2 343.833 4.445 20 0 EIADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167233305 1020619937 /nfs/dbraw/zinc/61/99/37/1020619937.db2.gz HNNQMVHPFRFBIH-NRFANRHFSA-N 2 2 347.462 4.088 20 0 EIADLP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167233305 1020619960 /nfs/dbraw/zinc/61/99/60/1020619960.db2.gz HNNQMVHPFRFBIH-NRFANRHFSA-N 2 2 347.462 4.088 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1F ZINC000340259892 1020696617 /nfs/dbraw/zinc/69/66/17/1020696617.db2.gz QZBRHVMRAXPJAJ-IYOUNJFTSA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1F ZINC000340259892 1020696627 /nfs/dbraw/zinc/69/66/27/1020696627.db2.gz QZBRHVMRAXPJAJ-IYOUNJFTSA-N 2 2 333.476 4.016 20 0 EIADLP Fc1ccc(SCCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000340373016 1020805883 /nfs/dbraw/zinc/80/58/83/1020805883.db2.gz REAFYNKLNNYYJS-UHFFFAOYSA-N 2 2 341.455 4.283 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849029 1021015864 /nfs/dbraw/zinc/01/58/64/1021015864.db2.gz OWJJIFSLLQYGQJ-HSQYWUDLSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849029 1021015873 /nfs/dbraw/zinc/01/58/73/1021015873.db2.gz OWJJIFSLLQYGQJ-HSQYWUDLSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC000177807292 1021705186 /nfs/dbraw/zinc/70/51/86/1021705186.db2.gz ROYGMHIGIOUULZ-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)c1 ZINC000414058089 1021754176 /nfs/dbraw/zinc/75/41/76/1021754176.db2.gz GUTMBXNGAJQVOH-FUHWJXTLSA-N 2 2 343.902 4.341 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000656248103 1022181419 /nfs/dbraw/zinc/18/14/19/1022181419.db2.gz KIWXDVAZGSPTCD-UHFFFAOYSA-N 2 2 343.540 4.343 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000656248103 1022181437 /nfs/dbraw/zinc/18/14/37/1022181437.db2.gz KIWXDVAZGSPTCD-UHFFFAOYSA-N 2 2 343.540 4.343 20 0 EIADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2c1 ZINC000182089191 1022307120 /nfs/dbraw/zinc/30/71/20/1022307120.db2.gz YPNFGOOJBQFBNE-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP COc1ccc2cc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2c1 ZINC000182089191 1022307141 /nfs/dbraw/zinc/30/71/41/1022307141.db2.gz YPNFGOOJBQFBNE-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000472572924 1022372880 /nfs/dbraw/zinc/37/28/80/1022372880.db2.gz YYCJYRCYTCIGDY-YOEHRIQHSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000472572924 1022372895 /nfs/dbraw/zinc/37/28/95/1022372895.db2.gz YYCJYRCYTCIGDY-YOEHRIQHSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000472572924 1022372916 /nfs/dbraw/zinc/37/29/16/1022372916.db2.gz YYCJYRCYTCIGDY-YOEHRIQHSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000472572924 1022372935 /nfs/dbraw/zinc/37/29/35/1022372935.db2.gz YYCJYRCYTCIGDY-YOEHRIQHSA-N 2 2 339.321 4.174 20 0 EIADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000580921688 1022699899 /nfs/dbraw/zinc/69/98/99/1022699899.db2.gz XEWBTLYQGPJLPJ-GXFFZTMASA-N 2 2 344.509 4.111 20 0 EIADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000580921689 1022700695 /nfs/dbraw/zinc/70/06/95/1022700695.db2.gz XEWBTLYQGPJLPJ-MFKMUULPSA-N 2 2 344.509 4.111 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)c2ccccc21 ZINC000564440572 1022786795 /nfs/dbraw/zinc/78/67/95/1022786795.db2.gz NFQOFOSYLVXINB-VQTJNVASSA-N 2 2 337.467 4.028 20 0 EIADLP CCCc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000057889752 1022806590 /nfs/dbraw/zinc/80/65/90/1022806590.db2.gz NYBYLFDYBXYGJI-UHFFFAOYSA-N 2 2 335.561 4.184 20 0 EIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000376492032 1022834933 /nfs/dbraw/zinc/83/49/33/1022834933.db2.gz OEPJWSGZOWKCOO-HOCLYGCPSA-N 2 2 339.439 4.002 20 0 EIADLP C[N@H+](C1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000378619487 1022893008 /nfs/dbraw/zinc/89/30/08/1022893008.db2.gz FFCFHMVJFBPPJC-HSZRJFAPSA-N 2 2 349.522 4.098 20 0 EIADLP C[N@@H+](C1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000378619487 1022893009 /nfs/dbraw/zinc/89/30/09/1022893009.db2.gz FFCFHMVJFBPPJC-HSZRJFAPSA-N 2 2 349.522 4.098 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278622 1022953603 /nfs/dbraw/zinc/95/36/03/1022953603.db2.gz UTOKZMUCBIDWPT-UWJYYQICSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278622 1022953621 /nfs/dbraw/zinc/95/36/21/1022953621.db2.gz UTOKZMUCBIDWPT-UWJYYQICSA-N 2 2 338.495 4.499 20 0 EIADLP CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167454416 1023016676 /nfs/dbraw/zinc/01/66/76/1023016676.db2.gz VTGRZROEHMTAIY-JOCHJYFZSA-N 2 2 344.543 4.310 20 0 EIADLP CC(C)C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167454416 1023016693 /nfs/dbraw/zinc/01/66/93/1023016693.db2.gz VTGRZROEHMTAIY-JOCHJYFZSA-N 2 2 344.543 4.310 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccccc1 ZINC000656503610 1023075051 /nfs/dbraw/zinc/07/50/51/1023075051.db2.gz QKSVEFGFTANNQN-QKDPSFTKSA-N 2 2 345.490 4.414 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330897 1023271107 /nfs/dbraw/zinc/27/11/07/1023271107.db2.gz VRHQLWOSWKUFOJ-AYOQOUSVSA-N 2 2 337.492 4.275 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415084020 1023432463 /nfs/dbraw/zinc/43/24/63/1023432463.db2.gz QPWTXUXYJQIPJI-XHDPSFHLSA-N 2 2 335.904 4.175 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+](C)C3CC[NH2+]CC3)s2)cc1 ZINC000430627027 1023495915 /nfs/dbraw/zinc/49/59/15/1023495915.db2.gz LTKWRHHSDXQMAX-UHFFFAOYSA-N 2 2 329.513 4.117 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+](C)C3CC[NH2+]CC3)s2)cc1 ZINC000430627027 1023495922 /nfs/dbraw/zinc/49/59/22/1023495922.db2.gz LTKWRHHSDXQMAX-UHFFFAOYSA-N 2 2 329.513 4.117 20 0 EIADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369457 1023495919 /nfs/dbraw/zinc/49/59/19/1023495919.db2.gz PXZPIAROUWAKAH-JBACZVJFSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369457 1023495927 /nfs/dbraw/zinc/49/59/27/1023495927.db2.gz PXZPIAROUWAKAH-JBACZVJFSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377369457 1023495931 /nfs/dbraw/zinc/49/59/31/1023495931.db2.gz PXZPIAROUWAKAH-JBACZVJFSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377369457 1023495936 /nfs/dbraw/zinc/49/59/36/1023495936.db2.gz PXZPIAROUWAKAH-JBACZVJFSA-N 2 2 341.474 4.297 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000364218033 1023495817 /nfs/dbraw/zinc/49/58/17/1023495817.db2.gz PSWDHBCRQKWMCP-ZDUSSCGKSA-N 2 2 336.526 4.133 20 0 EIADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120152105 1023502149 /nfs/dbraw/zinc/50/21/49/1023502149.db2.gz SUQDTGIAZZTQOI-QZTJIDSGSA-N 3 2 328.504 4.033 20 0 EIADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120151832 1023502812 /nfs/dbraw/zinc/50/28/12/1023502812.db2.gz SUQDTGIAZZTQOI-MSOLQXFVSA-N 3 2 328.504 4.033 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000377407670 1023516887 /nfs/dbraw/zinc/51/68/87/1023516887.db2.gz AXOOHJQSRBLXGP-TZMCWYRMSA-N 2 2 333.888 4.137 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566449 1023683886 /nfs/dbraw/zinc/68/38/86/1023683886.db2.gz ARBXDXMCYZEDLH-WOJBJXKFSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566449 1023683891 /nfs/dbraw/zinc/68/38/91/1023683891.db2.gz ARBXDXMCYZEDLH-WOJBJXKFSA-N 2 2 344.524 4.080 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccc(Cl)c1 ZINC000364449303 1023783240 /nfs/dbraw/zinc/78/32/40/1023783240.db2.gz WBAMXNBYLXKPTK-VQIMIIECSA-N 2 2 347.865 4.047 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccc(Cl)c1 ZINC000364449303 1023783246 /nfs/dbraw/zinc/78/32/46/1023783246.db2.gz WBAMXNBYLXKPTK-VQIMIIECSA-N 2 2 347.865 4.047 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000367701026 1023893215 /nfs/dbraw/zinc/89/32/15/1023893215.db2.gz JSXIGGOPGOCMKU-GFCCVEGCSA-N 2 2 343.780 4.082 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000367701026 1023893217 /nfs/dbraw/zinc/89/32/17/1023893217.db2.gz JSXIGGOPGOCMKU-GFCCVEGCSA-N 2 2 343.780 4.082 20 0 EIADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510536766 1024003690 /nfs/dbraw/zinc/00/36/90/1024003690.db2.gz FSXXVKATAAVDTP-SFHVURJKSA-N 2 2 327.472 4.358 20 0 EIADLP CCCCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510536766 1024003707 /nfs/dbraw/zinc/00/37/07/1024003707.db2.gz FSXXVKATAAVDTP-SFHVURJKSA-N 2 2 327.472 4.358 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc(F)c2)c1 ZINC000510735213 1024370670 /nfs/dbraw/zinc/37/06/70/1024370670.db2.gz NISDZMTVERLQEY-FSSWDIPSSA-N 2 2 338.470 4.440 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(F)c2)c1 ZINC000510735213 1024370689 /nfs/dbraw/zinc/37/06/89/1024370689.db2.gz NISDZMTVERLQEY-FSSWDIPSSA-N 2 2 338.470 4.440 20 0 EIADLP CC[N@H+](CCC1CC[NH+](Cc2ncc(Cl)s2)CC1)CC1CC1 ZINC000473139475 1024382688 /nfs/dbraw/zinc/38/26/88/1024382688.db2.gz BIJWFSWJSWVXJD-UHFFFAOYSA-N 2 2 341.952 4.131 20 0 EIADLP CC[N@@H+](CCC1CC[NH+](Cc2ncc(Cl)s2)CC1)CC1CC1 ZINC000473139475 1024382707 /nfs/dbraw/zinc/38/27/07/1024382707.db2.gz BIJWFSWJSWVXJD-UHFFFAOYSA-N 2 2 341.952 4.131 20 0 EIADLP COCc1cc[nH+]c(NC2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000652331136 1024625908 /nfs/dbraw/zinc/62/59/08/1024625908.db2.gz ZDSRFHIAVSCMNJ-UHFFFAOYSA-N 2 2 339.483 4.083 20 0 EIADLP COCc1cc[nH+]c(NC2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000652331136 1024625924 /nfs/dbraw/zinc/62/59/24/1024625924.db2.gz ZDSRFHIAVSCMNJ-UHFFFAOYSA-N 2 2 339.483 4.083 20 0 EIADLP c1nc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)sc1-c1ccccc1 ZINC000663344639 1025139236 /nfs/dbraw/zinc/13/92/36/1025139236.db2.gz DDMPYVGYFBGSPW-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)sc1-c1ccccc1 ZINC000663344639 1025139245 /nfs/dbraw/zinc/13/92/45/1025139245.db2.gz DDMPYVGYFBGSPW-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000121368871 1025212251 /nfs/dbraw/zinc/21/22/51/1025212251.db2.gz ZMTOCXBDGIQXNN-CQSZACIVSA-N 2 2 349.400 4.420 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000926320187 1025219795 /nfs/dbraw/zinc/21/97/95/1025219795.db2.gz GTBONDWHNGJENV-LLVKDONJSA-N 2 2 340.364 4.155 20 0 EIADLP C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278873155 1025252711 /nfs/dbraw/zinc/25/27/11/1025252711.db2.gz GIFUEUVISFVUSO-GXTWGEPZSA-N 2 2 342.314 4.131 20 0 EIADLP C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000278873155 1025252729 /nfs/dbraw/zinc/25/27/29/1025252729.db2.gz GIFUEUVISFVUSO-GXTWGEPZSA-N 2 2 342.314 4.131 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000511048361 1025849655 /nfs/dbraw/zinc/84/96/55/1025849655.db2.gz OQNHHGNEKNOBAP-CTNGQTDRSA-N 2 2 335.426 4.025 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000512056044 1025857221 /nfs/dbraw/zinc/85/72/21/1025857221.db2.gz FFDYIXVGJMFVKQ-LCLFBYRMSA-N 2 2 343.559 4.344 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000512056044 1025857226 /nfs/dbraw/zinc/85/72/26/1025857226.db2.gz FFDYIXVGJMFVKQ-LCLFBYRMSA-N 2 2 343.559 4.344 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412828 1025881181 /nfs/dbraw/zinc/88/11/81/1025881181.db2.gz DFSVODUAQGEHCK-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412828 1025881184 /nfs/dbraw/zinc/88/11/84/1025881184.db2.gz DFSVODUAQGEHCK-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1 ZINC000187745766 1025888710 /nfs/dbraw/zinc/88/87/10/1025888710.db2.gz YGCFBAZISNGZME-FQEVSTJZSA-N 2 2 337.442 4.354 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414130 1025889218 /nfs/dbraw/zinc/88/92/18/1025889218.db2.gz QICXMEDQBPOWHP-IAGOWNOFSA-N 2 2 344.499 4.147 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414130 1025889221 /nfs/dbraw/zinc/88/92/21/1025889221.db2.gz QICXMEDQBPOWHP-IAGOWNOFSA-N 2 2 344.499 4.147 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657311832 1025902492 /nfs/dbraw/zinc/90/24/92/1025902492.db2.gz WRAZKZXWESRCAN-GOSISDBHSA-N 2 2 340.515 4.128 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657311832 1025902505 /nfs/dbraw/zinc/90/25/05/1025902505.db2.gz WRAZKZXWESRCAN-GOSISDBHSA-N 2 2 340.515 4.128 20 0 EIADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000390925332 1026007677 /nfs/dbraw/zinc/00/76/77/1026007677.db2.gz YNKJEPROIZYRME-GOSISDBHSA-N 2 2 343.540 4.096 20 0 EIADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000390925332 1026007702 /nfs/dbraw/zinc/00/77/02/1026007702.db2.gz YNKJEPROIZYRME-GOSISDBHSA-N 2 2 343.540 4.096 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2CCCC2)s1 ZINC000512114585 1026037412 /nfs/dbraw/zinc/03/74/12/1026037412.db2.gz HOTYFGJOFBYEFP-LJQANCHMSA-N 2 2 329.513 4.226 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824312 1026127527 /nfs/dbraw/zinc/12/75/27/1026127527.db2.gz UHXGCMKYKHQTQY-FQEVSTJZSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824312 1026127542 /nfs/dbraw/zinc/12/75/42/1026127542.db2.gz UHXGCMKYKHQTQY-FQEVSTJZSA-N 2 2 332.451 4.159 20 0 EIADLP COc1ccc(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)cc1 ZINC000344304223 1026233579 /nfs/dbraw/zinc/23/35/79/1026233579.db2.gz WPCOOCOYYIRMAN-UHFFFAOYSA-N 2 2 347.462 4.092 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2ccccc2[C@@H]1C ZINC001167867419 1026355155 /nfs/dbraw/zinc/35/51/55/1026355155.db2.gz HDOKUVCFLDUCHS-KRWDZBQOSA-N 2 2 333.435 4.136 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC001167867419 1026355168 /nfs/dbraw/zinc/35/51/68/1026355168.db2.gz HDOKUVCFLDUCHS-KRWDZBQOSA-N 2 2 333.435 4.136 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000109788523 1026445816 /nfs/dbraw/zinc/44/58/16/1026445816.db2.gz ITQOAUJGMOZMHB-UHFFFAOYSA-N 2 2 330.516 4.121 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000109788523 1026445825 /nfs/dbraw/zinc/44/58/25/1026445825.db2.gz ITQOAUJGMOZMHB-UHFFFAOYSA-N 2 2 330.516 4.121 20 0 EIADLP Cc1ccccc1C1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000582328073 1026454933 /nfs/dbraw/zinc/45/49/33/1026454933.db2.gz JUMWTZGMNMTBBA-UHFFFAOYSA-N 2 2 331.463 4.276 20 0 EIADLP FC(F)(F)CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000375695340 1026545895 /nfs/dbraw/zinc/54/58/95/1026545895.db2.gz BQMZZVSSFKGGDI-CQSZACIVSA-N 2 2 329.410 4.131 20 0 EIADLP FC(F)(F)CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000375695340 1026545899 /nfs/dbraw/zinc/54/58/99/1026545899.db2.gz BQMZZVSSFKGGDI-CQSZACIVSA-N 2 2 329.410 4.131 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001167573602 1026620070 /nfs/dbraw/zinc/62/00/70/1026620070.db2.gz WFFQYOZDPOICQI-KKSFZXQISA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001167573602 1026620076 /nfs/dbraw/zinc/62/00/76/1026620076.db2.gz WFFQYOZDPOICQI-KKSFZXQISA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573602 1026620084 /nfs/dbraw/zinc/62/00/84/1026620084.db2.gz WFFQYOZDPOICQI-KKSFZXQISA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573602 1026620097 /nfs/dbraw/zinc/62/00/97/1026620097.db2.gz WFFQYOZDPOICQI-KKSFZXQISA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001167573600 1026621681 /nfs/dbraw/zinc/62/16/81/1026621681.db2.gz WFFQYOZDPOICQI-IERDGZPVSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001167573600 1026621688 /nfs/dbraw/zinc/62/16/88/1026621688.db2.gz WFFQYOZDPOICQI-IERDGZPVSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573600 1026621691 /nfs/dbraw/zinc/62/16/91/1026621691.db2.gz WFFQYOZDPOICQI-IERDGZPVSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573600 1026621694 /nfs/dbraw/zinc/62/16/94/1026621694.db2.gz WFFQYOZDPOICQI-IERDGZPVSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000152561857 1026676198 /nfs/dbraw/zinc/67/61/98/1026676198.db2.gz UNCZHDWWFJOVPK-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000152561857 1026676204 /nfs/dbraw/zinc/67/62/04/1026676204.db2.gz UNCZHDWWFJOVPK-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP COc1ccc2cc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000152825760 1026853718 /nfs/dbraw/zinc/85/37/18/1026853718.db2.gz GSOJPYCBMMBMJJ-INIZCTEOSA-N 2 2 349.478 4.275 20 0 EIADLP CCCc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000519846752 1027017217 /nfs/dbraw/zinc/01/72/17/1027017217.db2.gz IVQXEOYSMHBTOS-UHFFFAOYSA-N 2 2 326.484 4.329 20 0 EIADLP CCCc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000519846752 1027017220 /nfs/dbraw/zinc/01/72/20/1027017220.db2.gz IVQXEOYSMHBTOS-UHFFFAOYSA-N 2 2 326.484 4.329 20 0 EIADLP CC(C)[C@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000474473377 1027097988 /nfs/dbraw/zinc/09/79/88/1027097988.db2.gz YHOPVPRLTYLYFZ-PMACEKPBSA-N 2 2 325.500 4.278 20 0 EIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000302033446 1027192568 /nfs/dbraw/zinc/19/25/68/1027192568.db2.gz KZUDCVZARYHRAG-MGPUTAFESA-N 2 2 334.467 4.390 20 0 EIADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc2cccnc12 ZINC000896196152 1027322074 /nfs/dbraw/zinc/32/20/74/1027322074.db2.gz YGLJSLKNWBWVFW-UHFFFAOYSA-N 2 2 332.451 4.015 20 0 EIADLP c1ccc(NC2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)[nH+]c1 ZINC000896194535 1027331379 /nfs/dbraw/zinc/33/13/79/1027331379.db2.gz CBWVTSBMEQZGIN-UHFFFAOYSA-N 2 2 344.462 4.220 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474712998 1027430200 /nfs/dbraw/zinc/43/02/00/1027430200.db2.gz KXFVSXHUMYSUHK-JYJNAYRXSA-N 2 2 343.540 4.395 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474712998 1027430209 /nfs/dbraw/zinc/43/02/09/1027430209.db2.gz KXFVSXHUMYSUHK-JYJNAYRXSA-N 2 2 343.540 4.395 20 0 EIADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628167219 1027453994 /nfs/dbraw/zinc/45/39/94/1027453994.db2.gz HLTIQYWAGMGEHZ-KRWDZBQOSA-N 2 2 337.389 4.090 20 0 EIADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628167219 1027454010 /nfs/dbraw/zinc/45/40/10/1027454010.db2.gz HLTIQYWAGMGEHZ-KRWDZBQOSA-N 2 2 337.389 4.090 20 0 EIADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c(OCc2ccccc2)c1 ZINC001167625333 1027469076 /nfs/dbraw/zinc/46/90/76/1027469076.db2.gz WBFIZPJLMPZRQK-UHFFFAOYSA-N 2 2 339.483 4.145 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2F)s1 ZINC000582851915 1027511342 /nfs/dbraw/zinc/51/13/42/1027511342.db2.gz SVJKFYZTZVHTET-UHFFFAOYSA-N 2 2 329.444 4.273 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2F)s1 ZINC000582851915 1027511344 /nfs/dbraw/zinc/51/13/44/1027511344.db2.gz SVJKFYZTZVHTET-UHFFFAOYSA-N 2 2 329.444 4.273 20 0 EIADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(OC(F)F)cc1C ZINC000475552372 1027601457 /nfs/dbraw/zinc/60/14/57/1027601457.db2.gz LUVDVUDJEPMQGK-UHFFFAOYSA-N 2 2 338.442 4.011 20 0 EIADLP CC(C)O[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000582941084 1027722440 /nfs/dbraw/zinc/72/24/40/1027722440.db2.gz HZDSMLXJAHKUEK-FQEVSTJZSA-N 2 2 339.483 4.124 20 0 EIADLP Clc1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995195 1027741321 /nfs/dbraw/zinc/74/13/21/1027741321.db2.gz YQFVZUUQWSDIAR-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995195 1027741338 /nfs/dbraw/zinc/74/13/38/1027741338.db2.gz YQFVZUUQWSDIAR-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995195 1027741367 /nfs/dbraw/zinc/74/13/67/1027741367.db2.gz YQFVZUUQWSDIAR-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995195 1027741391 /nfs/dbraw/zinc/74/13/91/1027741391.db2.gz YQFVZUUQWSDIAR-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(OC)c1 ZINC000153641055 1027813408 /nfs/dbraw/zinc/81/34/08/1027813408.db2.gz AWGJAZCNEJQNMV-LJQANCHMSA-N 2 2 339.414 4.261 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000162141049 1027819924 /nfs/dbraw/zinc/81/99/24/1027819924.db2.gz MAIDLBYBSWXKLV-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC[NH+]1CCCCC1 ZINC000444781426 1028043939 /nfs/dbraw/zinc/04/39/39/1028043939.db2.gz AQMGDVGAYYHOCC-QGZVFWFLSA-N 2 2 328.422 4.454 20 0 EIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC)c(OC)c1 ZINC000162864839 1028481925 /nfs/dbraw/zinc/48/19/25/1028481925.db2.gz GWHMDSMRIRQKHM-QGZVFWFLSA-N 2 2 343.471 4.032 20 0 EIADLP Cc1nc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)s1 ZINC000346563900 1028497277 /nfs/dbraw/zinc/49/72/77/1028497277.db2.gz MNHDZECBULJODS-GJZGRUSLSA-N 2 2 343.540 4.006 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126294702 1028575966 /nfs/dbraw/zinc/57/59/66/1028575966.db2.gz JEHPQJKVTFZXOQ-NRFANRHFSA-N 2 2 348.494 4.129 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126294702 1028575994 /nfs/dbraw/zinc/57/59/94/1028575994.db2.gz JEHPQJKVTFZXOQ-NRFANRHFSA-N 2 2 348.494 4.129 20 0 EIADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522735788 1028742958 /nfs/dbraw/zinc/74/29/58/1028742958.db2.gz UOASBBODBZVKSQ-HXUWFJFHSA-N 2 2 344.543 4.418 20 0 EIADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522735788 1028742976 /nfs/dbraw/zinc/74/29/76/1028742976.db2.gz UOASBBODBZVKSQ-HXUWFJFHSA-N 2 2 344.543 4.418 20 0 EIADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000346976870 1028837685 /nfs/dbraw/zinc/83/76/85/1028837685.db2.gz VOYIGIIHAWTFJO-RHSMWYFYSA-N 2 2 344.528 4.073 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151034949 1028853452 /nfs/dbraw/zinc/85/34/52/1028853452.db2.gz QFWIXKMGCBUROO-RNODOKPDSA-N 2 2 339.389 4.174 20 0 EIADLP Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000347199775 1028912850 /nfs/dbraw/zinc/91/28/50/1028912850.db2.gz IETIWHKFBYAHJV-QGZVFWFLSA-N 2 2 334.467 4.415 20 0 EIADLP Cc1ccc(C[N@@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056919 1029317853 /nfs/dbraw/zinc/31/78/53/1029317853.db2.gz JZMZQLTVVVTSIY-OALUTQOASA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(C[N@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056919 1029317871 /nfs/dbraw/zinc/31/78/71/1029317871.db2.gz JZMZQLTVVVTSIY-OALUTQOASA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+](C4CC4)CC3)s2)cc1C ZINC000655708475 1029318340 /nfs/dbraw/zinc/31/83/40/1029318340.db2.gz QHDDBODMDNQJAZ-UHFFFAOYSA-N 2 2 341.524 4.143 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151366990 1029490372 /nfs/dbraw/zinc/49/03/72/1029490372.db2.gz AWQAESVNQQBWIT-BTYIYWSLSA-N 2 2 335.426 4.094 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)c[nH+]1 ZINC000151351196 1029493648 /nfs/dbraw/zinc/49/36/48/1029493648.db2.gz IKARNZPIJIQURA-OAQYLSRUSA-N 2 2 349.503 4.052 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)c(Cl)c1 ZINC000657817907 1029533545 /nfs/dbraw/zinc/53/35/45/1029533545.db2.gz QEOGZCKVDRUMQQ-LLVKDONJSA-N 2 2 342.668 4.040 20 0 EIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1C(C)(C)C1(C)C ZINC000475355000 1029571862 /nfs/dbraw/zinc/57/18/62/1029571862.db2.gz UILRYSULPRYBRG-LRVUVFPRSA-N 2 2 346.481 4.452 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000447084070 1029682229 /nfs/dbraw/zinc/68/22/29/1029682229.db2.gz CWWGDWGRXXCGJT-UHFFFAOYSA-N 2 2 343.496 4.157 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000429713328 1029698734 /nfs/dbraw/zinc/69/87/34/1029698734.db2.gz DFZYLFRBIIZQHA-IBGZPJMESA-N 2 2 326.415 4.060 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000584260951 1029699399 /nfs/dbraw/zinc/69/93/99/1029699399.db2.gz FIPUDYPJOGFUJB-NRFANRHFSA-N 2 2 349.478 4.030 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(C)(C)C)cc1 ZINC000584297092 1029722187 /nfs/dbraw/zinc/72/21/87/1029722187.db2.gz VEAVFQZROBTWGQ-ICSRJNTNSA-N 2 2 325.500 4.482 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000525787277 1030005141 /nfs/dbraw/zinc/00/51/41/1030005141.db2.gz IPRHMZAVICGZEE-INIZCTEOSA-N 2 2 326.406 4.013 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000525787277 1030005161 /nfs/dbraw/zinc/00/51/61/1030005161.db2.gz IPRHMZAVICGZEE-INIZCTEOSA-N 2 2 326.406 4.013 20 0 EIADLP Cc1[nH]c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2c1C ZINC000145888568 1030088013 /nfs/dbraw/zinc/08/80/13/1030088013.db2.gz OYGDNJPJWFTVFR-UHFFFAOYSA-N 2 2 330.435 4.260 20 0 EIADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930166 1030104967 /nfs/dbraw/zinc/10/49/67/1030104967.db2.gz VUTXVJMIPWEILH-CVEARBPZSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930166 1030104971 /nfs/dbraw/zinc/10/49/71/1030104971.db2.gz VUTXVJMIPWEILH-CVEARBPZSA-N 2 2 337.458 4.224 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nccs1 ZINC000373254702 1030112992 /nfs/dbraw/zinc/11/29/92/1030112992.db2.gz ZYQZOCAAXHJONA-WZGPROSRSA-N 2 2 341.524 4.094 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nccs1 ZINC000373254702 1030113010 /nfs/dbraw/zinc/11/30/10/1030113010.db2.gz ZYQZOCAAXHJONA-WZGPROSRSA-N 2 2 341.524 4.094 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC000373519264 1030219846 /nfs/dbraw/zinc/21/98/46/1030219846.db2.gz IQNKZDNJDRZAAF-HTWSVDAQSA-N 2 2 338.417 4.069 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc3cnccc3c2)CC1 ZINC000685467464 1030355200 /nfs/dbraw/zinc/35/52/00/1030355200.db2.gz QVMICFXLKDVQHP-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc3cnccc3c2)CC1 ZINC000685467464 1030355234 /nfs/dbraw/zinc/35/52/34/1030355234.db2.gz QVMICFXLKDVQHP-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189494603 1030472696 /nfs/dbraw/zinc/47/26/96/1030472696.db2.gz NIYCUVXXUYJCJW-HNAYVOBHSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189494603 1030472722 /nfs/dbraw/zinc/47/27/22/1030472722.db2.gz NIYCUVXXUYJCJW-HNAYVOBHSA-N 2 2 347.890 4.087 20 0 EIADLP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530516805 1030493597 /nfs/dbraw/zinc/49/35/97/1030493597.db2.gz FZDKICKUHKVMIC-NRFANRHFSA-N 2 2 342.527 4.075 20 0 EIADLP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530516805 1030493615 /nfs/dbraw/zinc/49/36/15/1030493615.db2.gz FZDKICKUHKVMIC-NRFANRHFSA-N 2 2 342.527 4.075 20 0 EIADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648456803 1030501544 /nfs/dbraw/zinc/50/15/44/1030501544.db2.gz RZINFFGAJAOOLI-HZPDHXFCSA-N 2 2 341.499 4.038 20 0 EIADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648456804 1030501676 /nfs/dbraw/zinc/50/16/76/1030501676.db2.gz RZINFFGAJAOOLI-JKSUJKDBSA-N 2 2 341.499 4.038 20 0 EIADLP Fc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC000527349002 1030637926 /nfs/dbraw/zinc/63/79/26/1030637926.db2.gz YKOCDBWWXNHJBQ-RTBURBONSA-N 2 2 335.426 4.437 20 0 EIADLP COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1F ZINC000192694172 1030711215 /nfs/dbraw/zinc/71/12/15/1030711215.db2.gz HYRZGJRJAPKBKE-CQSZACIVSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000398187750 1030735304 /nfs/dbraw/zinc/73/53/04/1030735304.db2.gz YPJXSNZTPSSNPD-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000398187750 1030735329 /nfs/dbraw/zinc/73/53/29/1030735329.db2.gz YPJXSNZTPSSNPD-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP COCCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000122400000 1030812957 /nfs/dbraw/zinc/81/29/57/1030812957.db2.gz XRIAEZQUOPNMOU-QGZVFWFLSA-N 2 2 327.472 4.120 20 0 EIADLP c1nc(C2CCCCC2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000530974867 1030822227 /nfs/dbraw/zinc/82/22/27/1030822227.db2.gz HODYECYQSJFCLJ-UHFFFAOYSA-N 2 2 333.545 4.297 20 0 EIADLP Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)[C@H]21 ZINC000527746923 1030841664 /nfs/dbraw/zinc/84/16/64/1030841664.db2.gz ASLZYRATDJNBCS-RCCFBDPRSA-N 2 2 341.867 4.015 20 0 EIADLP C[C@@H]1[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H]1c1ccccc1 ZINC000658198960 1030879369 /nfs/dbraw/zinc/87/93/69/1030879369.db2.gz YSWWNRIUFIWYGP-ZHNGQKSSSA-N 2 2 345.490 4.486 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000037319135 1030899008 /nfs/dbraw/zinc/89/90/08/1030899008.db2.gz RTUBHEJAROFLPP-GFCCVEGCSA-N 2 2 345.350 4.426 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000658338263 1031003700 /nfs/dbraw/zinc/00/37/00/1031003700.db2.gz KDHRKCGVUXAWBT-TZYHBYERSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000658338263 1031003727 /nfs/dbraw/zinc/00/37/27/1031003727.db2.gz KDHRKCGVUXAWBT-TZYHBYERSA-N 2 2 349.522 4.268 20 0 EIADLP C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527967875 1031010027 /nfs/dbraw/zinc/01/00/27/1031010027.db2.gz NFZPBKLDKIPQAY-HRAATJIYSA-N 2 2 332.451 4.459 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009160 1031035275 /nfs/dbraw/zinc/03/52/75/1031035275.db2.gz HASJJAHHQBRBHM-VGOFRKELSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009160 1031035295 /nfs/dbraw/zinc/03/52/95/1031035295.db2.gz HASJJAHHQBRBHM-VGOFRKELSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000532497432 1031236753 /nfs/dbraw/zinc/23/67/53/1031236753.db2.gz XVYPLSZUCKPGRN-AWEZNQCLSA-N 2 2 348.288 4.387 20 0 EIADLP Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015209 1031342780 /nfs/dbraw/zinc/34/27/80/1031342780.db2.gz KQADVHDIAVVFNI-ZDUSSCGKSA-N 2 2 342.443 4.052 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037115 1031373967 /nfs/dbraw/zinc/37/39/67/1031373967.db2.gz MIKXZFDSROJEPI-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037115 1031373981 /nfs/dbraw/zinc/37/39/81/1031373981.db2.gz MIKXZFDSROJEPI-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037115 1031373996 /nfs/dbraw/zinc/37/39/96/1031373996.db2.gz MIKXZFDSROJEPI-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037115 1031374006 /nfs/dbraw/zinc/37/40/06/1031374006.db2.gz MIKXZFDSROJEPI-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP CSCC1CCC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000449166604 1031503799 /nfs/dbraw/zinc/50/37/99/1031503799.db2.gz DZXWPHCLPAMUOF-HJOIGYKYSA-N 2 2 329.513 4.445 20 0 EIADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000528443526 1031510835 /nfs/dbraw/zinc/51/08/35/1031510835.db2.gz QCZCWEGGPRAFTH-MGPUTAFESA-N 2 2 339.414 4.050 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000236603333 1031537818 /nfs/dbraw/zinc/53/78/18/1031537818.db2.gz FBQUMMDPKORQCY-UHFFFAOYSA-N 2 2 330.447 4.357 20 0 EIADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449219853 1031553120 /nfs/dbraw/zinc/55/31/20/1031553120.db2.gz OPUJQEZDXGJJTC-UHFFFAOYSA-N 3 2 337.596 4.130 20 0 EIADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000449308810 1031614146 /nfs/dbraw/zinc/61/41/46/1031614146.db2.gz ZXNVPGTVTLCHRH-QGZVFWFLSA-N 2 2 327.447 4.047 20 0 EIADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000449308810 1031614156 /nfs/dbraw/zinc/61/41/56/1031614156.db2.gz ZXNVPGTVTLCHRH-QGZVFWFLSA-N 2 2 327.447 4.047 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453174811 1031648096 /nfs/dbraw/zinc/64/80/96/1031648096.db2.gz PCWJSJOEUBWCAK-SFHVURJKSA-N 2 2 349.522 4.144 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1F ZINC000449373594 1031669153 /nfs/dbraw/zinc/66/91/53/1031669153.db2.gz SDAKMRBNXAODRY-CQSZACIVSA-N 2 2 347.503 4.208 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1F ZINC000449373594 1031669164 /nfs/dbraw/zinc/66/91/64/1031669164.db2.gz SDAKMRBNXAODRY-CQSZACIVSA-N 2 2 347.503 4.208 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000449376476 1031671129 /nfs/dbraw/zinc/67/11/29/1031671129.db2.gz LRGMTWVUTGBNLB-MRXNPFEDSA-N 2 2 340.433 4.113 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528658340 1031720746 /nfs/dbraw/zinc/72/07/46/1031720746.db2.gz MMZXCTXPTMHBFR-OAQYLSRUSA-N 2 2 332.451 4.207 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000531941150 1031854520 /nfs/dbraw/zinc/85/45/20/1031854520.db2.gz SYNXIUQFACCOCY-NQIIRXRSSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000531941150 1031854523 /nfs/dbraw/zinc/85/45/23/1031854523.db2.gz SYNXIUQFACCOCY-NQIIRXRSSA-N 2 2 329.532 4.242 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000359895071 1031895569 /nfs/dbraw/zinc/89/55/69/1031895569.db2.gz GGPGCFSCNAORSW-ZBFHGGJFSA-N 2 2 339.439 4.175 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OC)cc1 ZINC000132174512 1031902770 /nfs/dbraw/zinc/90/27/70/1031902770.db2.gz XKOUNVGCOLZQCZ-OAQYLSRUSA-N 2 2 349.478 4.223 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453373462 1031920444 /nfs/dbraw/zinc/92/04/44/1031920444.db2.gz OGTGHUHKZOHPDQ-LAUBAEHRSA-N 2 2 346.478 4.494 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394302 1031961420 /nfs/dbraw/zinc/96/14/20/1031961420.db2.gz ISMOLVSQEYFXGA-YLJYHZDGSA-N 2 2 327.516 4.018 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394302 1031961427 /nfs/dbraw/zinc/96/14/27/1031961427.db2.gz ISMOLVSQEYFXGA-YLJYHZDGSA-N 2 2 327.516 4.018 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894058375 1033298382 /nfs/dbraw/zinc/29/83/82/1033298382.db2.gz SMZQLSBAXDGHGH-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894058375 1033298391 /nfs/dbraw/zinc/29/83/91/1033298391.db2.gz SMZQLSBAXDGHGH-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CC(C)(C[NH2+]Cc1ccc(Sc2ccccn2)o1)C[NH+]1CCCC1 ZINC000513205874 1034834522 /nfs/dbraw/zinc/83/45/22/1034834522.db2.gz QUUVUDGZJLOSMM-UHFFFAOYSA-N 2 2 345.512 4.037 20 0 EIADLP Cc1ccc(F)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513454222 1034951746 /nfs/dbraw/zinc/95/17/46/1034951746.db2.gz DKBMCEAXOREKOC-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(F)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513454222 1034951757 /nfs/dbraw/zinc/95/17/57/1034951757.db2.gz DKBMCEAXOREKOC-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C[N@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496994 1034986460 /nfs/dbraw/zinc/98/64/60/1034986460.db2.gz OUWZEPXQWUHAFW-VMPITWQZSA-N 2 2 338.470 4.435 20 0 EIADLP C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496994 1034986466 /nfs/dbraw/zinc/98/64/66/1034986466.db2.gz OUWZEPXQWUHAFW-VMPITWQZSA-N 2 2 338.470 4.435 20 0 EIADLP Fc1cccc([C@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000280173404 1035196354 /nfs/dbraw/zinc/19/63/54/1035196354.db2.gz GDQCIWMLYKYNMB-PXNSSMCTSA-N 2 2 339.458 4.115 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000319630069 1035335013 /nfs/dbraw/zinc/33/50/13/1035335013.db2.gz AUSVNNCZHBMXOK-AWEZNQCLSA-N 2 2 343.443 4.136 20 0 EIADLP Cc1nc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313497 1035508905 /nfs/dbraw/zinc/50/89/05/1035508905.db2.gz UEAYTPCVUDVUED-AUUYWEPGSA-N 2 2 345.874 4.050 20 0 EIADLP Cc1nc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313497 1035508922 /nfs/dbraw/zinc/50/89/22/1035508922.db2.gz UEAYTPCVUDVUED-AUUYWEPGSA-N 2 2 345.874 4.050 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc3c(c2)CCCC3)[nH+]1 ZINC000490553687 1035510049 /nfs/dbraw/zinc/51/00/49/1035510049.db2.gz CIMMJIOMYDFJSU-UHFFFAOYSA-N 2 2 345.490 4.143 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000485269894 1035809336 /nfs/dbraw/zinc/80/93/36/1035809336.db2.gz JAZPCTOZKMBXQN-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502053333 1035827621 /nfs/dbraw/zinc/82/76/21/1035827621.db2.gz QPZLAZLRVUWTMY-ZVDOUQERSA-N 2 2 344.543 4.445 20 0 EIADLP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000414497292 1036044720 /nfs/dbraw/zinc/04/47/20/1036044720.db2.gz SJZNJGNPWQTXMA-MRXNPFEDSA-N 2 2 329.513 4.151 20 0 EIADLP FC(F)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000421367988 1036313756 /nfs/dbraw/zinc/31/37/56/1036313756.db2.gz FKTAGOJCYWOVLB-KRWDZBQOSA-N 2 2 331.410 4.037 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Cl)CCC2 ZINC000421828767 1036787014 /nfs/dbraw/zinc/78/70/14/1036787014.db2.gz FEJQWDRFFYNQIK-DOMZBBRYSA-N 2 2 335.854 4.082 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829453 1036788500 /nfs/dbraw/zinc/78/85/00/1036788500.db2.gz HYXYFXYFLNOXJZ-SOLBZPMBSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829453 1036788511 /nfs/dbraw/zinc/78/85/11/1036788511.db2.gz HYXYFXYFLNOXJZ-SOLBZPMBSA-N 2 2 343.902 4.439 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+]C/C=C/c2ccncc2)c2ccccc2)CC1 ZINC000486957904 1036919753 /nfs/dbraw/zinc/91/97/53/1036919753.db2.gz NADDBXILTIEZLN-IOUFHMPJSA-N 2 2 335.495 4.158 20 0 EIADLP Fc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1 ZINC000271896189 1037048163 /nfs/dbraw/zinc/04/81/63/1037048163.db2.gz XCTDIKZHEGQLBA-OAQYLSRUSA-N 2 2 335.426 4.311 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C/C=C\c2ccncc2)CCCC1)c1ccccc1 ZINC000487288194 1037103791 /nfs/dbraw/zinc/10/37/91/1037103791.db2.gz LRAOJMVEHXKKMC-QULHZPMSSA-N 2 2 335.495 4.348 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272656415 1037258341 /nfs/dbraw/zinc/25/83/41/1037258341.db2.gz LUIRDRAGOPTDCA-SOLBZPMBSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272656415 1037258369 /nfs/dbraw/zinc/25/83/69/1037258369.db2.gz LUIRDRAGOPTDCA-SOLBZPMBSA-N 2 2 329.513 4.013 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)n2c1CCCC2 ZINC000669714437 1037353060 /nfs/dbraw/zinc/35/30/60/1037353060.db2.gz QLBGGGAOAXJQQK-GOSISDBHSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)n2c1CCCC2 ZINC000669714437 1037353075 /nfs/dbraw/zinc/35/30/75/1037353075.db2.gz QLBGGGAOAXJQQK-GOSISDBHSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)n2c1CCCC2 ZINC000669714438 1037353792 /nfs/dbraw/zinc/35/37/92/1037353792.db2.gz QLBGGGAOAXJQQK-SFHVURJKSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)n2c1CCCC2 ZINC000669714438 1037353806 /nfs/dbraw/zinc/35/38/06/1037353806.db2.gz QLBGGGAOAXJQQK-SFHVURJKSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)n2c1CCCC2 ZINC000669714420 1037367585 /nfs/dbraw/zinc/36/75/85/1037367585.db2.gz LKUMGKHZJLDEMP-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)n2c1CCCC2 ZINC000669714420 1037367594 /nfs/dbraw/zinc/36/75/94/1037367594.db2.gz LKUMGKHZJLDEMP-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP c1ccc([C@H]2CCC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000488392596 1037561621 /nfs/dbraw/zinc/56/16/21/1037561621.db2.gz QNALJOMYXOXJON-FPOVZHCZSA-N 2 2 335.495 4.366 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469424 1037615755 /nfs/dbraw/zinc/61/57/55/1037615755.db2.gz ZJDCQLKPMPRJKZ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469424 1037615779 /nfs/dbraw/zinc/61/57/79/1037615779.db2.gz ZJDCQLKPMPRJKZ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469424 1037615825 /nfs/dbraw/zinc/61/58/25/1037615825.db2.gz ZJDCQLKPMPRJKZ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469424 1037615833 /nfs/dbraw/zinc/61/58/33/1037615833.db2.gz ZJDCQLKPMPRJKZ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000503572250 1037821567 /nfs/dbraw/zinc/82/15/67/1037821567.db2.gz SLRBROPICRUTPJ-ZZVGLVNZSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000503572250 1037821569 /nfs/dbraw/zinc/82/15/69/1037821569.db2.gz SLRBROPICRUTPJ-ZZVGLVNZSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000503572250 1037821573 /nfs/dbraw/zinc/82/15/73/1037821573.db2.gz SLRBROPICRUTPJ-ZZVGLVNZSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000503572250 1037821576 /nfs/dbraw/zinc/82/15/76/1037821576.db2.gz SLRBROPICRUTPJ-ZZVGLVNZSA-N 2 2 338.417 4.135 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000422856908 1037846889 /nfs/dbraw/zinc/84/68/89/1037846889.db2.gz XLSYVQSTDOADLK-HNNXBMFYSA-N 2 2 325.456 4.056 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+]CCC2CCCCCC2)[nH+]1 ZINC000574199410 1037950241 /nfs/dbraw/zinc/95/02/41/1037950241.db2.gz ZJZMGMWERDTCMX-UHFFFAOYSA-N 2 2 325.500 4.424 20 0 EIADLP Clc1cccc(Cl)c1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423122047 1037968944 /nfs/dbraw/zinc/96/89/44/1037968944.db2.gz JYDLIIISBLXYCV-JAECXMTMSA-N 2 2 325.283 4.317 20 0 EIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423231653 1038070128 /nfs/dbraw/zinc/07/01/28/1038070128.db2.gz AWUFAVGDGZPZFN-BTYIYWSLSA-N 2 2 339.483 4.119 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423395083 1038202587 /nfs/dbraw/zinc/20/25/87/1038202587.db2.gz NCNSIWVJAKWOBS-PDXHDDNESA-N 2 2 349.453 4.051 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2Cl)cc1 ZINC000423396983 1038205152 /nfs/dbraw/zinc/20/51/52/1038205152.db2.gz NYUXOENFZHXXHA-KPOBHBOGSA-N 2 2 344.886 4.026 20 0 EIADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc2ccccc2c1 ZINC000423406890 1038218431 /nfs/dbraw/zinc/21/84/31/1038218431.db2.gz VFRVCJGNGPCDBM-UVUJQTEASA-N 2 2 338.495 4.025 20 0 EIADLP CSc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000641742439 1038270410 /nfs/dbraw/zinc/27/04/10/1038270410.db2.gz LENPVPAYHANAPG-SFHVURJKSA-N 2 2 341.480 4.346 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556823 1038294168 /nfs/dbraw/zinc/29/41/68/1038294168.db2.gz MTILJOCXGVBWKI-BLLLJJGKSA-N 2 2 333.476 4.050 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000608141919 1038647717 /nfs/dbraw/zinc/64/77/17/1038647717.db2.gz LLTWVNRRRZYPFA-QZTJIDSGSA-N 2 2 348.918 4.378 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000608141919 1038647721 /nfs/dbraw/zinc/64/77/21/1038647721.db2.gz LLTWVNRRRZYPFA-QZTJIDSGSA-N 2 2 348.918 4.378 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc2ccccc2c1OC(F)F ZINC000480745741 1038785591 /nfs/dbraw/zinc/78/55/91/1038785591.db2.gz DGRVUZKUAOBCRG-UONOGXRCSA-N 2 2 345.393 4.377 20 0 EIADLP CCCCc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000480746198 1038785987 /nfs/dbraw/zinc/78/59/87/1038785987.db2.gz FVTNINBMMJWUJP-KRWDZBQOSA-N 2 2 325.500 4.455 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ncco1 ZINC000924682275 1038799774 /nfs/dbraw/zinc/79/97/74/1038799774.db2.gz AAGKCYKMMYMUAA-BRWVUGGUSA-N 2 2 327.472 4.003 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ncco1 ZINC000924682294 1038801000 /nfs/dbraw/zinc/80/10/00/1038801000.db2.gz AAGKCYKMMYMUAA-ZACQAIPSSA-N 2 2 327.472 4.003 20 0 EIADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000608582545 1038856843 /nfs/dbraw/zinc/85/68/43/1038856843.db2.gz MXFGVVJLBHBJPC-IBGZPJMESA-N 2 2 347.506 4.121 20 0 EIADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000608582545 1038856847 /nfs/dbraw/zinc/85/68/47/1038856847.db2.gz MXFGVVJLBHBJPC-IBGZPJMESA-N 2 2 347.506 4.121 20 0 EIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@@H]2C=CCCC2)cc1 ZINC000539220519 1038890011 /nfs/dbraw/zinc/89/00/11/1038890011.db2.gz YRSWKSUVDOPPRE-HXUWFJFHSA-N 2 2 339.483 4.283 20 0 EIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2C=CCCC2)cc1 ZINC000539220519 1038890015 /nfs/dbraw/zinc/89/00/15/1038890015.db2.gz YRSWKSUVDOPPRE-HXUWFJFHSA-N 2 2 339.483 4.283 20 0 EIADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000462114982 1038930848 /nfs/dbraw/zinc/93/08/48/1038930848.db2.gz ZYWJQDODZSUSDM-FQEVSTJZSA-N 2 2 346.559 4.267 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3ccc(Cl)cc31)CCC2 ZINC000534238854 1039234831 /nfs/dbraw/zinc/23/48/31/1039234831.db2.gz MPYWLPZWLLBCCV-YJBOKZPZSA-N 2 2 329.875 4.390 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301019 1039267531 /nfs/dbraw/zinc/26/75/31/1039267531.db2.gz WXKVLGFYMPPQLL-PWSUYJOCSA-N 2 2 333.328 4.364 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301019 1039267553 /nfs/dbraw/zinc/26/75/53/1039267553.db2.gz WXKVLGFYMPPQLL-PWSUYJOCSA-N 2 2 333.328 4.364 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667067 1039272167 /nfs/dbraw/zinc/27/21/67/1039272167.db2.gz FLIVWFFRORIAGI-YJBOKZPZSA-N 2 2 329.513 4.409 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036901 1039340143 /nfs/dbraw/zinc/34/01/43/1039340143.db2.gz WHUFFSGJZUONKS-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036901 1039340157 /nfs/dbraw/zinc/34/01/57/1039340157.db2.gz WHUFFSGJZUONKS-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036901 1039340175 /nfs/dbraw/zinc/34/01/75/1039340175.db2.gz WHUFFSGJZUONKS-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036901 1039340187 /nfs/dbraw/zinc/34/01/87/1039340187.db2.gz WHUFFSGJZUONKS-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP Cc1[nH+]c2c(n1C1CCC(c3ccc(Cl)cc3)CC1)CC[NH2+]CC2 ZINC001168344631 1039373331 /nfs/dbraw/zinc/37/33/31/1039373331.db2.gz IJFMQMZOEOVYDT-UHFFFAOYSA-N 2 2 343.902 4.432 20 0 EIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481429146 1039413987 /nfs/dbraw/zinc/41/39/87/1039413987.db2.gz BZHPAKLXZCEFID-AWEZNQCLSA-N 2 2 336.907 4.406 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[NH+](CC[C@H]2CCC[N@H+]2C)C3)cs1 ZINC000093259756 1039650277 /nfs/dbraw/zinc/65/02/77/1039650277.db2.gz OZIPFSYFNWJOFE-OAHLLOKOSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C3)cs1 ZINC000093259756 1039650288 /nfs/dbraw/zinc/65/02/88/1039650288.db2.gz OZIPFSYFNWJOFE-OAHLLOKOSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C3)cs1 ZINC000093259756 1039650300 /nfs/dbraw/zinc/65/03/00/1039650300.db2.gz OZIPFSYFNWJOFE-OAHLLOKOSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CC[C@H]2CCC[NH+]2C)C3)cs1 ZINC000093259756 1039650313 /nfs/dbraw/zinc/65/03/13/1039650313.db2.gz OZIPFSYFNWJOFE-OAHLLOKOSA-N 2 2 347.553 4.022 20 0 EIADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(C)ccc1OC ZINC000093397974 1039684350 /nfs/dbraw/zinc/68/43/50/1039684350.db2.gz CPEYUSHMTHDUMB-IBGZPJMESA-N 2 2 339.483 4.108 20 0 EIADLP CC(C)c1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534880745 1039835525 /nfs/dbraw/zinc/83/55/25/1039835525.db2.gz HUFHMNOWOWCVMP-UHFFFAOYSA-N 2 2 332.536 4.280 20 0 EIADLP CC(C)c1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534880745 1039835526 /nfs/dbraw/zinc/83/55/26/1039835526.db2.gz HUFHMNOWOWCVMP-UHFFFAOYSA-N 2 2 332.536 4.280 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000550990266 1039855337 /nfs/dbraw/zinc/85/53/37/1039855337.db2.gz FZBNQKFQXNIYJC-QZTJIDSGSA-N 2 2 346.421 4.213 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000550990266 1039855338 /nfs/dbraw/zinc/85/53/38/1039855338.db2.gz FZBNQKFQXNIYJC-QZTJIDSGSA-N 2 2 346.421 4.213 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000481987345 1039933065 /nfs/dbraw/zinc/93/30/65/1039933065.db2.gz XEOLNTBCWJADLX-SFHVURJKSA-N 2 2 336.483 4.381 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000481987345 1039933091 /nfs/dbraw/zinc/93/30/91/1039933091.db2.gz XEOLNTBCWJADLX-SFHVURJKSA-N 2 2 336.483 4.381 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087054 1039968797 /nfs/dbraw/zinc/96/87/97/1039968797.db2.gz LMGTZECDBPDIPU-WIBUTAKZSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087054 1039968815 /nfs/dbraw/zinc/96/88/15/1039968815.db2.gz LMGTZECDBPDIPU-WIBUTAKZSA-N 2 2 330.422 4.451 20 0 EIADLP Fc1ccccc1[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000482074512 1039982498 /nfs/dbraw/zinc/98/24/98/1039982498.db2.gz WHXVLYNKSMJYNE-AEFFLSMTSA-N 2 2 339.458 4.115 20 0 EIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000482134405 1040028468 /nfs/dbraw/zinc/02/84/68/1040028468.db2.gz GBEQYBCTVSHBIQ-WBVHZDCISA-N 2 2 347.528 4.393 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000482141075 1040032317 /nfs/dbraw/zinc/03/23/17/1040032317.db2.gz XYTJVGXHGXIBMX-JOTOCRJQSA-N 2 2 341.474 4.158 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000482242172 1040099530 /nfs/dbraw/zinc/09/95/30/1040099530.db2.gz KBXKFUSPARAVCW-AWEZNQCLSA-N 2 2 333.863 4.287 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1Br ZINC000482260507 1040106236 /nfs/dbraw/zinc/10/62/36/1040106236.db2.gz ITSSCSDLTQTJTE-AWEZNQCLSA-N 2 2 348.288 4.387 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1([NH+](C)C)CCC1 ZINC000551287651 1040156240 /nfs/dbraw/zinc/15/62/40/1040156240.db2.gz ABLWKFJLTKUKDD-MRXNPFEDSA-N 2 2 327.516 4.298 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492040 1040402379 /nfs/dbraw/zinc/40/23/79/1040402379.db2.gz UNWMOMVEEKMUSS-MFNRNEDNSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479499019 1040410395 /nfs/dbraw/zinc/41/03/95/1040410395.db2.gz HEKFCDKCNXVAPL-KCNJBTMXSA-N 2 2 332.454 4.206 20 0 EIADLP CC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000479488589 1040419436 /nfs/dbraw/zinc/41/94/36/1040419436.db2.gz JIMSMXDEUIRARH-WNKNEZEQSA-N 2 2 329.532 4.098 20 0 EIADLP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000479488589 1040419440 /nfs/dbraw/zinc/41/94/40/1040419440.db2.gz JIMSMXDEUIRARH-WNKNEZEQSA-N 2 2 329.532 4.098 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3cc4ccncc4s3)CC2)c[nH+]1 ZINC000668165167 1040581583 /nfs/dbraw/zinc/58/15/83/1040581583.db2.gz OJMUPWCAHYAXAL-UHFFFAOYSA-N 2 2 340.496 4.185 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804548 1040599303 /nfs/dbraw/zinc/59/93/03/1040599303.db2.gz ACJGZUKLRWGTQC-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804548 1040599318 /nfs/dbraw/zinc/59/93/18/1040599318.db2.gz ACJGZUKLRWGTQC-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804548 1040599321 /nfs/dbraw/zinc/59/93/21/1040599321.db2.gz ACJGZUKLRWGTQC-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804548 1040599341 /nfs/dbraw/zinc/59/93/41/1040599341.db2.gz ACJGZUKLRWGTQC-CQSZACIVSA-N 2 2 349.931 4.237 20 0 EIADLP CCCCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000551791656 1040606159 /nfs/dbraw/zinc/60/61/59/1040606159.db2.gz SWRIUEBQIHLJRH-QGZVFWFLSA-N 2 2 341.499 4.292 20 0 EIADLP Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000551791003 1040606814 /nfs/dbraw/zinc/60/68/14/1040606814.db2.gz BYKLHAUFCSFGJV-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483133264 1040727795 /nfs/dbraw/zinc/72/77/95/1040727795.db2.gz HPJCDBCYSLNDFG-VFNWGFHPSA-N 2 2 335.426 4.425 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483133263 1040728427 /nfs/dbraw/zinc/72/84/27/1040728427.db2.gz HPJCDBCYSLNDFG-QVKFZJNVSA-N 2 2 335.426 4.425 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cn1 ZINC000515401776 1040731709 /nfs/dbraw/zinc/73/17/09/1040731709.db2.gz ARJWHTGJXMKFBB-KRWDZBQOSA-N 2 2 336.439 4.201 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247787 1040783830 /nfs/dbraw/zinc/78/38/30/1040783830.db2.gz YLHPHEHXKIPWDO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247787 1040783849 /nfs/dbraw/zinc/78/38/49/1040783849.db2.gz YLHPHEHXKIPWDO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247787 1040783868 /nfs/dbraw/zinc/78/38/68/1040783868.db2.gz YLHPHEHXKIPWDO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247787 1040783894 /nfs/dbraw/zinc/78/38/94/1040783894.db2.gz YLHPHEHXKIPWDO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000483255304 1040791293 /nfs/dbraw/zinc/79/12/93/1040791293.db2.gz KBBJMARAYMVUSW-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000483255304 1040791312 /nfs/dbraw/zinc/79/13/12/1040791312.db2.gz KBBJMARAYMVUSW-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255304 1040791321 /nfs/dbraw/zinc/79/13/21/1040791321.db2.gz KBBJMARAYMVUSW-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255304 1040791351 /nfs/dbraw/zinc/79/13/51/1040791351.db2.gz KBBJMARAYMVUSW-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669847157 1040844548 /nfs/dbraw/zinc/84/45/48/1040844548.db2.gz NSDKQJHXRHAQMA-KSSFIOAISA-N 2 2 340.433 4.100 20 0 EIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669847157 1040844554 /nfs/dbraw/zinc/84/45/54/1040844554.db2.gz NSDKQJHXRHAQMA-KSSFIOAISA-N 2 2 340.433 4.100 20 0 EIADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480011122 1040862617 /nfs/dbraw/zinc/86/26/17/1040862617.db2.gz GCDLZSRZRFTKNG-CYBMUJFWSA-N 2 2 332.435 4.087 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(F)cc1 ZINC000483618640 1040914200 /nfs/dbraw/zinc/91/42/00/1040914200.db2.gz GKDLJRAEDLNNTE-HOTGVXAUSA-N 2 2 339.414 4.130 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1C(C)(C)C1(C)C ZINC000537949037 1040915797 /nfs/dbraw/zinc/91/57/97/1040915797.db2.gz PSENQIJAKPRGKC-CVEARBPZSA-N 2 2 329.532 4.267 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1C(C)(C)C1(C)C ZINC000537949038 1040918011 /nfs/dbraw/zinc/91/80/11/1040918011.db2.gz PSENQIJAKPRGKC-HOTGVXAUSA-N 2 2 329.532 4.267 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000483742335 1040995161 /nfs/dbraw/zinc/99/51/61/1040995161.db2.gz FSELFUWIKCXSDA-HOTGVXAUSA-N 2 2 325.481 4.463 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542109 1041027775 /nfs/dbraw/zinc/02/77/75/1041027775.db2.gz YLNQOXCBMAKTCR-WQGACYEGSA-N 2 2 333.476 4.049 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](c1cccnc1)C(C)C)c1ccccc1 ZINC000538060566 1041031408 /nfs/dbraw/zinc/03/14/08/1041031408.db2.gz NNKYZICGTMYVAD-RTWAWAEBSA-N 2 2 325.500 4.451 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062188 1041033422 /nfs/dbraw/zinc/03/34/22/1041033422.db2.gz FXISDYJDKCVLEY-CABCVRRESA-N 2 2 348.922 4.142 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062188 1041033440 /nfs/dbraw/zinc/03/34/40/1041033440.db2.gz FXISDYJDKCVLEY-CABCVRRESA-N 2 2 348.922 4.142 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1csc(-c2ccccc2F)n1 ZINC000462881682 1041066302 /nfs/dbraw/zinc/06/63/02/1041066302.db2.gz PWYMTDNYEOICEZ-LSDHHAIUSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1 ZINC000480201675 1041074827 /nfs/dbraw/zinc/07/48/27/1041074827.db2.gz QLCYOTKYFRJTLT-CVEARBPZSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000480201675 1041074840 /nfs/dbraw/zinc/07/48/40/1041074840.db2.gz QLCYOTKYFRJTLT-CVEARBPZSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480244504 1041101282 /nfs/dbraw/zinc/10/12/82/1041101282.db2.gz HJTGEMSSOMGRAP-AWEZNQCLSA-N 2 2 338.483 4.059 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000484150399 1041142455 /nfs/dbraw/zinc/14/24/55/1041142455.db2.gz CZXARNYNGDRMBL-OALUTQOASA-N 2 2 344.543 4.445 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484180320 1041157350 /nfs/dbraw/zinc/15/73/50/1041157350.db2.gz TXDXPMYBEZGDCY-HDAAZOAOSA-N 2 2 344.543 4.301 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000484306408 1041193557 /nfs/dbraw/zinc/19/35/57/1041193557.db2.gz WPXAPDOBMHOKAL-ZJOUEHCJSA-N 2 2 331.548 4.488 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000484306408 1041193576 /nfs/dbraw/zinc/19/35/76/1041193576.db2.gz WPXAPDOBMHOKAL-ZJOUEHCJSA-N 2 2 331.548 4.488 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1OC(F)(F)F ZINC000484295218 1041200018 /nfs/dbraw/zinc/20/00/18/1041200018.db2.gz UUQNJIYMZADTQH-CYBMUJFWSA-N 2 2 339.361 4.133 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281742 1041240180 /nfs/dbraw/zinc/24/01/80/1041240180.db2.gz QZMQVQWVJGAKCW-LPHOPBHVSA-N 2 2 349.950 4.102 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281742 1041240199 /nfs/dbraw/zinc/24/01/99/1041240199.db2.gz QZMQVQWVJGAKCW-LPHOPBHVSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281742 1041240213 /nfs/dbraw/zinc/24/02/13/1041240213.db2.gz QZMQVQWVJGAKCW-LPHOPBHVSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281742 1041240231 /nfs/dbraw/zinc/24/02/31/1041240231.db2.gz QZMQVQWVJGAKCW-LPHOPBHVSA-N 2 2 349.950 4.102 20 0 EIADLP Clc1sccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000480371259 1041256897 /nfs/dbraw/zinc/25/68/97/1041256897.db2.gz QBJXDZLJDLYABI-INIZCTEOSA-N 2 2 334.916 4.056 20 0 EIADLP Clc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000480371259 1041256914 /nfs/dbraw/zinc/25/69/14/1041256914.db2.gz QBJXDZLJDLYABI-INIZCTEOSA-N 2 2 334.916 4.056 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556217 1041390222 /nfs/dbraw/zinc/39/02/22/1041390222.db2.gz QAZGHOBZPINPMA-PMACEKPBSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556217 1041390232 /nfs/dbraw/zinc/39/02/32/1041390232.db2.gz QAZGHOBZPINPMA-PMACEKPBSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556217 1041390245 /nfs/dbraw/zinc/39/02/45/1041390245.db2.gz QAZGHOBZPINPMA-PMACEKPBSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556217 1041390256 /nfs/dbraw/zinc/39/02/56/1041390256.db2.gz QAZGHOBZPINPMA-PMACEKPBSA-N 2 2 342.527 4.154 20 0 EIADLP Fc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000463196958 1041413141 /nfs/dbraw/zinc/41/31/41/1041413141.db2.gz NTWOEKYRHOEVSY-OAHLLOKOSA-N 2 2 333.838 4.001 20 0 EIADLP Fc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000463196958 1041413149 /nfs/dbraw/zinc/41/31/49/1041413149.db2.gz NTWOEKYRHOEVSY-OAHLLOKOSA-N 2 2 333.838 4.001 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000480604399 1041428995 /nfs/dbraw/zinc/42/89/95/1041428995.db2.gz BFFUWFVSBCMDRW-UHOSZYNNSA-N 2 2 346.515 4.152 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000480604399 1041428997 /nfs/dbraw/zinc/42/89/97/1041428997.db2.gz BFFUWFVSBCMDRW-UHOSZYNNSA-N 2 2 346.515 4.152 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516215008 1041467122 /nfs/dbraw/zinc/46/71/22/1041467122.db2.gz AMZBIIOGFQDKMG-JTHBVZDNSA-N 2 2 334.507 4.387 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516215008 1041467127 /nfs/dbraw/zinc/46/71/27/1041467127.db2.gz AMZBIIOGFQDKMG-JTHBVZDNSA-N 2 2 334.507 4.387 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692198 1041476585 /nfs/dbraw/zinc/47/65/85/1041476585.db2.gz HKZIRYLZQHXVRK-WIYYLYMNSA-N 2 2 341.543 4.408 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692198 1041476588 /nfs/dbraw/zinc/47/65/88/1041476588.db2.gz HKZIRYLZQHXVRK-WIYYLYMNSA-N 2 2 341.543 4.408 20 0 EIADLP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516604179 1041663018 /nfs/dbraw/zinc/66/30/18/1041663018.db2.gz OQDMTICTGSIVHA-QGZVFWFLSA-N 2 2 337.442 4.181 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464090800 1041865634 /nfs/dbraw/zinc/86/56/34/1041865634.db2.gz OWSHGZBBDHJAGO-VQTJNVASSA-N 2 2 344.543 4.048 20 0 EIADLP Fc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)c(F)c1 ZINC000541379085 1041917967 /nfs/dbraw/zinc/91/79/67/1041917967.db2.gz WFXPSQCJXGPZMG-UHFFFAOYSA-N 2 2 345.418 4.381 20 0 EIADLP C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541535791 1041999157 /nfs/dbraw/zinc/99/91/57/1041999157.db2.gz KXKDHSMGYDTUTM-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541535791 1041999164 /nfs/dbraw/zinc/99/91/64/1041999164.db2.gz KXKDHSMGYDTUTM-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP c1cn(-c2cccc(C[NH2+]CCCCCOc3ccccc3)c2)c[nH+]1 ZINC000438082749 1042045573 /nfs/dbraw/zinc/04/55/73/1042045573.db2.gz CDPSVAAEEASTSI-UHFFFAOYSA-N 2 2 335.451 4.211 20 0 EIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000517543007 1042065026 /nfs/dbraw/zinc/06/50/26/1042065026.db2.gz VZRWVCHRCOKKRK-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000517543007 1042065030 /nfs/dbraw/zinc/06/50/30/1042065030.db2.gz VZRWVCHRCOKKRK-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)s2)cc1 ZINC000506397057 1042380260 /nfs/dbraw/zinc/38/02/60/1042380260.db2.gz UPZUVQWLCYJAKR-UHFFFAOYSA-N 2 2 343.540 4.423 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)s2)cc1 ZINC000506397057 1042380266 /nfs/dbraw/zinc/38/02/66/1042380266.db2.gz UPZUVQWLCYJAKR-UHFFFAOYSA-N 2 2 343.540 4.423 20 0 EIADLP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000518275752 1042448560 /nfs/dbraw/zinc/44/85/60/1042448560.db2.gz RGFCYLPRTBLWMQ-SFHVURJKSA-N 2 2 335.451 4.046 20 0 EIADLP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000303698008 1042498357 /nfs/dbraw/zinc/49/83/57/1042498357.db2.gz YQNNVVQBHWWOHX-UHFFFAOYSA-N 2 2 332.850 4.233 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)CC1 ZINC000506645554 1042726136 /nfs/dbraw/zinc/72/61/36/1042726136.db2.gz JIMSKPFBFRSGOE-UHFFFAOYSA-N 2 2 348.531 4.036 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)CC1 ZINC000506645554 1042726145 /nfs/dbraw/zinc/72/61/45/1042726145.db2.gz JIMSKPFBFRSGOE-UHFFFAOYSA-N 2 2 348.531 4.036 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000506690003 1042780960 /nfs/dbraw/zinc/78/09/60/1042780960.db2.gz PFYXNRYESYBQTN-UHFFFAOYSA-N 2 2 338.495 4.278 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000506690003 1042780967 /nfs/dbraw/zinc/78/09/67/1042780967.db2.gz PFYXNRYESYBQTN-UHFFFAOYSA-N 2 2 338.495 4.278 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000493901007 1042979746 /nfs/dbraw/zinc/97/97/46/1042979746.db2.gz QJYMXHDVLDGUDI-VBSBHUPXSA-N 2 2 342.527 4.053 20 0 EIADLP FC(F)(F)c1ccccc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343322499 1043009995 /nfs/dbraw/zinc/00/99/95/1043009995.db2.gz QPJMDBBXHRZHRQ-UHFFFAOYSA-N 2 2 337.389 4.172 20 0 EIADLP Cc1nc2ccc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cc2s1 ZINC000494081418 1043015393 /nfs/dbraw/zinc/01/53/93/1043015393.db2.gz YRLZWYQQFBJKGE-UHFFFAOYSA-N 2 2 334.448 4.080 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(Cc2coc(-c3ccccc3)n2)c2cccc[nH+]2)CC1 ZINC000895112937 1043032669 /nfs/dbraw/zinc/03/26/69/1043032669.db2.gz ZFFYSTZRKCXVGW-UAPYVXQJSA-N 2 2 348.450 4.013 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811806 1043053152 /nfs/dbraw/zinc/05/31/52/1043053152.db2.gz KMWAODLZCAUNHQ-APWZRJJASA-N 2 2 328.456 4.234 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811806 1043053162 /nfs/dbraw/zinc/05/31/62/1043053162.db2.gz KMWAODLZCAUNHQ-APWZRJJASA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811806 1043053174 /nfs/dbraw/zinc/05/31/74/1043053174.db2.gz KMWAODLZCAUNHQ-APWZRJJASA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811806 1043053186 /nfs/dbraw/zinc/05/31/86/1043053186.db2.gz KMWAODLZCAUNHQ-APWZRJJASA-N 2 2 328.456 4.234 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000507970181 1043213284 /nfs/dbraw/zinc/21/32/84/1043213284.db2.gz ZSCABZPBWHOSFY-VAMGGRTRSA-N 2 2 344.543 4.302 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427840570 1043222051 /nfs/dbraw/zinc/22/20/51/1043222051.db2.gz GTQBTCPDWSGDJR-RDJZCZTQSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427840570 1043222063 /nfs/dbraw/zinc/22/20/63/1043222063.db2.gz GTQBTCPDWSGDJR-RDJZCZTQSA-N 2 2 328.422 4.362 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000427876580 1043234789 /nfs/dbraw/zinc/23/47/89/1043234789.db2.gz VZHXGDARVVZOKT-DZGCQCFKSA-N 2 2 333.888 4.068 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2ccccc2)c1 ZINC000427865201 1043239696 /nfs/dbraw/zinc/23/96/96/1043239696.db2.gz HFFCKARAAAILRM-YLJYHZDGSA-N 2 2 347.462 4.128 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276405 1043580232 /nfs/dbraw/zinc/58/02/32/1043580232.db2.gz BWEGAPQQWKEFCM-UDBNUGGLSA-N 2 2 347.915 4.175 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC(CCCn3cc[nH+]c3)CC1)CC2 ZINC000543060335 1043699421 /nfs/dbraw/zinc/69/94/21/1043699421.db2.gz GHSLHDIBFJOHCI-HXUWFJFHSA-N 2 2 327.447 4.202 20 0 EIADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2n1 ZINC000543060359 1043701623 /nfs/dbraw/zinc/70/16/23/1043701623.db2.gz DBSGIKHQIMBEPF-UHFFFAOYSA-N 2 2 348.494 4.432 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059811 1043707083 /nfs/dbraw/zinc/70/70/83/1043707083.db2.gz HLWWTNGTUWWAFC-HNNXBMFYSA-N 2 2 333.426 4.415 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442711992 1043814211 /nfs/dbraw/zinc/81/42/11/1043814211.db2.gz TZOXRPXOOZISIL-KMFMINBZSA-N 2 2 337.389 4.216 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677351 1043814601 /nfs/dbraw/zinc/81/46/01/1043814601.db2.gz MVNRKYQCBXPFHV-IBGZPJMESA-N 2 2 341.499 4.191 20 0 EIADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000665295209 1043845963 /nfs/dbraw/zinc/84/59/63/1043845963.db2.gz AIOBCZDCCHEOFU-FZMZJTMJSA-N 2 2 335.904 4.038 20 0 EIADLP c1ccc2sc([C@H]3CCC[N@H+]3CCC[NH+]3CCCCC3)nc2c1 ZINC000193464774 1044062329 /nfs/dbraw/zinc/06/23/29/1044062329.db2.gz DTZHMHZQQFDFKZ-QGZVFWFLSA-N 2 2 329.513 4.309 20 0 EIADLP c1ccc2sc([C@H]3CCC[N@@H+]3CCC[NH+]3CCCCC3)nc2c1 ZINC000193464774 1044062346 /nfs/dbraw/zinc/06/23/46/1044062346.db2.gz DTZHMHZQQFDFKZ-QGZVFWFLSA-N 2 2 329.513 4.309 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319507 1044305468 /nfs/dbraw/zinc/30/54/68/1044305468.db2.gz DJQVHCABDBLOTM-FUHWJXTLSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319507 1044305478 /nfs/dbraw/zinc/30/54/78/1044305478.db2.gz DJQVHCABDBLOTM-FUHWJXTLSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018150 1044321519 /nfs/dbraw/zinc/32/15/19/1044321519.db2.gz YUBJRCBIKSYUSO-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018150 1044321528 /nfs/dbraw/zinc/32/15/28/1044321528.db2.gz YUBJRCBIKSYUSO-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1 ZINC000348048576 1044374148 /nfs/dbraw/zinc/37/41/48/1044374148.db2.gz VTDWQVCUHOGCMK-HNNXBMFYSA-N 2 2 345.450 4.216 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)CCC2 ZINC000348085156 1044389405 /nfs/dbraw/zinc/38/94/05/1044389405.db2.gz MISDYHRFXKOIAV-DZGCQCFKSA-N 2 2 348.288 4.182 20 0 EIADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192379 1044399405 /nfs/dbraw/zinc/39/94/05/1044399405.db2.gz UDVXQKHKDWRSFR-UZUQRXQVSA-N 2 2 349.522 4.245 20 0 EIADLP Clc1cccc2c1SCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359083147 1044443491 /nfs/dbraw/zinc/44/34/91/1044443491.db2.gz OWZXDKOFTVIBKH-MQBCKMQZSA-N 2 2 336.932 4.483 20 0 EIADLP CCOc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675919252 1044561130 /nfs/dbraw/zinc/56/11/30/1044561130.db2.gz LPYHKKNHANNYJU-UWJYYQICSA-N 2 2 349.478 4.453 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920474 1044563277 /nfs/dbraw/zinc/56/32/77/1044563277.db2.gz RVKUANQJTKTTKF-OXJNMPFZSA-N 2 2 335.451 4.063 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000675923055 1044567151 /nfs/dbraw/zinc/56/71/51/1044567151.db2.gz RGWKDWXGLVZMFC-UXHICEINSA-N 2 2 335.426 4.120 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024363 1044616127 /nfs/dbraw/zinc/61/61/27/1044616127.db2.gz FQSDWTKSFKSVKV-HGKCTWBKSA-N 2 2 342.458 4.063 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024363 1044616135 /nfs/dbraw/zinc/61/61/35/1044616135.db2.gz FQSDWTKSFKSVKV-HGKCTWBKSA-N 2 2 342.458 4.063 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000191479827 1044630606 /nfs/dbraw/zinc/63/06/06/1044630606.db2.gz YNRFFEGTZKIEDG-UHFFFAOYSA-N 2 2 344.484 4.074 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000191479827 1044630621 /nfs/dbraw/zinc/63/06/21/1044630621.db2.gz YNRFFEGTZKIEDG-UHFFFAOYSA-N 2 2 344.484 4.074 20 0 EIADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203154 1044789405 /nfs/dbraw/zinc/78/94/05/1044789405.db2.gz UVQRITFALGIGBB-KBXCAEBGSA-N 2 2 330.859 4.126 20 0 EIADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203154 1044789424 /nfs/dbraw/zinc/78/94/24/1044789424.db2.gz UVQRITFALGIGBB-KBXCAEBGSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203154 1044789445 /nfs/dbraw/zinc/78/94/45/1044789445.db2.gz UVQRITFALGIGBB-KBXCAEBGSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203154 1044789469 /nfs/dbraw/zinc/78/94/69/1044789469.db2.gz UVQRITFALGIGBB-KBXCAEBGSA-N 2 2 330.859 4.126 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000474272936 1044831536 /nfs/dbraw/zinc/83/15/36/1044831536.db2.gz LKCYXQYWQVDLIW-CQSZACIVSA-N 2 2 326.937 4.224 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000474272936 1044831538 /nfs/dbraw/zinc/83/15/38/1044831538.db2.gz LKCYXQYWQVDLIW-CQSZACIVSA-N 2 2 326.937 4.224 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC001168485472 1044875569 /nfs/dbraw/zinc/87/55/69/1044875569.db2.gz GAMFGWMESOSCKU-DENIHFKCSA-N 2 2 347.462 4.130 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912123 1044979868 /nfs/dbraw/zinc/97/98/68/1044979868.db2.gz DJYSTDCUTCZZFI-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912123 1044979884 /nfs/dbraw/zinc/97/98/84/1044979884.db2.gz DJYSTDCUTCZZFI-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000347912123 1044979895 /nfs/dbraw/zinc/97/98/95/1044979895.db2.gz DJYSTDCUTCZZFI-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000347912123 1044979906 /nfs/dbraw/zinc/97/99/06/1044979906.db2.gz DJYSTDCUTCZZFI-FYYLOGMGSA-N 2 2 349.522 4.131 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000673626673 1045047887 /nfs/dbraw/zinc/04/78/87/1045047887.db2.gz BQYLHFUBRFRVOB-KUHUBIRLSA-N 2 2 341.405 4.333 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(C)o1 ZINC000495415508 1045068825 /nfs/dbraw/zinc/06/88/25/1045068825.db2.gz QSBKIPJVZAWWLV-UXPWSPDFSA-N 2 2 348.531 4.298 20 0 EIADLP COC1(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000429428837 1045128398 /nfs/dbraw/zinc/12/83/98/1045128398.db2.gz JSTSQGIUZIRWFB-ICSRJNTNSA-N 2 2 341.499 4.179 20 0 EIADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000626062538 1045165392 /nfs/dbraw/zinc/16/53/92/1045165392.db2.gz WESXYHBEGPJFHD-OAHLLOKOSA-N 2 2 344.503 4.012 20 0 EIADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000626062538 1045165397 /nfs/dbraw/zinc/16/53/97/1045165397.db2.gz WESXYHBEGPJFHD-OAHLLOKOSA-N 2 2 344.503 4.012 20 0 EIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361925188 1045167075 /nfs/dbraw/zinc/16/70/75/1045167075.db2.gz HXJYOHYRBXFESX-HNNXBMFYSA-N 2 2 333.888 4.364 20 0 EIADLP C[N@H+](Cc1ccc(C(F)F)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638032336 1045483276 /nfs/dbraw/zinc/48/32/76/1045483276.db2.gz YSQZQQYIMTXEQM-UHFFFAOYSA-N 2 2 345.437 4.116 20 0 EIADLP C[N@@H+](Cc1ccc(C(F)F)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638032336 1045483285 /nfs/dbraw/zinc/48/32/85/1045483285.db2.gz YSQZQQYIMTXEQM-UHFFFAOYSA-N 2 2 345.437 4.116 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CC[C@@H](C)C2)CC3)cs1 ZINC001170139366 1045523928 /nfs/dbraw/zinc/52/39/28/1045523928.db2.gz URSYXSAQGUOTSQ-QAPCUYQASA-N 2 2 333.545 4.071 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CC[C@@H](C)C2)CC3)cs1 ZINC001170139366 1045523942 /nfs/dbraw/zinc/52/39/42/1045523942.db2.gz URSYXSAQGUOTSQ-QAPCUYQASA-N 2 2 333.545 4.071 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC001170206851 1045926532 /nfs/dbraw/zinc/92/65/32/1045926532.db2.gz YKFNMKUOCIYYOS-QFIPXVFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC001170206851 1045926555 /nfs/dbraw/zinc/92/65/55/1045926555.db2.gz YKFNMKUOCIYYOS-QFIPXVFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001170206851 1045926572 /nfs/dbraw/zinc/92/65/72/1045926572.db2.gz YKFNMKUOCIYYOS-QFIPXVFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC001170206851 1045926586 /nfs/dbraw/zinc/92/65/86/1045926586.db2.gz YKFNMKUOCIYYOS-QFIPXVFZSA-N 2 2 338.470 4.232 20 0 EIADLP Clc1cc(Cl)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000237837339 1046002064 /nfs/dbraw/zinc/00/20/64/1046002064.db2.gz MDFRVHWVKFVVOQ-UHFFFAOYSA-N 2 2 332.234 4.469 20 0 EIADLP COc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1C ZINC001170337800 1046017414 /nfs/dbraw/zinc/01/74/14/1046017414.db2.gz ZGTQEMUWAOAJBI-LDLYASANSA-N 2 2 337.467 4.006 20 0 EIADLP COc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c1C ZINC001170337800 1046017431 /nfs/dbraw/zinc/01/74/31/1046017431.db2.gz ZGTQEMUWAOAJBI-LDLYASANSA-N 2 2 337.467 4.006 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000747100092 1046132624 /nfs/dbraw/zinc/13/26/24/1046132624.db2.gz QQHSBELGAFPSAW-IAGOWNOFSA-N 2 2 335.451 4.163 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649393 1046153719 /nfs/dbraw/zinc/15/37/19/1046153719.db2.gz WHLOMIRQZIBITL-MNOVXSKESA-N 2 2 331.262 4.267 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649393 1046153722 /nfs/dbraw/zinc/15/37/22/1046153722.db2.gz WHLOMIRQZIBITL-MNOVXSKESA-N 2 2 331.262 4.267 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126667627 1046512524 /nfs/dbraw/zinc/51/25/24/1046512524.db2.gz FCNJIUCDQWMWQU-LBPRGKRZSA-N 2 2 343.284 4.113 20 0 EIADLP COc1ccc2cc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)[nH+]cc2c1 ZINC001170452581 1046524814 /nfs/dbraw/zinc/52/48/14/1046524814.db2.gz DMLGLEURMAJIHM-UHFFFAOYSA-N 2 2 327.472 4.307 20 0 EIADLP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459439440 1046685342 /nfs/dbraw/zinc/68/53/42/1046685342.db2.gz TWPSSQMUPLLNQH-JOCHJYFZSA-N 2 2 338.470 4.326 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000459565616 1046785958 /nfs/dbraw/zinc/78/59/58/1046785958.db2.gz RHVOOLMCAMXZIF-SFHVURJKSA-N 2 2 347.462 4.041 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000536875699 1046837390 /nfs/dbraw/zinc/83/73/90/1046837390.db2.gz ITEVBPMBXHCUAC-ORYQWCPZSA-N 2 2 348.506 4.146 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000925305344 1046878846 /nfs/dbraw/zinc/87/88/46/1046878846.db2.gz BTYNSVYWYVCOGS-HNNXBMFYSA-N 2 2 327.472 4.255 20 0 EIADLP CCOc1ccc(C[N@@H+](CC=C(C)C)CCCn2cc[nH+]c2)cc1 ZINC000537020223 1046899038 /nfs/dbraw/zinc/89/90/38/1046899038.db2.gz MZBWCOYVNARWJF-UHFFFAOYSA-N 2 2 327.472 4.140 20 0 EIADLP CCOc1ccc(C[N@H+](CC=C(C)C)CCCn2cc[nH+]c2)cc1 ZINC000537020223 1046899046 /nfs/dbraw/zinc/89/90/46/1046899046.db2.gz MZBWCOYVNARWJF-UHFFFAOYSA-N 2 2 327.472 4.140 20 0 EIADLP CC(C)CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170081370 1047099059 /nfs/dbraw/zinc/09/90/59/1047099059.db2.gz OBNSXUHGGHODKT-QZTJIDSGSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001170081370 1047099090 /nfs/dbraw/zinc/09/90/90/1047099090.db2.gz OBNSXUHGGHODKT-QZTJIDSGSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170081370 1047099075 /nfs/dbraw/zinc/09/90/75/1047099075.db2.gz OBNSXUHGGHODKT-QZTJIDSGSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001170081370 1047099105 /nfs/dbraw/zinc/09/91/05/1047099105.db2.gz OBNSXUHGGHODKT-QZTJIDSGSA-N 2 2 334.552 4.315 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[N@@H+](C)Cc1ccccc1 ZINC000788612647 1047248956 /nfs/dbraw/zinc/24/89/56/1047248956.db2.gz QFEVZPHMDPHDEC-QAPCUYQASA-N 2 2 343.902 4.223 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[N@H+](C)Cc1ccccc1 ZINC000788612647 1047248946 /nfs/dbraw/zinc/24/89/46/1047248946.db2.gz QFEVZPHMDPHDEC-QAPCUYQASA-N 2 2 343.902 4.223 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788987414 1047343156 /nfs/dbraw/zinc/34/31/56/1047343156.db2.gz LTRSTYUFTCWFQM-OAQYLSRUSA-N 2 2 347.462 4.393 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120192 1047473178 /nfs/dbraw/zinc/47/31/78/1047473178.db2.gz LMGTZECDBPDIPU-NQYLQCIDSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120192 1047473185 /nfs/dbraw/zinc/47/31/85/1047473185.db2.gz LMGTZECDBPDIPU-NQYLQCIDSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn2ccccc2n1 ZINC000556236314 1047602835 /nfs/dbraw/zinc/60/28/35/1047602835.db2.gz QDCHYVBMDQTASQ-ROUUACIJSA-N 2 2 348.494 4.211 20 0 EIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170731953 1047874566 /nfs/dbraw/zinc/87/45/66/1047874566.db2.gz VBUNIHJQEWAKFC-OWZKRDHZSA-N 2 2 330.491 4.123 20 0 EIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000556858047 1048075150 /nfs/dbraw/zinc/07/51/50/1048075150.db2.gz HOKIMPHUARCYLT-MRXNPFEDSA-N 2 2 341.377 4.303 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131851195 1048160261 /nfs/dbraw/zinc/16/02/61/1048160261.db2.gz OWYINIUGASQWER-HQRMLTQVSA-N 2 2 341.499 4.364 20 0 EIADLP CC(C)[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CC[NH+](C)CC1 ZINC001143792712 1048206169 /nfs/dbraw/zinc/20/61/69/1048206169.db2.gz ARKIRNJICLCZGC-UHFFFAOYSA-N 2 2 348.384 4.029 20 0 EIADLP CC(C)[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CC[NH+](C)CC1 ZINC001143792712 1048206184 /nfs/dbraw/zinc/20/61/84/1048206184.db2.gz ARKIRNJICLCZGC-UHFFFAOYSA-N 2 2 348.384 4.029 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(C(C)(C)C)C3)CC2)cc1 ZINC000815146409 1048368316 /nfs/dbraw/zinc/36/83/16/1048368316.db2.gz GZMWSCYRFPPBRY-UHFFFAOYSA-N 2 2 329.532 4.136 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000515315595 1048373555 /nfs/dbraw/zinc/37/35/55/1048373555.db2.gz HWVDPVVKKRVIOB-MOPGFXCFSA-N 2 2 344.886 4.274 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000515315595 1048373566 /nfs/dbraw/zinc/37/35/66/1048373566.db2.gz HWVDPVVKKRVIOB-MOPGFXCFSA-N 2 2 344.886 4.274 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576096 1048516505 /nfs/dbraw/zinc/51/65/05/1048516505.db2.gz JIEIFKOYYBCREI-BBWFWOEESA-N 2 2 348.556 4.091 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576096 1048516520 /nfs/dbraw/zinc/51/65/20/1048516520.db2.gz JIEIFKOYYBCREI-BBWFWOEESA-N 2 2 348.556 4.091 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815649922 1048573138 /nfs/dbraw/zinc/57/31/38/1048573138.db2.gz CGCKFFSCCZHANO-HOCLYGCPSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815649922 1048573153 /nfs/dbraw/zinc/57/31/53/1048573153.db2.gz CGCKFFSCCZHANO-HOCLYGCPSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000809968788 1048576243 /nfs/dbraw/zinc/57/62/43/1048576243.db2.gz HXYDTYRUJOBJFI-HNNXBMFYSA-N 2 2 329.875 4.415 20 0 EIADLP CNc1ccc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c[nH+]1 ZINC001170590894 1048584228 /nfs/dbraw/zinc/58/42/28/1048584228.db2.gz ZXIQWPDCMSXEMR-HNNXBMFYSA-N 2 2 339.270 4.145 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171172186 1048625554 /nfs/dbraw/zinc/62/55/54/1048625554.db2.gz MDXOQFATGSQCKB-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171172186 1048625564 /nfs/dbraw/zinc/62/55/64/1048625564.db2.gz MDXOQFATGSQCKB-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP CCCCCCOc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171007 1048654141 /nfs/dbraw/zinc/65/41/41/1048654141.db2.gz DIEIZQDYRNMUTH-QGZVFWFLSA-N 2 2 327.472 4.016 20 0 EIADLP COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001144489382 1048695194 /nfs/dbraw/zinc/69/51/94/1048695194.db2.gz GFOLPKYAFBYPQX-UHFFFAOYSA-N 2 2 341.842 4.166 20 0 EIADLP COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001144489382 1048695199 /nfs/dbraw/zinc/69/51/99/1048695199.db2.gz GFOLPKYAFBYPQX-UHFFFAOYSA-N 2 2 341.842 4.166 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170601267 1048727887 /nfs/dbraw/zinc/72/78/87/1048727887.db2.gz YHOKHJKZCUYDEK-ZJOUEHCJSA-N 2 2 329.532 4.194 20 0 EIADLP Clc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001170916604 1049213537 /nfs/dbraw/zinc/21/35/37/1049213537.db2.gz OMNXBAXCBLZYPT-SFHVURJKSA-N 2 2 332.919 4.148 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cccc(Cl)c3C2)c1 ZINC001170919324 1049239114 /nfs/dbraw/zinc/23/91/14/1049239114.db2.gz YIILOWZVEFKRHC-QGZVFWFLSA-N 2 2 337.854 4.392 20 0 EIADLP CCCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000812838330 1049603701 /nfs/dbraw/zinc/60/37/01/1049603701.db2.gz OGXNNZJMTLFVOJ-UHFFFAOYSA-N 2 2 329.532 4.281 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H]1C ZINC000812841587 1049605605 /nfs/dbraw/zinc/60/56/05/1049605605.db2.gz CRCVXRMXNNYCLM-AOIWGVFYSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821403110 1049631701 /nfs/dbraw/zinc/63/17/01/1049631701.db2.gz YXUXMFBYWIAXEJ-WMZOPIPTSA-N 2 2 325.456 4.015 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)C2 ZINC001171579161 1049760246 /nfs/dbraw/zinc/76/02/46/1049760246.db2.gz OGHLYPFCJKVYPB-NRFANRHFSA-N 2 2 326.528 4.191 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)C2 ZINC001171579161 1049760255 /nfs/dbraw/zinc/76/02/55/1049760255.db2.gz OGHLYPFCJKVYPB-NRFANRHFSA-N 2 2 326.528 4.191 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001171670756 1049774514 /nfs/dbraw/zinc/77/45/14/1049774514.db2.gz KCBJYMRAPIASFF-QGZVFWFLSA-N 2 2 349.453 4.482 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001171670756 1049774518 /nfs/dbraw/zinc/77/45/18/1049774518.db2.gz KCBJYMRAPIASFF-QGZVFWFLSA-N 2 2 349.453 4.482 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001171963380 1049825081 /nfs/dbraw/zinc/82/50/81/1049825081.db2.gz IDHRTWMZWNMSPA-PBHICJAKSA-N 2 2 342.449 4.346 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001171963380 1049825084 /nfs/dbraw/zinc/82/50/84/1049825084.db2.gz IDHRTWMZWNMSPA-PBHICJAKSA-N 2 2 342.449 4.346 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cnc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171962326 1049825168 /nfs/dbraw/zinc/82/51/68/1049825168.db2.gz CJGDFVXDLDPALL-HNNXBMFYSA-N 2 2 349.931 4.329 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cnc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC001171962326 1049825169 /nfs/dbraw/zinc/82/51/69/1049825169.db2.gz CJGDFVXDLDPALL-HNNXBMFYSA-N 2 2 349.931 4.329 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001171963519 1049825462 /nfs/dbraw/zinc/82/54/62/1049825462.db2.gz IDHRTWMZWNMSPA-YOEHRIQHSA-N 2 2 342.449 4.346 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001171963519 1049825465 /nfs/dbraw/zinc/82/54/65/1049825465.db2.gz IDHRTWMZWNMSPA-YOEHRIQHSA-N 2 2 342.449 4.346 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171965746 1049827029 /nfs/dbraw/zinc/82/70/29/1049827029.db2.gz RFKARWXCXXRPSF-LJQANCHMSA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171965746 1049827033 /nfs/dbraw/zinc/82/70/33/1049827033.db2.gz RFKARWXCXXRPSF-LJQANCHMSA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cnccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171966718 1049827675 /nfs/dbraw/zinc/82/76/75/1049827675.db2.gz WHCRFZBPFPZUPZ-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cnccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171966718 1049827679 /nfs/dbraw/zinc/82/76/79/1049827679.db2.gz WHCRFZBPFPZUPZ-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]C2(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977199 1049837646 /nfs/dbraw/zinc/83/76/46/1049837646.db2.gz YHKRTBBEMLWOFN-HXUWFJFHSA-N 2 2 335.495 4.104 20 0 EIADLP CC1(C)C[C@H]([NH2+]C2(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977199 1049837649 /nfs/dbraw/zinc/83/76/49/1049837649.db2.gz YHKRTBBEMLWOFN-HXUWFJFHSA-N 2 2 335.495 4.104 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4ncccc4C2)C3)cc1 ZINC001172074741 1049843907 /nfs/dbraw/zinc/84/39/07/1049843907.db2.gz LUODPHPJUDSUIE-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4ncccc4C2)C3)cc1 ZINC001172074741 1049843908 /nfs/dbraw/zinc/84/39/08/1049843908.db2.gz LUODPHPJUDSUIE-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCc4ncccc4C2)C3)cc1 ZINC001172074741 1049843911 /nfs/dbraw/zinc/84/39/11/1049843911.db2.gz LUODPHPJUDSUIE-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCc4ncccc4C2)C3)cc1 ZINC001172074741 1049843916 /nfs/dbraw/zinc/84/39/16/1049843916.db2.gz LUODPHPJUDSUIE-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2COc4ccccc42)C3)cc1 ZINC001172074030 1049844280 /nfs/dbraw/zinc/84/42/80/1049844280.db2.gz SUJBJOMWBCBKRG-IIZPIQPGSA-N 2 2 348.490 4.295 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2COc4ccccc42)C3)cc1 ZINC001172074030 1049844285 /nfs/dbraw/zinc/84/42/85/1049844285.db2.gz SUJBJOMWBCBKRG-IIZPIQPGSA-N 2 2 348.490 4.295 20 0 EIADLP C[N@H+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079982 1049846663 /nfs/dbraw/zinc/84/66/63/1049846663.db2.gz RRBNDMRVXHENTH-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079982 1049846665 /nfs/dbraw/zinc/84/66/65/1049846665.db2.gz RRBNDMRVXHENTH-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079982 1049846668 /nfs/dbraw/zinc/84/66/68/1049846668.db2.gz RRBNDMRVXHENTH-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079982 1049846671 /nfs/dbraw/zinc/84/66/71/1049846671.db2.gz RRBNDMRVXHENTH-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3c(Cl)cccc3C2)cc1 ZINC001171033276 1049877467 /nfs/dbraw/zinc/87/74/67/1049877467.db2.gz MIZLBNBUSYVBLX-KRWDZBQOSA-N 2 2 337.854 4.392 20 0 EIADLP Clc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171033589 1049882072 /nfs/dbraw/zinc/88/20/72/1049882072.db2.gz OFOAFUFYRNPRFO-GOSISDBHSA-N 2 2 332.919 4.148 20 0 EIADLP CC(C)OCC[C@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001172453187 1049914889 /nfs/dbraw/zinc/91/48/89/1049914889.db2.gz FHYZQFRPFQKOKQ-XBJCXQGOSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001172453187 1049914893 /nfs/dbraw/zinc/91/48/93/1049914893.db2.gz FHYZQFRPFQKOKQ-XBJCXQGOSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172453187 1049914899 /nfs/dbraw/zinc/91/48/99/1049914899.db2.gz FHYZQFRPFQKOKQ-XBJCXQGOSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172453187 1049914904 /nfs/dbraw/zinc/91/49/04/1049914904.db2.gz FHYZQFRPFQKOKQ-XBJCXQGOSA-N 2 2 346.559 4.085 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172574567 1049941899 /nfs/dbraw/zinc/94/18/99/1049941899.db2.gz ZYGJRRSHCZINEG-DOMZBBRYSA-N 2 2 342.861 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172574567 1049941902 /nfs/dbraw/zinc/94/19/02/1049941902.db2.gz ZYGJRRSHCZINEG-DOMZBBRYSA-N 2 2 342.861 4.013 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248540280 1050063894 /nfs/dbraw/zinc/06/38/94/1050063894.db2.gz BFQSOWOJOFKPCJ-KGLIPLIRSA-N 2 2 335.854 4.228 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248540280 1050063902 /nfs/dbraw/zinc/06/39/02/1050063902.db2.gz BFQSOWOJOFKPCJ-KGLIPLIRSA-N 2 2 335.854 4.228 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000324874709 1050144055 /nfs/dbraw/zinc/14/40/55/1050144055.db2.gz QFGNYWBZEKKPMP-LJQANCHMSA-N 2 2 329.488 4.267 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC001177186018 1050166578 /nfs/dbraw/zinc/16/65/78/1050166578.db2.gz BAIQNFGAXXJSEV-OAQYLSRUSA-N 2 2 334.467 4.099 20 0 EIADLP c1ccc(CC2CCC(N(c3cccc[nH+]3)C3CC[NH2+]CC3)CC2)cc1 ZINC001172825405 1050167207 /nfs/dbraw/zinc/16/72/07/1050167207.db2.gz VFOAYGBULAHPAN-UHFFFAOYSA-N 2 2 349.522 4.442 20 0 EIADLP c1cc2c(cc1C[NH2+]CC1([NH+]3CCSCC3)CCCC1)CCCC2 ZINC001177251097 1050174835 /nfs/dbraw/zinc/17/48/35/1050174835.db2.gz SWLYUOAKNYZZTC-UHFFFAOYSA-N 2 2 344.568 4.017 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172839091 1050177917 /nfs/dbraw/zinc/17/79/17/1050177917.db2.gz AYKBUUYBLKFRTH-OAHLLOKOSA-N 2 2 346.877 4.132 20 0 EIADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001177442851 1050222600 /nfs/dbraw/zinc/22/26/00/1050222600.db2.gz WSWSVLHVMLOBRA-KSEOMHKRSA-N 2 2 344.543 4.254 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC001212689643 1050228397 /nfs/dbraw/zinc/22/83/97/1050228397.db2.gz GUWQXACGMMSCRM-UHFFFAOYSA-N 2 2 332.451 4.425 20 0 EIADLP Clc1ccc(OCC2CC2)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001177935903 1050341289 /nfs/dbraw/zinc/34/12/89/1050341289.db2.gz CFLNWCCELOGZJA-UHFFFAOYSA-N 2 2 345.874 4.116 20 0 EIADLP CCSC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001173305010 1050401722 /nfs/dbraw/zinc/40/17/22/1050401722.db2.gz HDMJBDYVXCRSOO-CQSZACIVSA-N 2 2 341.480 4.135 20 0 EIADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CCCC1 ZINC001178449520 1050462487 /nfs/dbraw/zinc/46/24/87/1050462487.db2.gz ROOXHOMAKFNMOW-UHFFFAOYSA-N 2 2 328.456 4.284 20 0 EIADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001178800626 1050558106 /nfs/dbraw/zinc/55/81/06/1050558106.db2.gz GNNMOIMBOIVOLV-UHFFFAOYSA-N 2 2 338.470 4.457 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)[NH+](CC)CC)cc1 ZINC001178827217 1050564712 /nfs/dbraw/zinc/56/47/12/1050564712.db2.gz MSKZFNRJOPVQIH-ACRUOGEOSA-N 2 2 332.532 4.179 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001179044660 1050615994 /nfs/dbraw/zinc/61/59/94/1050615994.db2.gz MEZMLRKTWSKRAD-JKSUJKDBSA-N 2 2 344.446 4.405 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001179044660 1050615998 /nfs/dbraw/zinc/61/59/98/1050615998.db2.gz MEZMLRKTWSKRAD-JKSUJKDBSA-N 2 2 344.446 4.405 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753221 1050678532 /nfs/dbraw/zinc/67/85/32/1050678532.db2.gz MWVKRALCKOSBHX-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753221 1050678540 /nfs/dbraw/zinc/67/85/40/1050678540.db2.gz MWVKRALCKOSBHX-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753221 1050678546 /nfs/dbraw/zinc/67/85/46/1050678546.db2.gz MWVKRALCKOSBHX-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753221 1050678556 /nfs/dbraw/zinc/67/85/56/1050678556.db2.gz MWVKRALCKOSBHX-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP Cc1cc(C)c(/C=C/C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)c(C)c1 ZINC001179636619 1050744567 /nfs/dbraw/zinc/74/45/67/1050744567.db2.gz IYFKWWRIEYUVCU-FGBWHXJSSA-N 2 2 337.511 4.303 20 0 EIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC001179829266 1050801702 /nfs/dbraw/zinc/80/17/02/1050801702.db2.gz BDOYGLCOYSHLBJ-GFCCVEGCSA-N 2 2 347.728 4.313 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926357 1050819032 /nfs/dbraw/zinc/81/90/32/1050819032.db2.gz XPIBKRJOPXMBMJ-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926357 1050819036 /nfs/dbraw/zinc/81/90/36/1050819036.db2.gz XPIBKRJOPXMBMJ-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926357 1050819040 /nfs/dbraw/zinc/81/90/40/1050819040.db2.gz XPIBKRJOPXMBMJ-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179926357 1050819041 /nfs/dbraw/zinc/81/90/41/1050819041.db2.gz XPIBKRJOPXMBMJ-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP c1c(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000152752420 1050843720 /nfs/dbraw/zinc/84/37/20/1050843720.db2.gz XNDQEAQJGCHYII-QFIPXVFZSA-N 2 2 345.490 4.336 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001180030519 1050859275 /nfs/dbraw/zinc/85/92/75/1050859275.db2.gz NYHFYBSZSJISOE-ZWKOTPCHSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001180030519 1050859278 /nfs/dbraw/zinc/85/92/78/1050859278.db2.gz NYHFYBSZSJISOE-ZWKOTPCHSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001180030519 1050859279 /nfs/dbraw/zinc/85/92/79/1050859279.db2.gz NYHFYBSZSJISOE-ZWKOTPCHSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001180030519 1050859281 /nfs/dbraw/zinc/85/92/81/1050859281.db2.gz NYHFYBSZSJISOE-ZWKOTPCHSA-N 2 2 332.507 4.475 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000154076005 1051264891 /nfs/dbraw/zinc/26/48/91/1051264891.db2.gz ILXXIZRHDWMKNV-GJZGRUSLSA-N 2 2 339.414 4.432 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070794 1051360199 /nfs/dbraw/zinc/36/01/99/1051360199.db2.gz YDCUZWZFIGSTLY-COXVUDFISA-N 2 2 326.406 4.040 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001175155616 1051386563 /nfs/dbraw/zinc/38/65/63/1051386563.db2.gz AYYGSTTVXKHSNG-UHFFFAOYSA-N 2 2 330.516 4.314 20 0 EIADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000078420886 1051637112 /nfs/dbraw/zinc/63/71/12/1051637112.db2.gz OLEXLOBKEICFEC-FQEVSTJZSA-N 2 2 345.450 4.236 20 0 EIADLP CC[N@H+](C)c1ccc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC001175781030 1051783035 /nfs/dbraw/zinc/78/30/35/1051783035.db2.gz CRXAWHRKGRRDEI-UHFFFAOYSA-N 2 2 338.499 4.028 20 0 EIADLP CC[N@@H+](C)c1ccc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC001175781030 1051783049 /nfs/dbraw/zinc/78/30/49/1051783049.db2.gz CRXAWHRKGRRDEI-UHFFFAOYSA-N 2 2 338.499 4.028 20 0 EIADLP CC(C)c1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158997247 1051803788 /nfs/dbraw/zinc/80/37/88/1051803788.db2.gz KNIWRHUSJMSJET-SJORKVTESA-N 2 2 348.535 4.231 20 0 EIADLP CC(C)c1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158997247 1051803794 /nfs/dbraw/zinc/80/37/94/1051803794.db2.gz KNIWRHUSJMSJET-SJORKVTESA-N 2 2 348.535 4.231 20 0 EIADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC001183197525 1051806166 /nfs/dbraw/zinc/80/61/66/1051806166.db2.gz XDTZKYSJLDBFLU-UHFFFAOYSA-N 2 2 337.920 4.256 20 0 EIADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238853 1051809486 /nfs/dbraw/zinc/80/94/86/1051809486.db2.gz QKKYXJHQKFFCQI-QFBILLFUSA-N 2 2 325.500 4.096 20 0 EIADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238853 1051809495 /nfs/dbraw/zinc/80/94/95/1051809495.db2.gz QKKYXJHQKFFCQI-QFBILLFUSA-N 2 2 325.500 4.096 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291875 1051823642 /nfs/dbraw/zinc/82/36/42/1051823642.db2.gz FNWVRNMUROEPAY-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291875 1051823648 /nfs/dbraw/zinc/82/36/48/1051823648.db2.gz FNWVRNMUROEPAY-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291875 1051823653 /nfs/dbraw/zinc/82/36/53/1051823653.db2.gz FNWVRNMUROEPAY-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291875 1051823658 /nfs/dbraw/zinc/82/36/58/1051823658.db2.gz FNWVRNMUROEPAY-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1[nH]c(C2CC[NH+](Cc3csc(CCC(C)C)n3)CC2)[nH+]c1C ZINC001176201256 1051949889 /nfs/dbraw/zinc/94/98/89/1051949889.db2.gz FYBNQLRESXPEFQ-UHFFFAOYSA-N 2 2 346.544 4.451 20 0 EIADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296917 1052013793 /nfs/dbraw/zinc/01/37/93/1052013793.db2.gz WXDOXXNESUCHEI-OAHLLOKOSA-N 2 2 345.712 4.114 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296283 1052004683 /nfs/dbraw/zinc/00/46/83/1052004683.db2.gz YIVPOLXZLHNZCG-SJLPKXTDSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296283 1052004692 /nfs/dbraw/zinc/00/46/92/1052004692.db2.gz YIVPOLXZLHNZCG-SJLPKXTDSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H](C)c1nc2ccccc2s1 ZINC000163827310 1052008834 /nfs/dbraw/zinc/00/88/34/1052008834.db2.gz QWVLBLFGZIMZMA-LSDHHAIUSA-N 2 2 340.496 4.275 20 0 EIADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296917 1052013781 /nfs/dbraw/zinc/01/37/81/1052013781.db2.gz WXDOXXNESUCHEI-OAHLLOKOSA-N 2 2 345.712 4.114 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000326354216 1052091687 /nfs/dbraw/zinc/09/16/87/1052091687.db2.gz ATSVWMWSQXOLBM-IBGZPJMESA-N 2 2 333.479 4.474 20 0 EIADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000326438743 1052094011 /nfs/dbraw/zinc/09/40/11/1052094011.db2.gz YPYVAXVEVXWWFY-OAQYLSRUSA-N 2 2 335.451 4.051 20 0 EIADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000166474510 1052097742 /nfs/dbraw/zinc/09/77/42/1052097742.db2.gz JCFRSKHGPRFFEJ-QUCCMNQESA-N 2 2 339.483 4.031 20 0 EIADLP CC[NH+](CC)[C@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccsc1 ZINC001184829673 1052112907 /nfs/dbraw/zinc/11/29/07/1052112907.db2.gz BHTJSJMTNWOUIU-GOSISDBHSA-N 2 2 344.528 4.220 20 0 EIADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)n1 ZINC001176992048 1052214298 /nfs/dbraw/zinc/21/42/98/1052214298.db2.gz WQPXONPDGVKDIM-GOSISDBHSA-N 2 2 340.515 4.338 20 0 EIADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)n1 ZINC001176992048 1052214309 /nfs/dbraw/zinc/21/43/09/1052214309.db2.gz WQPXONPDGVKDIM-GOSISDBHSA-N 2 2 340.515 4.338 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1cccc(OC2CC2)c1F)C1CCCCC1 ZINC001177071409 1052223637 /nfs/dbraw/zinc/22/36/37/1052223637.db2.gz HLDQKFWMMTZWCM-UHFFFAOYSA-N 2 2 334.479 4.111 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1cccc(OC2CC2)c1F)C1CCCCC1 ZINC001177071409 1052223644 /nfs/dbraw/zinc/22/36/44/1052223644.db2.gz HLDQKFWMMTZWCM-UHFFFAOYSA-N 2 2 334.479 4.111 20 0 EIADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000623440417 1052656718 /nfs/dbraw/zinc/65/67/18/1052656718.db2.gz VKADUPWWNKROPM-UHFFFAOYSA-N 2 2 332.435 4.264 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000179301423 1052729616 /nfs/dbraw/zinc/72/96/16/1052729616.db2.gz GOQVRIGBIBIAOW-KDOFPFPSSA-N 2 2 340.496 4.130 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000179301423 1052729623 /nfs/dbraw/zinc/72/96/23/1052729623.db2.gz GOQVRIGBIBIAOW-KDOFPFPSSA-N 2 2 340.496 4.130 20 0 EIADLP FC(F)(F)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000623787420 1052803358 /nfs/dbraw/zinc/80/33/58/1052803358.db2.gz LSNMBRIRKSJLCR-UHFFFAOYSA-N 2 2 329.391 4.146 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623880005 1052829078 /nfs/dbraw/zinc/82/90/78/1052829078.db2.gz WHWKAVNHMVZZLS-AEFFLSMTSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623880005 1052829080 /nfs/dbraw/zinc/82/90/80/1052829080.db2.gz WHWKAVNHMVZZLS-AEFFLSMTSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000623898808 1052831404 /nfs/dbraw/zinc/83/14/04/1052831404.db2.gz RKQNOGNWMVQUOP-SQWLQELKSA-N 2 2 335.542 4.247 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000623898808 1052831408 /nfs/dbraw/zinc/83/14/08/1052831408.db2.gz RKQNOGNWMVQUOP-SQWLQELKSA-N 2 2 335.542 4.247 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000325119164 1052952952 /nfs/dbraw/zinc/95/29/52/1052952952.db2.gz RQUBOFFNCBABPL-LPHOPBHVSA-N 2 2 329.488 4.437 20 0 EIADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000325119163 1052953050 /nfs/dbraw/zinc/95/30/50/1052953050.db2.gz RQUBOFFNCBABPL-APWZRJJASA-N 2 2 329.488 4.437 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1F ZINC000183234638 1052967883 /nfs/dbraw/zinc/96/78/83/1052967883.db2.gz RCBZECKCXXANCP-LBPRGKRZSA-N 2 2 345.368 4.449 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC(F)CC1 ZINC000850395796 1053164239 /nfs/dbraw/zinc/16/42/39/1053164239.db2.gz LNVPHYVWZMIUSG-WWDZGPRUSA-N 2 2 347.522 4.228 20 0 EIADLP C[C@@H]([NH2+]CCSCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764614362 1053232651 /nfs/dbraw/zinc/23/26/51/1053232651.db2.gz BCVVAMGBPLQIRT-QGZVFWFLSA-N 2 2 337.492 4.456 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)cn1 ZINC000765248796 1053476903 /nfs/dbraw/zinc/47/69/03/1053476903.db2.gz CMDOCJVTXMNNMN-SFHVURJKSA-N 2 2 338.842 4.006 20 0 EIADLP CC(C)(C)Oc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000865414064 1053497724 /nfs/dbraw/zinc/49/77/24/1053497724.db2.gz IGKDLGNKWOYJSV-UHFFFAOYSA-N 2 2 339.483 4.018 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404852 1053537009 /nfs/dbraw/zinc/53/70/09/1053537009.db2.gz NKTMESIWURQIRG-PGRDOPGGSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404852 1053537015 /nfs/dbraw/zinc/53/70/15/1053537015.db2.gz NKTMESIWURQIRG-PGRDOPGGSA-N 2 2 345.490 4.235 20 0 EIADLP c1cn(CCCC[NH2+][C@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866240022 1053660184 /nfs/dbraw/zinc/66/01/84/1053660184.db2.gz ZTOCHDBQGCBKGP-OAQYLSRUSA-N 2 2 334.467 4.022 20 0 EIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866239604 1053660722 /nfs/dbraw/zinc/66/07/22/1053660722.db2.gz VWJOGIFJRVMXBH-LRDDRELGSA-N 2 2 346.862 4.443 20 0 EIADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257461 1053666505 /nfs/dbraw/zinc/66/65/05/1053666505.db2.gz VCEQJAOSWWJVAL-SFHVURJKSA-N 2 2 348.494 4.433 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2c(ccnc2Cl)o1 ZINC000866256301 1053667757 /nfs/dbraw/zinc/66/77/57/1053667757.db2.gz IXXBCJWOMCXMGR-CYBMUJFWSA-N 2 2 344.846 4.419 20 0 EIADLP Cc1cccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000866310398 1053686304 /nfs/dbraw/zinc/68/63/04/1053686304.db2.gz UOLZYQSXJFPHBK-RTBURBONSA-N 2 2 337.511 4.136 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866341954 1053698140 /nfs/dbraw/zinc/69/81/40/1053698140.db2.gz CNANVFHTGXKKND-WCQYABFASA-N 2 2 341.402 4.161 20 0 EIADLP C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866540882 1053774294 /nfs/dbraw/zinc/77/42/94/1053774294.db2.gz FYSWRZKSWWILQB-CYBMUJFWSA-N 2 2 343.418 4.209 20 0 EIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1OC(F)F ZINC001168553875 1053894798 /nfs/dbraw/zinc/89/47/98/1053894798.db2.gz XRJASBDJSZXRKF-YPMHNXCESA-N 2 2 332.822 4.076 20 0 EIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(Cl)ccc1OC(F)F ZINC001168553875 1053894804 /nfs/dbraw/zinc/89/48/04/1053894804.db2.gz XRJASBDJSZXRKF-YPMHNXCESA-N 2 2 332.822 4.076 20 0 EIADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339081170 1053908279 /nfs/dbraw/zinc/90/82/79/1053908279.db2.gz IQVZSDFAPVDGLV-UHFFFAOYSA-N 2 2 340.515 4.402 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122338036 1053943757 /nfs/dbraw/zinc/94/37/57/1053943757.db2.gz GKKGXCJKMMXMCK-INIZCTEOSA-N 2 2 343.540 4.442 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197702482 1053976267 /nfs/dbraw/zinc/97/62/67/1053976267.db2.gz YOTJOVBMAOJGSS-RBUKOAKNSA-N 2 2 338.495 4.296 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197702482 1053976273 /nfs/dbraw/zinc/97/62/73/1053976273.db2.gz YOTJOVBMAOJGSS-RBUKOAKNSA-N 2 2 338.495 4.296 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001197702482 1053976284 /nfs/dbraw/zinc/97/62/84/1053976284.db2.gz YOTJOVBMAOJGSS-RBUKOAKNSA-N 2 2 338.495 4.296 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001197702482 1053976302 /nfs/dbraw/zinc/97/63/02/1053976302.db2.gz YOTJOVBMAOJGSS-RBUKOAKNSA-N 2 2 338.495 4.296 20 0 EIADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778274 1054109276 /nfs/dbraw/zinc/10/92/76/1054109276.db2.gz MEJAHUKRWNZQQO-GFCCVEGCSA-N 2 2 349.828 4.280 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001198790611 1054253052 /nfs/dbraw/zinc/25/30/52/1054253052.db2.gz JKAPRHPLEBJLKM-JONQDZQNSA-N 2 2 337.458 4.109 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001198790611 1054253070 /nfs/dbraw/zinc/25/30/70/1054253070.db2.gz JKAPRHPLEBJLKM-JONQDZQNSA-N 2 2 337.458 4.109 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000872033561 1054350019 /nfs/dbraw/zinc/35/00/19/1054350019.db2.gz FHAKXULSEFOUCD-MJGOQNOKSA-N 2 2 330.516 4.197 20 0 EIADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000872040338 1054352936 /nfs/dbraw/zinc/35/29/36/1054352936.db2.gz XXYAVYATHSSYTN-CVEARBPZSA-N 2 2 339.405 4.415 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001199207825 1054363496 /nfs/dbraw/zinc/36/34/96/1054363496.db2.gz BLUSYVXWNPUHOT-MEQKGCOVSA-N 2 2 347.462 4.154 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001199328497 1054392659 /nfs/dbraw/zinc/39/26/59/1054392659.db2.gz BEQIFJAIYLASBR-HOTGVXAUSA-N 2 2 338.923 4.196 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858152184 1054426656 /nfs/dbraw/zinc/42/66/56/1054426656.db2.gz HBLCPDYQNWWYLE-XGRCMKMKSA-N 2 2 341.543 4.311 20 0 EIADLP CC(C)[C@H]1CCCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580603 1054477398 /nfs/dbraw/zinc/47/73/98/1054477398.db2.gz PTRSZVVXDXCEQL-FCHUYYIVSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580603 1054477405 /nfs/dbraw/zinc/47/74/05/1054477405.db2.gz PTRSZVVXDXCEQL-FCHUYYIVSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001168580603 1054477410 /nfs/dbraw/zinc/47/74/10/1054477410.db2.gz PTRSZVVXDXCEQL-FCHUYYIVSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001168580603 1054477414 /nfs/dbraw/zinc/47/74/14/1054477414.db2.gz PTRSZVVXDXCEQL-FCHUYYIVSA-N 2 2 344.543 4.178 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000859215065 1054645772 /nfs/dbraw/zinc/64/57/72/1054645772.db2.gz XXJZYIZKVINOGI-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(-c3cccs3)n2)cc1 ZINC000859215065 1054645785 /nfs/dbraw/zinc/64/57/85/1054645785.db2.gz XXJZYIZKVINOGI-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2OCC2CC2)c[nH+]1 ZINC000063511493 1054814861 /nfs/dbraw/zinc/81/48/61/1054814861.db2.gz OTZCYFJHNZXGMI-UHFFFAOYSA-N 2 2 347.462 4.010 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201558509 1054847571 /nfs/dbraw/zinc/84/75/71/1054847571.db2.gz CEZUPLQMNCFDEM-ROUUACIJSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201558509 1054847572 /nfs/dbraw/zinc/84/75/72/1054847572.db2.gz CEZUPLQMNCFDEM-ROUUACIJSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201558509 1054847576 /nfs/dbraw/zinc/84/75/76/1054847576.db2.gz CEZUPLQMNCFDEM-ROUUACIJSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201558509 1054847578 /nfs/dbraw/zinc/84/75/78/1054847578.db2.gz CEZUPLQMNCFDEM-ROUUACIJSA-N 2 2 334.552 4.316 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877146673 1055025342 /nfs/dbraw/zinc/02/53/42/1055025342.db2.gz YCWMYMSAQJEWJD-UHFFFAOYSA-N 2 2 349.931 4.318 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000115610799 1055536162 /nfs/dbraw/zinc/53/61/62/1055536162.db2.gz MWPZZONZGOTHFQ-UHFFFAOYSA-N 2 2 328.431 4.111 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC001168622861 1055611306 /nfs/dbraw/zinc/61/13/06/1055611306.db2.gz QAAHZACZPYOCBR-IBGZPJMESA-N 2 2 327.378 4.391 20 0 EIADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000742366225 1058577887 /nfs/dbraw/zinc/57/78/87/1058577887.db2.gz PNADVKUQHBMDKS-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP Clc1oc2ccccc2c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000378897224 1060116464 /nfs/dbraw/zinc/11/64/64/1060116464.db2.gz NOADJEZEOAXNRS-UHFFFAOYSA-N 2 2 341.842 4.240 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001169097572 1060631843 /nfs/dbraw/zinc/63/18/43/1060631843.db2.gz BWMANPWLILUNGC-CNDDSTCGSA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001169097572 1060631846 /nfs/dbraw/zinc/63/18/46/1060631846.db2.gz BWMANPWLILUNGC-CNDDSTCGSA-N 2 2 332.797 4.074 20 0 EIADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001169270677 1060756139 /nfs/dbraw/zinc/75/61/39/1060756139.db2.gz JDXIJTHERKDHCM-XLIONFOSSA-N 2 2 349.950 4.020 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(OC(C)(C)C)cc[nH+]1 ZINC001169688905 1060900549 /nfs/dbraw/zinc/90/05/49/1060900549.db2.gz ADLCIGYJSLNSAX-KRWDZBQOSA-N 2 2 325.456 4.499 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(Cn2cc[nH+]c2)cc1 ZINC001169692995 1060901993 /nfs/dbraw/zinc/90/19/93/1060901993.db2.gz UUKQSEWUFQVLOS-HXUWFJFHSA-N 2 2 332.451 4.172 20 0 EIADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050744 721979028 /nfs/dbraw/zinc/97/90/28/721979028.db2.gz WJIUJZVOUMACBS-QGZVFWFLSA-N 2 2 335.923 4.311 20 0 EIADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050744 721979032 /nfs/dbraw/zinc/97/90/32/721979032.db2.gz WJIUJZVOUMACBS-QGZVFWFLSA-N 2 2 335.923 4.311 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000245770385 1032470567 /nfs/dbraw/zinc/47/05/67/1032470567.db2.gz XERJKHIRFPHUNV-ACDBMABISA-N 2 2 341.886 4.020 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000245770385 1032470574 /nfs/dbraw/zinc/47/05/74/1032470574.db2.gz XERJKHIRFPHUNV-ACDBMABISA-N 2 2 341.886 4.020 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000666094150 1032522997 /nfs/dbraw/zinc/52/29/97/1032522997.db2.gz LBZISLGTYRLDBA-DYESRHJHSA-N 2 2 349.478 4.372 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000177890578 1032524582 /nfs/dbraw/zinc/52/45/82/1032524582.db2.gz AMUAHXAEWGNNNS-KZNAEPCWSA-N 2 2 342.483 4.048 20 0 EIADLP CCc1cnc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000394912758 1032542905 /nfs/dbraw/zinc/54/29/05/1032542905.db2.gz HVZFWWVCFWBIAI-GOSISDBHSA-N 2 2 343.540 4.097 20 0 EIADLP CCc1cnc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394912758 1032542912 /nfs/dbraw/zinc/54/29/12/1032542912.db2.gz HVZFWWVCFWBIAI-GOSISDBHSA-N 2 2 343.540 4.097 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000245983101 1032573602 /nfs/dbraw/zinc/57/36/02/1032573602.db2.gz PREZWHYMTNFBLK-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000245983101 1032573612 /nfs/dbraw/zinc/57/36/12/1032573612.db2.gz PREZWHYMTNFBLK-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP Fc1cc(F)cc(Oc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)c1 ZINC000065888260 1032691176 /nfs/dbraw/zinc/69/11/76/1032691176.db2.gz GUAHGFUSZGFAQE-UHFFFAOYSA-N 2 2 343.377 4.134 20 0 EIADLP Cc1nocc1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000339292607 1018752853 /nfs/dbraw/zinc/75/28/53/1018752853.db2.gz YWRJBJHRCCBLTO-UHFFFAOYSA-N 2 2 349.478 4.165 20 0 EIADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCC(C)C ZINC000432793222 1032812503 /nfs/dbraw/zinc/81/25/03/1032812503.db2.gz NQZLYHDOOJPNTF-LJQANCHMSA-N 2 2 348.531 4.036 20 0 EIADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCC(C)C ZINC000432793222 1032812507 /nfs/dbraw/zinc/81/25/07/1032812507.db2.gz NQZLYHDOOJPNTF-LJQANCHMSA-N 2 2 348.531 4.036 20 0 EIADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CCC2 ZINC000579837503 1019532995 /nfs/dbraw/zinc/53/29/95/1019532995.db2.gz GBFRPHWSFYGLOC-APWZRJJASA-N 2 2 341.524 4.458 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981476 1019886248 /nfs/dbraw/zinc/88/62/48/1019886248.db2.gz ZJGXSLGCNWCURR-GJZGRUSLSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981476 1019886251 /nfs/dbraw/zinc/88/62/51/1019886251.db2.gz ZJGXSLGCNWCURR-GJZGRUSLSA-N 2 2 349.931 4.359 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)[C@H](C)C2 ZINC000180082712 1020046181 /nfs/dbraw/zinc/04/61/81/1020046181.db2.gz JTCSNDPNZUPFSQ-VGSWGCGISA-N 2 2 331.463 4.263 20 0 EIADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000120828396 1020519556 /nfs/dbraw/zinc/51/95/56/1020519556.db2.gz GVWGSSYHPIGVQN-HXUWFJFHSA-N 2 2 345.437 4.316 20 0 EIADLP CC(C)c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655683911 1020897563 /nfs/dbraw/zinc/89/75/63/1020897563.db2.gz XHGAUUPEDPKRFZ-VXKWHMMOSA-N 2 2 344.543 4.350 20 0 EIADLP CC(C)Sc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655708736 1020906679 /nfs/dbraw/zinc/90/66/79/1020906679.db2.gz NJNWMHHSUJBTEZ-LPHOPBHVSA-N 2 2 348.556 4.091 20 0 EIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655717171 1020914394 /nfs/dbraw/zinc/91/43/94/1020914394.db2.gz WHITVXYGMZXRLE-VQTJNVASSA-N 2 2 348.918 4.024 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655733391 1020924542 /nfs/dbraw/zinc/92/45/42/1020924542.db2.gz MUAOALSDJVDJFW-OALUTQOASA-N 2 2 336.907 4.024 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655733394 1020924808 /nfs/dbraw/zinc/92/48/08/1020924808.db2.gz MUAOALSDJVDJFW-RTBURBONSA-N 2 2 336.907 4.024 20 0 EIADLP Cc1[nH+]cc(Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)cc1N ZINC001210289802 1021008130 /nfs/dbraw/zinc/00/81/30/1021008130.db2.gz ZEOHDCGLVXQESA-IBGZPJMESA-N 2 2 344.462 4.293 20 0 EIADLP Cc1[nH+]cc(Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)cc1N ZINC001210289802 1021008137 /nfs/dbraw/zinc/00/81/37/1021008137.db2.gz ZEOHDCGLVXQESA-IBGZPJMESA-N 2 2 344.462 4.293 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059982 1021587153 /nfs/dbraw/zinc/58/71/53/1021587153.db2.gz JSXSFOISMNNZTG-KKSFZXQISA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059982 1021587166 /nfs/dbraw/zinc/58/71/66/1021587166.db2.gz JSXSFOISMNNZTG-KKSFZXQISA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059982 1021587186 /nfs/dbraw/zinc/58/71/86/1021587186.db2.gz JSXSFOISMNNZTG-KKSFZXQISA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059982 1021587211 /nfs/dbraw/zinc/58/72/11/1021587211.db2.gz JSXSFOISMNNZTG-KKSFZXQISA-N 2 2 326.459 4.265 20 0 EIADLP CCC[N@H+]1CC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926717055 1021604108 /nfs/dbraw/zinc/60/41/08/1021604108.db2.gz YOPYUUITMHFUJS-GFCCVEGCSA-N 2 2 334.348 4.114 20 0 EIADLP CCC[N@@H+]1CC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926717056 1021604631 /nfs/dbraw/zinc/60/46/31/1021604631.db2.gz YOPYUUITMHFUJS-LBPRGKRZSA-N 2 2 334.348 4.114 20 0 EIADLP CCC[N@H+]1CC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926717056 1021604639 /nfs/dbraw/zinc/60/46/39/1021604639.db2.gz YOPYUUITMHFUJS-LBPRGKRZSA-N 2 2 334.348 4.114 20 0 EIADLP CCC[N@@H+]1CC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926717055 1021604095 /nfs/dbraw/zinc/60/40/95/1021604095.db2.gz YOPYUUITMHFUJS-GFCCVEGCSA-N 2 2 334.348 4.114 20 0 EIADLP C[N@@H+](CC/C=C\c1ccc(Br)cc1)CCCn1cc[nH+]c1 ZINC000255166190 1021749030 /nfs/dbraw/zinc/74/90/30/1021749030.db2.gz SWCVWRPOELMYHM-DJWKRKHSSA-N 2 2 348.288 4.071 20 0 EIADLP C[N@H+](CC/C=C\c1ccc(Br)cc1)CCCn1cc[nH+]c1 ZINC000255166190 1021749047 /nfs/dbraw/zinc/74/90/47/1021749047.db2.gz SWCVWRPOELMYHM-DJWKRKHSSA-N 2 2 348.288 4.071 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000414062254 1021765399 /nfs/dbraw/zinc/76/53/99/1021765399.db2.gz CKJIJTWFYGXRRI-OAHLLOKOSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010483 1021893108 /nfs/dbraw/zinc/89/31/08/1021893108.db2.gz CQSRADAHJHKFRQ-HNAYVOBHSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010483 1021893109 /nfs/dbraw/zinc/89/31/09/1021893109.db2.gz CQSRADAHJHKFRQ-HNAYVOBHSA-N 2 2 346.877 4.479 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1C ZINC000656252447 1022219135 /nfs/dbraw/zinc/21/91/35/1022219135.db2.gz AJVVDZHKSUCRAQ-AEFFLSMTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1C ZINC000656252447 1022219151 /nfs/dbraw/zinc/21/91/51/1022219151.db2.gz AJVVDZHKSUCRAQ-AEFFLSMTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)cc1C ZINC000656252447 1022219166 /nfs/dbraw/zinc/21/91/66/1022219166.db2.gz AJVVDZHKSUCRAQ-AEFFLSMTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)cc1C ZINC000656252447 1022219179 /nfs/dbraw/zinc/21/91/79/1022219179.db2.gz AJVVDZHKSUCRAQ-AEFFLSMTSA-N 2 2 343.540 4.341 20 0 EIADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087559 1022307036 /nfs/dbraw/zinc/30/70/36/1022307036.db2.gz BNBQYJCXXBKKNZ-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087559 1022307051 /nfs/dbraw/zinc/30/70/51/1022307051.db2.gz BNBQYJCXXBKKNZ-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000472572921 1022374963 /nfs/dbraw/zinc/37/49/63/1022374963.db2.gz YYCJYRCYTCIGDY-PBHICJAKSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000472572921 1022374976 /nfs/dbraw/zinc/37/49/76/1022374976.db2.gz YYCJYRCYTCIGDY-PBHICJAKSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000472572921 1022374993 /nfs/dbraw/zinc/37/49/93/1022374993.db2.gz YYCJYRCYTCIGDY-PBHICJAKSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000472572921 1022375010 /nfs/dbraw/zinc/37/50/10/1022375010.db2.gz YYCJYRCYTCIGDY-PBHICJAKSA-N 2 2 339.321 4.174 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)CCC2 ZINC000378184920 1022488983 /nfs/dbraw/zinc/48/89/83/1022488983.db2.gz QKMAUIPUDDNXSF-UONOGXRCSA-N 2 2 337.389 4.439 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180674412 1022529485 /nfs/dbraw/zinc/52/94/85/1022529485.db2.gz SSLTWEVOYSKGEN-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000580921690 1022700852 /nfs/dbraw/zinc/70/08/52/1022700852.db2.gz XEWBTLYQGPJLPJ-ZWNOBZJWSA-N 2 2 344.509 4.111 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c(C)n1 ZINC000651358886 1022718883 /nfs/dbraw/zinc/71/88/83/1022718883.db2.gz DHAHGVSEGRQLQA-AWEZNQCLSA-N 2 2 340.858 4.388 20 0 EIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000510361838 1022735122 /nfs/dbraw/zinc/73/51/22/1022735122.db2.gz FHGYJOPWEDCEQT-XMSQKQJNSA-N 2 2 338.495 4.058 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000580981838 1022782722 /nfs/dbraw/zinc/78/27/22/1022782722.db2.gz NMKSAYPSLUNQDM-VQIMIIECSA-N 2 2 329.875 4.442 20 0 EIADLP COc1ccc(CC[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000581088290 1022826182 /nfs/dbraw/zinc/82/61/82/1022826182.db2.gz UWTJADGDWATBKI-UHFFFAOYSA-N 2 2 349.478 4.027 20 0 EIADLP COc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000581088290 1022826184 /nfs/dbraw/zinc/82/61/84/1022826184.db2.gz UWTJADGDWATBKI-UHFFFAOYSA-N 2 2 349.478 4.027 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000472607602 1022837565 /nfs/dbraw/zinc/83/75/65/1022837565.db2.gz GXVIFZMOOXAXRC-UHFFFAOYSA-N 2 2 343.298 4.062 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472607602 1022837566 /nfs/dbraw/zinc/83/75/66/1022837566.db2.gz GXVIFZMOOXAXRC-UHFFFAOYSA-N 2 2 343.298 4.062 20 0 EIADLP C[N@H+](C1CC[NH+](CCc2ccncc2)CC1)[C@H]1CCCc2ccccc21 ZINC000378619492 1022893804 /nfs/dbraw/zinc/89/38/04/1022893804.db2.gz FFCFHMVJFBPPJC-QHCPKHFHSA-N 2 2 349.522 4.098 20 0 EIADLP C[N@@H+](C1CC[NH+](CCc2ccncc2)CC1)[C@H]1CCCc2ccccc21 ZINC000378619492 1022893807 /nfs/dbraw/zinc/89/38/07/1022893807.db2.gz FFCFHMVJFBPPJC-QHCPKHFHSA-N 2 2 349.522 4.098 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)c3cccnc13)CCC2 ZINC000363886231 1022894328 /nfs/dbraw/zinc/89/43/28/1022894328.db2.gz CGZWIEOIDHVZPR-HNNXBMFYSA-N 2 2 340.858 4.060 20 0 EIADLP Cc1cccc([C@@H](C)[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364039234 1023175146 /nfs/dbraw/zinc/17/51/46/1023175146.db2.gz XAHQDTDRTHAGPT-LJQANCHMSA-N 2 2 337.511 4.090 20 0 EIADLP Cc1cccc([C@@H](C)[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364039234 1023175154 /nfs/dbraw/zinc/17/51/54/1023175154.db2.gz XAHQDTDRTHAGPT-LJQANCHMSA-N 2 2 337.511 4.090 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)cc1 ZINC000160985252 1023528559 /nfs/dbraw/zinc/52/85/59/1023528559.db2.gz OALIETOUXLXPRX-LJQANCHMSA-N 2 2 349.522 4.041 20 0 EIADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)[C@@H](C)C2)s1 ZINC000377783700 1023758540 /nfs/dbraw/zinc/75/85/40/1023758540.db2.gz FMRYBHPXYFPFKH-SCLBCKFNSA-N 2 2 349.931 4.105 20 0 EIADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)[C@@H](C)C2)s1 ZINC000377783700 1023758544 /nfs/dbraw/zinc/75/85/44/1023758544.db2.gz FMRYBHPXYFPFKH-SCLBCKFNSA-N 2 2 349.931 4.105 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCOCC1)c1ccccc1 ZINC000510648110 1024170167 /nfs/dbraw/zinc/17/01/67/1024170167.db2.gz DSYKEQNECDPKTR-DZFGPLHGSA-N 2 2 342.527 4.055 20 0 EIADLP CC(C)[C@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000276814210 1024333398 /nfs/dbraw/zinc/33/33/98/1024333398.db2.gz ADETYAUHYDUGOX-FXAWDEMLSA-N 2 2 347.572 4.159 20 0 EIADLP Brc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000652219199 1024384234 /nfs/dbraw/zinc/38/42/34/1024384234.db2.gz YWKLPQFYEQBQMQ-UHFFFAOYSA-N 2 2 349.316 4.045 20 0 EIADLP CC(C)c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000048565366 1024656344 /nfs/dbraw/zinc/65/63/44/1024656344.db2.gz BTNDBRBTOBQUIR-UHFFFAOYSA-N 2 2 335.561 4.355 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)CCC2 ZINC000432256502 1024773763 /nfs/dbraw/zinc/77/37/63/1024773763.db2.gz SVWJEYHLLOWYEF-LBPRGKRZSA-N 2 2 342.245 4.305 20 0 EIADLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001167785655 1024787993 /nfs/dbraw/zinc/78/79/93/1024787993.db2.gz XRFCGTBAKBUIOV-UHFFFAOYSA-N 2 2 347.397 4.267 20 0 EIADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639663 1024819111 /nfs/dbraw/zinc/81/91/11/1024819111.db2.gz KYDYUTWZKZURBC-LEWJYISDSA-N 2 2 342.527 4.123 20 0 EIADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639663 1024819112 /nfs/dbraw/zinc/81/91/12/1024819112.db2.gz KYDYUTWZKZURBC-LEWJYISDSA-N 2 2 342.527 4.123 20 0 EIADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663305297 1025031060 /nfs/dbraw/zinc/03/10/60/1025031060.db2.gz XDDUTAUISOTKLQ-FCHUYYIVSA-N 2 2 344.543 4.179 20 0 EIADLP c1csc(C[N@@H+](CCCn2cc[nH+]c2)C2Cc3ccccc3C2)c1 ZINC000342035075 1025046062 /nfs/dbraw/zinc/04/60/62/1025046062.db2.gz PRZYRUZNGTWEOS-UHFFFAOYSA-N 2 2 337.492 4.004 20 0 EIADLP c1csc(C[N@H+](CCCn2cc[nH+]c2)C2Cc3ccccc3C2)c1 ZINC000342035075 1025046079 /nfs/dbraw/zinc/04/60/79/1025046079.db2.gz PRZYRUZNGTWEOS-UHFFFAOYSA-N 2 2 337.492 4.004 20 0 EIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000186981244 1025149059 /nfs/dbraw/zinc/14/90/59/1025149059.db2.gz DVZGYEWUTCRMIY-QFIPXVFZSA-N 2 2 347.506 4.331 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Cl)c1 ZINC000121347214 1025205278 /nfs/dbraw/zinc/20/52/78/1025205278.db2.gz AEHREXUZWFLOLE-ZDUSSCGKSA-N 2 2 333.838 4.194 20 0 EIADLP Fc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C(F)F ZINC000892086229 1025681613 /nfs/dbraw/zinc/68/16/13/1025681613.db2.gz ODZQGRRAVKMWNA-OAHLLOKOSA-N 2 2 326.406 4.214 20 0 EIADLP Fc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C(F)F ZINC000892086229 1025681699 /nfs/dbraw/zinc/68/16/99/1025681699.db2.gz ODZQGRRAVKMWNA-OAHLLOKOSA-N 2 2 326.406 4.214 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1 ZINC000511028116 1025689512 /nfs/dbraw/zinc/68/95/12/1025689512.db2.gz KWIAAUDTFLRGAI-DLBZAZTESA-N 2 2 326.484 4.042 20 0 EIADLP COC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000342412978 1026165240 /nfs/dbraw/zinc/16/52/40/1026165240.db2.gz DTETWWKVUTZFKI-QGZVFWFLSA-N 2 2 347.871 4.065 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)nc1Cl ZINC000894614172 1026257683 /nfs/dbraw/zinc/25/76/83/1026257683.db2.gz XNOCBLQJYQRXRY-YEJSDXFRSA-N 2 2 347.812 4.030 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)nc1Cl ZINC000894614172 1026257708 /nfs/dbraw/zinc/25/77/08/1026257708.db2.gz XNOCBLQJYQRXRY-YEJSDXFRSA-N 2 2 347.812 4.030 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582210749 1026329929 /nfs/dbraw/zinc/32/99/29/1026329929.db2.gz GUSOSAKRHCVPPA-VQIMIIECSA-N 2 2 337.492 4.211 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000511105793 1026511389 /nfs/dbraw/zinc/51/13/89/1026511389.db2.gz KFKPLTIUCAMGEE-MRXNPFEDSA-N 2 2 337.389 4.172 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000511105793 1026511397 /nfs/dbraw/zinc/51/13/97/1026511397.db2.gz KFKPLTIUCAMGEE-MRXNPFEDSA-N 2 2 337.389 4.172 20 0 EIADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504048 1026528060 /nfs/dbraw/zinc/52/80/60/1026528060.db2.gz XTUTVWVSKUSHCS-WBVHZDCISA-N 2 2 327.447 4.299 20 0 EIADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337504048 1026528064 /nfs/dbraw/zinc/52/80/64/1026528064.db2.gz XTUTVWVSKUSHCS-WBVHZDCISA-N 2 2 327.447 4.299 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000582427324 1026618437 /nfs/dbraw/zinc/61/84/37/1026618437.db2.gz KFICDQICLISYIU-YYWHXJBOSA-N 2 2 332.532 4.037 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000507322784 1026744734 /nfs/dbraw/zinc/74/47/34/1026744734.db2.gz CSFPEZMPXSISPU-UHFFFAOYSA-N 2 2 346.849 4.246 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000507322784 1026744742 /nfs/dbraw/zinc/74/47/42/1026744742.db2.gz CSFPEZMPXSISPU-UHFFFAOYSA-N 2 2 346.849 4.246 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000507471782 1026807537 /nfs/dbraw/zinc/80/75/37/1026807537.db2.gz PQGLPQXXUHWUEL-LVCYWYKZSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000507471782 1026807545 /nfs/dbraw/zinc/80/75/45/1026807545.db2.gz PQGLPQXXUHWUEL-LVCYWYKZSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000507498139 1026813115 /nfs/dbraw/zinc/81/31/15/1026813115.db2.gz UKJDZUVAZBCPRV-UHFFFAOYSA-N 2 2 342.449 4.491 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000507540927 1026832901 /nfs/dbraw/zinc/83/29/01/1026832901.db2.gz WVHBETNMOWHXMR-XAUMDUMWSA-N 2 2 343.540 4.439 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000507540927 1026832903 /nfs/dbraw/zinc/83/29/03/1026832903.db2.gz WVHBETNMOWHXMR-XAUMDUMWSA-N 2 2 343.540 4.439 20 0 EIADLP CCSc1ccccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152764571 1026839483 /nfs/dbraw/zinc/83/94/83/1026839483.db2.gz MHJITBYJICNYRG-OAHLLOKOSA-N 2 2 329.513 4.225 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000582645679 1026898478 /nfs/dbraw/zinc/89/84/78/1026898478.db2.gz KWHAXCSPASWHOJ-NHCUHLMSSA-N 2 2 344.543 4.350 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000582645678 1026898972 /nfs/dbraw/zinc/89/89/72/1026898972.db2.gz KWHAXCSPASWHOJ-LEWJYISDSA-N 2 2 344.543 4.350 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000076003356 1027065359 /nfs/dbraw/zinc/06/53/59/1027065359.db2.gz YDLLGFCIWVWGBI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000076003356 1027065365 /nfs/dbraw/zinc/06/53/65/1027065365.db2.gz YDLLGFCIWVWGBI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000474479040 1027096514 /nfs/dbraw/zinc/09/65/14/1027096514.db2.gz WYYOGFRVPWEULA-HOTGVXAUSA-N 2 2 331.529 4.254 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000474472521 1027099304 /nfs/dbraw/zinc/09/93/04/1027099304.db2.gz WRLNWMWEFQOUBB-MLHJIOFPSA-N 2 2 348.531 4.048 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000474472521 1027099322 /nfs/dbraw/zinc/09/93/22/1027099322.db2.gz WRLNWMWEFQOUBB-MLHJIOFPSA-N 2 2 348.531 4.048 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582738998 1027160250 /nfs/dbraw/zinc/16/02/50/1027160250.db2.gz LNSAZQCNQJFGJU-SNRMKQJTSA-N 2 2 335.426 4.293 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840455 1027227876 /nfs/dbraw/zinc/22/78/76/1027227876.db2.gz DCVKTUSMZYQENR-RBUKOAKNSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840455 1027227884 /nfs/dbraw/zinc/22/78/84/1027227884.db2.gz DCVKTUSMZYQENR-RBUKOAKNSA-N 2 2 344.524 4.080 20 0 EIADLP Cc1ccc2[nH+]ccc(NCc3cccc(Cn4cc[nH+]c4)c3)c2c1 ZINC000302165277 1027240608 /nfs/dbraw/zinc/24/06/08/1027240608.db2.gz QZFMUMTZESCDKN-UHFFFAOYSA-N 2 2 328.419 4.400 20 0 EIADLP Cc1cccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235520 1027277729 /nfs/dbraw/zinc/27/77/29/1027277729.db2.gz IGWLDHHJQLDERW-KSSFIOAISA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235520 1027277756 /nfs/dbraw/zinc/27/77/56/1027277756.db2.gz IGWLDHHJQLDERW-KSSFIOAISA-N 2 2 333.838 4.287 20 0 EIADLP CCc1cccc(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000474602080 1027300217 /nfs/dbraw/zinc/30/02/17/1027300217.db2.gz BBCUTQJXHPIMCR-UHFFFAOYSA-N 2 2 327.378 4.003 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276884 1027371307 /nfs/dbraw/zinc/37/13/07/1027371307.db2.gz ZMIYKHRTDSAZCM-KRZXBLKESA-N 2 2 336.479 4.324 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276884 1027371320 /nfs/dbraw/zinc/37/13/20/1027371320.db2.gz ZMIYKHRTDSAZCM-KRZXBLKESA-N 2 2 336.479 4.324 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000453287017 1027381118 /nfs/dbraw/zinc/38/11/18/1027381118.db2.gz NRORKKOLGKXAGO-DLBZAZTESA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000453287017 1027381131 /nfs/dbraw/zinc/38/11/31/1027381131.db2.gz NRORKKOLGKXAGO-DLBZAZTESA-N 2 2 349.400 4.026 20 0 EIADLP C[C@@H]1CC([N@@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040963 1027406018 /nfs/dbraw/zinc/40/60/18/1027406018.db2.gz PKKCDFHRCBZVRT-SMOSDQRPSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1CC([N@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040963 1027406035 /nfs/dbraw/zinc/40/60/35/1027406035.db2.gz PKKCDFHRCBZVRT-SMOSDQRPSA-N 2 2 336.470 4.200 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474821159 1027544734 /nfs/dbraw/zinc/54/47/34/1027544734.db2.gz JNSUMNOWWWQIMS-UONOGXRCSA-N 2 2 326.937 4.413 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474821159 1027544750 /nfs/dbraw/zinc/54/47/50/1027544750.db2.gz JNSUMNOWWWQIMS-UONOGXRCSA-N 2 2 326.937 4.413 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000161650683 1027662383 /nfs/dbraw/zinc/66/23/83/1027662383.db2.gz CMBWZLWGBKGULN-HNNXBMFYSA-N 2 2 329.513 4.335 20 0 EIADLP Clc1ccc(CCCC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000474922600 1027802683 /nfs/dbraw/zinc/80/26/83/1027802683.db2.gz GPVOGBSUYQKIRD-CQSZACIVSA-N 2 2 338.282 4.117 20 0 EIADLP CSc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000583024522 1027859024 /nfs/dbraw/zinc/85/90/24/1027859024.db2.gz ASYCWVKOPUIREY-IBGZPJMESA-N 2 2 341.524 4.151 20 0 EIADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000444617757 1027894024 /nfs/dbraw/zinc/89/40/24/1027894024.db2.gz HVVFUVIEDVHWAJ-MRXNPFEDSA-N 2 2 332.385 4.285 20 0 EIADLP C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544372120 1027961535 /nfs/dbraw/zinc/96/15/35/1027961535.db2.gz WQUIIIIYXHQGRA-UHFFFAOYSA-N 2 2 331.872 4.262 20 0 EIADLP C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544372120 1027961547 /nfs/dbraw/zinc/96/15/47/1027961547.db2.gz WQUIIIIYXHQGRA-UHFFFAOYSA-N 2 2 331.872 4.262 20 0 EIADLP COCCC1(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000189035000 1028072374 /nfs/dbraw/zinc/07/23/74/1028072374.db2.gz LVNHPOBCZXVFHY-UHFFFAOYSA-N 2 2 341.499 4.008 20 0 EIADLP COCCC1(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000189037264 1028076145 /nfs/dbraw/zinc/07/61/45/1028076145.db2.gz DMLPMVNPJLMMKQ-UHFFFAOYSA-N 2 2 341.499 4.008 20 0 EIADLP COc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1 ZINC000523519399 1028173829 /nfs/dbraw/zinc/17/38/29/1028173829.db2.gz IMHPZZYJFOQMPN-SFHVURJKSA-N 2 2 338.495 4.448 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)Cn1cc[nH+]c1 ZINC000443967968 1028180619 /nfs/dbraw/zinc/18/06/19/1028180619.db2.gz VJERJPYMQKVBAR-MRXNPFEDSA-N 2 2 339.414 4.240 20 0 EIADLP CC(C)Oc1cccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346145333 1028278194 /nfs/dbraw/zinc/27/81/94/1028278194.db2.gz DEQRTHBIBSSVPQ-UHFFFAOYSA-N 2 2 341.480 4.353 20 0 EIADLP CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346145333 1028278215 /nfs/dbraw/zinc/27/82/15/1028278215.db2.gz DEQRTHBIBSSVPQ-UHFFFAOYSA-N 2 2 341.480 4.353 20 0 EIADLP CC[N@H+](CCc1cccs1)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346165743 1028300812 /nfs/dbraw/zinc/30/08/12/1028300812.db2.gz FENGIZHYMVNKGR-UHFFFAOYSA-N 2 2 349.569 4.036 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000346194040 1028317369 /nfs/dbraw/zinc/31/73/69/1028317369.db2.gz XOKNLNMVBZUERY-IBGZPJMESA-N 2 2 338.842 4.176 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000346194040 1028317381 /nfs/dbraw/zinc/31/73/81/1028317381.db2.gz XOKNLNMVBZUERY-IBGZPJMESA-N 2 2 338.842 4.176 20 0 EIADLP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346198881 1028323909 /nfs/dbraw/zinc/32/39/09/1028323909.db2.gz FSZYUUULJFZTCJ-OAHLLOKOSA-N 2 2 341.480 4.005 20 0 EIADLP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346198881 1028323930 /nfs/dbraw/zinc/32/39/30/1028323930.db2.gz FSZYUUULJFZTCJ-OAHLLOKOSA-N 2 2 341.480 4.005 20 0 EIADLP Fc1cc(C[NH2+][C@@H](c2cccnc2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000281010278 1028337053 /nfs/dbraw/zinc/33/70/53/1028337053.db2.gz YLWNYGWJVICRAX-HXUWFJFHSA-N 2 2 336.414 4.037 20 0 EIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125618167 1028438508 /nfs/dbraw/zinc/43/85/08/1028438508.db2.gz CFIWQTBMCIADFZ-NRFANRHFSA-N 2 2 348.494 4.131 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647291318 1028714415 /nfs/dbraw/zinc/71/44/15/1028714415.db2.gz MKVCYYALTDLLEM-HZPDHXFCSA-N 2 2 349.482 4.125 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347160307 1028895729 /nfs/dbraw/zinc/89/57/29/1028895729.db2.gz GMDJFXUSKHJMHD-HRAATJIYSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347160307 1028895735 /nfs/dbraw/zinc/89/57/35/1028895735.db2.gz GMDJFXUSKHJMHD-HRAATJIYSA-N 2 2 332.451 4.159 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)c1ccccc1 ZINC000583787244 1029173654 /nfs/dbraw/zinc/17/36/54/1029173654.db2.gz TYMAOUZAUWGHED-KBWCOIMZSA-N 2 2 330.516 4.151 20 0 EIADLP CC[N@@H+](Cc1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524752798 1029191748 /nfs/dbraw/zinc/19/17/48/1029191748.db2.gz BQJDBOSENPTIAM-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1ccc(F)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524752798 1029191759 /nfs/dbraw/zinc/19/17/59/1029191759.db2.gz BQJDBOSENPTIAM-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000343438857 1029244075 /nfs/dbraw/zinc/24/40/75/1029244075.db2.gz GHIFJXDIWAHEHO-UYAOXDASSA-N 2 2 346.478 4.392 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](c3ncccc3C)C1)CCC2 ZINC000343492940 1029361880 /nfs/dbraw/zinc/36/18/80/1029361880.db2.gz QOZVQFUXTZSVPX-GBESFXJTSA-N 2 2 338.499 4.088 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000131705158 1029372417 /nfs/dbraw/zinc/37/24/17/1029372417.db2.gz AVYNSASDAGCOFG-HNNXBMFYSA-N 2 2 326.469 4.008 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131705158 1029372442 /nfs/dbraw/zinc/37/24/42/1029372442.db2.gz AVYNSASDAGCOFG-HNNXBMFYSA-N 2 2 326.469 4.008 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657817993 1029528310 /nfs/dbraw/zinc/52/83/10/1029528310.db2.gz VAPMTTLQMUUQFK-INIZCTEOSA-N 2 2 335.451 4.143 20 0 EIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351884 1029570240 /nfs/dbraw/zinc/57/02/40/1029570240.db2.gz MXNWKNCVADQVTE-LTDKPHRXSA-N 2 2 344.465 4.374 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000446830182 1029595114 /nfs/dbraw/zinc/59/51/14/1029595114.db2.gz PJSMUVLNNBAZRJ-KRWDZBQOSA-N 2 2 328.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000133602645 1029597921 /nfs/dbraw/zinc/59/79/21/1029597921.db2.gz ZOPPUTXJLIBFCU-OXJNMPFZSA-N 2 2 333.435 4.437 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063212 1029602046 /nfs/dbraw/zinc/60/20/46/1029602046.db2.gz MMGPALBMAUGMSB-OPMZPASUSA-N 2 2 335.495 4.147 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063212 1029602050 /nfs/dbraw/zinc/60/20/50/1029602050.db2.gz MMGPALBMAUGMSB-OPMZPASUSA-N 2 2 335.495 4.147 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063212 1029602058 /nfs/dbraw/zinc/60/20/58/1029602058.db2.gz MMGPALBMAUGMSB-OPMZPASUSA-N 2 2 335.495 4.147 20 0 EIADLP Cc1cc2c(cn1)C[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168063212 1029602063 /nfs/dbraw/zinc/60/20/63/1029602063.db2.gz MMGPALBMAUGMSB-OPMZPASUSA-N 2 2 335.495 4.147 20 0 EIADLP Fc1ccc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc[nH+]c2c1 ZINC000301250151 1029693615 /nfs/dbraw/zinc/69/36/15/1029693615.db2.gz IXHPAUHVPQKAOV-UHFFFAOYSA-N 2 2 336.345 4.311 20 0 EIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(C)(C)C)cc1 ZINC000584297091 1029721715 /nfs/dbraw/zinc/72/17/15/1029721715.db2.gz VEAVFQZROBTWGQ-AZUAARDMSA-N 2 2 325.500 4.482 20 0 EIADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090100591 1029863485 /nfs/dbraw/zinc/86/34/85/1029863485.db2.gz XWYOPSLSNMATOR-PMACEKPBSA-N 2 2 339.458 4.115 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000090887359 1029865006 /nfs/dbraw/zinc/86/50/06/1029865006.db2.gz OXTCJXRXRPHTEW-YSGRDPCXSA-N 2 2 341.499 4.385 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000090887359 1029865007 /nfs/dbraw/zinc/86/50/07/1029865007.db2.gz OXTCJXRXRPHTEW-YSGRDPCXSA-N 2 2 341.499 4.385 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071838 1029899200 /nfs/dbraw/zinc/89/92/00/1029899200.db2.gz WRPQTTZCAISSLK-HNNXBMFYSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071838 1029899202 /nfs/dbraw/zinc/89/92/02/1029899202.db2.gz WRPQTTZCAISSLK-HNNXBMFYSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000121370020 1030024979 /nfs/dbraw/zinc/02/49/79/1030024979.db2.gz RXBVXYNUMHVMDJ-KXBFYZLASA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000121370020 1030025000 /nfs/dbraw/zinc/02/50/00/1030025000.db2.gz RXBVXYNUMHVMDJ-KXBFYZLASA-N 2 2 347.890 4.087 20 0 EIADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930172 1030105081 /nfs/dbraw/zinc/10/50/81/1030105081.db2.gz VUTXVJMIPWEILH-JKSUJKDBSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930172 1030105095 /nfs/dbraw/zinc/10/50/95/1030105095.db2.gz VUTXVJMIPWEILH-JKSUJKDBSA-N 2 2 337.458 4.224 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220305 1030215961 /nfs/dbraw/zinc/21/59/61/1030215961.db2.gz NMUBORVEJWTKTR-PBHICJAKSA-N 2 2 341.524 4.362 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447724731 1030309445 /nfs/dbraw/zinc/30/94/45/1030309445.db2.gz XXSMPYVXRUKJJB-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447724731 1030309466 /nfs/dbraw/zinc/30/94/66/1030309466.db2.gz XXSMPYVXRUKJJB-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447795677 1030330590 /nfs/dbraw/zinc/33/05/90/1030330590.db2.gz PGLSDSMYLJUOGN-UHFFFAOYSA-N 2 2 349.466 4.106 20 0 EIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447795677 1030330609 /nfs/dbraw/zinc/33/06/09/1030330609.db2.gz PGLSDSMYLJUOGN-UHFFFAOYSA-N 2 2 349.466 4.106 20 0 EIADLP CCCc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000685467049 1030357117 /nfs/dbraw/zinc/35/71/17/1030357117.db2.gz SIWRABBNTNLPJJ-UHFFFAOYSA-N 2 2 326.484 4.329 20 0 EIADLP CCCc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000685467049 1030357135 /nfs/dbraw/zinc/35/71/35/1030357135.db2.gz SIWRABBNTNLPJJ-UHFFFAOYSA-N 2 2 326.484 4.329 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3nccc4ccccc43)CC2)c[nH+]1 ZINC000685459649 1030358950 /nfs/dbraw/zinc/35/89/50/1030358950.db2.gz WHHDLDDBGGFFKK-UHFFFAOYSA-N 2 2 334.467 4.124 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(Cl)ccc2cccnc21 ZINC000685459718 1030359294 /nfs/dbraw/zinc/35/92/94/1030359294.db2.gz BIDKJBJNOVTVAN-UHFFFAOYSA-N 2 2 331.891 4.196 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(Cl)ccc2cccnc21 ZINC000685459718 1030359316 /nfs/dbraw/zinc/35/93/16/1030359316.db2.gz BIDKJBJNOVTVAN-UHFFFAOYSA-N 2 2 331.891 4.196 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000188026949 1030382492 /nfs/dbraw/zinc/38/24/92/1030382492.db2.gz IRENOTPKTMAFJV-NDXORKPFSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000188026949 1030382509 /nfs/dbraw/zinc/38/25/09/1030382509.db2.gz IRENOTPKTMAFJV-NDXORKPFSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001168168995 1030418746 /nfs/dbraw/zinc/41/87/46/1030418746.db2.gz WQBLKQONURYMDY-AWEZNQCLSA-N 2 2 325.843 4.466 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000191977824 1030668867 /nfs/dbraw/zinc/66/88/67/1030668867.db2.gz WLIKJXRXJOHVIV-QGZVFWFLSA-N 2 2 338.480 4.017 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000191977824 1030668882 /nfs/dbraw/zinc/66/88/82/1030668882.db2.gz WLIKJXRXJOHVIV-QGZVFWFLSA-N 2 2 338.480 4.017 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(OC)cc1 ZINC000192147893 1030673167 /nfs/dbraw/zinc/67/31/67/1030673167.db2.gz NUTRXDPMAMTXCC-OAQYLSRUSA-N 2 2 335.451 4.430 20 0 EIADLP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nc(C)cs1 ZINC000192112465 1030675198 /nfs/dbraw/zinc/67/51/98/1030675198.db2.gz FFBVUDMFAACGKJ-LJQANCHMSA-N 2 2 340.496 4.361 20 0 EIADLP Cc1csc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)n1 ZINC000192165168 1030676939 /nfs/dbraw/zinc/67/69/39/1030676939.db2.gz ADDKGOSBYXFGQL-GOSISDBHSA-N 2 2 338.480 4.187 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527524005 1030744315 /nfs/dbraw/zinc/74/43/15/1030744315.db2.gz HDQBPRUULNSVHA-HNNXBMFYSA-N 2 2 345.437 4.334 20 0 EIADLP C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000448336763 1030748348 /nfs/dbraw/zinc/74/83/48/1030748348.db2.gz HWQCVXVBGNMTRQ-GMAHTHKFSA-N 2 2 345.490 4.360 20 0 EIADLP C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000448336763 1030748364 /nfs/dbraw/zinc/74/83/64/1030748364.db2.gz HWQCVXVBGNMTRQ-GMAHTHKFSA-N 2 2 345.490 4.360 20 0 EIADLP C[NH+](Cc1cccc2ccccc21)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000448336763 1030748385 /nfs/dbraw/zinc/74/83/85/1030748385.db2.gz HWQCVXVBGNMTRQ-GMAHTHKFSA-N 2 2 345.490 4.360 20 0 EIADLP C[NH+](Cc1cccc2ccccc21)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000448336763 1030748403 /nfs/dbraw/zinc/74/84/03/1030748403.db2.gz HWQCVXVBGNMTRQ-GMAHTHKFSA-N 2 2 345.490 4.360 20 0 EIADLP COc1ccc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC000527780775 1030846510 /nfs/dbraw/zinc/84/65/10/1030846510.db2.gz JEQHPKRGIMGTRA-UHFFFAOYSA-N 2 2 345.443 4.106 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004884 1031027060 /nfs/dbraw/zinc/02/70/60/1031027060.db2.gz YBPQADCINUZXMG-WSTZPKSXSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004884 1031027079 /nfs/dbraw/zinc/02/70/79/1031027079.db2.gz YBPQADCINUZXMG-WSTZPKSXSA-N 2 2 327.516 4.023 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009157 1031037662 /nfs/dbraw/zinc/03/76/62/1031037662.db2.gz HASJJAHHQBRBHM-HTAPYJJXSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009157 1031037680 /nfs/dbraw/zinc/03/76/80/1031037680.db2.gz HASJJAHHQBRBHM-HTAPYJJXSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532448164 1031075372 /nfs/dbraw/zinc/07/53/72/1031075372.db2.gz SJQNLCLADFSNJH-FUHIMQAGSA-N 2 2 327.472 4.118 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000628230712 1031243563 /nfs/dbraw/zinc/24/35/63/1031243563.db2.gz QHSLIJQJNSNKLZ-QWFCFKBJSA-N 2 2 329.532 4.413 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532514398 1031245052 /nfs/dbraw/zinc/24/50/52/1031245052.db2.gz BYCLPZOYMBXYEZ-HXUWFJFHSA-N 2 2 330.516 4.007 20 0 EIADLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000628230344 1031250290 /nfs/dbraw/zinc/25/02/90/1031250290.db2.gz DBHXWANWJURFBE-MOPGFXCFSA-N 2 2 337.511 4.309 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000375837670 1031326236 /nfs/dbraw/zinc/32/62/36/1031326236.db2.gz HJBIOGBKLMMVLE-BXWFABGCSA-N 2 2 329.513 4.185 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000375837670 1031326254 /nfs/dbraw/zinc/32/62/54/1031326254.db2.gz HJBIOGBKLMMVLE-BXWFABGCSA-N 2 2 329.513 4.185 20 0 EIADLP CC[N@@H+](Cc1csc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449032121 1031366421 /nfs/dbraw/zinc/36/64/21/1031366421.db2.gz XVGKQNREFDUICC-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP CC[N@H+](Cc1csc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449032121 1031366440 /nfs/dbraw/zinc/36/64/40/1031366440.db2.gz XVGKQNREFDUICC-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000531684410 1031474188 /nfs/dbraw/zinc/47/41/88/1031474188.db2.gz CXCKKKXBCVABBV-LSDHHAIUSA-N 2 2 328.485 4.055 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCCC23CCC3)CCOCC1)c1ccccc1 ZINC000449158508 1031488398 /nfs/dbraw/zinc/48/83/98/1031488398.db2.gz UKPFKBGXFLQADV-UYAOXDASSA-N 2 2 342.527 4.199 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@@H]1c1cccs1 ZINC000449161372 1031501850 /nfs/dbraw/zinc/50/18/50/1031501850.db2.gz ORJBBHAXFKBZQS-MAUKXSAKSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@@H]1c1cccs1 ZINC000449161372 1031501861 /nfs/dbraw/zinc/50/18/61/1031501861.db2.gz ORJBBHAXFKBZQS-MAUKXSAKSA-N 2 2 341.480 4.062 20 0 EIADLP COCC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000449195307 1031513165 /nfs/dbraw/zinc/51/31/65/1031513165.db2.gz UUARKMBBKJPPOL-GZNCHQMQSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2sccc21 ZINC000453059673 1031549962 /nfs/dbraw/zinc/54/99/62/1031549962.db2.gz MXYZVJDSYSCSSG-WMLDXEAASA-N 2 2 327.497 4.340 20 0 EIADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453088991 1031579626 /nfs/dbraw/zinc/57/96/26/1031579626.db2.gz ZSIXXJVXYLWSAB-KRWDZBQOSA-N 2 2 327.472 4.255 20 0 EIADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453088991 1031579633 /nfs/dbraw/zinc/57/96/33/1031579633.db2.gz ZSIXXJVXYLWSAB-KRWDZBQOSA-N 2 2 327.472 4.255 20 0 EIADLP Clc1ccc(C2=CC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000449259078 1031581741 /nfs/dbraw/zinc/58/17/41/1031581741.db2.gz POHXHXROOFIXLY-MSOLQXFVSA-N 2 2 327.859 4.077 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCOCC1)c1ccccc1 ZINC000453106831 1031598330 /nfs/dbraw/zinc/59/83/30/1031598330.db2.gz FPEWBYHYXBJXGA-DYESRHJHSA-N 2 2 342.527 4.055 20 0 EIADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000449296270 1031604581 /nfs/dbraw/zinc/60/45/81/1031604581.db2.gz YIYXWMBSCORPIU-JCYILVPMSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449331211 1031625922 /nfs/dbraw/zinc/62/59/22/1031625922.db2.gz NRPJZEYWUKJVIL-HNNXBMFYSA-N 2 2 348.437 4.258 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000126409392 1031648263 /nfs/dbraw/zinc/64/82/63/1031648263.db2.gz HIMBYQFYCOTEPN-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cs1 ZINC000453176534 1031650148 /nfs/dbraw/zinc/65/01/48/1031650148.db2.gz RCVJAULUTVYPEU-JKSUJKDBSA-N 2 2 329.513 4.328 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cs1 ZINC000453176533 1031650219 /nfs/dbraw/zinc/65/02/19/1031650219.db2.gz RCVJAULUTVYPEU-HZPDHXFCSA-N 2 2 329.513 4.328 20 0 EIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCSCC1 ZINC000449350999 1031650825 /nfs/dbraw/zinc/65/08/25/1031650825.db2.gz NCHPFQVQJMSVGS-CYBMUJFWSA-N 2 2 335.904 4.147 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000449558729 1031846408 /nfs/dbraw/zinc/84/64/08/1031846408.db2.gz ZOXNCHNRYGPTKR-MQVJKMGUSA-N 2 2 328.431 4.109 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000449558729 1031846412 /nfs/dbraw/zinc/84/64/12/1031846412.db2.gz ZOXNCHNRYGPTKR-MQVJKMGUSA-N 2 2 328.431 4.109 20 0 EIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000453334218 1031857952 /nfs/dbraw/zinc/85/79/52/1031857952.db2.gz CGKGXQPOWBQDMH-DSZSVDOYSA-N 2 2 337.305 4.115 20 0 EIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000453334218 1031857956 /nfs/dbraw/zinc/85/79/56/1031857956.db2.gz CGKGXQPOWBQDMH-DSZSVDOYSA-N 2 2 337.305 4.115 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459361128 1031929515 /nfs/dbraw/zinc/92/95/15/1031929515.db2.gz FSFLDQYOKKAMCK-KRWDZBQOSA-N 2 2 337.389 4.209 20 0 EIADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459361128 1031929531 /nfs/dbraw/zinc/92/95/31/1031929531.db2.gz FSFLDQYOKKAMCK-KRWDZBQOSA-N 2 2 337.389 4.209 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000459372735 1031978965 /nfs/dbraw/zinc/97/89/65/1031978965.db2.gz ZPMJIVFGQMJYDK-XHDPSFHLSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000459372735 1031978973 /nfs/dbraw/zinc/97/89/73/1031978973.db2.gz ZPMJIVFGQMJYDK-XHDPSFHLSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372735 1031978983 /nfs/dbraw/zinc/97/89/83/1031978983.db2.gz ZPMJIVFGQMJYDK-XHDPSFHLSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372735 1031978989 /nfs/dbraw/zinc/97/89/89/1031978989.db2.gz ZPMJIVFGQMJYDK-XHDPSFHLSA-N 2 2 345.712 4.017 20 0 EIADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000453584736 1032030629 /nfs/dbraw/zinc/03/06/29/1032030629.db2.gz HOWCQHQXMWHNCW-UHFFFAOYSA-N 2 2 345.350 4.172 20 0 EIADLP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152125789 1033543436 /nfs/dbraw/zinc/54/34/36/1033543436.db2.gz OQEAPOZGACZMHW-KRWDZBQOSA-N 2 2 335.451 4.181 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152134035 1033559397 /nfs/dbraw/zinc/55/93/97/1033559397.db2.gz NPUPOIOLXVIUNS-VFNWGFHPSA-N 2 2 335.426 4.094 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512738426 1033839078 /nfs/dbraw/zinc/83/90/78/1033839078.db2.gz FIGLVLJHAJCEKZ-UHFFFAOYSA-N 2 2 347.462 4.465 20 0 EIADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C(C)(C)C ZINC000236987378 1033900130 /nfs/dbraw/zinc/90/01/30/1033900130.db2.gz SIAYTXFIHHOAJY-AWEZNQCLSA-N 2 2 334.476 4.191 20 0 EIADLP CC[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018926 1035063488 /nfs/dbraw/zinc/06/34/88/1035063488.db2.gz UACRLQYZGBHSOZ-COPCDDAFSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018926 1035063501 /nfs/dbraw/zinc/06/35/01/1035063501.db2.gz UACRLQYZGBHSOZ-COPCDDAFSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018926 1035063515 /nfs/dbraw/zinc/06/35/15/1035063515.db2.gz UACRLQYZGBHSOZ-COPCDDAFSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018926 1035063525 /nfs/dbraw/zinc/06/35/25/1035063525.db2.gz UACRLQYZGBHSOZ-COPCDDAFSA-N 2 2 337.511 4.200 20 0 EIADLP CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420320170 1035512627 /nfs/dbraw/zinc/51/26/27/1035512627.db2.gz YLEFMKXUWOSRJH-CQSZACIVSA-N 2 2 349.931 4.428 20 0 EIADLP CC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420320170 1035512642 /nfs/dbraw/zinc/51/26/42/1035512642.db2.gz YLEFMKXUWOSRJH-CQSZACIVSA-N 2 2 349.931 4.428 20 0 EIADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCC4)cc2)c[nH+]1 ZINC000490583069 1035536301 /nfs/dbraw/zinc/53/63/01/1035536301.db2.gz VEVFGAXDDYBPSB-UHFFFAOYSA-N 2 2 331.463 4.100 20 0 EIADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000571254430 1036011768 /nfs/dbraw/zinc/01/17/68/1036011768.db2.gz JQIJAQDCWISIRX-ZDUSSCGKSA-N 2 2 342.270 4.027 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCOCC1)c1ccccc1 ZINC000502281664 1036039849 /nfs/dbraw/zinc/03/98/49/1036039849.db2.gz LTQVROFFKZYCCE-MJUUVYJYSA-N 2 2 342.527 4.055 20 0 EIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333328 1036094826 /nfs/dbraw/zinc/09/48/26/1036094826.db2.gz OBBPAYVSHZRZBN-AJNOYIKESA-N 2 2 339.458 4.251 20 0 EIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333328 1036094849 /nfs/dbraw/zinc/09/48/49/1036094849.db2.gz OBBPAYVSHZRZBN-AJNOYIKESA-N 2 2 339.458 4.251 20 0 EIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333338 1036098840 /nfs/dbraw/zinc/09/88/40/1036098840.db2.gz OBBPAYVSHZRZBN-YWPBOTNQSA-N 2 2 339.458 4.251 20 0 EIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333338 1036098863 /nfs/dbraw/zinc/09/88/63/1036098863.db2.gz OBBPAYVSHZRZBN-YWPBOTNQSA-N 2 2 339.458 4.251 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571690107 1036124533 /nfs/dbraw/zinc/12/45/33/1036124533.db2.gz YSXVTETYJYNWHN-ZRAXVTTISA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571690107 1036124559 /nfs/dbraw/zinc/12/45/59/1036124559.db2.gz YSXVTETYJYNWHN-ZRAXVTTISA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000486728360 1036831886 /nfs/dbraw/zinc/83/18/86/1036831886.db2.gz IBKNPNXFQJQMBN-CQSZACIVSA-N 2 2 334.398 4.344 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421895414 1036845409 /nfs/dbraw/zinc/84/54/09/1036845409.db2.gz YNFDDSIUZLYAIH-WBVHZDCISA-N 2 2 327.497 4.056 20 0 EIADLP Cc1cccc(OCCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1C ZINC000486792138 1036856638 /nfs/dbraw/zinc/85/66/38/1036856638.db2.gz RITFCIPTVAJAKR-UHFFFAOYSA-N 2 2 341.480 4.109 20 0 EIADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2cc(F)ccc12)c1c(F)cccc1F ZINC000604379040 1037367999 /nfs/dbraw/zinc/36/79/99/1037367999.db2.gz IICCDGPVGXWYDA-SFHVURJKSA-N 2 2 345.368 4.367 20 0 EIADLP CC(C)(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000669714422 1037368370 /nfs/dbraw/zinc/36/83/70/1037368370.db2.gz LNUBMYPTICSSNA-SFHVURJKSA-N 2 2 337.511 4.377 20 0 EIADLP CC(C)(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000669714422 1037368386 /nfs/dbraw/zinc/36/83/86/1037368386.db2.gz LNUBMYPTICSSNA-SFHVURJKSA-N 2 2 337.511 4.377 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442035 1037768411 /nfs/dbraw/zinc/76/84/11/1037768411.db2.gz QBHOKMAMZSNGHW-WIYYLYMNSA-N 2 2 349.522 4.204 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442035 1037768420 /nfs/dbraw/zinc/76/84/20/1037768420.db2.gz QBHOKMAMZSNGHW-WIYYLYMNSA-N 2 2 349.522 4.204 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000503572247 1037821791 /nfs/dbraw/zinc/82/17/91/1037821791.db2.gz SLRBROPICRUTPJ-IRELMECMSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000503572247 1037821795 /nfs/dbraw/zinc/82/17/95/1037821795.db2.gz SLRBROPICRUTPJ-IRELMECMSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000503572247 1037821796 /nfs/dbraw/zinc/82/17/96/1037821796.db2.gz SLRBROPICRUTPJ-IRELMECMSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000503572247 1037821799 /nfs/dbraw/zinc/82/17/99/1037821799.db2.gz SLRBROPICRUTPJ-IRELMECMSA-N 2 2 338.417 4.135 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC000422745039 1037822066 /nfs/dbraw/zinc/82/20/66/1037822066.db2.gz ULQQAESAYUWCMU-DHIUTWEWSA-N 3 2 349.522 4.153 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422743185 1037822150 /nfs/dbraw/zinc/82/21/50/1037822150.db2.gz RAEQHQRRCWZGKK-XHBSWPGZSA-N 2 2 333.476 4.049 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422890623 1037856486 /nfs/dbraw/zinc/85/64/86/1037856486.db2.gz SQJHKMWJXZKWNI-VBQJREDUSA-N 2 2 329.513 4.218 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055911 1037925262 /nfs/dbraw/zinc/92/52/62/1037925262.db2.gz DYQWRLHMAQFQKS-XDTLVQLUSA-N 2 2 337.286 4.306 20 0 EIADLP CC[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCC[NH2+]1 ZINC000423097977 1037958974 /nfs/dbraw/zinc/95/89/74/1037958974.db2.gz BWFGVVFDSIZSRT-CVEARBPZSA-N 2 2 335.904 4.084 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423120670 1037970329 /nfs/dbraw/zinc/97/03/29/1037970329.db2.gz HFLHKPXHENCAJG-CWRNSKLLSA-N 2 2 332.900 4.472 20 0 EIADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)CCC2 ZINC000423248008 1038082092 /nfs/dbraw/zinc/08/20/92/1038082092.db2.gz REUGPRWXWLANAH-IAGOWNOFSA-N 2 2 329.513 4.242 20 0 EIADLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000423309058 1038106095 /nfs/dbraw/zinc/10/60/95/1038106095.db2.gz YSPQIKHAJUKROK-GFCCVEGCSA-N 2 2 334.822 4.141 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC[NH2+]1 ZINC000423369187 1038182127 /nfs/dbraw/zinc/18/21/27/1038182127.db2.gz FQRRWPJQRMFJOX-ZNZDAUKMSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC[NH2+]1 ZINC000423369185 1038186303 /nfs/dbraw/zinc/18/63/03/1038186303.db2.gz FQRRWPJQRMFJOX-VMDGZTHMSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423365653 1038187359 /nfs/dbraw/zinc/18/73/59/1038187359.db2.gz ZWSBSWIQHQAJEL-QVKFZJNVSA-N 2 2 332.451 4.183 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556824 1038294685 /nfs/dbraw/zinc/29/46/85/1038294685.db2.gz MTILJOCXGVBWKI-LRDDRELGSA-N 2 2 333.476 4.050 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(F)cn1 ZINC000490190683 1038380090 /nfs/dbraw/zinc/38/00/90/1038380090.db2.gz LBVAFGMBKPZONY-FQEVSTJZSA-N 2 2 341.474 4.234 20 0 EIADLP CCCOc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608076324 1038499865 /nfs/dbraw/zinc/49/98/65/1038499865.db2.gz ZHSYQYUDUMAPMK-NRFANRHFSA-N 2 2 349.478 4.283 20 0 EIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000647934640 1038719714 /nfs/dbraw/zinc/71/97/14/1038719714.db2.gz LEPHJQAPFKVLRX-CKEIUWERSA-N 2 2 347.890 4.424 20 0 EIADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000647934640 1038719861 /nfs/dbraw/zinc/71/98/61/1038719861.db2.gz LEPHJQAPFKVLRX-CKEIUWERSA-N 2 2 347.890 4.424 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000480777379 1038803498 /nfs/dbraw/zinc/80/34/98/1038803498.db2.gz IGNPQFKHYBJDDE-KRWDZBQOSA-N 2 2 326.484 4.200 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000424322163 1038804934 /nfs/dbraw/zinc/80/49/34/1038804934.db2.gz UZYACOCZIWTTNB-KBPBESRZSA-N 2 2 333.863 4.082 20 0 EIADLP CC[N@@H+](Cc1cccc(F)c1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510614 1038841418 /nfs/dbraw/zinc/84/14/18/1038841418.db2.gz MVVVBMMWVGBENS-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1cccc(F)c1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510614 1038841420 /nfs/dbraw/zinc/84/14/20/1038841420.db2.gz MVVVBMMWVGBENS-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000462108313 1038909388 /nfs/dbraw/zinc/90/93/88/1038909388.db2.gz DTAOXZNANHHJQM-UHFFFAOYSA-N 2 2 345.490 4.032 20 0 EIADLP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481045420 1038977473 /nfs/dbraw/zinc/97/74/73/1038977473.db2.gz XDVPTBVWDXHOBP-CVEARBPZSA-N 2 2 339.414 4.130 20 0 EIADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)o1 ZINC000539364619 1039028315 /nfs/dbraw/zinc/02/83/15/1039028315.db2.gz GEXKCSMVNSBRKY-FQEVSTJZSA-N 2 2 327.472 4.184 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)s2)cc1 ZINC000552110266 1039138477 /nfs/dbraw/zinc/13/84/77/1039138477.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)s2)cc1 ZINC000552110266 1039138494 /nfs/dbraw/zinc/13/84/94/1039138494.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)s2)cc1 ZINC000552110266 1039138508 /nfs/dbraw/zinc/13/85/08/1039138508.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)s2)cc1 ZINC000552110266 1039138521 /nfs/dbraw/zinc/13/85/21/1039138521.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 2 2 341.524 4.036 20 0 EIADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000090176732 1039187920 /nfs/dbraw/zinc/18/79/20/1039187920.db2.gz VOQMIRUUVRAFLP-QRWLVFNGSA-N 2 2 339.414 4.050 20 0 EIADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000090417325 1039224415 /nfs/dbraw/zinc/22/44/15/1039224415.db2.gz DRPHZRPSQGGOBB-GJZGRUSLSA-N 2 2 329.513 4.328 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3ccc(Cl)cc31)CCC2 ZINC000534238852 1039236321 /nfs/dbraw/zinc/23/63/21/1039236321.db2.gz MPYWLPZWLLBCCV-MAUKXSAKSA-N 2 2 329.875 4.390 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000090667889 1039273453 /nfs/dbraw/zinc/27/34/53/1039273453.db2.gz FSHNABXDQIDQJL-HUUCEWRRSA-N 2 2 345.437 4.236 20 0 EIADLP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667127 1039276139 /nfs/dbraw/zinc/27/61/39/1039276139.db2.gz HMKOWEVXSGHIRL-HOTGVXAUSA-N 2 2 335.561 4.117 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667068 1039277250 /nfs/dbraw/zinc/27/72/50/1039277250.db2.gz FLIVWFFRORIAGI-MAUKXSAKSA-N 2 2 329.513 4.409 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)n2c1CCCC2 ZINC000503406873 1039347682 /nfs/dbraw/zinc/34/76/82/1039347682.db2.gz OCLNYOMUBDIIIR-GOSISDBHSA-N 2 2 345.531 4.138 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCOC3CCCCCC3)C2)n2c1CCCC2 ZINC000503406873 1039347707 /nfs/dbraw/zinc/34/77/07/1039347707.db2.gz OCLNYOMUBDIIIR-GOSISDBHSA-N 2 2 345.531 4.138 20 0 EIADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552272122 1039348469 /nfs/dbraw/zinc/34/84/69/1039348469.db2.gz CMLHJFQCJCNXKU-MRXNPFEDSA-N 2 2 348.412 4.058 20 0 EIADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552272122 1039348486 /nfs/dbraw/zinc/34/84/86/1039348486.db2.gz CMLHJFQCJCNXKU-MRXNPFEDSA-N 2 2 348.412 4.058 20 0 EIADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552272122 1039348501 /nfs/dbraw/zinc/34/85/01/1039348501.db2.gz CMLHJFQCJCNXKU-MRXNPFEDSA-N 2 2 348.412 4.058 20 0 EIADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552272122 1039348516 /nfs/dbraw/zinc/34/85/16/1039348516.db2.gz CMLHJFQCJCNXKU-MRXNPFEDSA-N 2 2 348.412 4.058 20 0 EIADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347173 1039457377 /nfs/dbraw/zinc/45/73/77/1039457377.db2.gz HILYAGPYAAWHLF-RZMNMVRNSA-N 2 2 332.919 4.392 20 0 EIADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347173 1039457400 /nfs/dbraw/zinc/45/74/00/1039457400.db2.gz HILYAGPYAAWHLF-RZMNMVRNSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347173 1039457425 /nfs/dbraw/zinc/45/74/25/1039457425.db2.gz HILYAGPYAAWHLF-RZMNMVRNSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347173 1039457441 /nfs/dbraw/zinc/45/74/41/1039457441.db2.gz HILYAGPYAAWHLF-RZMNMVRNSA-N 2 2 332.919 4.392 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434547232 1039608942 /nfs/dbraw/zinc/60/89/42/1039608942.db2.gz MFLGRGPYFKRFSN-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434547232 1039608960 /nfs/dbraw/zinc/60/89/60/1039608960.db2.gz MFLGRGPYFKRFSN-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCNc1cccc[nH+]1 ZINC000481640048 1039668156 /nfs/dbraw/zinc/66/81/56/1039668156.db2.gz JPGQWPFZTSLMSU-AWEZNQCLSA-N 2 2 337.389 4.123 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514244616 1039806289 /nfs/dbraw/zinc/80/62/89/1039806289.db2.gz LCHCUIUANKJAGX-LSDHHAIUSA-N 2 2 336.907 4.091 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000514244616 1039806294 /nfs/dbraw/zinc/80/62/94/1039806294.db2.gz LCHCUIUANKJAGX-LSDHHAIUSA-N 2 2 336.907 4.091 20 0 EIADLP COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096982405 1039856896 /nfs/dbraw/zinc/85/68/96/1039856896.db2.gz PFIJTVKFTRNGCA-UHFFFAOYSA-N 2 2 341.842 4.166 20 0 EIADLP COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096982405 1039856899 /nfs/dbraw/zinc/85/68/99/1039856899.db2.gz PFIJTVKFTRNGCA-UHFFFAOYSA-N 2 2 341.842 4.166 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000434760093 1039860921 /nfs/dbraw/zinc/86/09/21/1039860921.db2.gz YAGJDADQRXOQKK-HBFSDRIKSA-N 2 2 344.543 4.301 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000434760088 1039862535 /nfs/dbraw/zinc/86/25/35/1039862535.db2.gz YAGJDADQRXOQKK-BJLQDIEVSA-N 2 2 344.543 4.301 20 0 EIADLP Fc1cc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)ccc1-n1cc[nH+]c1 ZINC000479194311 1040189459 /nfs/dbraw/zinc/18/94/59/1040189459.db2.gz NOGSYARBEFMWKA-GOSISDBHSA-N 2 2 341.817 4.442 20 0 EIADLP Cc1cc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc(C2CC2)[nH+]1 ZINC000477167127 1040275328 /nfs/dbraw/zinc/27/53/28/1040275328.db2.gz NKTVPUOVRNDZLA-QGZVFWFLSA-N 2 2 342.531 4.143 20 0 EIADLP Cc1cc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc(C2CC2)[nH+]1 ZINC000477167127 1040275345 /nfs/dbraw/zinc/27/53/45/1040275345.db2.gz NKTVPUOVRNDZLA-QGZVFWFLSA-N 2 2 342.531 4.143 20 0 EIADLP Cc1cc2[nH]c(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cc2c(C)c1 ZINC000479383599 1040300766 /nfs/dbraw/zinc/30/07/66/1040300766.db2.gz MKBFADQOVAFICY-UHFFFAOYSA-N 2 2 330.435 4.260 20 0 EIADLP Fc1cc(Cl)cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435388501 1040342654 /nfs/dbraw/zinc/34/26/54/1040342654.db2.gz GAEWKMNEJXZSSN-IBGZPJMESA-N 2 2 347.865 4.018 20 0 EIADLP Fc1cc(Cl)cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435388501 1040342675 /nfs/dbraw/zinc/34/26/75/1040342675.db2.gz GAEWKMNEJXZSSN-IBGZPJMESA-N 2 2 347.865 4.018 20 0 EIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479534706 1040439480 /nfs/dbraw/zinc/43/94/80/1040439480.db2.gz XJMVVMKLVHQTRX-OOHWJJMZSA-N 2 2 336.907 4.406 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479546480 1040450280 /nfs/dbraw/zinc/45/02/80/1040450280.db2.gz UMCCHBPHIKLURE-TVPLGVNVSA-N 2 2 348.918 4.469 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000539469716 1040461058 /nfs/dbraw/zinc/46/10/58/1040461058.db2.gz XOWUKMWCRFVOSE-GPMSIDNRSA-N 2 2 344.524 4.466 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000539469716 1040461064 /nfs/dbraw/zinc/46/10/64/1040461064.db2.gz XOWUKMWCRFVOSE-GPMSIDNRSA-N 2 2 344.524 4.466 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200553 1040549654 /nfs/dbraw/zinc/54/96/54/1040549654.db2.gz OFYHEOPGTRHLEZ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200553 1040549674 /nfs/dbraw/zinc/54/96/74/1040549674.db2.gz OFYHEOPGTRHLEZ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200553 1040549697 /nfs/dbraw/zinc/54/96/97/1040549697.db2.gz OFYHEOPGTRHLEZ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200553 1040549720 /nfs/dbraw/zinc/54/97/20/1040549720.db2.gz OFYHEOPGTRHLEZ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000539657847 1040661296 /nfs/dbraw/zinc/66/12/96/1040661296.db2.gz BMTAQKDCOABOAC-MJGOQNOKSA-N 2 2 338.499 4.012 20 0 EIADLP CCC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000539660569 1040663696 /nfs/dbraw/zinc/66/36/96/1040663696.db2.gz ZIFGXIXEEWIBBC-WOJBJXKFSA-N 2 2 338.499 4.175 20 0 EIADLP CCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000539660562 1040664760 /nfs/dbraw/zinc/66/47/60/1040664760.db2.gz ZIFGXIXEEWIBBC-PMACEKPBSA-N 2 2 338.499 4.175 20 0 EIADLP Fc1cccc(CC2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)c1 ZINC000479872846 1040734604 /nfs/dbraw/zinc/73/46/04/1040734604.db2.gz MHOSLSZNSCXTCM-UHFFFAOYSA-N 2 2 341.455 4.328 20 0 EIADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480011123 1040862289 /nfs/dbraw/zinc/86/22/89/1040862289.db2.gz GCDLZSRZRFTKNG-ZDUSSCGKSA-N 2 2 332.435 4.087 20 0 EIADLP COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000483514192 1040883973 /nfs/dbraw/zinc/88/39/73/1040883973.db2.gz RIVKBXRUXBERDS-QGZVFWFLSA-N 2 2 335.451 4.382 20 0 EIADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000483514192 1040883980 /nfs/dbraw/zinc/88/39/80/1040883980.db2.gz RIVKBXRUXBERDS-QGZVFWFLSA-N 2 2 335.451 4.382 20 0 EIADLP COc1cccc2c(NC[C@H](c3ccsc3)[NH+](C)C)cc[nH+]c12 ZINC000436200683 1040954276 /nfs/dbraw/zinc/95/42/76/1040954276.db2.gz WLXUUASVPLZVLD-MRXNPFEDSA-N 2 2 327.453 4.020 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483713725 1040983596 /nfs/dbraw/zinc/98/35/96/1040983596.db2.gz NNGJJDJMGOZXBT-RLFYNMQTSA-N 2 2 343.540 4.176 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483713725 1040983619 /nfs/dbraw/zinc/98/36/19/1040983619.db2.gz NNGJJDJMGOZXBT-RLFYNMQTSA-N 2 2 343.540 4.176 20 0 EIADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)CCC2 ZINC000480160290 1041014750 /nfs/dbraw/zinc/01/47/50/1041014750.db2.gz OGJZAOPLAIHKTK-QGZVFWFLSA-N 2 2 343.540 4.195 20 0 EIADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)CCC2 ZINC000480160290 1041014759 /nfs/dbraw/zinc/01/47/59/1041014759.db2.gz OGJZAOPLAIHKTK-QGZVFWFLSA-N 2 2 343.540 4.195 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cn1 ZINC000480164272 1041023545 /nfs/dbraw/zinc/02/35/45/1041023545.db2.gz GGHCBKBNGMODJF-GJYPPUQNSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cn1 ZINC000480164272 1041023557 /nfs/dbraw/zinc/02/35/57/1041023557.db2.gz GGHCBKBNGMODJF-GJYPPUQNSA-N 2 2 343.902 4.296 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000436280903 1041027026 /nfs/dbraw/zinc/02/70/26/1041027026.db2.gz LWESHEBMGMRTJG-NFBKMPQASA-N 2 2 345.490 4.432 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1)C[NH+]1CCCC1 ZINC000462881681 1041065501 /nfs/dbraw/zinc/06/55/01/1041065501.db2.gz PWYMTDNYEOICEZ-HUUCEWRRSA-N 2 2 347.503 4.332 20 0 EIADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000480281259 1041176870 /nfs/dbraw/zinc/17/68/70/1041176870.db2.gz WARPCGIUABXSSJ-QFIPXVFZSA-N 2 2 337.511 4.207 20 0 EIADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000480281259 1041176880 /nfs/dbraw/zinc/17/68/80/1041176880.db2.gz WARPCGIUABXSSJ-QFIPXVFZSA-N 2 2 337.511 4.207 20 0 EIADLP Clc1sccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000480371260 1041256195 /nfs/dbraw/zinc/25/61/95/1041256195.db2.gz QBJXDZLJDLYABI-MRXNPFEDSA-N 2 2 334.916 4.056 20 0 EIADLP Clc1sccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000480371260 1041256209 /nfs/dbraw/zinc/25/62/09/1041256209.db2.gz QBJXDZLJDLYABI-MRXNPFEDSA-N 2 2 334.916 4.056 20 0 EIADLP C[C@@H]1CCN(c2cc[nH+]c3ccsc32)CC[N@@H+]1Cc1ccccc1 ZINC000463061969 1041296874 /nfs/dbraw/zinc/29/68/74/1041296874.db2.gz MAIYJEANARACJO-MRXNPFEDSA-N 2 2 337.492 4.397 20 0 EIADLP C[C@@H]1CCN(c2cc[nH+]c3ccsc32)CC[N@H+]1Cc1ccccc1 ZINC000463061969 1041296885 /nfs/dbraw/zinc/29/68/85/1041296885.db2.gz MAIYJEANARACJO-MRXNPFEDSA-N 2 2 337.492 4.397 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccsc2S1 ZINC000156235292 1041363891 /nfs/dbraw/zinc/36/38/91/1041363891.db2.gz PEFFXUJJFNAYGR-BBRMVZONSA-N 2 2 345.537 4.327 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480555907 1041384737 /nfs/dbraw/zinc/38/47/37/1041384737.db2.gz ONABTULEVXAFHM-GOSISDBHSA-N 2 2 333.479 4.387 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516218494 1041458208 /nfs/dbraw/zinc/45/82/08/1041458208.db2.gz CBAVSCOKIOVHRJ-AOMKIAJQSA-N 2 2 349.453 4.484 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516215005 1041467150 /nfs/dbraw/zinc/46/71/50/1041467150.db2.gz AMZBIIOGFQDKMG-FYYLOGMGSA-N 2 2 334.507 4.387 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000516215005 1041467155 /nfs/dbraw/zinc/46/71/55/1041467155.db2.gz AMZBIIOGFQDKMG-FYYLOGMGSA-N 2 2 334.507 4.387 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538717400 1041486080 /nfs/dbraw/zinc/48/60/80/1041486080.db2.gz YGULSDXUYVFHKO-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538717400 1041486084 /nfs/dbraw/zinc/48/60/84/1041486084.db2.gz YGULSDXUYVFHKO-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718801 1041490927 /nfs/dbraw/zinc/49/09/27/1041490927.db2.gz OKBDZLBUNZIYGN-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718801 1041490932 /nfs/dbraw/zinc/49/09/32/1041490932.db2.gz OKBDZLBUNZIYGN-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718801 1041490937 /nfs/dbraw/zinc/49/09/37/1041490937.db2.gz OKBDZLBUNZIYGN-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718801 1041490941 /nfs/dbraw/zinc/49/09/41/1041490941.db2.gz OKBDZLBUNZIYGN-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480730124 1041502224 /nfs/dbraw/zinc/50/22/24/1041502224.db2.gz OXZMSBRZDRFJIE-INIZCTEOSA-N 2 2 335.426 4.394 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000516291009 1041503582 /nfs/dbraw/zinc/50/35/82/1041503582.db2.gz FIUYGTVPGYLJBY-QWHCGFSZSA-N 2 2 346.359 4.114 20 0 EIADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554583 1041539112 /nfs/dbraw/zinc/53/91/12/1041539112.db2.gz QVWHOBURZDICBF-PBHICJAKSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554583 1041539126 /nfs/dbraw/zinc/53/91/26/1041539126.db2.gz QVWHOBURZDICBF-PBHICJAKSA-N 2 2 337.389 4.375 20 0 EIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC000540723943 1041615189 /nfs/dbraw/zinc/61/51/89/1041615189.db2.gz RHLIAHXHZCAWQO-UHFFFAOYSA-N 2 2 338.470 4.112 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811812 1041772809 /nfs/dbraw/zinc/77/28/09/1041772809.db2.gz KMWAODLZCAUNHQ-QFBILLFUSA-N 2 2 328.456 4.234 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811812 1041772817 /nfs/dbraw/zinc/77/28/17/1041772817.db2.gz KMWAODLZCAUNHQ-QFBILLFUSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811812 1041772824 /nfs/dbraw/zinc/77/28/24/1041772824.db2.gz KMWAODLZCAUNHQ-QFBILLFUSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811812 1041772827 /nfs/dbraw/zinc/77/28/27/1041772827.db2.gz KMWAODLZCAUNHQ-QFBILLFUSA-N 2 2 328.456 4.234 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000541539023 1041988910 /nfs/dbraw/zinc/98/89/10/1041988910.db2.gz VSRCCRVJSCUATQ-CRAIPNDOSA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000541539023 1041988916 /nfs/dbraw/zinc/98/89/16/1041988916.db2.gz VSRCCRVJSCUATQ-CRAIPNDOSA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)c(F)c1 ZINC000541549055 1042006606 /nfs/dbraw/zinc/00/66/06/1042006606.db2.gz PDUDJVXTFXYJAG-UHFFFAOYSA-N 2 2 333.407 4.237 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000464771802 1042150773 /nfs/dbraw/zinc/15/07/73/1042150773.db2.gz GYQDKWWGZRSQJJ-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000464771802 1042150775 /nfs/dbraw/zinc/15/07/75/1042150775.db2.gz GYQDKWWGZRSQJJ-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP C[C@H]([NH2+]CCCOCCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542009574 1042230747 /nfs/dbraw/zinc/23/07/47/1042230747.db2.gz MUCWUQZLNJZGTD-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP CCc1cccc2c(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c[nH]c21 ZINC000518452288 1042526949 /nfs/dbraw/zinc/52/69/49/1042526949.db2.gz HZEZUPMFCLKJPF-UHFFFAOYSA-N 2 2 344.462 4.248 20 0 EIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000492211332 1042579024 /nfs/dbraw/zinc/57/90/24/1042579024.db2.gz RWCCBWKOFVSHDM-UHFFFAOYSA-N 2 2 335.426 4.244 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000174224537 1042667199 /nfs/dbraw/zinc/66/71/99/1042667199.db2.gz RGPFYXSLFAQDOO-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000174224537 1042667206 /nfs/dbraw/zinc/66/72/06/1042667206.db2.gz RGPFYXSLFAQDOO-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000506662300 1042749956 /nfs/dbraw/zinc/74/99/56/1042749956.db2.gz RIMWEYLCNUNLMF-UHFFFAOYSA-N 2 2 330.447 4.310 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000506662300 1042749964 /nfs/dbraw/zinc/74/99/64/1042749964.db2.gz RIMWEYLCNUNLMF-UHFFFAOYSA-N 2 2 330.447 4.310 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccccc2)CC1 ZINC000506675189 1042765687 /nfs/dbraw/zinc/76/56/87/1042765687.db2.gz NCURTADTRUYNBD-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccccc2)CC1 ZINC000506675189 1042765693 /nfs/dbraw/zinc/76/56/93/1042765693.db2.gz NCURTADTRUYNBD-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168447486 1042816487 /nfs/dbraw/zinc/81/64/87/1042816487.db2.gz XGPVMLAEODSUDU-OAQYLSRUSA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168447486 1042816489 /nfs/dbraw/zinc/81/64/89/1042816489.db2.gz XGPVMLAEODSUDU-OAQYLSRUSA-N 2 2 335.426 4.001 20 0 EIADLP CC[NH+](CC)CC1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000536384824 1042820128 /nfs/dbraw/zinc/82/01/28/1042820128.db2.gz AESKDUNIFOIVQX-UHFFFAOYSA-N 2 2 332.536 4.282 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309769546 1042820990 /nfs/dbraw/zinc/82/09/90/1042820990.db2.gz AQUHNIAQAFYUSP-MRXNPFEDSA-N 2 2 332.850 4.091 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309769546 1042820991 /nfs/dbraw/zinc/82/09/91/1042820991.db2.gz AQUHNIAQAFYUSP-MRXNPFEDSA-N 2 2 332.850 4.091 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000493174277 1042838176 /nfs/dbraw/zinc/83/81/76/1042838176.db2.gz IIIDZNMZEMRPSF-OXJNMPFZSA-N 2 2 341.474 4.487 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000177896431 1042853663 /nfs/dbraw/zinc/85/36/63/1042853663.db2.gz ALLCGVXUNKWUSM-NRFANRHFSA-N 2 2 331.463 4.444 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Cl)s2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006730 1043005851 /nfs/dbraw/zinc/00/58/51/1043005851.db2.gz OOPZDUQOXPGUFB-MIFYACCESA-N 2 2 349.931 4.328 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Cl)s2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006730 1043005859 /nfs/dbraw/zinc/00/58/59/1043005859.db2.gz OOPZDUQOXPGUFB-MIFYACCESA-N 2 2 349.931 4.328 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743179 1043086796 /nfs/dbraw/zinc/08/67/96/1043086796.db2.gz JOYOKHJDBFDYMH-SFHVURJKSA-N 2 2 332.919 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743179 1043086811 /nfs/dbraw/zinc/08/68/11/1043086811.db2.gz JOYOKHJDBFDYMH-SFHVURJKSA-N 2 2 332.919 4.146 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000427844369 1043224064 /nfs/dbraw/zinc/22/40/64/1043224064.db2.gz CHIRQUGYECVTSL-NQIIRXRSSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000427844369 1043224076 /nfs/dbraw/zinc/22/40/76/1043224076.db2.gz CHIRQUGYECVTSL-NQIIRXRSSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856005 1043227968 /nfs/dbraw/zinc/22/79/68/1043227968.db2.gz UVMXUMOVTQMWGQ-MSOLQXFVSA-N 2 2 331.891 4.098 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876892 1043234726 /nfs/dbraw/zinc/23/47/26/1043234726.db2.gz NJRWUGCUDHSBNT-HOTGVXAUSA-N 2 2 337.389 4.348 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2F)s1 ZINC000427877058 1043235457 /nfs/dbraw/zinc/23/54/57/1043235457.db2.gz NMKOSEPUEHNPHZ-KBPBESRZSA-N 2 2 341.455 4.416 20 0 EIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000427865466 1043239272 /nfs/dbraw/zinc/23/92/72/1043239272.db2.gz HZPBJMLDIBAUDQ-NRFANRHFSA-N 2 2 335.495 4.451 20 0 EIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000427870001 1043240584 /nfs/dbraw/zinc/24/05/84/1043240584.db2.gz UDINMGDJZGTFHT-FCHUYYIVSA-N 2 2 345.490 4.388 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884806 1043249180 /nfs/dbraw/zinc/24/91/80/1043249180.db2.gz HGQPITDTQCEOKE-AZUAARDMSA-N 2 2 337.854 4.231 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427891975 1043252809 /nfs/dbraw/zinc/25/28/09/1043252809.db2.gz MFBJRFXQWQGDPU-VQIMIIECSA-N 2 2 347.462 4.224 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000186984289 1043320740 /nfs/dbraw/zinc/32/07/40/1043320740.db2.gz TVHVRCDAGWIZQN-ZDUSSCGKSA-N 2 2 335.854 4.228 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(C)s2)cc1F ZINC000665258926 1043369510 /nfs/dbraw/zinc/36/95/10/1043369510.db2.gz PGEFFFSNQRHTRT-QRTARXTBSA-N 2 2 348.487 4.001 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000428228522 1043378374 /nfs/dbraw/zinc/37/83/74/1043378374.db2.gz CKNSLCCCCNBDKW-WMZOPIPTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000428228522 1043378383 /nfs/dbraw/zinc/37/83/83/1043378383.db2.gz CKNSLCCCCNBDKW-WMZOPIPTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000428228522 1043378388 /nfs/dbraw/zinc/37/83/88/1043378388.db2.gz CKNSLCCCCNBDKW-WMZOPIPTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000428228522 1043378392 /nfs/dbraw/zinc/37/83/92/1043378392.db2.gz CKNSLCCCCNBDKW-WMZOPIPTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000428228519 1043378810 /nfs/dbraw/zinc/37/88/10/1043378810.db2.gz CKNSLCCCCNBDKW-AEFFLSMTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000428228519 1043378826 /nfs/dbraw/zinc/37/88/26/1043378826.db2.gz CKNSLCCCCNBDKW-AEFFLSMTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000428228519 1043378834 /nfs/dbraw/zinc/37/88/34/1043378834.db2.gz CKNSLCCCCNBDKW-AEFFLSMTSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000428228519 1043378840 /nfs/dbraw/zinc/37/88/40/1043378840.db2.gz CKNSLCCCCNBDKW-AEFFLSMTSA-N 2 2 333.520 4.193 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979801 1043410813 /nfs/dbraw/zinc/41/08/13/1043410813.db2.gz PLQUUCDCCXJPBE-IEBWSBKVSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979801 1043410827 /nfs/dbraw/zinc/41/08/27/1043410827.db2.gz PLQUUCDCCXJPBE-IEBWSBKVSA-N 2 2 346.540 4.417 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC23CCCC3)CCOCC1)c1ccccc1 ZINC000189130664 1043440212 /nfs/dbraw/zinc/44/02/12/1043440212.db2.gz BUDPSHFPDOHLCB-ICSRJNTNSA-N 2 2 342.527 4.199 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000189504233 1043581560 /nfs/dbraw/zinc/58/15/60/1043581560.db2.gz ZLDPRPQEWMXCLD-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@H+]1C ZINC000189504233 1043581587 /nfs/dbraw/zinc/58/15/87/1043581587.db2.gz ZLDPRPQEWMXCLD-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504233 1043581609 /nfs/dbraw/zinc/58/16/09/1043581609.db2.gz ZLDPRPQEWMXCLD-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504233 1043581626 /nfs/dbraw/zinc/58/16/26/1043581626.db2.gz ZLDPRPQEWMXCLD-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903366 1043659492 /nfs/dbraw/zinc/65/94/92/1043659492.db2.gz XZQVIOMGXCOADV-MRXNPFEDSA-N 2 2 343.471 4.035 20 0 EIADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442651996 1043799530 /nfs/dbraw/zinc/79/95/30/1043799530.db2.gz QWMRJLXAJWTLMT-ZBFHGGJFSA-N 2 2 328.422 4.271 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)ccc2O1 ZINC000731676968 1043815028 /nfs/dbraw/zinc/81/50/28/1043815028.db2.gz GISWEWOBFMGZRU-UHFFFAOYSA-N 2 2 347.462 4.266 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195931 1044019957 /nfs/dbraw/zinc/01/99/57/1044019957.db2.gz PSZPHERDNSLCQQ-ZFWWWQNUSA-N 2 2 325.378 4.025 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(C)(C)C ZINC000443193764 1044080925 /nfs/dbraw/zinc/08/09/25/1044080925.db2.gz NCWXCQVHMQWACG-QWFCFKBJSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(C)(C)C ZINC000443193764 1044080943 /nfs/dbraw/zinc/08/09/43/1044080943.db2.gz NCWXCQVHMQWACG-QWFCFKBJSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320141608 1044097071 /nfs/dbraw/zinc/09/70/71/1044097071.db2.gz IEYOCCUOSCKMDJ-HNNXBMFYSA-N 2 2 325.843 4.247 20 0 EIADLP Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544353197 1044219759 /nfs/dbraw/zinc/21/97/59/1044219759.db2.gz QXZBKFVEPUMGIG-INIZCTEOSA-N 2 2 325.481 4.305 20 0 EIADLP Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544353197 1044219768 /nfs/dbraw/zinc/21/97/68/1044219768.db2.gz QXZBKFVEPUMGIG-INIZCTEOSA-N 2 2 325.481 4.305 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657506821 1044284634 /nfs/dbraw/zinc/28/46/34/1044284634.db2.gz ULTODRKLSVJQQM-OALUTQOASA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657506821 1044284644 /nfs/dbraw/zinc/28/46/44/1044284644.db2.gz ULTODRKLSVJQQM-OALUTQOASA-N 2 2 341.524 4.225 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1ccccc1 ZINC000474066003 1044339798 /nfs/dbraw/zinc/33/97/98/1044339798.db2.gz NOERLUZRCQTANF-FYZZASKESA-N 2 2 344.543 4.301 20 0 EIADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000675474812 1044344407 /nfs/dbraw/zinc/34/44/07/1044344407.db2.gz ANKSKZYLQQRYMM-SFHVURJKSA-N 2 2 325.481 4.172 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000348069353 1044373468 /nfs/dbraw/zinc/37/34/68/1044373468.db2.gz HXXJUMZFJWDNMS-UHFFFAOYSA-N 2 2 338.282 4.337 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000348069353 1044373486 /nfs/dbraw/zinc/37/34/86/1044373486.db2.gz HXXJUMZFJWDNMS-UHFFFAOYSA-N 2 2 338.282 4.337 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1)CCC2 ZINC000348085158 1044389259 /nfs/dbraw/zinc/38/92/59/1044389259.db2.gz MISDYHRFXKOIAV-UKRRQHHQSA-N 2 2 348.288 4.182 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000282350078 1044524833 /nfs/dbraw/zinc/52/48/33/1044524833.db2.gz AOQVCJSXKXLODM-UHFFFAOYSA-N 2 2 341.286 4.060 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000282350078 1044524848 /nfs/dbraw/zinc/52/48/48/1044524848.db2.gz AOQVCJSXKXLODM-UHFFFAOYSA-N 2 2 341.286 4.060 20 0 EIADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675919249 1044560216 /nfs/dbraw/zinc/56/02/16/1044560216.db2.gz LPYHKKNHANNYJU-UTKZUKDTSA-N 2 2 349.478 4.453 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000675921538 1044562348 /nfs/dbraw/zinc/56/23/48/1044562348.db2.gz YHNKYNKDTZWQFT-RTWAWAEBSA-N 2 2 331.463 4.371 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000675921537 1044564722 /nfs/dbraw/zinc/56/47/22/1044564722.db2.gz YHNKYNKDTZWQFT-NHCUHLMSSA-N 2 2 331.463 4.371 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105215 1044849414 /nfs/dbraw/zinc/84/94/14/1044849414.db2.gz VTRBHASTIXXGRO-WBVHZDCISA-N 2 2 336.439 4.016 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105215 1044849415 /nfs/dbraw/zinc/84/94/15/1044849415.db2.gz VTRBHASTIXXGRO-WBVHZDCISA-N 2 2 336.439 4.016 20 0 EIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474342955 1044871535 /nfs/dbraw/zinc/87/15/35/1044871535.db2.gz BCBSTRSVGSWAOT-UHFFFAOYSA-N 2 2 339.870 4.437 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922875674 1045012910 /nfs/dbraw/zinc/01/29/10/1045012910.db2.gz OKMRLESYRQUALN-NHCUHLMSSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922875674 1045012926 /nfs/dbraw/zinc/01/29/26/1045012926.db2.gz OKMRLESYRQUALN-NHCUHLMSSA-N 2 2 347.506 4.246 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474467045 1045017485 /nfs/dbraw/zinc/01/74/85/1045017485.db2.gz AJMUHGVBZAYQFX-AEGPPILISA-N 2 2 349.931 4.259 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000673626672 1045047166 /nfs/dbraw/zinc/04/71/66/1045047166.db2.gz BQYLHFUBRFRVOB-IFXJQAMLSA-N 2 2 341.405 4.333 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777719 1045104661 /nfs/dbraw/zinc/10/46/61/1045104661.db2.gz JDQVHASJEZGXAN-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777719 1045104678 /nfs/dbraw/zinc/10/46/78/1045104678.db2.gz JDQVHASJEZGXAN-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777719 1045104690 /nfs/dbraw/zinc/10/46/90/1045104690.db2.gz JDQVHASJEZGXAN-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777719 1045104710 /nfs/dbraw/zinc/10/47/10/1045104710.db2.gz JDQVHASJEZGXAN-AVRDEDQJSA-N 2 2 337.511 4.129 20 0 EIADLP COC1(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000429428838 1045126422 /nfs/dbraw/zinc/12/64/22/1045126422.db2.gz JSTSQGIUZIRWFB-QUCCMNQESA-N 2 2 341.499 4.179 20 0 EIADLP CC[NH+](CC)Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000236939880 1045370788 /nfs/dbraw/zinc/37/07/88/1045370788.db2.gz OZZMAFAKOGAKPG-UHFFFAOYSA-N 2 2 338.499 4.004 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(Cl)cc1Cl ZINC000322394964 1045479429 /nfs/dbraw/zinc/47/94/29/1045479429.db2.gz RRAVUPWRBZEAQA-WAAKLRNESA-N 2 2 331.262 4.408 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(Cl)cc1Cl ZINC000322394964 1045479436 /nfs/dbraw/zinc/47/94/36/1045479436.db2.gz RRAVUPWRBZEAQA-WAAKLRNESA-N 2 2 331.262 4.408 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000790711239 1045565157 /nfs/dbraw/zinc/56/51/57/1045565157.db2.gz OSSOQXDNGXYRMZ-UHFFFAOYSA-N 2 2 349.522 4.389 20 0 EIADLP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247007631 1045837922 /nfs/dbraw/zinc/83/79/22/1045837922.db2.gz LZUAJHNFCHRGRT-WTOYTKOKSA-N 2 2 347.462 4.443 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000247064205 1045840054 /nfs/dbraw/zinc/84/00/54/1045840054.db2.gz NZNKSPNOCAWXPN-SIKLNZKXSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000247064205 1045840056 /nfs/dbraw/zinc/84/00/56/1045840056.db2.gz NZNKSPNOCAWXPN-SIKLNZKXSA-N 2 2 349.522 4.004 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000036996413 1045891048 /nfs/dbraw/zinc/89/10/48/1045891048.db2.gz JWYTZUKMTWZXSJ-YESZJQIVSA-N 2 2 337.305 4.117 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000036996413 1045891057 /nfs/dbraw/zinc/89/10/57/1045891057.db2.gz JWYTZUKMTWZXSJ-YESZJQIVSA-N 2 2 337.305 4.117 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000161593751 1046018634 /nfs/dbraw/zinc/01/86/34/1046018634.db2.gz GGSKSUSHTSLBMJ-AWEZNQCLSA-N 2 2 326.431 4.121 20 0 EIADLP CCc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)cs2)cc1 ZINC000124300289 1046230681 /nfs/dbraw/zinc/23/06/81/1046230681.db2.gz SLOMXQZBXHQIGM-UHFFFAOYSA-N 2 2 340.496 4.091 20 0 EIADLP CCc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)cs2)cc1 ZINC000124300289 1046230695 /nfs/dbraw/zinc/23/06/95/1046230695.db2.gz SLOMXQZBXHQIGM-UHFFFAOYSA-N 2 2 340.496 4.091 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000509688818 1046350455 /nfs/dbraw/zinc/35/04/55/1046350455.db2.gz OWBCVGXZJALRCN-INIZCTEOSA-N 2 2 326.406 4.156 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000509688818 1046350461 /nfs/dbraw/zinc/35/04/61/1046350461.db2.gz OWBCVGXZJALRCN-INIZCTEOSA-N 2 2 326.406 4.156 20 0 EIADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636735 1046723874 /nfs/dbraw/zinc/72/38/74/1046723874.db2.gz XTBZBTZYCLBUJQ-VQIMIIECSA-N 2 2 329.463 4.172 20 0 EIADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636735 1046723882 /nfs/dbraw/zinc/72/38/82/1046723882.db2.gz XTBZBTZYCLBUJQ-VQIMIIECSA-N 2 2 329.463 4.172 20 0 EIADLP C[N@@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459492902 1046734947 /nfs/dbraw/zinc/73/49/47/1046734947.db2.gz XKLVJDLFPHMUGO-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[N@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459492902 1046734962 /nfs/dbraw/zinc/73/49/62/1046734962.db2.gz XKLVJDLFPHMUGO-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459492902 1046734976 /nfs/dbraw/zinc/73/49/76/1046734976.db2.gz XKLVJDLFPHMUGO-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459492902 1046734989 /nfs/dbraw/zinc/73/49/89/1046734989.db2.gz XKLVJDLFPHMUGO-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643280 1046737867 /nfs/dbraw/zinc/73/78/67/1046737867.db2.gz FTIFXURXPROHPN-POAQFYNOSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643280 1046737881 /nfs/dbraw/zinc/73/78/81/1046737881.db2.gz FTIFXURXPROHPN-POAQFYNOSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379652912 1046745837 /nfs/dbraw/zinc/74/58/37/1046745837.db2.gz YJEBSOYWXWRQHP-NQIIRXRSSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379652912 1046745851 /nfs/dbraw/zinc/74/58/51/1046745851.db2.gz YJEBSOYWXWRQHP-NQIIRXRSSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nc2c(s1)CCC2 ZINC000459647043 1046833300 /nfs/dbraw/zinc/83/33/00/1046833300.db2.gz JRVUVNVCSYKTFH-HLLBOEOZSA-N 2 2 347.572 4.326 20 0 EIADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000459653429 1046839508 /nfs/dbraw/zinc/83/95/08/1046839508.db2.gz BYGXJGJUUAJKTR-KRWDZBQOSA-N 2 2 335.451 4.349 20 0 EIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000459662868 1046845062 /nfs/dbraw/zinc/84/50/62/1046845062.db2.gz BYGXJGJUUAJKTR-QGZVFWFLSA-N 2 2 335.451 4.349 20 0 EIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CCS2 ZINC000786576860 1046852096 /nfs/dbraw/zinc/85/20/96/1046852096.db2.gz CNRJIDPKJAJRKL-SJLPKXTDSA-N 2 2 345.512 4.133 20 0 EIADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CCS2 ZINC000786576862 1046852255 /nfs/dbraw/zinc/85/22/55/1046852255.db2.gz CNRJIDPKJAJRKL-WMZOPIPTSA-N 2 2 345.512 4.133 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC001170060984 1046854725 /nfs/dbraw/zinc/85/47/25/1046854725.db2.gz FQBOEBDUQXPALP-GOSISDBHSA-N 2 2 332.532 4.464 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000537000137 1046891838 /nfs/dbraw/zinc/89/18/38/1046891838.db2.gz PVDGJCHVTNZPAK-FQEVSTJZSA-N 2 2 327.472 4.269 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CCC2 ZINC000537013257 1046895010 /nfs/dbraw/zinc/89/50/10/1046895010.db2.gz XBKBFDRFQBDJJN-FUHWJXTLSA-N 2 2 329.875 4.463 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254957 1046959077 /nfs/dbraw/zinc/95/90/77/1046959077.db2.gz OKRBWPWBHXOVQK-DGCLKSJQSA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254957 1046959117 /nfs/dbraw/zinc/95/91/17/1046959117.db2.gz OKRBWPWBHXOVQK-DGCLKSJQSA-N 2 2 349.828 4.058 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254957 1046959097 /nfs/dbraw/zinc/95/90/97/1046959097.db2.gz OKRBWPWBHXOVQK-DGCLKSJQSA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254957 1046959130 /nfs/dbraw/zinc/95/91/30/1046959130.db2.gz OKRBWPWBHXOVQK-DGCLKSJQSA-N 2 2 349.828 4.058 20 0 EIADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170079911 1047071675 /nfs/dbraw/zinc/07/16/75/1047071675.db2.gz GKHURAPKWXYVMP-NRSPTQNISA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170079911 1047071708 /nfs/dbraw/zinc/07/17/08/1047071708.db2.gz GKHURAPKWXYVMP-NRSPTQNISA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170079911 1047071723 /nfs/dbraw/zinc/07/17/23/1047071723.db2.gz GKHURAPKWXYVMP-NRSPTQNISA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170079911 1047071692 /nfs/dbraw/zinc/07/16/92/1047071692.db2.gz GKHURAPKWXYVMP-NRSPTQNISA-N 2 2 329.532 4.050 20 0 EIADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C)cc1 ZINC000537455976 1047246028 /nfs/dbraw/zinc/24/60/28/1047246028.db2.gz OFJXZNKTJGVSJK-VQTJNVASSA-N 2 2 338.499 4.094 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170098792 1047376828 /nfs/dbraw/zinc/37/68/28/1047376828.db2.gz XEFCSEDCIBETIM-KSSFIOAISA-N 2 2 340.433 4.448 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556078686 1047436036 /nfs/dbraw/zinc/43/60/36/1047436036.db2.gz YUFMXKBDVXWWHO-RBUKOAKNSA-N 2 2 344.499 4.473 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556078686 1047436041 /nfs/dbraw/zinc/43/60/41/1047436041.db2.gz YUFMXKBDVXWWHO-RBUKOAKNSA-N 2 2 344.499 4.473 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556215436 1047567387 /nfs/dbraw/zinc/56/73/87/1047567387.db2.gz ZVMGHTBFAQSIIJ-SXSPYAJSSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556215436 1047567397 /nfs/dbraw/zinc/56/73/97/1047567397.db2.gz ZVMGHTBFAQSIIJ-SXSPYAJSSA-N 2 2 349.522 4.075 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2nc3ccccc3s2)C2CCCC2)CC1 ZINC001136957577 1047990100 /nfs/dbraw/zinc/99/01/00/1047990100.db2.gz IXOVZUDXARHPAI-UHFFFAOYSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2nc3ccccc3s2)C2CCCC2)CC1 ZINC001136957577 1047990119 /nfs/dbraw/zinc/99/01/19/1047990119.db2.gz IXOVZUDXARHPAI-UHFFFAOYSA-N 2 2 329.513 4.135 20 0 EIADLP FC(F)(F)c1cccc(C2([NH2+]CCn3cc[nH+]c3)CCCCC2)c1 ZINC000499054997 1048132309 /nfs/dbraw/zinc/13/23/09/1048132309.db2.gz MNKGNNWWBZNKJA-UHFFFAOYSA-N 2 2 337.389 4.351 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170765052 1048166544 /nfs/dbraw/zinc/16/65/44/1048166544.db2.gz AFPPIFXDDMOICD-ACDBMABISA-N 2 2 330.491 4.157 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170765052 1048166552 /nfs/dbraw/zinc/16/65/52/1048166552.db2.gz AFPPIFXDDMOICD-ACDBMABISA-N 2 2 330.491 4.157 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](Cc2ccccc2)C2CC2)[nH+]1 ZINC000132129677 1048208659 /nfs/dbraw/zinc/20/86/59/1048208659.db2.gz YRBNBCCOHHEMMG-JOCHJYFZSA-N 2 2 345.490 4.085 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925916 1048242363 /nfs/dbraw/zinc/24/23/63/1048242363.db2.gz MNFCJJGYOAYIRM-KRWDZBQOSA-N 2 2 347.572 4.355 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925916 1048242390 /nfs/dbraw/zinc/24/23/90/1048242390.db2.gz MNFCJJGYOAYIRM-KRWDZBQOSA-N 2 2 347.572 4.355 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925916 1048242415 /nfs/dbraw/zinc/24/24/15/1048242415.db2.gz MNFCJJGYOAYIRM-KRWDZBQOSA-N 2 2 347.572 4.355 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925916 1048242438 /nfs/dbraw/zinc/24/24/38/1048242438.db2.gz MNFCJJGYOAYIRM-KRWDZBQOSA-N 2 2 347.572 4.355 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559699 1048401977 /nfs/dbraw/zinc/40/19/77/1048401977.db2.gz YLNVTAGXGWEFAV-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559699 1048401985 /nfs/dbraw/zinc/40/19/85/1048401985.db2.gz YLNVTAGXGWEFAV-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559699 1048401995 /nfs/dbraw/zinc/40/19/95/1048401995.db2.gz YLNVTAGXGWEFAV-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559699 1048402004 /nfs/dbraw/zinc/40/20/04/1048402004.db2.gz YLNVTAGXGWEFAV-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP CCc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144149610 1048460301 /nfs/dbraw/zinc/46/03/01/1048460301.db2.gz JSEKWHWHCVEADX-UHFFFAOYSA-N 2 2 344.543 4.356 20 0 EIADLP CCc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144149610 1048460314 /nfs/dbraw/zinc/46/03/14/1048460314.db2.gz JSEKWHWHCVEADX-UHFFFAOYSA-N 2 2 344.543 4.356 20 0 EIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000815597665 1048532086 /nfs/dbraw/zinc/53/20/86/1048532086.db2.gz BHRXEEHYAHOFAK-IRXDYDNUSA-N 2 2 341.474 4.405 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001170592711 1048588858 /nfs/dbraw/zinc/58/88/58/1048588858.db2.gz LYJBBXJFHMWAIR-NJYVYQBISA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170592712 1048589608 /nfs/dbraw/zinc/58/96/08/1048589608.db2.gz LYJBBXJFHMWAIR-QHAWAJNXSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170592712 1048589625 /nfs/dbraw/zinc/58/96/25/1048589625.db2.gz LYJBBXJFHMWAIR-QHAWAJNXSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170592712 1048589641 /nfs/dbraw/zinc/58/96/41/1048589641.db2.gz LYJBBXJFHMWAIR-QHAWAJNXSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170592712 1048589655 /nfs/dbraw/zinc/58/96/55/1048589655.db2.gz LYJBBXJFHMWAIR-QHAWAJNXSA-N 2 2 329.532 4.194 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001171175435 1048645642 /nfs/dbraw/zinc/64/56/42/1048645642.db2.gz KXOZOLHELITYSF-MRXNPFEDSA-N 2 2 339.310 4.021 20 0 EIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(Br)c1 ZINC001144690935 1048791720 /nfs/dbraw/zinc/79/17/20/1048791720.db2.gz ZMNXQUNPHNCPNX-UHFFFAOYSA-N 2 2 345.712 4.020 20 0 EIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(Br)c1 ZINC001144690935 1048791741 /nfs/dbraw/zinc/79/17/41/1048791741.db2.gz ZMNXQUNPHNCPNX-UHFFFAOYSA-N 2 2 345.712 4.020 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cccc(Cl)c3C2)cc1 ZINC001170914196 1049217045 /nfs/dbraw/zinc/21/70/45/1049217045.db2.gz HRXPAWWJSSIYIG-QGZVFWFLSA-N 2 2 337.854 4.392 20 0 EIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000773091368 1049576679 /nfs/dbraw/zinc/57/66/79/1049576679.db2.gz WNUUDVOHCYEGEB-VGSWGCGISA-N 2 2 335.495 4.193 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000037156301 1049664102 /nfs/dbraw/zinc/66/41/02/1049664102.db2.gz UDOMTLZQHDNJQG-HNNXBMFYSA-N 2 2 326.271 4.394 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171575355 1049760840 /nfs/dbraw/zinc/76/08/40/1049760840.db2.gz VHQPLYIEFPDVGI-NRFANRHFSA-N 2 2 331.463 4.170 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171575355 1049760847 /nfs/dbraw/zinc/76/08/47/1049760847.db2.gz VHQPLYIEFPDVGI-NRFANRHFSA-N 2 2 331.463 4.170 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1(C)C ZINC001171630060 1049761580 /nfs/dbraw/zinc/76/15/80/1049761580.db2.gz GZGGGWNGNCOIJY-INIZCTEOSA-N 2 2 335.923 4.427 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cnc(Cl)cc2Cl)CC1(C)C ZINC001171623086 1049768188 /nfs/dbraw/zinc/76/81/88/1049768188.db2.gz JYTAOUBIVLRSBH-UHFFFAOYSA-N 2 2 330.303 4.129 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001171963671 1049825240 /nfs/dbraw/zinc/82/52/40/1049825240.db2.gz JSJFWNGSODFEMQ-IFXJQAMLSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001171963671 1049825241 /nfs/dbraw/zinc/82/52/41/1049825241.db2.gz JSJFWNGSODFEMQ-IFXJQAMLSA-N 2 2 348.412 4.022 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692658 1049830536 /nfs/dbraw/zinc/83/05/36/1049830536.db2.gz QLLIYAYUFKRJRM-KSSFIOAISA-N 2 2 332.538 4.241 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692658 1049830541 /nfs/dbraw/zinc/83/05/41/1049830541.db2.gz QLLIYAYUFKRJRM-KSSFIOAISA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692658 1049830547 /nfs/dbraw/zinc/83/05/47/1049830547.db2.gz QLLIYAYUFKRJRM-KSSFIOAISA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692658 1049830549 /nfs/dbraw/zinc/83/05/49/1049830549.db2.gz QLLIYAYUFKRJRM-KSSFIOAISA-N 2 2 332.538 4.241 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245721891 1049838269 /nfs/dbraw/zinc/83/82/69/1049838269.db2.gz OXINAHXRRJUCTJ-ACDBMABISA-N 2 2 342.433 4.250 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245721891 1049838273 /nfs/dbraw/zinc/83/82/73/1049838273.db2.gz OXINAHXRRJUCTJ-ACDBMABISA-N 2 2 342.433 4.250 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4ccncc4C2)C3)cc1 ZINC001172074732 1049844702 /nfs/dbraw/zinc/84/47/02/1049844702.db2.gz LOSVZJAKKSTMDU-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4ccncc4C2)C3)cc1 ZINC001172074732 1049844704 /nfs/dbraw/zinc/84/47/04/1049844704.db2.gz LOSVZJAKKSTMDU-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCc4ccncc4C2)C3)cc1 ZINC001172074732 1049844705 /nfs/dbraw/zinc/84/47/05/1049844705.db2.gz LOSVZJAKKSTMDU-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCc4ccncc4C2)C3)cc1 ZINC001172074732 1049844707 /nfs/dbraw/zinc/84/47/07/1049844707.db2.gz LOSVZJAKKSTMDU-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP Clc1cccc2c1CC[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171037538 1049888850 /nfs/dbraw/zinc/88/88/50/1049888850.db2.gz MYTWKZFQRXUUIS-MRXNPFEDSA-N 2 2 342.870 4.136 20 0 EIADLP CC(C)OCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172435160 1049899260 /nfs/dbraw/zinc/89/92/60/1049899260.db2.gz YNEMAHXLGFRMEG-DUXKGJEZSA-N 2 2 326.484 4.221 20 0 EIADLP CC(C)OCC[C@@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001172453186 1049914112 /nfs/dbraw/zinc/91/41/12/1049914112.db2.gz FHYZQFRPFQKOKQ-SGCGGLILSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001172453186 1049914115 /nfs/dbraw/zinc/91/41/15/1049914115.db2.gz FHYZQFRPFQKOKQ-SGCGGLILSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172453186 1049914118 /nfs/dbraw/zinc/91/41/18/1049914118.db2.gz FHYZQFRPFQKOKQ-SGCGGLILSA-N 2 2 346.559 4.085 20 0 EIADLP CC(C)OCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172453186 1049914122 /nfs/dbraw/zinc/91/41/22/1049914122.db2.gz FHYZQFRPFQKOKQ-SGCGGLILSA-N 2 2 346.559 4.085 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566243 1049935516 /nfs/dbraw/zinc/93/55/16/1049935516.db2.gz UVHAFHWYQIFJMM-OCCSQVGLSA-N 2 2 330.850 4.013 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566243 1049935522 /nfs/dbraw/zinc/93/55/22/1049935522.db2.gz UVHAFHWYQIFJMM-OCCSQVGLSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172567070 1049937011 /nfs/dbraw/zinc/93/70/11/1049937011.db2.gz CEGBHKAEBOFYJI-GXTWGEPZSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172567070 1049937014 /nfs/dbraw/zinc/93/70/14/1049937014.db2.gz CEGBHKAEBOFYJI-GXTWGEPZSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172577104 1049951190 /nfs/dbraw/zinc/95/11/90/1049951190.db2.gz QZEACEFKNJXBIL-QWHCGFSZSA-N 2 2 330.850 4.013 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000246547235 1049985309 /nfs/dbraw/zinc/98/53/09/1049985309.db2.gz WHFRBBYBBHCZOH-BMQTXXJKSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000247998200 1050039159 /nfs/dbraw/zinc/03/91/59/1050039159.db2.gz KBVPDLVLSDTUQP-PLMTUMEDSA-N 2 2 326.459 4.182 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC[N@H+]1C ZINC000247998200 1050039166 /nfs/dbraw/zinc/03/91/66/1050039166.db2.gz KBVPDLVLSDTUQP-PLMTUMEDSA-N 2 2 326.459 4.182 20 0 EIADLP c1ccc(N2CCCCC2)c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001203149876 1050172841 /nfs/dbraw/zinc/17/28/41/1050172841.db2.gz VNRAYMRSIFXIEU-NRFANRHFSA-N 2 2 341.543 4.174 20 0 EIADLP c1ccc(N2CCCCC2)c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001203149876 1050172845 /nfs/dbraw/zinc/17/28/45/1050172845.db2.gz VNRAYMRSIFXIEU-NRFANRHFSA-N 2 2 341.543 4.174 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172841476 1050179300 /nfs/dbraw/zinc/17/93/00/1050179300.db2.gz KVJRPUAPGZRLDO-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090667656 1050198435 /nfs/dbraw/zinc/19/84/35/1050198435.db2.gz QJEMZEBEATYHBU-CDYZOSCDSA-N 2 2 339.527 4.021 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172874011 1050215085 /nfs/dbraw/zinc/21/50/85/1050215085.db2.gz ZLEDFLZFNYDTIX-OAHLLOKOSA-N 2 2 338.898 4.360 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC001177429225 1050217860 /nfs/dbraw/zinc/21/78/60/1050217860.db2.gz SVQZKZCYAVNQJQ-IRVMHKCDSA-N 2 2 338.442 4.155 20 0 EIADLP COc1ccccc1C(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177565766 1050252785 /nfs/dbraw/zinc/25/27/85/1050252785.db2.gz HLWBKNADIFVHLU-UHFFFAOYSA-N 2 2 341.480 4.010 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091372552 1050258339 /nfs/dbraw/zinc/25/83/39/1050258339.db2.gz XDLKFUPNKQQZII-ZDUSSCGKSA-N 2 2 348.922 4.140 20 0 EIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001177844423 1050314033 /nfs/dbraw/zinc/31/40/33/1050314033.db2.gz PSCACYZOWJCXPH-RTBURBONSA-N 2 2 336.589 4.320 20 0 EIADLP CCc1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173248925 1050375566 /nfs/dbraw/zinc/37/55/66/1050375566.db2.gz JHGJFFNQRNQAGS-YYWHXJBOSA-N 2 2 337.511 4.352 20 0 EIADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001178276197 1050425675 /nfs/dbraw/zinc/42/56/75/1050425675.db2.gz FMIIBHKLMXQZDH-QFIPXVFZSA-N 2 2 349.478 4.430 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093693323 1050662701 /nfs/dbraw/zinc/66/27/01/1050662701.db2.gz MDFPGOUTGZVAPQ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093693323 1050662713 /nfs/dbraw/zinc/66/27/13/1050662713.db2.gz MDFPGOUTGZVAPQ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CC(C)COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152784840 1050852044 /nfs/dbraw/zinc/85/20/44/1050852044.db2.gz FCFJMSMPQOUBQW-QGZVFWFLSA-N 2 2 341.499 4.148 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000152820766 1050861436 /nfs/dbraw/zinc/86/14/36/1050861436.db2.gz VJUUUAIXGQLHDT-GFCCVEGCSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1Cl ZINC000152826175 1050864125 /nfs/dbraw/zinc/86/41/25/1050864125.db2.gz GEEFUPPXKIGGRU-GFCCVEGCSA-N 2 2 338.282 4.420 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000572563913 1050905891 /nfs/dbraw/zinc/90/58/91/1050905891.db2.gz REIMWMMKUOMKIA-QINSGFPZSA-N 2 2 337.389 4.327 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000572563913 1050905896 /nfs/dbraw/zinc/90/58/96/1050905896.db2.gz REIMWMMKUOMKIA-QINSGFPZSA-N 2 2 337.389 4.327 20 0 EIADLP CC(C)n1c[nH+]c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001174381530 1050943411 /nfs/dbraw/zinc/94/34/11/1050943411.db2.gz MROUYYKQWPEMGL-UHFFFAOYSA-N 2 2 349.482 4.113 20 0 EIADLP CC(C)n1c[nH+]c2cc(Nc3ccccc3N3CC[NH+](C)CC3)ccc21 ZINC001174381168 1050944390 /nfs/dbraw/zinc/94/43/90/1050944390.db2.gz ITQYREARLJQDNT-UHFFFAOYSA-N 2 2 349.482 4.113 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181244102 1051182850 /nfs/dbraw/zinc/18/28/50/1051182850.db2.gz MRBWZECKULEPLX-OAHLLOKOSA-N 2 2 342.449 4.348 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181244102 1051182857 /nfs/dbraw/zinc/18/28/57/1051182857.db2.gz MRBWZECKULEPLX-OAHLLOKOSA-N 2 2 342.449 4.348 20 0 EIADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181243911 1051183101 /nfs/dbraw/zinc/18/31/01/1051183101.db2.gz LKSDUQXKTLGGSQ-GOSISDBHSA-N 2 2 328.544 4.208 20 0 EIADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181243911 1051183110 /nfs/dbraw/zinc/18/31/10/1051183110.db2.gz LKSDUQXKTLGGSQ-GOSISDBHSA-N 2 2 328.544 4.208 20 0 EIADLP Cc1ccc2c(Nc3ccc(N4CC[NH+](C)CC4)cc3)cccc2[nH+]1 ZINC001174813954 1051202741 /nfs/dbraw/zinc/20/27/41/1051202741.db2.gz MMDKCDUKSLSWIF-UHFFFAOYSA-N 2 2 332.451 4.039 20 0 EIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccs1 ZINC000153916909 1051245587 /nfs/dbraw/zinc/24/55/87/1051245587.db2.gz KVYWEWSIDCLBLB-IRXDYDNUSA-N 2 2 344.524 4.299 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccs2)CCOCC1)c1ccccc1 ZINC000153917020 1051246947 /nfs/dbraw/zinc/24/69/47/1051246947.db2.gz KVYWEWSIDCLBLB-SJORKVTESA-N 2 2 344.524 4.299 20 0 EIADLP CCCC[N@H+](Cc1nc2ccccc2[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983355 1051304428 /nfs/dbraw/zinc/30/44/28/1051304428.db2.gz HWGRRCKKYVSBKC-UHFFFAOYSA-N 2 2 342.531 4.474 20 0 EIADLP CCCC[N@@H+](Cc1nc2ccccc2[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983355 1051304442 /nfs/dbraw/zinc/30/44/42/1051304442.db2.gz HWGRRCKKYVSBKC-UHFFFAOYSA-N 2 2 342.531 4.474 20 0 EIADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000620847475 1051361302 /nfs/dbraw/zinc/36/13/02/1051361302.db2.gz FGQPJHVDNPWXDP-UHFFFAOYSA-N 2 2 327.255 4.295 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272358645 1051568177 /nfs/dbraw/zinc/56/81/77/1051568177.db2.gz RUECWBYGTPSZIQ-VKJFTORMSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272358645 1051568193 /nfs/dbraw/zinc/56/81/93/1051568193.db2.gz RUECWBYGTPSZIQ-VKJFTORMSA-N 2 2 329.513 4.013 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C[N@@H+]1Cc1ccccc1 ZINC001183024799 1051770687 /nfs/dbraw/zinc/77/06/87/1051770687.db2.gz OZIRJVLHUIVMRZ-DJIMGWMZSA-N 2 2 341.326 4.213 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C[N@H+]1Cc1ccccc1 ZINC001183024799 1051770698 /nfs/dbraw/zinc/77/06/98/1051770698.db2.gz OZIRJVLHUIVMRZ-DJIMGWMZSA-N 2 2 341.326 4.213 20 0 EIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065146 1051780762 /nfs/dbraw/zinc/78/07/62/1051780762.db2.gz HEVHBOSZTXDXDN-RDTXWAMCSA-N 2 2 347.453 4.065 20 0 EIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065146 1051780775 /nfs/dbraw/zinc/78/07/75/1051780775.db2.gz HEVHBOSZTXDXDN-RDTXWAMCSA-N 2 2 347.453 4.065 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001206554828 1051781501 /nfs/dbraw/zinc/78/15/01/1051781501.db2.gz GKSZFIUOVMWJNI-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001206554828 1051781511 /nfs/dbraw/zinc/78/15/11/1051781511.db2.gz GKSZFIUOVMWJNI-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065144 1051782284 /nfs/dbraw/zinc/78/22/84/1051782284.db2.gz HEVHBOSZTXDXDN-KDOFPFPSSA-N 2 2 347.453 4.065 20 0 EIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065144 1051782292 /nfs/dbraw/zinc/78/22/92/1051782292.db2.gz HEVHBOSZTXDXDN-KDOFPFPSSA-N 2 2 347.453 4.065 20 0 EIADLP CCCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000621328011 1051829333 /nfs/dbraw/zinc/82/93/33/1051829333.db2.gz BYEZIFLTFRJSEK-UHFFFAOYSA-N 2 2 325.481 4.235 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC001183498129 1051855370 /nfs/dbraw/zinc/85/53/70/1051855370.db2.gz CQJKSHXUNWEBQV-LULLPPNCSA-N 2 2 337.492 4.468 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(Cl)cc2c1OCC2 ZINC001183981957 1051937970 /nfs/dbraw/zinc/93/79/70/1051937970.db2.gz UYEYXTZEUWXLMO-CYBMUJFWSA-N 2 2 336.907 4.188 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(Cl)cc2c1OCC2 ZINC001183981959 1051938421 /nfs/dbraw/zinc/93/84/21/1051938421.db2.gz UYEYXTZEUWXLMO-ZDUSSCGKSA-N 2 2 336.907 4.188 20 0 EIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)c1 ZINC001184376083 1052001372 /nfs/dbraw/zinc/00/13/72/1052001372.db2.gz ZRUFDMLUZDXNPL-SFHVURJKSA-N 2 2 341.499 4.335 20 0 EIADLP COc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)c1 ZINC001184376083 1052001382 /nfs/dbraw/zinc/00/13/82/1052001382.db2.gz ZRUFDMLUZDXNPL-SFHVURJKSA-N 2 2 341.499 4.335 20 0 EIADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296146 1052004465 /nfs/dbraw/zinc/00/44/65/1052004465.db2.gz IAUIBAXPOWCYJS-HNNXBMFYSA-N 2 2 345.712 4.114 20 0 EIADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296146 1052004468 /nfs/dbraw/zinc/00/44/68/1052004468.db2.gz IAUIBAXPOWCYJS-HNNXBMFYSA-N 2 2 345.712 4.114 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000164476960 1052031576 /nfs/dbraw/zinc/03/15/76/1052031576.db2.gz WNRNRHCHQOVEAL-QGZVFWFLSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1ccc2c(Nc3ccc(OCCC[NH+](C)C)nc3)cccc2[nH+]1 ZINC001176360700 1052038418 /nfs/dbraw/zinc/03/84/18/1052038418.db2.gz XQIPPBUXVQLUAG-UHFFFAOYSA-N 2 2 336.439 4.012 20 0 EIADLP c1cc(C2CCCC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194278966 1052112799 /nfs/dbraw/zinc/11/27/99/1052112799.db2.gz DZENYVOOEQGXJG-QFIPXVFZSA-N 2 2 342.527 4.031 20 0 EIADLP c1cc(C2CCCC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194278966 1052112809 /nfs/dbraw/zinc/11/28/09/1052112809.db2.gz DZENYVOOEQGXJG-QFIPXVFZSA-N 2 2 342.527 4.031 20 0 EIADLP c1ccc(Oc2c[nH+]ccc2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176744199 1052178860 /nfs/dbraw/zinc/17/88/60/1052178860.db2.gz QPWGPBXRUVBSEC-UHFFFAOYSA-N 2 2 332.407 4.035 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000172036402 1052473104 /nfs/dbraw/zinc/47/31/04/1052473104.db2.gz DGWXFKHZNNEVSZ-UHFFFAOYSA-N 2 2 346.421 4.189 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342028 1052625627 /nfs/dbraw/zinc/62/56/27/1052625627.db2.gz BHEAZOVKVWBUBN-WMZOPIPTSA-N 2 2 332.488 4.439 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342028 1052625630 /nfs/dbraw/zinc/62/56/30/1052625630.db2.gz BHEAZOVKVWBUBN-WMZOPIPTSA-N 2 2 332.488 4.439 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000179301416 1052729404 /nfs/dbraw/zinc/72/94/04/1052729404.db2.gz GOQVRIGBIBIAOW-KSSFIOAISA-N 2 2 340.496 4.130 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000179301416 1052729408 /nfs/dbraw/zinc/72/94/08/1052729408.db2.gz GOQVRIGBIBIAOW-KSSFIOAISA-N 2 2 340.496 4.130 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCCC2)CC1 ZINC000623787886 1052804467 /nfs/dbraw/zinc/80/44/67/1052804467.db2.gz FYPUCIFSDDESDP-UHFFFAOYSA-N 2 2 346.359 4.116 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623861278 1052824194 /nfs/dbraw/zinc/82/41/94/1052824194.db2.gz UALUQUHVXWVDQR-SJKOYZFVSA-N 2 2 328.847 4.074 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623869755 1052829966 /nfs/dbraw/zinc/82/99/66/1052829966.db2.gz INSXDKABAYFSJR-LBPRGKRZSA-N 2 2 329.341 4.172 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123479 1052868177 /nfs/dbraw/zinc/86/81/77/1052868177.db2.gz MSCJQNQOHGNYNV-LSDHHAIUSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123479 1052868181 /nfs/dbraw/zinc/86/81/81/1052868181.db2.gz MSCJQNQOHGNYNV-LSDHHAIUSA-N 2 2 347.503 4.332 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182124441 1052915608 /nfs/dbraw/zinc/91/56/08/1052915608.db2.gz FZUZKNIXSAANCA-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000325119166 1052953549 /nfs/dbraw/zinc/95/35/49/1052953549.db2.gz RQUBOFFNCBABPL-VQIMIIECSA-N 2 2 329.488 4.437 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1C ZINC000764432039 1053099713 /nfs/dbraw/zinc/09/97/13/1053099713.db2.gz JCIXQPOPCOSEPA-CBGDNZLLSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000775622500 1053209886 /nfs/dbraw/zinc/20/98/86/1053209886.db2.gz DJBUOYLLETXYQL-MRXNPFEDSA-N 2 2 330.435 4.264 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000764743378 1053285683 /nfs/dbraw/zinc/28/56/83/1053285683.db2.gz NETMVYNTNRTSNO-QHCPKHFHSA-N 2 2 349.522 4.462 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(SC(F)F)cc1 ZINC000765261664 1053481858 /nfs/dbraw/zinc/48/18/58/1053481858.db2.gz UTEQNMZCUBBBCS-ZDUSSCGKSA-N 2 2 325.428 4.329 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450295 1053551645 /nfs/dbraw/zinc/55/16/45/1053551645.db2.gz QBVKRBVEQHQJQO-AEFFLSMTSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450295 1053551657 /nfs/dbraw/zinc/55/16/57/1053551657.db2.gz QBVKRBVEQHQJQO-AEFFLSMTSA-N 2 2 343.902 4.298 20 0 EIADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OC ZINC000865824983 1053601968 /nfs/dbraw/zinc/60/19/68/1053601968.db2.gz UKGCSOZQOJPNMC-KRWDZBQOSA-N 2 2 327.453 4.183 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2c(ccnc2Cl)o1 ZINC000866256302 1053667504 /nfs/dbraw/zinc/66/75/04/1053667504.db2.gz IXXBCJWOMCXMGR-ZDUSSCGKSA-N 2 2 344.846 4.419 20 0 EIADLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCN1c1cc[nH+]cc1 ZINC001197376670 1053897847 /nfs/dbraw/zinc/89/78/47/1053897847.db2.gz GFADCJJLUWSXSX-CYBMUJFWSA-N 2 2 336.266 4.099 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CCN1c1cc[nH+]cc1 ZINC001197376670 1053897851 /nfs/dbraw/zinc/89/78/51/1053897851.db2.gz GFADCJJLUWSXSX-CYBMUJFWSA-N 2 2 336.266 4.099 20 0 EIADLP COc1cc2c(NCc3ccc(-n4cc[nH+]c4)cc3)cc[nH+]c2cc1F ZINC000795080991 1054003969 /nfs/dbraw/zinc/00/39/69/1054003969.db2.gz OBAOWUQOMOUMGM-UHFFFAOYSA-N 2 2 348.381 4.180 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(Cl)c1 ZINC000173335083 1054057455 /nfs/dbraw/zinc/05/74/55/1054057455.db2.gz JDGRRPLTRREXFX-GOSISDBHSA-N 2 2 340.858 4.470 20 0 EIADLP Fc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C(F)(F)F ZINC000160866140 1054235611 /nfs/dbraw/zinc/23/56/11/1054235611.db2.gz ISKVQDNDENCXDX-UHFFFAOYSA-N 2 2 349.331 4.320 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001198791706 1054266255 /nfs/dbraw/zinc/26/62/55/1054266255.db2.gz YEPJETMVXHJGCA-KRWDZBQOSA-N 2 2 326.488 4.030 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001198791706 1054266271 /nfs/dbraw/zinc/26/62/71/1054266271.db2.gz YEPJETMVXHJGCA-KRWDZBQOSA-N 2 2 326.488 4.030 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001198908291 1054308893 /nfs/dbraw/zinc/30/88/93/1054308893.db2.gz OCEQMZDJACVUPT-GOSISDBHSA-N 2 2 326.509 4.412 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001198908291 1054308915 /nfs/dbraw/zinc/30/89/15/1054308915.db2.gz OCEQMZDJACVUPT-GOSISDBHSA-N 2 2 326.509 4.412 20 0 EIADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000872040340 1054353441 /nfs/dbraw/zinc/35/34/41/1054353441.db2.gz XXYAVYATHSSYTN-HZPDHXFCSA-N 2 2 339.405 4.415 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@H]1CCCOC1 ZINC000872050633 1054362179 /nfs/dbraw/zinc/36/21/79/1054362179.db2.gz AKVCHRDWGKBPPI-SESVDKBCSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001199207828 1054363621 /nfs/dbraw/zinc/36/36/21/1054363621.db2.gz BLUSYVXWNPUHOT-ZXYDQQDNSA-N 2 2 347.462 4.154 20 0 EIADLP CC1(C)CCC[C@H](C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001199219307 1054366569 /nfs/dbraw/zinc/36/65/69/1054366569.db2.gz LPCTVWIEKDWZDS-FQEVSTJZSA-N 2 2 343.559 4.005 20 0 EIADLP CCC1(CC)CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001199391745 1054397408 /nfs/dbraw/zinc/39/74/08/1054397408.db2.gz LKQXKMUTXFQEER-UHFFFAOYSA-N 2 2 344.543 4.357 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201975477 1054951903 /nfs/dbraw/zinc/95/19/03/1054951903.db2.gz ICYFXBLCXRYGMN-KRWDZBQOSA-N 2 2 342.487 4.050 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201975477 1054951912 /nfs/dbraw/zinc/95/19/12/1054951912.db2.gz ICYFXBLCXRYGMN-KRWDZBQOSA-N 2 2 342.487 4.050 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974685 1054953405 /nfs/dbraw/zinc/95/34/05/1054953405.db2.gz ZFPYLCQZMIBVAG-NJYVYQBISA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974685 1054953416 /nfs/dbraw/zinc/95/34/16/1054953416.db2.gz ZFPYLCQZMIBVAG-NJYVYQBISA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974685 1054953424 /nfs/dbraw/zinc/95/34/24/1054953424.db2.gz ZFPYLCQZMIBVAG-NJYVYQBISA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974685 1054953433 /nfs/dbraw/zinc/95/34/33/1054953433.db2.gz ZFPYLCQZMIBVAG-NJYVYQBISA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201972936 1054975166 /nfs/dbraw/zinc/97/51/66/1054975166.db2.gz KPQKBZUXEWOZFE-IBGZPJMESA-N 2 2 344.547 4.067 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201972936 1054975177 /nfs/dbraw/zinc/97/51/77/1054975177.db2.gz KPQKBZUXEWOZFE-IBGZPJMESA-N 2 2 344.547 4.067 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876932858 1054986969 /nfs/dbraw/zinc/98/69/69/1054986969.db2.gz YFIAUOOCDJKSEG-CQSZACIVSA-N 2 2 349.931 4.461 20 0 EIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876932858 1054986983 /nfs/dbraw/zinc/98/69/83/1054986983.db2.gz YFIAUOOCDJKSEG-CQSZACIVSA-N 2 2 349.931 4.461 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380309 1055059226 /nfs/dbraw/zinc/05/92/26/1055059226.db2.gz TYBRTSBXJUNWNY-QJPTWQEYSA-N 2 2 347.812 4.031 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380309 1055059243 /nfs/dbraw/zinc/05/92/43/1055059243.db2.gz TYBRTSBXJUNWNY-QJPTWQEYSA-N 2 2 347.812 4.031 20 0 EIADLP C[NH+]1CCC([N@H+](CCCC(F)(F)F)Cc2ccc(F)cc2)CC1 ZINC001202445020 1055176237 /nfs/dbraw/zinc/17/62/37/1055176237.db2.gz SNEMMVLHGYFATD-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP C[NH+]1CCC([N@@H+](CCCC(F)(F)F)Cc2ccc(F)cc2)CC1 ZINC001202445020 1055176239 /nfs/dbraw/zinc/17/62/39/1055176239.db2.gz SNEMMVLHGYFATD-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)c1Cl ZINC000660417438 1055432121 /nfs/dbraw/zinc/43/21/21/1055432121.db2.gz ZRVUAELLLJNLGW-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000660417438 1055432142 /nfs/dbraw/zinc/43/21/42/1055432142.db2.gz ZRVUAELLLJNLGW-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CCC2)o1 ZINC000542671930 1055555768 /nfs/dbraw/zinc/55/57/68/1055555768.db2.gz YSBBLFBGPZRNKY-NRFANRHFSA-N 2 2 335.451 4.464 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709896 1055997560 /nfs/dbraw/zinc/99/75/60/1055997560.db2.gz FSUGMXFDHCHLSC-LMPOIIKSSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709896 1055997569 /nfs/dbraw/zinc/99/75/69/1055997569.db2.gz FSUGMXFDHCHLSC-LMPOIIKSSA-N 2 2 332.454 4.350 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000542831914 1056169786 /nfs/dbraw/zinc/16/97/86/1056169786.db2.gz SBRWDJZOBBVTQB-CZAAIQMYSA-N 2 2 348.506 4.146 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)CCC2 ZINC000354475845 1056516556 /nfs/dbraw/zinc/51/65/56/1056516556.db2.gz LJFGUNYLWYRWEE-JWMHWRSXSA-N 2 2 343.437 4.416 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C/c3ccccc3)CC2)cc1 ZINC000742377303 1058602896 /nfs/dbraw/zinc/60/28/96/1058602896.db2.gz APKOWBMGSCRYNZ-RMKNXTFCSA-N 2 2 335.495 4.024 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832740 1060146252 /nfs/dbraw/zinc/14/62/52/1060146252.db2.gz YDHIIFIBSJEWRY-HNAYVOBHSA-N 2 2 343.540 4.323 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832740 1060146273 /nfs/dbraw/zinc/14/62/73/1060146273.db2.gz YDHIIFIBSJEWRY-HNAYVOBHSA-N 2 2 343.540 4.323 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(Cl)cc1Cl)C2 ZINC001169099638 1060636320 /nfs/dbraw/zinc/63/63/20/1060636320.db2.gz CZZRFHOSDLEURY-BTTYYORXSA-N 2 2 327.299 4.443 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(Cl)cc1Cl)C2 ZINC001169099638 1060636328 /nfs/dbraw/zinc/63/63/28/1060636328.db2.gz CZZRFHOSDLEURY-BTTYYORXSA-N 2 2 327.299 4.443 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169690026 1060903349 /nfs/dbraw/zinc/90/33/49/1060903349.db2.gz QKGUSAPZVYKNEV-SFHVURJKSA-N 2 2 336.414 4.252 20 0 EIADLP c1coc(C2=CCC[NH+](CCC[N@@H+]3CCC=C(c4ccco4)C3)C2)c1 ZINC000352570316 370687993 /nfs/dbraw/zinc/68/79/93/370687993.db2.gz FVPVKTPBOSUBPR-UHFFFAOYSA-N 2 2 338.451 4.141 20 0 EIADLP c1coc(C2=CCC[NH+](CCC[N@H+]3CCC=C(c4ccco4)C3)C2)c1 ZINC000352570316 370688000 /nfs/dbraw/zinc/68/80/00/370688000.db2.gz FVPVKTPBOSUBPR-UHFFFAOYSA-N 2 2 338.451 4.141 20 0 EIADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)c(C)s1 ZINC000359884591 201116727 /nfs/dbraw/zinc/11/67/27/201116727.db2.gz YRLKDJINEFBROQ-SGTLLEGYSA-N 2 2 349.569 4.130 20 0 EIADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)c(C)s1 ZINC000359884591 201116731 /nfs/dbraw/zinc/11/67/31/201116731.db2.gz YRLKDJINEFBROQ-SGTLLEGYSA-N 2 2 349.569 4.130 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000359865301 201113548 /nfs/dbraw/zinc/11/35/48/201113548.db2.gz DEJZUOFFLRJWOV-IBGZPJMESA-N 2 2 334.467 4.219 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000359865301 201113551 /nfs/dbraw/zinc/11/35/51/201113551.db2.gz DEJZUOFFLRJWOV-IBGZPJMESA-N 2 2 334.467 4.219 20 0 EIADLP c1cc(N2CCC([NH2+]c3ccc(N4CCCCC4)cc3)CC2)cc[nH+]1 ZINC000297923591 526430939 /nfs/dbraw/zinc/43/09/39/526430939.db2.gz UBDNOEKJCPXVDC-UHFFFAOYSA-N 2 2 336.483 4.153 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238702 1032116338 /nfs/dbraw/zinc/11/63/38/1032116338.db2.gz OUADWFQROOLXDM-ZIAGYGMSSA-N 2 2 328.472 4.036 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238702 1032116353 /nfs/dbraw/zinc/11/63/53/1032116353.db2.gz OUADWFQROOLXDM-ZIAGYGMSSA-N 2 2 328.472 4.036 20 0 EIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)[C@@H]1C=CCCC1 ZINC000532713686 1032139520 /nfs/dbraw/zinc/13/95/20/1032139520.db2.gz CJWONNVEMCDGDM-HXUWFJFHSA-N 2 2 339.483 4.283 20 0 EIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C=CCCC1 ZINC000532713686 1032139530 /nfs/dbraw/zinc/13/95/30/1032139530.db2.gz CJWONNVEMCDGDM-HXUWFJFHSA-N 2 2 339.483 4.283 20 0 EIADLP Cc1cc(N2CCC([N@H+](C)Cc3ccsc3)CC2)nc(C(C)C)[nH+]1 ZINC000360074317 1032236889 /nfs/dbraw/zinc/23/68/89/1032236889.db2.gz IOWRLGPVPHNLAV-UHFFFAOYSA-N 2 2 344.528 4.071 20 0 EIADLP Cc1cc(N2CCC([N@@H+](C)Cc3ccsc3)CC2)nc(C(C)C)[nH+]1 ZINC000360074317 1032236899 /nfs/dbraw/zinc/23/68/99/1032236899.db2.gz IOWRLGPVPHNLAV-UHFFFAOYSA-N 2 2 344.528 4.071 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cnc3ccsc3c1)CCC2 ZINC000360079890 1032239922 /nfs/dbraw/zinc/23/99/22/1032239922.db2.gz RGFHZZGYXXSCTC-KBPBESRZSA-N 2 2 326.469 4.029 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831056 1032337626 /nfs/dbraw/zinc/33/76/26/1032337626.db2.gz GHABZJHSJTUFDJ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831056 1032337635 /nfs/dbraw/zinc/33/76/35/1032337635.db2.gz GHABZJHSJTUFDJ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831056 1032337651 /nfs/dbraw/zinc/33/76/51/1032337651.db2.gz GHABZJHSJTUFDJ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831056 1032337662 /nfs/dbraw/zinc/33/76/62/1032337662.db2.gz GHABZJHSJTUFDJ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2ccccc2n1 ZINC000177896922 1032524956 /nfs/dbraw/zinc/52/49/56/1032524956.db2.gz QAOMUYUUMVDRHS-KRWDZBQOSA-N 2 2 342.446 4.330 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000178320645 1032533779 /nfs/dbraw/zinc/53/37/79/1032533779.db2.gz HPFMFWRVPFTBKV-KNKQGSTJSA-N 2 2 337.511 4.075 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000178320645 1032533788 /nfs/dbraw/zinc/53/37/88/1032533788.db2.gz HPFMFWRVPFTBKV-KNKQGSTJSA-N 2 2 337.511 4.075 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179136927 1032555987 /nfs/dbraw/zinc/55/59/87/1032555987.db2.gz PTEXXNAEMZYDOW-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179136927 1032556001 /nfs/dbraw/zinc/55/60/01/1032556001.db2.gz PTEXXNAEMZYDOW-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000180232381 1032600830 /nfs/dbraw/zinc/60/08/30/1032600830.db2.gz WMUDVRSYDVUHAM-SFHVURJKSA-N 2 2 327.378 4.391 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)co2)cc1 ZINC000579822389 1019382321 /nfs/dbraw/zinc/38/23/21/1019382321.db2.gz GUJPSQLAABAPGG-VAMGGRTRSA-N 2 2 339.483 4.050 20 0 EIADLP Cc1cc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000471167545 1019570101 /nfs/dbraw/zinc/57/01/01/1019570101.db2.gz CSUZMHBJEKDLBR-QGZVFWFLSA-N 2 2 327.472 4.100 20 0 EIADLP Cc1cc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000471167545 1019570117 /nfs/dbraw/zinc/57/01/17/1019570117.db2.gz CSUZMHBJEKDLBR-QGZVFWFLSA-N 2 2 327.472 4.100 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000471172797 1019626351 /nfs/dbraw/zinc/62/63/51/1019626351.db2.gz JOQZNDTWXFBUSS-LJQANCHMSA-N 2 2 335.451 4.211 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000471172797 1019626358 /nfs/dbraw/zinc/62/63/58/1019626358.db2.gz JOQZNDTWXFBUSS-LJQANCHMSA-N 2 2 335.451 4.211 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000274892554 1019840004 /nfs/dbraw/zinc/84/00/04/1019840004.db2.gz JSALVMWAGPBBNE-BQFCYCMXSA-N 2 2 343.540 4.267 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274892554 1019840009 /nfs/dbraw/zinc/84/00/09/1019840009.db2.gz JSALVMWAGPBBNE-BQFCYCMXSA-N 2 2 343.540 4.267 20 0 EIADLP CC[N@H+](CCCCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154723577 1019978947 /nfs/dbraw/zinc/97/89/47/1019978947.db2.gz SRTHDZXMXSPPGW-UHFFFAOYSA-N 2 2 343.437 4.353 20 0 EIADLP CC[N@@H+](CCCCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154723577 1019978966 /nfs/dbraw/zinc/97/89/66/1019978966.db2.gz SRTHDZXMXSPPGW-UHFFFAOYSA-N 2 2 343.437 4.353 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000340207064 1020629188 /nfs/dbraw/zinc/62/91/88/1020629188.db2.gz ARDINKPASSZNDE-LJQANCHMSA-N 2 2 344.499 4.115 20 0 EIADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000655686426 1020894381 /nfs/dbraw/zinc/89/43/81/1020894381.db2.gz GRWFPMGALZTOTH-NRFANRHFSA-N 2 2 331.463 4.325 20 0 EIADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000655700632 1020904288 /nfs/dbraw/zinc/90/42/88/1020904288.db2.gz KEENZHBEQPRGNC-FGZHOGPDSA-N 2 2 342.527 4.151 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@H](C)SC2)c(C)c1 ZINC000655735427 1020923710 /nfs/dbraw/zinc/92/37/10/1020923710.db2.gz VHGYFOCLQACWHC-LNLFQRSKSA-N 2 2 329.513 4.115 20 0 EIADLP c1ccc([C@@H](CC2CCCC2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655736330 1020926894 /nfs/dbraw/zinc/92/68/94/1020926894.db2.gz DIVKSNXOSCKKPC-FCHUYYIVSA-N 2 2 342.527 4.151 20 0 EIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655735999 1020927521 /nfs/dbraw/zinc/92/75/21/1020927521.db2.gz CEKLYMMGPXFFGT-IRLDBZIGSA-N 2 2 342.527 4.030 20 0 EIADLP c1ccc([C@H](CC2CCCC2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655736332 1020927589 /nfs/dbraw/zinc/92/75/89/1020927589.db2.gz DIVKSNXOSCKKPC-VXKWHMMOSA-N 2 2 342.527 4.151 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000122162468 1021039711 /nfs/dbraw/zinc/03/97/11/1021039711.db2.gz LHKPGVMTSKDCET-HNNXBMFYSA-N 2 2 330.422 4.280 20 0 EIADLP C[C@@H](Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH+](C)CC1 ZINC000683694233 1021104091 /nfs/dbraw/zinc/10/40/91/1021104091.db2.gz NSVUCSMLWSSNRN-MRXNPFEDSA-N 2 2 338.499 4.029 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000683772951 1021465855 /nfs/dbraw/zinc/46/58/55/1021465855.db2.gz USRRGKVGXNCNKQ-HNNXBMFYSA-N 2 2 331.872 4.209 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000685834252 1021649204 /nfs/dbraw/zinc/64/92/04/1021649204.db2.gz AYBZTFTUUDPHBD-WSYSLRRZSA-N 2 2 347.409 4.294 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000685834252 1021649211 /nfs/dbraw/zinc/64/92/11/1021649211.db2.gz AYBZTFTUUDPHBD-WSYSLRRZSA-N 2 2 347.409 4.294 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)ccc1Br ZINC000376178572 1021679240 /nfs/dbraw/zinc/67/92/40/1021679240.db2.gz RUSDLXNCWZFTNH-HIFRSBDPSA-N 2 2 348.288 4.182 20 0 EIADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683819208 1021694403 /nfs/dbraw/zinc/69/44/03/1021694403.db2.gz OIMDCWYVUSOHDE-AGHHOFFYSA-N 2 2 349.478 4.070 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000414055704 1021745478 /nfs/dbraw/zinc/74/54/78/1021745478.db2.gz CWGDRYMEGAYUAB-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000414119790 1021878321 /nfs/dbraw/zinc/87/83/21/1021878321.db2.gz WXAZBXBOLWHBNT-BHYGNILZSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038058 1021967147 /nfs/dbraw/zinc/96/71/47/1021967147.db2.gz QQPCJQZBGFWZKF-YWZLYKJASA-N 2 2 346.877 4.479 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038058 1021967164 /nfs/dbraw/zinc/96/71/64/1021967164.db2.gz QQPCJQZBGFWZKF-YWZLYKJASA-N 2 2 346.877 4.479 20 0 EIADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000683926962 1021991177 /nfs/dbraw/zinc/99/11/77/1021991177.db2.gz CZUBUSNFCWCJFJ-UHFFFAOYSA-N 2 2 337.442 4.061 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000580534496 1022173688 /nfs/dbraw/zinc/17/36/88/1022173688.db2.gz MIVHHRSGYYAKRT-XLIONFOSSA-N 2 2 327.516 4.310 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000924576633 1022325447 /nfs/dbraw/zinc/32/54/47/1022325447.db2.gz VFYCYCKDUHCKPL-SFHVURJKSA-N 2 2 336.838 4.040 20 0 EIADLP COC1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000893184881 1022567220 /nfs/dbraw/zinc/56/72/20/1022567220.db2.gz ZJOXRRSXOZEUGE-GRERDSQWSA-N 2 2 341.499 4.036 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C(C)(C)C)oc2C)cn1 ZINC000892634173 1022730737 /nfs/dbraw/zinc/73/07/37/1022730737.db2.gz OVLDGWTYPSYIPO-UHFFFAOYSA-N 2 2 338.455 4.064 20 0 EIADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000376476583 1022800791 /nfs/dbraw/zinc/80/07/91/1022800791.db2.gz IIDFFTZKMSQTNA-JXFKEZNVSA-N 2 2 344.524 4.078 20 0 EIADLP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000581291056 1022968982 /nfs/dbraw/zinc/96/89/82/1022968982.db2.gz VJDGIAAQBZXWKD-HKUYNNGSSA-N 2 2 331.891 4.318 20 0 EIADLP CCCSC[C@@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000893282991 1023082330 /nfs/dbraw/zinc/08/23/30/1023082330.db2.gz QFUKNWXZFHFRPO-MRXNPFEDSA-N 2 2 335.561 4.161 20 0 EIADLP C[C@H](Cc1ccsc1)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000584748634 1023275872 /nfs/dbraw/zinc/27/58/72/1023275872.db2.gz ZSMOTUQJZCZTNL-QGZVFWFLSA-N 2 2 328.525 4.276 20 0 EIADLP C[C@H](Cc1ccsc1)[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000584748634 1023275883 /nfs/dbraw/zinc/27/58/83/1023275883.db2.gz ZSMOTUQJZCZTNL-QGZVFWFLSA-N 2 2 328.525 4.276 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415084018 1023432550 /nfs/dbraw/zinc/43/25/50/1023432550.db2.gz QPWTXUXYJQIPJI-NHYWBVRUSA-N 2 2 335.904 4.175 20 0 EIADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415086175 1023435337 /nfs/dbraw/zinc/43/53/37/1023435337.db2.gz UIGLEYUEICQKCU-QFBILLFUSA-N 2 2 332.850 4.300 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415092995 1023439051 /nfs/dbraw/zinc/43/90/51/1023439051.db2.gz UPWFAICOBWHVHB-JXFKEZNVSA-N 2 2 344.886 4.170 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(c1ccccc1)c1ccccc1 ZINC000377414563 1023519831 /nfs/dbraw/zinc/51/98/31/1023519831.db2.gz VLDFCUDFYRWPHS-APWZRJJASA-N 2 2 331.463 4.077 20 0 EIADLP C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000651469436 1023524995 /nfs/dbraw/zinc/52/49/95/1023524995.db2.gz NLEOXOJLYMDXEE-KTAKPFMOSA-N 2 2 335.398 4.073 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210331 1023546281 /nfs/dbraw/zinc/54/62/81/1023546281.db2.gz VPKBMEDGLKRJMN-UZLBHIALSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210331 1023546292 /nfs/dbraw/zinc/54/62/92/1023546292.db2.gz VPKBMEDGLKRJMN-UZLBHIALSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167754054 1023635875 /nfs/dbraw/zinc/63/58/75/1023635875.db2.gz UEHSRZWKDCQZSR-LBPRGKRZSA-N 2 2 340.393 4.258 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167754054 1023635884 /nfs/dbraw/zinc/63/58/84/1023635884.db2.gz UEHSRZWKDCQZSR-LBPRGKRZSA-N 2 2 340.393 4.258 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C/C=C\c3ccccc3)C2)CC1 ZINC000684412778 1023666343 /nfs/dbraw/zinc/66/63/43/1023666343.db2.gz XQMHYPIPYRQQCG-DAXSKMNVSA-N 2 2 338.417 4.095 20 0 EIADLP Clc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000349569589 1023933533 /nfs/dbraw/zinc/93/35/33/1023933533.db2.gz PPRRHRNWLPIBKX-UHFFFAOYSA-N 2 2 335.904 4.072 20 0 EIADLP Fc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1Cl ZINC000549545492 1024069774 /nfs/dbraw/zinc/06/97/74/1024069774.db2.gz WROGOJGUHPKEQK-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCOCC1)c1ccccc1 ZINC000510648113 1024169147 /nfs/dbraw/zinc/16/91/47/1024169147.db2.gz DSYKEQNECDPKTR-WMQCIHAUSA-N 2 2 342.527 4.055 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949292 1024318736 /nfs/dbraw/zinc/31/87/36/1024318736.db2.gz IGAMDDKDNDTWJV-QGZVFWFLSA-N 2 2 334.479 4.280 20 0 EIADLP CC(C)[C@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000276814216 1024334325 /nfs/dbraw/zinc/33/43/25/1024334325.db2.gz ADETYAUHYDUGOX-YLJYHZDGSA-N 2 2 347.572 4.159 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCOc3cc(Cl)ccc31)CCC2 ZINC000341702475 1024352708 /nfs/dbraw/zinc/35/27/08/1024352708.db2.gz XJLJOLTXCFPQAE-WMLDXEAASA-N 2 2 345.874 4.226 20 0 EIADLP CCCCc1noc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000048562718 1024653225 /nfs/dbraw/zinc/65/32/25/1024653225.db2.gz BUVQAWVEDNHPHT-KRWDZBQOSA-N 2 2 348.535 4.061 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174463 1024779057 /nfs/dbraw/zinc/77/90/57/1024779057.db2.gz CMYHQXHJBNKPNY-ZFWWWQNUSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174463 1024779087 /nfs/dbraw/zinc/77/90/87/1024779087.db2.gz CMYHQXHJBNKPNY-ZFWWWQNUSA-N 2 2 347.256 4.058 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000535685590 1024884097 /nfs/dbraw/zinc/88/40/97/1024884097.db2.gz KKVVNHCWLDNCME-LJQANCHMSA-N 2 2 341.886 4.371 20 0 EIADLP C[C@@H](Cc1ccccc1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000662157218 1024890445 /nfs/dbraw/zinc/89/04/45/1024890445.db2.gz UTXBKGJBYDWDFR-IBGZPJMESA-N 2 2 333.479 4.096 20 0 EIADLP C[C@@H](Cc1ccccc1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000662157218 1024890448 /nfs/dbraw/zinc/89/04/48/1024890448.db2.gz UTXBKGJBYDWDFR-IBGZPJMESA-N 2 2 333.479 4.096 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000221669250 1024936924 /nfs/dbraw/zinc/93/69/24/1024936924.db2.gz XLIKGXGMGOYLDL-CQSZACIVSA-N 2 2 339.321 4.220 20 0 EIADLP c1csc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)c1 ZINC000663344554 1025138881 /nfs/dbraw/zinc/13/88/81/1025138881.db2.gz ALBIONXZLCSKCZ-OAHLLOKOSA-N 2 2 347.553 4.083 20 0 EIADLP c1csc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000663344554 1025138894 /nfs/dbraw/zinc/13/88/94/1025138894.db2.gz ALBIONXZLCSKCZ-OAHLLOKOSA-N 2 2 347.553 4.083 20 0 EIADLP c1csc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)c1 ZINC000663344553 1025139713 /nfs/dbraw/zinc/13/97/13/1025139713.db2.gz ALBIONXZLCSKCZ-HNNXBMFYSA-N 2 2 347.553 4.083 20 0 EIADLP c1csc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000663344553 1025139731 /nfs/dbraw/zinc/13/97/31/1025139731.db2.gz ALBIONXZLCSKCZ-HNNXBMFYSA-N 2 2 347.553 4.083 20 0 EIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347067 1025143384 /nfs/dbraw/zinc/14/33/84/1025143384.db2.gz HIOYQSQVTUJGLS-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347067 1025143402 /nfs/dbraw/zinc/14/34/02/1025143402.db2.gz HIOYQSQVTUJGLS-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Cl)c1 ZINC000121347351 1025204544 /nfs/dbraw/zinc/20/45/44/1025204544.db2.gz AEHREXUZWFLOLE-CYBMUJFWSA-N 2 2 333.838 4.194 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342102254 1025238849 /nfs/dbraw/zinc/23/88/49/1025238849.db2.gz SHHWIZTWEZLBSN-UHFFFAOYSA-N 2 2 336.564 4.359 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)c[nH+]1 ZINC000151318873 1025280770 /nfs/dbraw/zinc/28/07/70/1025280770.db2.gz ALSGEEBHBOOYRW-IBGZPJMESA-N 2 2 335.476 4.258 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092750022 1025498732 /nfs/dbraw/zinc/49/87/32/1025498732.db2.gz VNNLBSRHJYMNIQ-JKSUJKDBSA-N 2 2 327.447 4.097 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415520 1025885014 /nfs/dbraw/zinc/88/50/14/1025885014.db2.gz CWESGZXCEOBIGX-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415520 1025885017 /nfs/dbraw/zinc/88/50/17/1025885017.db2.gz CWESGZXCEOBIGX-ZIAGYGMSSA-N 2 2 345.314 4.145 20 0 EIADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(CC)CC ZINC000344029915 1025886328 /nfs/dbraw/zinc/88/63/28/1025886328.db2.gz CYONWNXESOBQFE-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCC2 ZINC000344028733 1025889494 /nfs/dbraw/zinc/88/94/94/1025889494.db2.gz ABRABGVGPKJKPO-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000344032749 1025893091 /nfs/dbraw/zinc/89/30/91/1025893091.db2.gz JNOMKFRPJHZKKJ-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187773078 1025893181 /nfs/dbraw/zinc/89/31/81/1025893181.db2.gz SHNSOESMBHZAQY-IFMALSPDSA-N 2 2 335.495 4.150 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000512083645 1025906144 /nfs/dbraw/zinc/90/61/44/1025906144.db2.gz RQYBDOAKKQMKEY-GOSISDBHSA-N 2 2 349.931 4.489 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000512098013 1025970570 /nfs/dbraw/zinc/97/05/70/1025970570.db2.gz HYTDPBDMNSZDQN-KRWDZBQOSA-N 2 2 335.492 4.221 20 0 EIADLP CC[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455732 1025988155 /nfs/dbraw/zinc/98/81/55/1025988155.db2.gz IUMQDZSEJBJRPV-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP CC[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455732 1025988198 /nfs/dbraw/zinc/98/81/98/1025988198.db2.gz IUMQDZSEJBJRPV-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000512115965 1026040439 /nfs/dbraw/zinc/04/04/39/1026040439.db2.gz RCOOKXVWSROKAX-IBGZPJMESA-N 2 2 347.503 4.365 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303727064 1026188304 /nfs/dbraw/zinc/18/83/04/1026188304.db2.gz CKXIIJDWCCTTQV-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303727064 1026188311 /nfs/dbraw/zinc/18/83/11/1026188311.db2.gz CKXIIJDWCCTTQV-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727064 1026188318 /nfs/dbraw/zinc/18/83/18/1026188318.db2.gz CKXIIJDWCCTTQV-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727064 1026188319 /nfs/dbraw/zinc/18/83/19/1026188319.db2.gz CKXIIJDWCCTTQV-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1cc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1F ZINC000894548146 1026200114 /nfs/dbraw/zinc/20/01/14/1026200114.db2.gz XJCYBTMYFKGSRV-HEHGZKQESA-N 2 2 349.400 4.000 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000152238594 1026241143 /nfs/dbraw/zinc/24/11/43/1026241143.db2.gz BSOPRXQWJFHTSS-LBPRGKRZSA-N 2 2 331.341 4.140 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192739 1026345550 /nfs/dbraw/zinc/34/55/50/1026345550.db2.gz BUEFTMLBGBGJEH-OALUTQOASA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192739 1026345565 /nfs/dbraw/zinc/34/55/65/1026345565.db2.gz BUEFTMLBGBGJEH-OALUTQOASA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192739 1026345578 /nfs/dbraw/zinc/34/55/78/1026345578.db2.gz BUEFTMLBGBGJEH-OALUTQOASA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192739 1026345591 /nfs/dbraw/zinc/34/55/91/1026345591.db2.gz BUEFTMLBGBGJEH-OALUTQOASA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119731021 1026413804 /nfs/dbraw/zinc/41/38/04/1026413804.db2.gz LMQDVNNJZNNMOL-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337382951 1026495563 /nfs/dbraw/zinc/49/55/63/1026495563.db2.gz JZALGFXGZYVLRK-HNNXBMFYSA-N 2 2 347.865 4.392 20 0 EIADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337382951 1026495577 /nfs/dbraw/zinc/49/55/77/1026495577.db2.gz JZALGFXGZYVLRK-HNNXBMFYSA-N 2 2 347.865 4.392 20 0 EIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(-c2ccsc2)s1 ZINC000582514678 1026735398 /nfs/dbraw/zinc/73/53/98/1026735398.db2.gz TXOUOLBQDXBIBO-UHFFFAOYSA-N 2 2 337.558 4.425 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(-c2ccsc2)s1 ZINC000582514678 1026735406 /nfs/dbraw/zinc/73/54/06/1026735406.db2.gz TXOUOLBQDXBIBO-UHFFFAOYSA-N 2 2 337.558 4.425 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000152856230 1026857217 /nfs/dbraw/zinc/85/72/17/1026857217.db2.gz KPNCAYXCFXQIOD-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000507643993 1026863770 /nfs/dbraw/zinc/86/37/70/1026863770.db2.gz JTHXTFGDUGLTQL-UHFFFAOYSA-N 2 2 345.512 4.132 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000507643993 1026863773 /nfs/dbraw/zinc/86/37/73/1026863773.db2.gz JTHXTFGDUGLTQL-UHFFFAOYSA-N 2 2 345.512 4.132 20 0 EIADLP c1cn(-c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2)c[nH+]1 ZINC000342706232 1026868907 /nfs/dbraw/zinc/86/89/07/1026868907.db2.gz RNBUFWMLSOCJRN-UHFFFAOYSA-N 2 2 347.462 4.054 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000582621095 1026868990 /nfs/dbraw/zinc/86/89/90/1026868990.db2.gz DAEWMRGGKNTYQU-IBGZPJMESA-N 2 2 337.854 4.308 20 0 EIADLP CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000075758083 1027066020 /nfs/dbraw/zinc/06/60/20/1027066020.db2.gz KQZNBPIHEINKQH-UHFFFAOYSA-N 2 2 335.451 4.008 20 0 EIADLP CC(C)C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000474473144 1027100023 /nfs/dbraw/zinc/10/00/23/1027100023.db2.gz PTEJYXFAUHYLBP-FQEVSTJZSA-N 2 2 337.511 4.470 20 0 EIADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000301891394 1027136166 /nfs/dbraw/zinc/13/61/66/1027136166.db2.gz RKJHFKVWMNCMOT-UHFFFAOYSA-N 2 2 346.434 4.400 20 0 EIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000301891394 1027136180 /nfs/dbraw/zinc/13/61/80/1027136180.db2.gz RKJHFKVWMNCMOT-UHFFFAOYSA-N 2 2 346.434 4.400 20 0 EIADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000474489108 1027141705 /nfs/dbraw/zinc/14/17/05/1027141705.db2.gz NPKLITKNDYLYGU-ARFHVFGLSA-N 2 2 333.545 4.354 20 0 EIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000077482358 1027157945 /nfs/dbraw/zinc/15/79/45/1027157945.db2.gz DUCNCFPNIJGYHZ-AWEZNQCLSA-N 2 2 326.406 4.327 20 0 EIADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000520204860 1027315055 /nfs/dbraw/zinc/31/50/55/1027315055.db2.gz KBKNOEWNXUKMHU-IRXDYDNUSA-N 2 2 343.540 4.268 20 0 EIADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000078333293 1027320307 /nfs/dbraw/zinc/32/03/07/1027320307.db2.gz VFXNWFBWNQJBFB-UHFFFAOYSA-N 2 2 345.244 4.004 20 0 EIADLP CC(C)C[C@@H](C)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000520288352 1027393359 /nfs/dbraw/zinc/39/33/59/1027393359.db2.gz MVPAAPQYMKFQNA-RTBURBONSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnc(Cl)c1 ZINC000163249522 1027579095 /nfs/dbraw/zinc/57/90/95/1027579095.db2.gz ZGWKWPWJOLJXCR-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnc(Cl)c1 ZINC000163249522 1027579110 /nfs/dbraw/zinc/57/91/10/1027579110.db2.gz ZGWKWPWJOLJXCR-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090771641 1027593650 /nfs/dbraw/zinc/59/36/50/1027593650.db2.gz WMLARPSGDDYOBW-VQSBYGRUSA-N 2 2 327.472 4.259 20 0 EIADLP Fc1cccc([C@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000475561338 1027633238 /nfs/dbraw/zinc/63/32/38/1027633238.db2.gz XXXZTICVNIKXPP-AZUAARDMSA-N 2 2 335.426 4.437 20 0 EIADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000475561341 1027634006 /nfs/dbraw/zinc/63/40/06/1027634006.db2.gz XXXZTICVNIKXPP-UYAOXDASSA-N 2 2 335.426 4.437 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000474881332 1027728088 /nfs/dbraw/zinc/72/80/88/1027728088.db2.gz HVFCCQJVEBOKJT-QFUCXCTJSA-N 2 2 329.532 4.411 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(OC)c1 ZINC000153640956 1027813341 /nfs/dbraw/zinc/81/33/41/1027813341.db2.gz AWGJAZCNEJQNMV-IBGZPJMESA-N 2 2 339.414 4.261 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000443800424 1027894335 /nfs/dbraw/zinc/89/43/35/1027894335.db2.gz LWAIYMKINIIWMC-WSTZPKSXSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000443800424 1027894339 /nfs/dbraw/zinc/89/43/39/1027894339.db2.gz LWAIYMKINIIWMC-WSTZPKSXSA-N 2 2 329.532 4.098 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000153816563 1027980833 /nfs/dbraw/zinc/98/08/33/1027980833.db2.gz OFVPXXFNFCRTSV-CQSZACIVSA-N 2 2 348.487 4.211 20 0 EIADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382169 1028176571 /nfs/dbraw/zinc/17/65/71/1028176571.db2.gz RCDPVMSWAQXYHY-CEMLEFRQSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382169 1028176587 /nfs/dbraw/zinc/17/65/87/1028176587.db2.gz RCDPVMSWAQXYHY-CEMLEFRQSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000428382169 1028176602 /nfs/dbraw/zinc/17/66/02/1028176602.db2.gz RCDPVMSWAQXYHY-CEMLEFRQSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000428382169 1028176611 /nfs/dbraw/zinc/17/66/11/1028176611.db2.gz RCDPVMSWAQXYHY-CEMLEFRQSA-N 2 2 342.527 4.101 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000346205201 1028328350 /nfs/dbraw/zinc/32/83/50/1028328350.db2.gz LJWZMAGWLMQMLA-CQSZACIVSA-N 2 2 342.393 4.047 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000346205201 1028328356 /nfs/dbraw/zinc/32/83/56/1028328356.db2.gz LJWZMAGWLMQMLA-CQSZACIVSA-N 2 2 342.393 4.047 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282019412 1028437568 /nfs/dbraw/zinc/43/75/68/1028437568.db2.gz DXZPRVNHZKYOGX-IEBWSBKVSA-N 2 2 330.516 4.055 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000583408924 1028670114 /nfs/dbraw/zinc/67/01/14/1028670114.db2.gz SOCAQIYBBRTCIA-SFHVURJKSA-N 2 2 338.480 4.220 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000583408924 1028670122 /nfs/dbraw/zinc/67/01/22/1028670122.db2.gz SOCAQIYBBRTCIA-SFHVURJKSA-N 2 2 338.480 4.220 20 0 EIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000583470539 1028781462 /nfs/dbraw/zinc/78/14/62/1028781462.db2.gz RUJANLVWWDIQDN-IFMALSPDSA-N 2 2 345.490 4.457 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346883911 1028800972 /nfs/dbraw/zinc/80/09/72/1028800972.db2.gz ZIVAQKRIWJUPAN-MRXNPFEDSA-N 2 2 338.430 4.164 20 0 EIADLP C[C@H]([NH2+]CCCNc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346868070 1028801442 /nfs/dbraw/zinc/80/14/42/1028801442.db2.gz JFMQRTBGZVCHRH-INIZCTEOSA-N 2 2 338.430 4.164 20 0 EIADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256722 1028816816 /nfs/dbraw/zinc/81/68/16/1028816816.db2.gz PWRGNGYWJCTPRT-PMUMKWKESA-N 2 2 329.513 4.109 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000151108725 1029056753 /nfs/dbraw/zinc/05/67/53/1029056753.db2.gz HCTAEXWZNBJBGF-SFHVURJKSA-N 2 2 335.451 4.203 20 0 EIADLP c1cn(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000151115353 1029081538 /nfs/dbraw/zinc/08/15/38/1029081538.db2.gz NNJBDGBEDIPIJP-MRXNPFEDSA-N 2 2 338.480 4.064 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000151131497 1029141382 /nfs/dbraw/zinc/14/13/82/1029141382.db2.gz JIHSUXGPHNCCPC-CHWSQXEVSA-N 2 2 342.270 4.026 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000343438856 1029250072 /nfs/dbraw/zinc/25/00/72/1029250072.db2.gz GHIFJXDIWAHEHO-QUCCMNQESA-N 2 2 346.478 4.392 20 0 EIADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001141992177 1029332020 /nfs/dbraw/zinc/33/20/20/1029332020.db2.gz FSACTYZLXJJVBH-UHFFFAOYSA-N 2 2 339.483 4.100 20 0 EIADLP CCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000192709327 1029366397 /nfs/dbraw/zinc/36/63/97/1029366397.db2.gz XPEMDFUXENKURV-QGZVFWFLSA-N 2 2 339.483 4.190 20 0 EIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151355549 1029495995 /nfs/dbraw/zinc/49/59/95/1029495995.db2.gz OOFRWAGTZQBKCZ-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475342193 1029557717 /nfs/dbraw/zinc/55/77/17/1029557717.db2.gz KHKKKQWYHHOIRR-XNGJBWTFSA-N 2 2 332.454 4.350 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000447069276 1029686003 /nfs/dbraw/zinc/68/60/03/1029686003.db2.gz PABQJMCUPJCCHP-UHFFFAOYSA-N 2 2 345.512 4.088 20 0 EIADLP COc1c(C)cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000447094955 1029693068 /nfs/dbraw/zinc/69/30/68/1029693068.db2.gz WBLFUGRDQSCLKP-UHFFFAOYSA-N 2 2 340.467 4.059 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3ccc(Cl)cc23)cn1 ZINC000301272257 1029698093 /nfs/dbraw/zinc/69/80/93/1029698093.db2.gz JYNRNMWGBSCAHI-UHFFFAOYSA-N 2 2 349.825 4.389 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000429711231 1029705608 /nfs/dbraw/zinc/70/56/08/1029705608.db2.gz OSPBZEYUNYTPMC-UHFFFAOYSA-N 2 2 348.393 4.035 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569957 1029805198 /nfs/dbraw/zinc/80/51/98/1029805198.db2.gz MNGOFCAUPQAUOI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569957 1029805202 /nfs/dbraw/zinc/80/52/02/1029805202.db2.gz MNGOFCAUPQAUOI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569957 1029805206 /nfs/dbraw/zinc/80/52/06/1029805206.db2.gz MNGOFCAUPQAUOI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569957 1029805209 /nfs/dbraw/zinc/80/52/09/1029805209.db2.gz MNGOFCAUPQAUOI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3OC3CCCC3)C2)[nH]1 ZINC000092071549 1029898938 /nfs/dbraw/zinc/89/89/38/1029898938.db2.gz XQEBQJZKPZQFLU-KRWDZBQOSA-N 2 2 325.456 4.111 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3OC3CCCC3)C2)[nH]1 ZINC000092071549 1029898939 /nfs/dbraw/zinc/89/89/39/1029898939.db2.gz XQEBQJZKPZQFLU-KRWDZBQOSA-N 2 2 325.456 4.111 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000392267002 1030077670 /nfs/dbraw/zinc/07/76/70/1030077670.db2.gz XXBVPEREZGPXGY-UXHICEINSA-N 2 2 330.516 4.008 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222731 1030216835 /nfs/dbraw/zinc/21/68/35/1030216835.db2.gz RCPYHKQIIOQLGI-IIBYNOLFSA-N 2 2 336.479 4.297 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCCc2cnccc2C)c(C)c1 ZINC000685425771 1030304424 /nfs/dbraw/zinc/30/44/24/1030304424.db2.gz DKPGMYYXUDDZBD-JOCHJYFZSA-N 2 2 348.494 4.167 20 0 EIADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000527034231 1030416719 /nfs/dbraw/zinc/41/67/19/1030416719.db2.gz MHBQCDWXPDXGBR-KRWDZBQOSA-N 2 2 348.288 4.093 20 0 EIADLP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527042454 1030424901 /nfs/dbraw/zinc/42/49/01/1030424901.db2.gz HSBATDXRQNPHRN-CQSZACIVSA-N 2 2 327.378 4.044 20 0 EIADLP Fc1cc(C[NH2+]Cc2ccc(C(F)F)cc2)ccc1-n1cc[nH+]c1 ZINC000527228506 1030583055 /nfs/dbraw/zinc/58/30/55/1030583055.db2.gz SZFDOJWRSSCACG-UHFFFAOYSA-N 2 2 331.341 4.239 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109846 1030701669 /nfs/dbraw/zinc/70/16/69/1030701669.db2.gz CPLUTDVYPDDFOV-PGRDOPGGSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109846 1030701676 /nfs/dbraw/zinc/70/16/76/1030701676.db2.gz CPLUTDVYPDDFOV-PGRDOPGGSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000398187754 1030734328 /nfs/dbraw/zinc/73/43/28/1030734328.db2.gz YPJXSNZTPSSNPD-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000398187754 1030734347 /nfs/dbraw/zinc/73/43/47/1030734347.db2.gz YPJXSNZTPSSNPD-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000648462520 1030777982 /nfs/dbraw/zinc/77/79/82/1030777982.db2.gz CYNIJSLIGZBHPX-FGZHOGPDSA-N 2 2 345.490 4.241 20 0 EIADLP CC(C)Oc1cc(Cl)c(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000527629751 1030785106 /nfs/dbraw/zinc/78/51/06/1030785106.db2.gz QBRWFWHKHQFFCZ-UHFFFAOYSA-N 2 2 342.270 4.157 20 0 EIADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000527649308 1030800366 /nfs/dbraw/zinc/80/03/66/1030800366.db2.gz MSQCAMPAZOFQDE-CYBMUJFWSA-N 2 2 327.463 4.157 20 0 EIADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000658168015 1030863712 /nfs/dbraw/zinc/86/37/12/1030863712.db2.gz RMLPSURQSMUZDT-FQEVSTJZSA-N 2 2 327.447 4.176 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3cc(F)c(Cl)cc31)CCC2 ZINC000527860583 1030882433 /nfs/dbraw/zinc/88/24/33/1030882433.db2.gz AYVNMILORIJWRQ-GUYCJALGSA-N 2 2 333.838 4.139 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000037319134 1030899579 /nfs/dbraw/zinc/89/95/79/1030899579.db2.gz RTUBHEJAROFLPP-LBPRGKRZSA-N 2 2 345.350 4.426 20 0 EIADLP c1[nH+]c(C2CCN(c3[nH+]ccc4ccccc43)CC2)n2c1CCCC2 ZINC000527989207 1031017376 /nfs/dbraw/zinc/01/73/76/1031017376.db2.gz AGIANESJSCTGHH-UHFFFAOYSA-N 2 2 332.451 4.152 20 0 EIADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355242 1031203689 /nfs/dbraw/zinc/20/36/89/1031203689.db2.gz NXLSDKCHWMRPEW-SLFFLAALSA-N 2 2 342.483 4.091 20 0 EIADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355242 1031203717 /nfs/dbraw/zinc/20/37/17/1031203717.db2.gz NXLSDKCHWMRPEW-SLFFLAALSA-N 2 2 342.483 4.091 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589644 1031322114 /nfs/dbraw/zinc/32/21/14/1031322114.db2.gz ROVIOMMRJWFCJD-APWZRJJASA-N 2 2 330.516 4.119 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589644 1031322129 /nfs/dbraw/zinc/32/21/29/1031322129.db2.gz ROVIOMMRJWFCJD-APWZRJJASA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589644 1031322152 /nfs/dbraw/zinc/32/21/52/1031322152.db2.gz ROVIOMMRJWFCJD-APWZRJJASA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589644 1031322161 /nfs/dbraw/zinc/32/21/61/1031322161.db2.gz ROVIOMMRJWFCJD-APWZRJJASA-N 2 2 330.516 4.119 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)CC1 ZINC000449087188 1031416734 /nfs/dbraw/zinc/41/67/34/1031416734.db2.gz UTGLQOSBZOPIBC-RTWAWAEBSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)cc1 ZINC000531693624 1031504944 /nfs/dbraw/zinc/50/49/44/1031504944.db2.gz ZOFRPUIRXPAFFO-UHFFFAOYSA-N 2 2 345.490 4.032 20 0 EIADLP Cc1ccc2sc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426979 1031508391 /nfs/dbraw/zinc/50/83/91/1031508391.db2.gz WRIMCUVYNSHWMM-QAPCUYQASA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426979 1031508405 /nfs/dbraw/zinc/50/84/05/1031508405.db2.gz WRIMCUVYNSHWMM-QAPCUYQASA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000528426979 1031508422 /nfs/dbraw/zinc/50/84/22/1031508422.db2.gz WRIMCUVYNSHWMM-QAPCUYQASA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000528426979 1031508438 /nfs/dbraw/zinc/50/84/38/1031508438.db2.gz WRIMCUVYNSHWMM-QAPCUYQASA-N 2 2 341.524 4.053 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000453062546 1031555158 /nfs/dbraw/zinc/55/51/58/1031555158.db2.gz UHOXVKAOYZCWOW-SIKLNZKXSA-N 2 2 337.511 4.220 20 0 EIADLP c1cc2cccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2o1 ZINC000449304474 1031609471 /nfs/dbraw/zinc/60/94/71/1031609471.db2.gz BGNBBMLDHGAEAQ-GOSISDBHSA-N 2 2 335.451 4.345 20 0 EIADLP c1cc2cccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2o1 ZINC000449304474 1031609487 /nfs/dbraw/zinc/60/94/87/1031609487.db2.gz BGNBBMLDHGAEAQ-GOSISDBHSA-N 2 2 335.451 4.345 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cn1 ZINC000126346715 1031644194 /nfs/dbraw/zinc/64/41/94/1031644194.db2.gz BMLVVHJZBMSGIY-LBPRGKRZSA-N 2 2 344.821 4.219 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCc3sccc32)[nH+]1 ZINC000132249598 1031909521 /nfs/dbraw/zinc/90/95/21/1031909521.db2.gz VZKLZBHCXOMGGZ-GOSISDBHSA-N 2 2 337.492 4.203 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000152230957 1033802429 /nfs/dbraw/zinc/80/24/29/1033802429.db2.gz UPYTUHWXJWHDEH-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513073815 1034495372 /nfs/dbraw/zinc/49/53/72/1034495372.db2.gz GBDOOWZMHDZXBT-WIYYLYMNSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513073815 1034495388 /nfs/dbraw/zinc/49/53/88/1034495388.db2.gz GBDOOWZMHDZXBT-WIYYLYMNSA-N 2 2 345.490 4.378 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246544180 1034830521 /nfs/dbraw/zinc/83/05/21/1034830521.db2.gz WCCKGJKBPYDLLJ-CNNODRBYSA-N 2 2 336.479 4.001 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246544180 1034830524 /nfs/dbraw/zinc/83/05/24/1034830524.db2.gz WCCKGJKBPYDLLJ-CNNODRBYSA-N 2 2 336.479 4.001 20 0 EIADLP C[N@H+](C/C=C\c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496995 1034987268 /nfs/dbraw/zinc/98/72/68/1034987268.db2.gz OUWZEPXQWUHAFW-YVMONPNESA-N 2 2 338.470 4.435 20 0 EIADLP C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496995 1034987274 /nfs/dbraw/zinc/98/72/74/1034987274.db2.gz OUWZEPXQWUHAFW-YVMONPNESA-N 2 2 338.470 4.435 20 0 EIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000513526804 1035020887 /nfs/dbraw/zinc/02/08/87/1035020887.db2.gz QFNJNVYAEMNPIM-QXSWTLKVSA-N 2 2 329.875 4.415 20 0 EIADLP Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000195437013 1035843777 /nfs/dbraw/zinc/84/37/77/1035843777.db2.gz KPUJIBYIXRWRCV-UHFFFAOYSA-N 2 2 325.843 4.183 20 0 EIADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502451902 1036221961 /nfs/dbraw/zinc/22/19/61/1036221961.db2.gz LSXIPYCNKNTMHG-TYPHKJRUSA-N 2 2 341.499 4.036 20 0 EIADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502451900 1036223427 /nfs/dbraw/zinc/22/34/27/1036223427.db2.gz LSXIPYCNKNTMHG-JBACZVJFSA-N 2 2 341.499 4.036 20 0 EIADLP CC[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000668575125 1036429093 /nfs/dbraw/zinc/42/90/93/1036429093.db2.gz HBCQCOCYOXUXNN-NQIIRXRSSA-N 2 2 333.479 4.487 20 0 EIADLP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1C ZINC000572286784 1036485301 /nfs/dbraw/zinc/48/53/01/1036485301.db2.gz ZYOWMYKUZXJEIT-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1C ZINC000572286784 1036485318 /nfs/dbraw/zinc/48/53/18/1036485318.db2.gz ZYOWMYKUZXJEIT-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP CC(C)c1[nH+]c(CNc2ccc(N3CCCC3)c[nH+]2)c2ccccn21 ZINC000572488713 1036526318 /nfs/dbraw/zinc/52/63/18/1036526318.db2.gz SFNVYFATEVYORS-UHFFFAOYSA-N 2 2 335.455 4.065 20 0 EIADLP C[N@H+](CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)Cc1ccccc1 ZINC000513754182 1036650737 /nfs/dbraw/zinc/65/07/37/1036650737.db2.gz ISRUKRFEHBRDEY-HXUWFJFHSA-N 2 2 340.515 4.143 20 0 EIADLP C[N@@H+](CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)Cc1ccccc1 ZINC000513754182 1036650770 /nfs/dbraw/zinc/65/07/70/1036650770.db2.gz ISRUKRFEHBRDEY-HXUWFJFHSA-N 2 2 340.515 4.143 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c(F)c1 ZINC000421825042 1036781561 /nfs/dbraw/zinc/78/15/61/1036781561.db2.gz LJUQTWDTYKFRLK-FQEVSTJZSA-N 2 2 343.446 4.162 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Cl)CCC2 ZINC000421828768 1036783861 /nfs/dbraw/zinc/78/38/61/1036783861.db2.gz FEJQWDRFFYNQIK-IUODEOHRSA-N 2 2 335.854 4.082 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000572638862 1036804063 /nfs/dbraw/zinc/80/40/63/1036804063.db2.gz VAKMBSKXNJTMOL-UJMHRVFCSA-N 2 2 337.389 4.231 20 0 EIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C/C=C/c1ccncc1 ZINC000487283008 1037097572 /nfs/dbraw/zinc/09/75/72/1037097572.db2.gz XJLPMIQZJCEQBK-XYXUZSOXSA-N 2 2 349.522 4.157 20 0 EIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C/C=C/c1ccncc1 ZINC000487283008 1037097594 /nfs/dbraw/zinc/09/75/94/1037097594.db2.gz XJLPMIQZJCEQBK-XYXUZSOXSA-N 2 2 349.522 4.157 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000272330430 1037163948 /nfs/dbraw/zinc/16/39/48/1037163948.db2.gz XTUNSWUDUSNVSS-HNNXBMFYSA-N 2 2 344.528 4.155 20 0 EIADLP Cc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272791420 1037295159 /nfs/dbraw/zinc/29/51/59/1037295159.db2.gz CGOKVCVNDJEVEL-UHFFFAOYSA-N 2 2 342.449 4.279 20 0 EIADLP Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000573288731 1037449032 /nfs/dbraw/zinc/44/90/32/1037449032.db2.gz HXTKCCBTWXUFGN-LJQANCHMSA-N 2 2 333.479 4.351 20 0 EIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000573790796 1037697649 /nfs/dbraw/zinc/69/76/49/1037697649.db2.gz UNIUZEVUCPKJBB-NVXWUHKLSA-N 2 2 327.472 4.187 20 0 EIADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503410483 1037743018 /nfs/dbraw/zinc/74/30/18/1037743018.db2.gz BBAHWPBLWJNGMX-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1ccc(CCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503410483 1037743031 /nfs/dbraw/zinc/74/30/31/1037743031.db2.gz BBAHWPBLWJNGMX-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCCc3ccccc3)C2)n2c1CCCC2 ZINC000503415129 1037746784 /nfs/dbraw/zinc/74/67/84/1037746784.db2.gz IFJRZZZVIPNEIH-FQEVSTJZSA-N 2 2 337.511 4.422 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](CCCCc3ccccc3)C2)n2c1CCCC2 ZINC000503415129 1037746800 /nfs/dbraw/zinc/74/68/00/1037746800.db2.gz IFJRZZZVIPNEIH-FQEVSTJZSA-N 2 2 337.511 4.422 20 0 EIADLP Cc1sc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C(C)C ZINC000422702699 1037801849 /nfs/dbraw/zinc/80/18/49/1037801849.db2.gz FWAYCBFKFXZDKP-DLBZAZTESA-N 2 2 329.513 4.158 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971950 1037893818 /nfs/dbraw/zinc/89/38/18/1037893818.db2.gz ZEPFPWKQPDYTRH-NZUHHQEFSA-N 2 2 336.479 4.024 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000423021337 1037907795 /nfs/dbraw/zinc/90/77/95/1037907795.db2.gz BSQOGMLTEZHZJL-KZNAEPCWSA-N 2 2 328.843 4.288 20 0 EIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)sc1Cl ZINC000423184066 1038017246 /nfs/dbraw/zinc/01/72/46/1038017246.db2.gz HQZJGUMUDVZHRZ-LLVKDONJSA-N 2 2 344.311 4.280 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)sc1Br ZINC000423250721 1038079366 /nfs/dbraw/zinc/07/93/66/1038079366.db2.gz QXYPECZUPMIQRG-AAEUAGOBSA-N 2 2 339.302 4.170 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000423252269 1038082908 /nfs/dbraw/zinc/08/29/08/1038082908.db2.gz XGVJTAJKOQVKFK-UTKZUKDTSA-N 2 2 325.500 4.206 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423365655 1038183564 /nfs/dbraw/zinc/18/35/64/1038183564.db2.gz ZWSBSWIQHQAJEL-YCRPNKLZSA-N 2 2 332.451 4.183 20 0 EIADLP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cnc3ccccc3c2)cc1 ZINC000423368515 1038183705 /nfs/dbraw/zinc/18/37/05/1038183705.db2.gz RYVXOAOLGZXRIM-IRLDBZIGSA-N 2 2 349.453 4.195 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423377508 1038189655 /nfs/dbraw/zinc/18/96/55/1038189655.db2.gz LUASSVSAIUQHOX-UPRAQXHNSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423385190 1038195356 /nfs/dbraw/zinc/19/53/56/1038195356.db2.gz GMSWBYPAEPORSE-UPRAQXHNSA-N 2 2 332.850 4.156 20 0 EIADLP CC[C@@H](CC(F)F)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972788 1038219884 /nfs/dbraw/zinc/21/98/84/1038219884.db2.gz FPKVHBWCNGACPG-INIZCTEOSA-N 2 2 339.474 4.301 20 0 EIADLP CC[C@@H](CC(F)F)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972788 1038219900 /nfs/dbraw/zinc/21/99/00/1038219900.db2.gz FPKVHBWCNGACPG-INIZCTEOSA-N 2 2 339.474 4.301 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491212082 1038268142 /nfs/dbraw/zinc/26/81/42/1038268142.db2.gz GWBYQJIKSZVXQB-SFHVURJKSA-N 2 2 349.522 4.276 20 0 EIADLP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423512180 1038271386 /nfs/dbraw/zinc/27/13/86/1038271386.db2.gz UPGRADMULNRKGR-LAUBAEHRSA-N 3 2 334.467 4.003 20 0 EIADLP COc1cccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1 ZINC000606914664 1038307751 /nfs/dbraw/zinc/30/77/51/1038307751.db2.gz UEUMLKJWJFPNMW-GOSISDBHSA-N 2 2 338.495 4.448 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168564 1038367618 /nfs/dbraw/zinc/36/76/18/1038367618.db2.gz XJWDOVWJSQMGBJ-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168564 1038367634 /nfs/dbraw/zinc/36/76/34/1038367634.db2.gz XJWDOVWJSQMGBJ-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000490172610 1038369340 /nfs/dbraw/zinc/36/93/40/1038369340.db2.gz PAOUTQVSXILLTM-MRXNPFEDSA-N 2 2 344.449 4.376 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000490172610 1038369355 /nfs/dbraw/zinc/36/93/55/1038369355.db2.gz PAOUTQVSXILLTM-MRXNPFEDSA-N 2 2 344.449 4.376 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171835 1038371508 /nfs/dbraw/zinc/37/15/08/1038371508.db2.gz ISDGUIRBPJWVAS-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171835 1038371515 /nfs/dbraw/zinc/37/15/15/1038371515.db2.gz ISDGUIRBPJWVAS-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490296173 1038453638 /nfs/dbraw/zinc/45/36/38/1038453638.db2.gz DAIDTGWHCNMIOH-OLZOCXBDSA-N 2 2 334.261 4.113 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608068902 1038489754 /nfs/dbraw/zinc/48/97/54/1038489754.db2.gz KQUIPDLHJMNIDF-MNEFBYGVSA-N 2 2 335.451 4.210 20 0 EIADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1F ZINC000554952073 1038798529 /nfs/dbraw/zinc/79/85/29/1038798529.db2.gz ICIJTRCYAMQFQZ-JSGCOSHPSA-N 2 2 343.284 4.113 20 0 EIADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1F ZINC000554952073 1038798565 /nfs/dbraw/zinc/79/85/65/1038798565.db2.gz ICIJTRCYAMQFQZ-JSGCOSHPSA-N 2 2 343.284 4.113 20 0 EIADLP Clc1cc2c(s1)CC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000554966286 1038798743 /nfs/dbraw/zinc/79/87/43/1038798743.db2.gz ZIGKHPWXEYRQMA-CYBMUJFWSA-N 2 2 335.885 4.426 20 0 EIADLP Cc1cccc(C)c1OC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000461891663 1038812394 /nfs/dbraw/zinc/81/23/94/1038812394.db2.gz RGAYJRMZTCSICF-OAQYLSRUSA-N 2 2 338.495 4.107 20 0 EIADLP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000480786435 1038818639 /nfs/dbraw/zinc/81/86/39/1038818639.db2.gz ANXJCGTZSHAUTG-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP COc1ccccc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000539164212 1038864966 /nfs/dbraw/zinc/86/49/66/1038864966.db2.gz QMYRITRMEPQKJT-FQEVSTJZSA-N 2 2 327.472 4.193 20 0 EIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000462119603 1038939099 /nfs/dbraw/zinc/93/90/99/1038939099.db2.gz GEFXFVRDFNTKDC-WOJBJXKFSA-N 2 2 325.500 4.460 20 0 EIADLP COc1ccsc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629119 1039116271 /nfs/dbraw/zinc/11/62/71/1039116271.db2.gz SZTIDPQLOVZEPF-WMZOPIPTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629119 1039116293 /nfs/dbraw/zinc/11/62/93/1039116293.db2.gz SZTIDPQLOVZEPF-WMZOPIPTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629119 1039116306 /nfs/dbraw/zinc/11/63/06/1039116306.db2.gz SZTIDPQLOVZEPF-WMZOPIPTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629119 1039116324 /nfs/dbraw/zinc/11/63/24/1039116324.db2.gz SZTIDPQLOVZEPF-WMZOPIPTSA-N 2 2 344.524 4.242 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000477930900 1039220454 /nfs/dbraw/zinc/22/04/54/1039220454.db2.gz AVDLZNQMPKQTCD-NQSCKRDGSA-N 2 2 347.462 4.301 20 0 EIADLP CC(C)(C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000477921292 1039232522 /nfs/dbraw/zinc/23/25/22/1039232522.db2.gz NXSDMYMZYOFUJV-HXUWFJFHSA-N 2 2 341.474 4.022 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)o1 ZINC000093564130 1039716924 /nfs/dbraw/zinc/71/69/24/1039716924.db2.gz LQAPQRYHKHVUFU-INIZCTEOSA-N 2 2 345.512 4.162 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)o1 ZINC000093564130 1039716948 /nfs/dbraw/zinc/71/69/48/1039716948.db2.gz LQAPQRYHKHVUFU-INIZCTEOSA-N 2 2 345.512 4.162 20 0 EIADLP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)cc1Cl ZINC001168351208 1039719681 /nfs/dbraw/zinc/71/96/81/1039719681.db2.gz MHPFOLGIGJVSJH-UHFFFAOYSA-N 2 2 331.262 4.097 20 0 EIADLP FC1(F)CCC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000514232734 1039787167 /nfs/dbraw/zinc/78/71/67/1039787167.db2.gz PRNIBHJCHRBAPL-KRWDZBQOSA-N 2 2 325.447 4.201 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122789503 1039793030 /nfs/dbraw/zinc/79/30/30/1039793030.db2.gz MKFHFLILLIFTCW-SJORKVTESA-N 2 2 335.451 4.250 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678424 1039795531 /nfs/dbraw/zinc/79/55/31/1039795531.db2.gz GNUNTVHRZPNKQO-CQSZACIVSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434676583 1039810254 /nfs/dbraw/zinc/81/02/54/1039810254.db2.gz SBJNKQPOXDNWIX-AWEZNQCLSA-N 2 2 345.437 4.438 20 0 EIADLP C[N@H+](Cc1ccnc2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000535086266 1039926102 /nfs/dbraw/zinc/92/61/02/1039926102.db2.gz QWALKEQEKYIQDC-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1ccnc2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000535086266 1039926115 /nfs/dbraw/zinc/92/61/15/1039926115.db2.gz QWALKEQEKYIQDC-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162892736 1039932523 /nfs/dbraw/zinc/93/25/23/1039932523.db2.gz IOUXVLRJNRRKEN-SJORKVTESA-N 2 2 327.472 4.064 20 0 EIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000482166293 1040055703 /nfs/dbraw/zinc/05/57/03/1040055703.db2.gz SWUHSYMFBNNDCV-CRAIPNDOSA-N 2 2 347.528 4.393 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)C[NH+]1CCCCC1 ZINC000510031652 1040127422 /nfs/dbraw/zinc/12/74/22/1040127422.db2.gz XXLCROJQYDEXNR-INIZCTEOSA-N 2 2 345.512 4.037 20 0 EIADLP C(C1CCCC1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000514745741 1040211815 /nfs/dbraw/zinc/21/18/15/1040211815.db2.gz BJCRHKHCSVVRSR-UHFFFAOYSA-N 3 2 347.591 4.028 20 0 EIADLP CC(C)c1cccc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000479398884 1040315516 /nfs/dbraw/zinc/31/55/16/1040315516.db2.gz ZQQQGDKZMBMELE-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP CC(C)c1cccc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000479398884 1040315525 /nfs/dbraw/zinc/31/55/25/1040315525.db2.gz ZQQQGDKZMBMELE-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP Cc1ccc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)[nH]c2c1 ZINC000668075154 1040357160 /nfs/dbraw/zinc/35/71/60/1040357160.db2.gz KXRHLYGPEDMTRQ-UHFFFAOYSA-N 2 2 335.451 4.223 20 0 EIADLP Cc1ccccc1C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000551540797 1040378651 /nfs/dbraw/zinc/37/86/51/1040378651.db2.gz QSXCPBSRLSRIBS-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000551528298 1040384621 /nfs/dbraw/zinc/38/46/21/1040384621.db2.gz LOIDUKWNVMYTMI-NPFVIJTESA-N 2 2 347.462 4.163 20 0 EIADLP Brc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)cc1 ZINC000539451760 1040453472 /nfs/dbraw/zinc/45/34/72/1040453472.db2.gz WEEDOVNAIAMYBX-UHFFFAOYSA-N 2 2 348.288 4.095 20 0 EIADLP Fc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000435737103 1040591718 /nfs/dbraw/zinc/59/17/18/1040591718.db2.gz DNWADNAYVNHIAS-KOMQPUFPSA-N 2 2 327.428 4.109 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804547 1040597793 /nfs/dbraw/zinc/59/77/93/1040597793.db2.gz ACJGZUKLRWGTQC-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804547 1040597809 /nfs/dbraw/zinc/59/78/09/1040597809.db2.gz ACJGZUKLRWGTQC-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804547 1040597817 /nfs/dbraw/zinc/59/78/17/1040597817.db2.gz ACJGZUKLRWGTQC-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551804547 1040597826 /nfs/dbraw/zinc/59/78/26/1040597826.db2.gz ACJGZUKLRWGTQC-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539654432 1040646922 /nfs/dbraw/zinc/64/69/22/1040646922.db2.gz IBAUNCBGIKHPOF-IEBWSBKVSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539654432 1040646927 /nfs/dbraw/zinc/64/69/27/1040646927.db2.gz IBAUNCBGIKHPOF-IEBWSBKVSA-N 2 2 338.470 4.458 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483154074 1040742516 /nfs/dbraw/zinc/74/25/16/1040742516.db2.gz MPBRSQQWNVEKAX-UHFFFAOYSA-N 2 2 334.410 4.141 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483154074 1040742534 /nfs/dbraw/zinc/74/25/34/1040742534.db2.gz MPBRSQQWNVEKAX-UHFFFAOYSA-N 2 2 334.410 4.141 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817863 1040813005 /nfs/dbraw/zinc/81/30/05/1040813005.db2.gz UKJVMBMRDHIVBV-IEBWSBKVSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817863 1040813009 /nfs/dbraw/zinc/81/30/09/1040813009.db2.gz UKJVMBMRDHIVBV-IEBWSBKVSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817863 1040813014 /nfs/dbraw/zinc/81/30/14/1040813014.db2.gz UKJVMBMRDHIVBV-IEBWSBKVSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817863 1040813018 /nfs/dbraw/zinc/81/30/18/1040813018.db2.gz UKJVMBMRDHIVBV-IEBWSBKVSA-N 2 2 330.516 4.313 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000539837883 1040817327 /nfs/dbraw/zinc/81/73/27/1040817327.db2.gz BGUHBGKJHWQDPD-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000539837883 1040817336 /nfs/dbraw/zinc/81/73/36/1040817336.db2.gz BGUHBGKJHWQDPD-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837883 1040817342 /nfs/dbraw/zinc/81/73/42/1040817342.db2.gz BGUHBGKJHWQDPD-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837883 1040817348 /nfs/dbraw/zinc/81/73/48/1040817348.db2.gz BGUHBGKJHWQDPD-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000436054031 1040857613 /nfs/dbraw/zinc/85/76/13/1040857613.db2.gz PBUSANDYLHZGNS-HUUCEWRRSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000436054031 1040857619 /nfs/dbraw/zinc/85/76/19/1040857619.db2.gz PBUSANDYLHZGNS-HUUCEWRRSA-N 2 2 349.931 4.278 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000537949040 1040915833 /nfs/dbraw/zinc/91/58/33/1040915833.db2.gz PSENQIJAKPRGKC-JKSUJKDBSA-N 2 2 329.532 4.267 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1F ZINC000483629647 1040921752 /nfs/dbraw/zinc/92/17/52/1040921752.db2.gz VQEQXRYFACTKCJ-HOTGVXAUSA-N 2 2 339.414 4.130 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000462783368 1040922416 /nfs/dbraw/zinc/92/24/16/1040922416.db2.gz NJYQBCKCGJKAQU-GXRSIYKFSA-N 2 2 344.543 4.254 20 0 EIADLP Fc1ccc(C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000480085508 1040923531 /nfs/dbraw/zinc/92/35/31/1040923531.db2.gz LVTJLNILGRDWJK-IBGZPJMESA-N 2 2 343.833 4.249 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCCC)c1 ZINC000483717596 1040973054 /nfs/dbraw/zinc/97/30/54/1040973054.db2.gz XUGYFHSQBQDULL-FGTMMUONSA-N 2 2 348.531 4.398 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCC)c1 ZINC000483717596 1040973081 /nfs/dbraw/zinc/97/30/81/1040973081.db2.gz XUGYFHSQBQDULL-FGTMMUONSA-N 2 2 348.531 4.398 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483714037 1040982699 /nfs/dbraw/zinc/98/26/99/1040982699.db2.gz NNGJJDJMGOZXBT-VKJFTORMSA-N 2 2 343.540 4.176 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483714037 1040982720 /nfs/dbraw/zinc/98/27/20/1040982720.db2.gz NNGJJDJMGOZXBT-VKJFTORMSA-N 2 2 343.540 4.176 20 0 EIADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000927135849 1041004607 /nfs/dbraw/zinc/00/46/07/1041004607.db2.gz VZECBXMIXSWKSD-UHFFFAOYSA-N 2 2 335.536 4.314 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062195 1041033226 /nfs/dbraw/zinc/03/32/26/1041033226.db2.gz FXISDYJDKCVLEY-HUUCEWRRSA-N 2 2 348.922 4.142 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062195 1041033240 /nfs/dbraw/zinc/03/32/40/1041033240.db2.gz FXISDYJDKCVLEY-HUUCEWRRSA-N 2 2 348.922 4.142 20 0 EIADLP CC1(c2ccccc2)CC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000436469052 1041267985 /nfs/dbraw/zinc/26/79/85/1041267985.db2.gz SUKFBMLVUAWTSC-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CC(C(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000436471866 1041269218 /nfs/dbraw/zinc/26/92/18/1041269218.db2.gz WLYHQGFPTVYJMV-QHGAOEGBSA-N 2 2 344.543 4.301 20 0 EIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925009115 1041319758 /nfs/dbraw/zinc/31/97/58/1041319758.db2.gz ABJBCLNTUXPILO-ZDUSSCGKSA-N 2 2 346.359 4.114 20 0 EIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009115 1041319769 /nfs/dbraw/zinc/31/97/69/1041319769.db2.gz ABJBCLNTUXPILO-ZDUSSCGKSA-N 2 2 346.359 4.114 20 0 EIADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000540262681 1041327912 /nfs/dbraw/zinc/32/79/12/1041327912.db2.gz FFWYRQNNEHKVLE-LJQANCHMSA-N 2 2 331.891 4.402 20 0 EIADLP CC1(C)C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000480532076 1041368846 /nfs/dbraw/zinc/36/88/46/1041368846.db2.gz WHOOGRVCKAANIH-NRFANRHFSA-N 2 2 345.490 4.486 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720454 1041490355 /nfs/dbraw/zinc/49/03/55/1041490355.db2.gz ZUOKHHBUDKNIRF-DZGCQCFKSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720454 1041490363 /nfs/dbraw/zinc/49/03/63/1041490363.db2.gz ZUOKHHBUDKNIRF-DZGCQCFKSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720454 1041490370 /nfs/dbraw/zinc/49/03/70/1041490370.db2.gz ZUOKHHBUDKNIRF-DZGCQCFKSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720454 1041490376 /nfs/dbraw/zinc/49/03/76/1041490376.db2.gz ZUOKHHBUDKNIRF-DZGCQCFKSA-N 2 2 335.542 4.176 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540753500 1041642090 /nfs/dbraw/zinc/64/20/90/1041642090.db2.gz PSAYINFVZVXMRW-LAUBAEHRSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540753500 1041642101 /nfs/dbraw/zinc/64/21/01/1041642101.db2.gz PSAYINFVZVXMRW-LAUBAEHRSA-N 2 2 338.470 4.458 20 0 EIADLP CC(C)=CCC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540789251 1041674291 /nfs/dbraw/zinc/67/42/91/1041674291.db2.gz TXYDPDHTTBEEJX-KRWDZBQOSA-N 2 2 330.520 4.159 20 0 EIADLP C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000541080875 1041809682 /nfs/dbraw/zinc/80/96/82/1041809682.db2.gz KYUGIWYJUBSFRH-OAHLLOKOSA-N 2 2 341.842 4.255 20 0 EIADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203089 1041843616 /nfs/dbraw/zinc/84/36/16/1041843616.db2.gz PWDWPOKNVUCLQP-MRXNPFEDSA-N 2 2 338.455 4.278 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000464078213 1041856863 /nfs/dbraw/zinc/85/68/63/1041856863.db2.gz QQECBTATNQOABC-MJUUVYJYSA-N 2 2 344.543 4.301 20 0 EIADLP CC[N@H+](C[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807512 1042180331 /nfs/dbraw/zinc/18/03/31/1042180331.db2.gz TYGMRVPWAMECDG-IBGZPJMESA-N 2 2 337.511 4.424 20 0 EIADLP CC[N@@H+](C[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807512 1042180334 /nfs/dbraw/zinc/18/03/34/1042180334.db2.gz TYGMRVPWAMECDG-IBGZPJMESA-N 2 2 337.511 4.424 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831843 1042189087 /nfs/dbraw/zinc/18/90/87/1042189087.db2.gz KTHGZARDOMNOJZ-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831843 1042189090 /nfs/dbraw/zinc/18/90/90/1042189090.db2.gz KTHGZARDOMNOJZ-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831843 1042189093 /nfs/dbraw/zinc/18/90/93/1042189093.db2.gz KTHGZARDOMNOJZ-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831843 1042189095 /nfs/dbraw/zinc/18/90/95/1042189095.db2.gz KTHGZARDOMNOJZ-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831844 1042189299 /nfs/dbraw/zinc/18/92/99/1042189299.db2.gz KTHGZARDOMNOJZ-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831844 1042189303 /nfs/dbraw/zinc/18/93/03/1042189303.db2.gz KTHGZARDOMNOJZ-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831844 1042189309 /nfs/dbraw/zinc/18/93/09/1042189309.db2.gz KTHGZARDOMNOJZ-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831844 1042189312 /nfs/dbraw/zinc/18/93/12/1042189312.db2.gz KTHGZARDOMNOJZ-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2[nH+]1 ZINC000542119458 1042298964 /nfs/dbraw/zinc/29/89/64/1042298964.db2.gz CQGQXQPVYLHRIG-UHFFFAOYSA-N 2 2 334.467 4.437 20 0 EIADLP COc1ccccc1CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132561 1042304016 /nfs/dbraw/zinc/30/40/16/1042304016.db2.gz DGBQDPJRBZGQSM-UHFFFAOYSA-N 2 2 341.499 4.017 20 0 EIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)Cc1ccsc1 ZINC000542167119 1042312670 /nfs/dbraw/zinc/31/26/70/1042312670.db2.gz IXXIXOOUYGWQDO-QGZVFWFLSA-N 2 2 343.540 4.313 20 0 EIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)Cc1ccsc1 ZINC000542167119 1042312674 /nfs/dbraw/zinc/31/26/74/1042312674.db2.gz IXXIXOOUYGWQDO-QGZVFWFLSA-N 2 2 343.540 4.313 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000509547416 1042359719 /nfs/dbraw/zinc/35/97/19/1042359719.db2.gz YNJIJSWAAZVKCZ-LDADJPATSA-N 2 2 347.462 4.212 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CC2 ZINC000542258152 1042361653 /nfs/dbraw/zinc/36/16/53/1042361653.db2.gz JKFICAODBSNBEV-GOSISDBHSA-N 2 2 327.859 4.299 20 0 EIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000518770590 1042684865 /nfs/dbraw/zinc/68/48/65/1042684865.db2.gz UWRNNKBKIFCRGJ-UHFFFAOYSA-N 2 2 326.484 4.086 20 0 EIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000518770590 1042684867 /nfs/dbraw/zinc/68/48/67/1042684867.db2.gz UWRNNKBKIFCRGJ-UHFFFAOYSA-N 2 2 326.484 4.086 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CSc1ccccc1)C(C)C)CCC2 ZINC000493033178 1042796763 /nfs/dbraw/zinc/79/67/63/1042796763.db2.gz CLOWIHZRWHECTH-IEBWSBKVSA-N 2 2 343.540 4.475 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CSc1ccccc1)C(C)C)CCC2 ZINC000493033180 1042796935 /nfs/dbraw/zinc/79/69/35/1042796935.db2.gz CLOWIHZRWHECTH-PKOBYXMFSA-N 2 2 343.540 4.475 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168449576 1042866748 /nfs/dbraw/zinc/86/67/48/1042866748.db2.gz WYZZREOJWMZJCY-NRFANRHFSA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168449576 1042866750 /nfs/dbraw/zinc/86/67/50/1042866750.db2.gz WYZZREOJWMZJCY-NRFANRHFSA-N 2 2 330.491 4.022 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367851 1042901030 /nfs/dbraw/zinc/90/10/30/1042901030.db2.gz WBMFYIWTMYBVTO-FUHWJXTLSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367851 1042901031 /nfs/dbraw/zinc/90/10/31/1042901031.db2.gz WBMFYIWTMYBVTO-FUHWJXTLSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000493367851 1042901032 /nfs/dbraw/zinc/90/10/32/1042901032.db2.gz WBMFYIWTMYBVTO-FUHWJXTLSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000493367851 1042901034 /nfs/dbraw/zinc/90/10/34/1042901034.db2.gz WBMFYIWTMYBVTO-FUHWJXTLSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCCCCC2)CCOCC1)c1ccccc1 ZINC000152393554 1042964929 /nfs/dbraw/zinc/96/49/29/1042964929.db2.gz GPZFHGURKDMGBY-GOSISDBHSA-N 2 2 330.516 4.199 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cnc(Cl)s2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006737 1043005605 /nfs/dbraw/zinc/00/56/05/1043005605.db2.gz OOPZDUQOXPGUFB-ZIAGYGMSSA-N 2 2 349.931 4.328 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576637 1043108439 /nfs/dbraw/zinc/10/84/39/1043108439.db2.gz VUGIKXOHIXCTIJ-NQIIRXRSSA-N 2 2 327.516 4.162 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576637 1043108466 /nfs/dbraw/zinc/10/84/66/1043108466.db2.gz VUGIKXOHIXCTIJ-NQIIRXRSSA-N 2 2 327.516 4.162 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000507970179 1043212173 /nfs/dbraw/zinc/21/21/73/1043212173.db2.gz ZSCABZPBWHOSFY-HSALFYBXSA-N 2 2 344.543 4.302 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000427844371 1043224810 /nfs/dbraw/zinc/22/48/10/1043224810.db2.gz CHIRQUGYECVTSL-WIYYLYMNSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000427844371 1043224824 /nfs/dbraw/zinc/22/48/24/1043224824.db2.gz CHIRQUGYECVTSL-WIYYLYMNSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000427865468 1043238577 /nfs/dbraw/zinc/23/85/77/1043238577.db2.gz HZPBJMLDIBAUDQ-OAQYLSRUSA-N 2 2 335.495 4.451 20 0 EIADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1cccs1 ZINC000665258640 1043360060 /nfs/dbraw/zinc/36/00/60/1043360060.db2.gz HEETYWYOVKCAKE-HYVNUMGLSA-N 2 2 348.487 4.082 20 0 EIADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1ccsc1 ZINC000665259507 1043383407 /nfs/dbraw/zinc/38/34/07/1043383407.db2.gz HSLIJYROLJMBQO-BPQIPLTHSA-N 2 2 348.487 4.082 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cccc(F)c2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012607 1043444635 /nfs/dbraw/zinc/44/46/35/1043444635.db2.gz CVZOPQYSLYSQPL-HZPDHXFCSA-N 2 2 344.449 4.496 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(Sc3ccccc3)cc1)CC2 ZINC000494430675 1043476445 /nfs/dbraw/zinc/47/64/45/1043476445.db2.gz NCYQNRDFEWVNAK-KRWDZBQOSA-N 2 2 335.476 4.139 20 0 EIADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000674233766 1043496612 /nfs/dbraw/zinc/49/66/12/1043496612.db2.gz QUSXJNCRXILHBT-HNNXBMFYSA-N 2 2 337.389 4.241 20 0 EIADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000674233766 1043496623 /nfs/dbraw/zinc/49/66/23/1043496623.db2.gz QUSXJNCRXILHBT-HNNXBMFYSA-N 2 2 337.389 4.241 20 0 EIADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000674233769 1043497833 /nfs/dbraw/zinc/49/78/33/1043497833.db2.gz QUSXJNCRXILHBT-OAHLLOKOSA-N 2 2 337.389 4.241 20 0 EIADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000674233769 1043497842 /nfs/dbraw/zinc/49/78/42/1043497842.db2.gz QUSXJNCRXILHBT-OAHLLOKOSA-N 2 2 337.389 4.241 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000442633448 1043773232 /nfs/dbraw/zinc/77/32/32/1043773232.db2.gz JISQLTRJJBHLCN-NVXWUHKLSA-N 2 2 326.406 4.027 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000192106244 1043874126 /nfs/dbraw/zinc/87/41/26/1043874126.db2.gz MUHZWCKFSYIOQE-FQEVSTJZSA-N 2 2 334.467 4.371 20 0 EIADLP CCC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000443099660 1044029670 /nfs/dbraw/zinc/02/96/70/1044029670.db2.gz BIZOUDQIDGFRMM-ZWKOTPCHSA-N 2 2 344.528 4.237 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000443191523 1044076937 /nfs/dbraw/zinc/07/69/37/1044076937.db2.gz GNEHNCDPBMYALT-MDYRTPRTSA-N 2 2 346.490 4.282 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168018850 1044335907 /nfs/dbraw/zinc/33/59/07/1044335907.db2.gz FUNXSTFNPBQHMD-FHWLQOOXSA-N 2 2 337.511 4.482 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1ccccc1 ZINC000474066006 1044338017 /nfs/dbraw/zinc/33/80/17/1044338017.db2.gz NOERLUZRCQTANF-ZIBCJSCZSA-N 2 2 344.543 4.301 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000348008046 1044361370 /nfs/dbraw/zinc/36/13/70/1044361370.db2.gz OESZMOOTNXPZQK-JXFKEZNVSA-N 3 2 342.531 4.198 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000675739097 1044456153 /nfs/dbraw/zinc/45/61/53/1044456153.db2.gz GCGNEYYNFYYOEG-HNNXBMFYSA-N 2 2 337.492 4.332 20 0 EIADLP Fc1ccc([C@@H](CCCc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000494916305 1044512298 /nfs/dbraw/zinc/51/22/98/1044512298.db2.gz IABQTVVEMNDOIT-OAQYLSRUSA-N 2 2 337.442 4.376 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919789 1044560450 /nfs/dbraw/zinc/56/04/50/1044560450.db2.gz JEOKUTNAGNHKDN-DOTOQJQBSA-N 2 2 325.481 4.425 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OC)c1 ZINC000675919890 1044560976 /nfs/dbraw/zinc/56/09/76/1044560976.db2.gz JKKWRZJRFQKKBP-NHCUHLMSSA-N 2 2 349.478 4.453 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675924124 1044566058 /nfs/dbraw/zinc/56/60/58/1044566058.db2.gz WATFWOWWVHHRRI-RTWAWAEBSA-N 2 2 331.463 4.289 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2noc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025336 1044657525 /nfs/dbraw/zinc/65/75/25/1044657525.db2.gz JQMCEFRNMRYATC-IAGOWNOFSA-N 2 2 349.478 4.359 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000428882226 1044813481 /nfs/dbraw/zinc/81/34/81/1044813481.db2.gz RKIFUEYQARTOKS-UHFFFAOYSA-N 2 2 343.471 4.047 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000428882226 1044813482 /nfs/dbraw/zinc/81/34/82/1044813482.db2.gz RKIFUEYQARTOKS-UHFFFAOYSA-N 2 2 343.471 4.047 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000115610794 1044963979 /nfs/dbraw/zinc/96/39/79/1044963979.db2.gz HLZIFMBCMQEVLN-UHFFFAOYSA-N 2 2 328.431 4.111 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000474479562 1045020620 /nfs/dbraw/zinc/02/06/20/1045020620.db2.gz YFBHHQZIWDXNKF-OAGGEKHMSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000474479562 1045020636 /nfs/dbraw/zinc/02/06/36/1045020636.db2.gz YFBHHQZIWDXNKF-OAGGEKHMSA-N 2 2 331.529 4.252 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174809 1045211974 /nfs/dbraw/zinc/21/19/74/1045211974.db2.gz FHUICHSOBNISOS-CEWLAPEOSA-N 2 2 336.479 4.244 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174809 1045211984 /nfs/dbraw/zinc/21/19/84/1045211984.db2.gz FHUICHSOBNISOS-CEWLAPEOSA-N 2 2 336.479 4.244 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccsc3Cl)CC2)cc1 ZINC000790971940 1045658676 /nfs/dbraw/zinc/65/86/76/1045658676.db2.gz AXGIEERTKBXHPB-UHFFFAOYSA-N 2 2 349.931 4.226 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000249069028 1045892610 /nfs/dbraw/zinc/89/26/10/1045892610.db2.gz JEZGFIGTDDIMRV-UXPWSPDFSA-N 2 2 343.540 4.485 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000249069028 1045892613 /nfs/dbraw/zinc/89/26/13/1045892613.db2.gz JEZGFIGTDDIMRV-UXPWSPDFSA-N 2 2 343.540 4.485 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000125270324 1046297284 /nfs/dbraw/zinc/29/72/84/1046297284.db2.gz MWNBSYCXMLIGHF-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000125270324 1046297306 /nfs/dbraw/zinc/29/73/06/1046297306.db2.gz MWNBSYCXMLIGHF-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP Cc1cc(C(F)(F)F)cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]1 ZINC001170448386 1046449623 /nfs/dbraw/zinc/44/96/23/1046449623.db2.gz XGTOUBPQPWWWSE-UHFFFAOYSA-N 2 2 329.410 4.472 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000459418305 1046642170 /nfs/dbraw/zinc/64/21/70/1046642170.db2.gz ZSJDYKPRIAUGMC-KRWDZBQOSA-N 2 2 337.389 4.209 20 0 EIADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459417061 1046643940 /nfs/dbraw/zinc/64/39/40/1046643940.db2.gz ROSRLGQQWDKYFY-VSDWSMLSSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459417061 1046643955 /nfs/dbraw/zinc/64/39/55/1046643955.db2.gz ROSRLGQQWDKYFY-VSDWSMLSSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459417061 1046643962 /nfs/dbraw/zinc/64/39/62/1046643962.db2.gz ROSRLGQQWDKYFY-VSDWSMLSSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459417061 1046643968 /nfs/dbraw/zinc/64/39/68/1046643968.db2.gz ROSRLGQQWDKYFY-VSDWSMLSSA-N 2 2 349.522 4.256 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677826 1046665066 /nfs/dbraw/zinc/66/50/66/1046665066.db2.gz MDEYLBSEHWWCDG-QGZVFWFLSA-N 2 2 329.513 4.116 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677826 1046665077 /nfs/dbraw/zinc/66/50/77/1046665077.db2.gz MDEYLBSEHWWCDG-QGZVFWFLSA-N 2 2 329.513 4.116 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677826 1046665091 /nfs/dbraw/zinc/66/50/91/1046665091.db2.gz MDEYLBSEHWWCDG-QGZVFWFLSA-N 2 2 329.513 4.116 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677826 1046665102 /nfs/dbraw/zinc/66/51/02/1046665102.db2.gz MDEYLBSEHWWCDG-QGZVFWFLSA-N 2 2 329.513 4.116 20 0 EIADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000459440043 1046671669 /nfs/dbraw/zinc/67/16/69/1046671669.db2.gz WOWVTWHPMOAPIM-MRXNPFEDSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCC(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000459440043 1046671690 /nfs/dbraw/zinc/67/16/90/1046671690.db2.gz WOWVTWHPMOAPIM-MRXNPFEDSA-N 2 2 337.458 4.224 20 0 EIADLP C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000785569961 1046720257 /nfs/dbraw/zinc/72/02/57/1046720257.db2.gz LZFWODSJUIFTOC-ZWKOTPCHSA-N 2 2 329.532 4.280 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC000379631645 1046731756 /nfs/dbraw/zinc/73/17/56/1046731756.db2.gz RQNAXJMCCLRDPN-VDGAXYAQSA-N 2 2 341.474 4.315 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC000379631645 1046731763 /nfs/dbraw/zinc/73/17/63/1046731763.db2.gz RQNAXJMCCLRDPN-VDGAXYAQSA-N 2 2 341.474 4.315 20 0 EIADLP CC(C)(C)C1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000459534110 1046762209 /nfs/dbraw/zinc/76/22/09/1046762209.db2.gz ULSFGKZFGMOPLH-UHFFFAOYSA-N 2 2 332.454 4.206 20 0 EIADLP COc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000537000138 1046891043 /nfs/dbraw/zinc/89/10/43/1046891043.db2.gz PVDGJCHVTNZPAK-HXUWFJFHSA-N 2 2 327.472 4.269 20 0 EIADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000537254094 1047060564 /nfs/dbraw/zinc/06/05/64/1047060564.db2.gz KIMDJGWUFMHYII-PBHICJAKSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000537254094 1047060588 /nfs/dbraw/zinc/06/05/88/1047060588.db2.gz KIMDJGWUFMHYII-PBHICJAKSA-N 2 2 337.389 4.375 20 0 EIADLP CC(C)CCC[C@@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170079667 1047068514 /nfs/dbraw/zinc/06/85/14/1047068514.db2.gz GBVNQYQVJMMVPR-MOPGFXCFSA-N 2 2 345.531 4.014 20 0 EIADLP CC(C)[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000497839426 1047115688 /nfs/dbraw/zinc/11/56/88/1047115688.db2.gz IAVHUYQDSLODQW-FQEVSTJZSA-N 2 2 329.463 4.030 20 0 EIADLP CC(C)[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000497839426 1047115693 /nfs/dbraw/zinc/11/56/93/1047115693.db2.gz IAVHUYQDSLODQW-FQEVSTJZSA-N 2 2 329.463 4.030 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001170084669 1047186957 /nfs/dbraw/zinc/18/69/57/1047186957.db2.gz YWYXSAMBTSPQTF-IBGZPJMESA-N 2 2 346.563 4.065 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001170084669 1047186949 /nfs/dbraw/zinc/18/69/49/1047186949.db2.gz YWYXSAMBTSPQTF-IBGZPJMESA-N 2 2 346.563 4.065 20 0 EIADLP CCC(CC)(C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[NH2+][C@H](C)c1ccccc1 ZINC000788602990 1047244426 /nfs/dbraw/zinc/24/44/26/1047244426.db2.gz QCKZDPTVTVDCBY-DLBZAZTESA-N 2 2 341.499 4.347 20 0 EIADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C)cc1 ZINC000537455977 1047246894 /nfs/dbraw/zinc/24/68/94/1047246894.db2.gz OFJXZNKTJGVSJK-WOJBJXKFSA-N 2 2 338.499 4.094 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000788623505 1047253744 /nfs/dbraw/zinc/25/37/44/1047253744.db2.gz WUCZQWWMLGXEPR-WTOYTKOKSA-N 2 2 349.478 4.281 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170098793 1047377363 /nfs/dbraw/zinc/37/73/63/1047377363.db2.gz XEFCSEDCIBETIM-RDTXWAMCSA-N 2 2 340.433 4.448 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170103868 1047406122 /nfs/dbraw/zinc/40/61/22/1047406122.db2.gz HQNQNIXAJYYNEL-PGRDOPGGSA-N 2 2 334.507 4.486 20 0 EIADLP Clc1ccc2sc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2n1 ZINC000897982939 1047527586 /nfs/dbraw/zinc/52/75/86/1047527586.db2.gz RZYOJVOTAYYYRX-UHFFFAOYSA-N 2 2 335.904 4.056 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000130205524 1047650979 /nfs/dbraw/zinc/65/09/79/1047650979.db2.gz VBBVXXFOJBCGQL-SDDRHHMPSA-N 2 2 331.262 4.410 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000130205524 1047650982 /nfs/dbraw/zinc/65/09/82/1047650982.db2.gz VBBVXXFOJBCGQL-SDDRHHMPSA-N 2 2 331.262 4.410 20 0 EIADLP FC(F)(F)C1CCC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000546735583 1047674548 /nfs/dbraw/zinc/67/45/48/1047674548.db2.gz BJSJBVXFZBMONW-UHFFFAOYSA-N 2 2 341.421 4.327 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000130453921 1047710181 /nfs/dbraw/zinc/71/01/81/1047710181.db2.gz ZDNLAJMFMULPFZ-VXKWHMMOSA-N 2 2 331.463 4.357 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3cccc(F)c23)C2CCCC2)CC1 ZINC001136988913 1048025439 /nfs/dbraw/zinc/02/54/39/1048025439.db2.gz ZNQUFXMFGHTYRX-UHFFFAOYSA-N 2 2 329.463 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3cccc(F)c23)C2CCCC2)CC1 ZINC001136988913 1048025452 /nfs/dbraw/zinc/02/54/52/1048025452.db2.gz ZNQUFXMFGHTYRX-UHFFFAOYSA-N 2 2 329.463 4.146 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719175 1048061542 /nfs/dbraw/zinc/06/15/42/1048061542.db2.gz BWXZHPBGEMOOLZ-QGZVFWFLSA-N 2 2 341.524 4.118 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719175 1048061560 /nfs/dbraw/zinc/06/15/60/1048061560.db2.gz BWXZHPBGEMOOLZ-QGZVFWFLSA-N 2 2 341.524 4.118 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Sc2ccccn2)o1 ZINC000556867781 1048073047 /nfs/dbraw/zinc/07/30/47/1048073047.db2.gz YQNLKJAXPOOXKR-UHFFFAOYSA-N 2 2 345.512 4.134 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Sc2ccccn2)o1 ZINC000556867781 1048073063 /nfs/dbraw/zinc/07/30/63/1048073063.db2.gz YQNLKJAXPOOXKR-UHFFFAOYSA-N 2 2 345.512 4.134 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171086061 1048080655 /nfs/dbraw/zinc/08/06/55/1048080655.db2.gz IRHXOKZOCHZRSH-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171086061 1048080670 /nfs/dbraw/zinc/08/06/70/1048080670.db2.gz IRHXOKZOCHZRSH-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170765054 1048167283 /nfs/dbraw/zinc/16/72/83/1048167283.db2.gz AFPPIFXDDMOICD-OWZKRDHZSA-N 2 2 330.491 4.157 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170765054 1048167292 /nfs/dbraw/zinc/16/72/92/1048167292.db2.gz AFPPIFXDDMOICD-OWZKRDHZSA-N 2 2 330.491 4.157 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000132130127 1048209742 /nfs/dbraw/zinc/20/97/42/1048209742.db2.gz ZVDAFIREIVYXLO-LJQANCHMSA-N 2 2 347.506 4.430 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000132136396 1048210395 /nfs/dbraw/zinc/21/03/95/1048210395.db2.gz RFJGDBBDGRLDJW-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1C ZINC000132169646 1048215524 /nfs/dbraw/zinc/21/55/24/1048215524.db2.gz KPJJKCPXJAZAKI-LJQANCHMSA-N 2 2 333.479 4.442 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccs1 ZINC000132173649 1048215965 /nfs/dbraw/zinc/21/59/65/1048215965.db2.gz RZAAKSAJGKGSLR-QGZVFWFLSA-N 2 2 325.481 4.276 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000132247901 1048236500 /nfs/dbraw/zinc/23/65/00/1048236500.db2.gz NXOFHVLVKZKFMZ-LJQANCHMSA-N 2 2 333.479 4.442 20 0 EIADLP Clc1ccc2c(c1)CC[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171116973 1048284876 /nfs/dbraw/zinc/28/48/76/1048284876.db2.gz ULXWEFWKTVMVBJ-GOSISDBHSA-N 2 2 342.870 4.136 20 0 EIADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558462 1048413323 /nfs/dbraw/zinc/41/33/23/1048413323.db2.gz OQJKBSVDMXULII-MOPGFXCFSA-N 2 2 343.540 4.363 20 0 EIADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558462 1048413330 /nfs/dbraw/zinc/41/33/30/1048413330.db2.gz OQJKBSVDMXULII-MOPGFXCFSA-N 2 2 343.540 4.363 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)co2)cc1 ZINC000809737609 1048507051 /nfs/dbraw/zinc/50/70/51/1048507051.db2.gz IDHWSPYXDFARFS-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)co2)cc1 ZINC000809737609 1048507067 /nfs/dbraw/zinc/50/70/67/1048507067.db2.gz IDHWSPYXDFARFS-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP COc1c(C)cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000920177583 1048574630 /nfs/dbraw/zinc/57/46/30/1048574630.db2.gz LEDLLQOUQOWMNR-NRFANRHFSA-N 2 2 338.495 4.239 20 0 EIADLP c1cc2cccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2[nH]1 ZINC000282744799 1049439711 /nfs/dbraw/zinc/43/97/11/1049439711.db2.gz NMPYADGSTFJFCV-SFHVURJKSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2cccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2[nH]1 ZINC000282744799 1049439732 /nfs/dbraw/zinc/43/97/32/1049439732.db2.gz NMPYADGSTFJFCV-SFHVURJKSA-N 2 2 334.467 4.080 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccoc1 ZINC000820806405 1049551129 /nfs/dbraw/zinc/55/11/29/1049551129.db2.gz HTFNCDJLOOBUKC-FQEVSTJZSA-N 2 2 344.886 4.433 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382526 1049581123 /nfs/dbraw/zinc/58/11/23/1049581123.db2.gz KJBFMHRIYXZFPF-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382526 1049581137 /nfs/dbraw/zinc/58/11/37/1049581137.db2.gz KJBFMHRIYXZFPF-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171565380 1049758032 /nfs/dbraw/zinc/75/80/32/1049758032.db2.gz OITPFPGPEFHKCQ-QHCPKHFHSA-N 2 2 348.534 4.449 20 0 EIADLP Cc1cccc2c1CC[C@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171565380 1049758041 /nfs/dbraw/zinc/75/80/41/1049758041.db2.gz OITPFPGPEFHKCQ-QHCPKHFHSA-N 2 2 348.534 4.449 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000245569193 1049782964 /nfs/dbraw/zinc/78/29/64/1049782964.db2.gz GDZWZSQJDGLODY-NVXWUHKLSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000245569193 1049782968 /nfs/dbraw/zinc/78/29/68/1049782968.db2.gz GDZWZSQJDGLODY-NVXWUHKLSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000324813085 1049804448 /nfs/dbraw/zinc/80/44/48/1049804448.db2.gz DLIDRYROJQUBOQ-XJKSGUPXSA-N 2 2 337.414 4.250 20 0 EIADLP CCC1(CC)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001171954307 1049821848 /nfs/dbraw/zinc/82/18/48/1049821848.db2.gz HXEDSGYSFAJDHX-NRFANRHFSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001171954307 1049821851 /nfs/dbraw/zinc/82/18/51/1049821851.db2.gz HXEDSGYSFAJDHX-NRFANRHFSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001171954307 1049821852 /nfs/dbraw/zinc/82/18/52/1049821852.db2.gz HXEDSGYSFAJDHX-NRFANRHFSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001171954307 1049821857 /nfs/dbraw/zinc/82/18/57/1049821857.db2.gz HXEDSGYSFAJDHX-NRFANRHFSA-N 2 2 344.543 4.180 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962618 1049825347 /nfs/dbraw/zinc/82/53/47/1049825347.db2.gz CGXCOJPUNHNCOU-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962618 1049825350 /nfs/dbraw/zinc/82/53/50/1049825350.db2.gz CGXCOJPUNHNCOU-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171964451 1049825694 /nfs/dbraw/zinc/82/56/94/1049825694.db2.gz LKKLGSKVNJQMFK-IBGZPJMESA-N 2 2 326.459 4.359 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC001171964451 1049825697 /nfs/dbraw/zinc/82/56/97/1049825697.db2.gz LKKLGSKVNJQMFK-IBGZPJMESA-N 2 2 326.459 4.359 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC001171971465 1049835181 /nfs/dbraw/zinc/83/51/81/1049835181.db2.gz IMDCZAJEKQJYST-PMACEKPBSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC001171971465 1049835187 /nfs/dbraw/zinc/83/51/87/1049835187.db2.gz IMDCZAJEKQJYST-PMACEKPBSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2COc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171974110 1049836422 /nfs/dbraw/zinc/83/64/22/1049836422.db2.gz AJXZDAAYTDASRF-AZUAARDMSA-N 2 2 336.479 4.153 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2COc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974110 1049836426 /nfs/dbraw/zinc/83/64/26/1049836426.db2.gz AJXZDAAYTDASRF-AZUAARDMSA-N 2 2 336.479 4.153 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001171973496 1049836438 /nfs/dbraw/zinc/83/64/38/1049836438.db2.gz JOYOUMCWPSLWIA-AWEZNQCLSA-N 2 2 337.389 4.170 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172082885 1049847589 /nfs/dbraw/zinc/84/75/89/1049847589.db2.gz NAZSVDZTYCPTFQ-JKHIJQBDSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172082885 1049847591 /nfs/dbraw/zinc/84/75/91/1049847591.db2.gz NAZSVDZTYCPTFQ-JKHIJQBDSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172082885 1049847594 /nfs/dbraw/zinc/84/75/94/1049847594.db2.gz NAZSVDZTYCPTFQ-JKHIJQBDSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172082885 1049847597 /nfs/dbraw/zinc/84/75/97/1049847597.db2.gz NAZSVDZTYCPTFQ-JKHIJQBDSA-N 2 2 347.506 4.291 20 0 EIADLP c1cn(-c2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)c[nH+]1 ZINC000823741801 1049871758 /nfs/dbraw/zinc/87/17/58/1049871758.db2.gz BTUZPAMUCSIRTQ-UHFFFAOYSA-N 2 2 339.483 4.232 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172556829 1049932646 /nfs/dbraw/zinc/93/26/46/1049932646.db2.gz NPRRAUXEPYWSON-XRXFAXGQSA-N 2 2 335.495 4.494 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172570591 1049939153 /nfs/dbraw/zinc/93/91/53/1049939153.db2.gz JSICHHWYOINNAS-GFCCVEGCSA-N 2 2 349.812 4.377 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172577097 1049950978 /nfs/dbraw/zinc/95/09/78/1049950978.db2.gz QZEACEFKNJXBIL-CHWSQXEVSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000247161612 1050016568 /nfs/dbraw/zinc/01/65/68/1050016568.db2.gz XUHMXRLUOFNMBL-IMFGXOCKSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000247161612 1050016578 /nfs/dbraw/zinc/01/65/78/1050016578.db2.gz XUHMXRLUOFNMBL-IMFGXOCKSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000248759278 1050077957 /nfs/dbraw/zinc/07/79/57/1050077957.db2.gz VUGIKXOHIXCTIJ-WIYYLYMNSA-N 2 2 327.516 4.162 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000248759278 1050077961 /nfs/dbraw/zinc/07/79/61/1050077961.db2.gz VUGIKXOHIXCTIJ-WIYYLYMNSA-N 2 2 327.516 4.162 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)CC2 ZINC001172837447 1050170951 /nfs/dbraw/zinc/17/09/51/1050170951.db2.gz GFGKLNMAMVADJD-QFIPXVFZSA-N 2 2 326.528 4.191 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)CC2 ZINC001172837447 1050170955 /nfs/dbraw/zinc/17/09/55/1050170955.db2.gz GFGKLNMAMVADJD-QFIPXVFZSA-N 2 2 326.528 4.191 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172870770 1050209924 /nfs/dbraw/zinc/20/99/24/1050209924.db2.gz DPYHPKLCUUAXAZ-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP CC[N@H+]([C@H](C)CSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001172880834 1050223863 /nfs/dbraw/zinc/22/38/63/1050223863.db2.gz YDFGAHUMOJCTMH-CQSZACIVSA-N 2 2 326.937 4.237 20 0 EIADLP CC[N@@H+]([C@H](C)CSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001172880834 1050223874 /nfs/dbraw/zinc/22/38/74/1050223874.db2.gz YDFGAHUMOJCTMH-CQSZACIVSA-N 2 2 326.937 4.237 20 0 EIADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091265550 1050245509 /nfs/dbraw/zinc/24/55/09/1050245509.db2.gz CRUQQQQTIXTHDK-LBPRGKRZSA-N 2 2 348.922 4.187 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001177655130 1050277510 /nfs/dbraw/zinc/27/75/10/1050277510.db2.gz BRSGOPZALILOHN-UHFFFAOYSA-N 2 2 337.389 4.168 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc2c(s1)CCCC2 ZINC000091732484 1050279184 /nfs/dbraw/zinc/27/91/84/1050279184.db2.gz NHVMKLSWDGQLSW-HNNXBMFYSA-N 2 2 347.572 4.470 20 0 EIADLP CC(C)[N@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173207614 1050368019 /nfs/dbraw/zinc/36/80/19/1050368019.db2.gz GVVQSQZZUSKGOU-UHFFFAOYSA-N 2 2 330.516 4.181 20 0 EIADLP CC(C)[N@@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173207614 1050368036 /nfs/dbraw/zinc/36/80/36/1050368036.db2.gz GVVQSQZZUSKGOU-UHFFFAOYSA-N 2 2 330.516 4.181 20 0 EIADLP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283945 1050410926 /nfs/dbraw/zinc/41/09/26/1050410926.db2.gz XVIVCRSJJOXHHU-HKUYNNGSSA-N 2 2 347.572 4.461 20 0 EIADLP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283945 1050410929 /nfs/dbraw/zinc/41/09/29/1050410929.db2.gz XVIVCRSJJOXHHU-HKUYNNGSSA-N 2 2 347.572 4.461 20 0 EIADLP CC(C)(C[N@@H+]1CCCC[C@](F)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206337665 1050520741 /nfs/dbraw/zinc/52/07/41/1050520741.db2.gz VEAVUEQQAIAQRI-KRWDZBQOSA-N 2 2 344.927 4.364 20 0 EIADLP CC(C)(C[N@H+]1CCCC[C@](F)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206337665 1050520768 /nfs/dbraw/zinc/52/07/68/1050520768.db2.gz VEAVUEQQAIAQRI-KRWDZBQOSA-N 2 2 344.927 4.364 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(CC(C)C)nc2)[nH+]1 ZINC001179937934 1050823362 /nfs/dbraw/zinc/82/33/62/1050823362.db2.gz QQBKOQLDMQTXIZ-FQEVSTJZSA-N 2 2 338.499 4.060 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(CC(C)C)nc2)[nH+]1 ZINC001179937934 1050823368 /nfs/dbraw/zinc/82/33/68/1050823368.db2.gz QQBKOQLDMQTXIZ-FQEVSTJZSA-N 2 2 338.499 4.060 20 0 EIADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)[nH]c2c1 ZINC001180030436 1050860113 /nfs/dbraw/zinc/86/01/13/1050860113.db2.gz LXRSATOPXHSOKI-LJQANCHMSA-N 2 2 339.527 4.420 20 0 EIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)[nH]c2c1 ZINC001180030436 1050860121 /nfs/dbraw/zinc/86/01/21/1050860121.db2.gz LXRSATOPXHSOKI-LJQANCHMSA-N 2 2 339.527 4.420 20 0 EIADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)[nH]c2c1 ZINC001180030430 1050861006 /nfs/dbraw/zinc/86/10/06/1050861006.db2.gz LXRSATOPXHSOKI-IBGZPJMESA-N 2 2 339.527 4.420 20 0 EIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)[nH]c2c1 ZINC001180030430 1050861011 /nfs/dbraw/zinc/86/10/11/1050861011.db2.gz LXRSATOPXHSOKI-IBGZPJMESA-N 2 2 339.527 4.420 20 0 EIADLP CC1(C)CC([NH2+]Cc2csc(-c3cccs3)n2)CC(C)(C)[NH2+]1 ZINC000070928265 1050954180 /nfs/dbraw/zinc/95/41/80/1050954180.db2.gz XGOCRPXXCJZTMI-UHFFFAOYSA-N 2 2 335.542 4.270 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC001180646555 1051055945 /nfs/dbraw/zinc/05/59/45/1051055945.db2.gz NLJIYCZCSAQQSC-JJZDCNPZSA-N 2 2 344.543 4.082 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180646555 1051055958 /nfs/dbraw/zinc/05/59/58/1051055958.db2.gz NLJIYCZCSAQQSC-JJZDCNPZSA-N 2 2 344.543 4.082 20 0 EIADLP COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190426670 1051181069 /nfs/dbraw/zinc/18/10/69/1051181069.db2.gz JGLQLUUKYSWTTF-OAQYLSRUSA-N 2 2 347.462 4.088 20 0 EIADLP COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190426670 1051181073 /nfs/dbraw/zinc/18/10/73/1051181073.db2.gz JGLQLUUKYSWTTF-OAQYLSRUSA-N 2 2 347.462 4.088 20 0 EIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436380 1051238056 /nfs/dbraw/zinc/23/80/56/1051238056.db2.gz QQDBZWKOGKLDIJ-PBHICJAKSA-N 2 2 342.449 4.346 20 0 EIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436380 1051238066 /nfs/dbraw/zinc/23/80/66/1051238066.db2.gz QQDBZWKOGKLDIJ-PBHICJAKSA-N 2 2 342.449 4.346 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000154076096 1051264845 /nfs/dbraw/zinc/26/48/45/1051264845.db2.gz ILXXIZRHDWMKNV-CABCVRRESA-N 2 2 339.414 4.432 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC001181913439 1051351230 /nfs/dbraw/zinc/35/12/30/1051351230.db2.gz PTHFEXRZLQOLHP-FCHUYYIVSA-N 2 2 334.507 4.434 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC001181913439 1051351236 /nfs/dbraw/zinc/35/12/36/1051351236.db2.gz PTHFEXRZLQOLHP-FCHUYYIVSA-N 2 2 334.507 4.434 20 0 EIADLP CC(C)CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495025 1051466102 /nfs/dbraw/zinc/46/61/02/1051466102.db2.gz FPDGBDFEECPWOZ-JOCHJYFZSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495025 1051466110 /nfs/dbraw/zinc/46/61/10/1051466110.db2.gz FPDGBDFEECPWOZ-JOCHJYFZSA-N 2 2 344.543 4.036 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000156230995 1051509412 /nfs/dbraw/zinc/50/94/12/1051509412.db2.gz BJWOZIARVCMPBU-CQSZACIVSA-N 2 2 345.874 4.063 20 0 EIADLP c1cn(C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001175670094 1051722367 /nfs/dbraw/zinc/72/23/67/1051722367.db2.gz XQGAHMKYRTUXOY-UGKGYDQZSA-N 2 2 331.463 4.334 20 0 EIADLP Fc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1Cl ZINC001175670096 1051723985 /nfs/dbraw/zinc/72/39/85/1051723985.db2.gz XRDHTQTVTYJSTF-SFHVURJKSA-N 2 2 329.806 4.207 20 0 EIADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238852 1051810134 /nfs/dbraw/zinc/81/01/34/1051810134.db2.gz QKKYXJHQKFFCQI-LPHOPBHVSA-N 2 2 325.500 4.096 20 0 EIADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238852 1051810137 /nfs/dbraw/zinc/81/01/37/1051810137.db2.gz QKKYXJHQKFFCQI-LPHOPBHVSA-N 2 2 325.500 4.096 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459835 1051926352 /nfs/dbraw/zinc/92/63/52/1051926352.db2.gz HKBJJGKSOAJSIZ-FSSWDIPSSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459835 1051926360 /nfs/dbraw/zinc/92/63/60/1051926360.db2.gz HKBJJGKSOAJSIZ-FSSWDIPSSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001193459835 1051926368 /nfs/dbraw/zinc/92/63/68/1051926368.db2.gz HKBJJGKSOAJSIZ-FSSWDIPSSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001193459835 1051926373 /nfs/dbraw/zinc/92/63/73/1051926373.db2.gz HKBJJGKSOAJSIZ-FSSWDIPSSA-N 2 2 344.543 4.178 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000159297198 1051971794 /nfs/dbraw/zinc/97/17/94/1051971794.db2.gz KBVPDLVLSDTUQP-MMOPVJDHSA-N 2 2 326.459 4.182 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC[N@H+]1C ZINC000159297198 1051971801 /nfs/dbraw/zinc/97/18/01/1051971801.db2.gz KBVPDLVLSDTUQP-MMOPVJDHSA-N 2 2 326.459 4.182 20 0 EIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(F)c1 ZINC001184375559 1051999287 /nfs/dbraw/zinc/99/92/87/1051999287.db2.gz UYDDOSOCBGJFKA-MRXNPFEDSA-N 2 2 345.462 4.165 20 0 EIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(F)c1 ZINC001184375559 1051999295 /nfs/dbraw/zinc/99/92/95/1051999295.db2.gz UYDDOSOCBGJFKA-MRXNPFEDSA-N 2 2 345.462 4.165 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1C ZINC001176629857 1052146218 /nfs/dbraw/zinc/14/62/18/1052146218.db2.gz WIIJZOBBUWPASQ-QGZVFWFLSA-N 2 2 335.451 4.349 20 0 EIADLP CCC[N@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891238 1052200690 /nfs/dbraw/zinc/20/06/90/1052200690.db2.gz CDINVZZBBNDFLP-OAQYLSRUSA-N 2 2 344.543 4.321 20 0 EIADLP CCC[N@@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891238 1052200700 /nfs/dbraw/zinc/20/07/00/1052200700.db2.gz CDINVZZBBNDFLP-OAQYLSRUSA-N 2 2 344.543 4.321 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901237 1052579205 /nfs/dbraw/zinc/57/92/05/1052579205.db2.gz BQIMYHNSESOXKX-VXKWHMMOSA-N 2 2 338.495 4.018 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901237 1052579213 /nfs/dbraw/zinc/57/92/13/1052579213.db2.gz BQIMYHNSESOXKX-VXKWHMMOSA-N 2 2 338.495 4.018 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410381 1052649406 /nfs/dbraw/zinc/64/94/06/1052649406.db2.gz MNRRDIDTZGHBGJ-WIYYLYMNSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410381 1052649413 /nfs/dbraw/zinc/64/94/13/1052649413.db2.gz MNRRDIDTZGHBGJ-WIYYLYMNSA-N 2 2 338.495 4.247 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000178115372 1052700736 /nfs/dbraw/zinc/70/07/36/1052700736.db2.gz XUHMXRLUOFNMBL-KPFFTGBYSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000178115372 1052700741 /nfs/dbraw/zinc/70/07/41/1052700741.db2.gz XUHMXRLUOFNMBL-KPFFTGBYSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180674432 1052812915 /nfs/dbraw/zinc/81/29/15/1052812915.db2.gz SSLTWEVOYSKGEN-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623880008 1052828884 /nfs/dbraw/zinc/82/88/84/1052828884.db2.gz WHWKAVNHMVZZLS-WMZOPIPTSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623880008 1052828890 /nfs/dbraw/zinc/82/88/90/1052828890.db2.gz WHWKAVNHMVZZLS-WMZOPIPTSA-N 2 2 329.513 4.014 20 0 EIADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4scnc43)C2)c1 ZINC000623880207 1052829249 /nfs/dbraw/zinc/82/92/49/1052829249.db2.gz BHXUTHCZKPWAQS-ZBFHGGJFSA-N 2 2 347.553 4.084 20 0 EIADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCc4scnc43)C2)c1 ZINC000623880207 1052829254 /nfs/dbraw/zinc/82/92/54/1052829254.db2.gz BHXUTHCZKPWAQS-ZBFHGGJFSA-N 2 2 347.553 4.084 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000623898807 1052831875 /nfs/dbraw/zinc/83/18/75/1052831875.db2.gz RKQNOGNWMVQUOP-OFQRWUPVSA-N 2 2 335.542 4.247 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000623898807 1052831879 /nfs/dbraw/zinc/83/18/79/1052831879.db2.gz RKQNOGNWMVQUOP-OFQRWUPVSA-N 2 2 335.542 4.247 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623987264 1052845197 /nfs/dbraw/zinc/84/51/97/1052845197.db2.gz UKYLLEDQWFZAFQ-MJGOQNOKSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623987264 1052845200 /nfs/dbraw/zinc/84/52/00/1052845200.db2.gz UKYLLEDQWFZAFQ-MJGOQNOKSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000624113865 1052866701 /nfs/dbraw/zinc/86/67/01/1052866701.db2.gz OGBSZOPWAVIEDT-KRWDZBQOSA-N 2 2 334.467 4.204 20 0 EIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000182352722 1052928422 /nfs/dbraw/zinc/92/84/22/1052928422.db2.gz GMJSVOGVFIMSMB-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP CC[C@@H]([NH2+]CCC[NH2+][C@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000182504950 1052937139 /nfs/dbraw/zinc/93/71/39/1052937139.db2.gz JQCOIDPSPSRNCW-IAGOWNOFSA-N 2 2 348.491 4.068 20 0 EIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OC(F)F ZINC000325113001 1052943251 /nfs/dbraw/zinc/94/32/51/1052943251.db2.gz IJDMBLFIRBVACO-BBRMVZONSA-N 2 2 337.414 4.250 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215439 1053013843 /nfs/dbraw/zinc/01/38/43/1053013843.db2.gz PAIYZBZFZSOWMQ-UZLBHIALSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215439 1053013844 /nfs/dbraw/zinc/01/38/44/1053013844.db2.gz PAIYZBZFZSOWMQ-UZLBHIALSA-N 2 2 341.474 4.172 20 0 EIADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194847391 1053048177 /nfs/dbraw/zinc/04/81/77/1053048177.db2.gz RMBCVLBCLMQNJL-NRFANRHFSA-N 2 2 347.462 4.107 20 0 EIADLP CCCC[N@H+](C)c1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000850212373 1053088435 /nfs/dbraw/zinc/08/84/35/1053088435.db2.gz CPHPCSIHRJXWAQ-UHFFFAOYSA-N 2 2 335.455 4.116 20 0 EIADLP CCCC[N@@H+](C)c1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000850212373 1053088445 /nfs/dbraw/zinc/08/84/45/1053088445.db2.gz CPHPCSIHRJXWAQ-UHFFFAOYSA-N 2 2 335.455 4.116 20 0 EIADLP CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000764812986 1053322465 /nfs/dbraw/zinc/32/24/65/1053322465.db2.gz FODGEKHEXLMHGL-QGZVFWFLSA-N 2 2 335.451 4.181 20 0 EIADLP CCC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000765249368 1053475913 /nfs/dbraw/zinc/47/59/13/1053475913.db2.gz HMLJFELELCZIRT-RBUKOAKNSA-N 2 2 329.488 4.437 20 0 EIADLP CC(C)([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCC1 ZINC001202483765 1053513229 /nfs/dbraw/zinc/51/32/29/1053513229.db2.gz QXVUXXPDKDKWGV-UHFFFAOYSA-N 2 2 347.890 4.284 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866239608 1053661295 /nfs/dbraw/zinc/66/12/95/1053661295.db2.gz VWJOGIFJRVMXBH-WBMJQRKESA-N 2 2 346.862 4.443 20 0 EIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866351925 1053700597 /nfs/dbraw/zinc/70/05/97/1053700597.db2.gz STOHULYRFWPTLN-HSBZDZAISA-N 2 2 333.863 4.149 20 0 EIADLP CCC(CC)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000866505716 1053755252 /nfs/dbraw/zinc/75/52/52/1053755252.db2.gz SRRWJFNFCSPQFX-UHFFFAOYSA-N 2 2 329.410 4.009 20 0 EIADLP C[C@@H](c1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1)C(F)(F)F ZINC001197266289 1053864316 /nfs/dbraw/zinc/86/43/16/1053864316.db2.gz WNDSVWVXLOFKFF-HNNXBMFYSA-N 2 2 340.433 4.413 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC001197359275 1053883202 /nfs/dbraw/zinc/88/32/02/1053883202.db2.gz MHTWRWFFOZDBGQ-HXUWFJFHSA-N 2 2 348.506 4.244 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000122363344 1053951802 /nfs/dbraw/zinc/95/18/02/1053951802.db2.gz BNXCQJTYZQOOPH-INIZCTEOSA-N 2 2 341.499 4.228 20 0 EIADLP COC1(C[C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC1 ZINC000429523518 1053955586 /nfs/dbraw/zinc/95/55/86/1053955586.db2.gz WOIJKCRPOGOZEK-UYAOXDASSA-N 2 2 330.516 4.069 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429535803 1054093586 /nfs/dbraw/zinc/09/35/86/1054093586.db2.gz MOQWRTHJYQNFFG-IAGOWNOFSA-N 2 2 339.321 4.316 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429535803 1054093594 /nfs/dbraw/zinc/09/35/94/1054093594.db2.gz MOQWRTHJYQNFFG-IAGOWNOFSA-N 2 2 339.321 4.316 20 0 EIADLP CC(C)Oc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001199170940 1054357527 /nfs/dbraw/zinc/35/75/27/1054357527.db2.gz RAZLWHVKFIEUMJ-UHFFFAOYSA-N 2 2 327.453 4.011 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@H]1CCCOC1 ZINC000872050632 1054361423 /nfs/dbraw/zinc/36/14/23/1054361423.db2.gz AKVCHRDWGKBPPI-JBACZVJFSA-N 2 2 341.499 4.036 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000872115578 1054395962 /nfs/dbraw/zinc/39/59/62/1054395962.db2.gz DGQDDPOTLNHUDY-UHFFFAOYSA-N 2 2 349.828 4.106 20 0 EIADLP CC(C)Oc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001199391725 1054397009 /nfs/dbraw/zinc/39/70/09/1054397009.db2.gz JWNQDBSYVURFNJ-UHFFFAOYSA-N 2 2 327.453 4.011 20 0 EIADLP [NH3+]C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1C(F)(F)F ZINC000872147706 1054412876 /nfs/dbraw/zinc/41/28/76/1054412876.db2.gz CYUWSFNRSVIHJG-ONGXEEELSA-N 2 2 348.821 4.124 20 0 EIADLP [NH3+]C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1C(F)(F)F ZINC000872147706 1054412882 /nfs/dbraw/zinc/41/28/82/1054412882.db2.gz CYUWSFNRSVIHJG-ONGXEEELSA-N 2 2 348.821 4.124 20 0 EIADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001199640772 1054437814 /nfs/dbraw/zinc/43/78/14/1054437814.db2.gz XHXNWVPUAURPDT-BDTNDASRSA-N 2 2 344.543 4.253 20 0 EIADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001199640775 1054437835 /nfs/dbraw/zinc/43/78/35/1054437835.db2.gz XHXNWVPUAURPDT-YPAWHYETSA-N 2 2 344.543 4.253 20 0 EIADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccc(C)c3nc2Cl)C1 ZINC001199844372 1054476842 /nfs/dbraw/zinc/47/68/42/1054476842.db2.gz XRDBPWFCPILZGY-HNNXBMFYSA-N 2 2 331.891 4.018 20 0 EIADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccc(C)c3nc2Cl)C1 ZINC001199844372 1054476849 /nfs/dbraw/zinc/47/68/49/1054476849.db2.gz XRDBPWFCPILZGY-HNNXBMFYSA-N 2 2 331.891 4.018 20 0 EIADLP CCCC[C@@H](CC)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201558511 1054846885 /nfs/dbraw/zinc/84/68/85/1054846885.db2.gz CEZUPLQMNCFDEM-ZWKOTPCHSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201558511 1054846889 /nfs/dbraw/zinc/84/68/89/1054846889.db2.gz CEZUPLQMNCFDEM-ZWKOTPCHSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201558511 1054846893 /nfs/dbraw/zinc/84/68/93/1054846893.db2.gz CEZUPLQMNCFDEM-ZWKOTPCHSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201558511 1054846895 /nfs/dbraw/zinc/84/68/95/1054846895.db2.gz CEZUPLQMNCFDEM-ZWKOTPCHSA-N 2 2 334.552 4.316 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CCC(C)(C)C)CC3)cs1 ZINC001202073208 1055034214 /nfs/dbraw/zinc/03/42/14/1055034214.db2.gz KYPHYMYANVMMGE-UHFFFAOYSA-N 2 2 335.561 4.318 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CCC(C)(C)C)CC3)cs1 ZINC001202073208 1055034229 /nfs/dbraw/zinc/03/42/29/1055034229.db2.gz KYPHYMYANVMMGE-UHFFFAOYSA-N 2 2 335.561 4.318 20 0 EIADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC(F)(F)C1 ZINC000862254258 1055038471 /nfs/dbraw/zinc/03/84/71/1055038471.db2.gz AJYOXHVWKOXCDP-AWEZNQCLSA-N 2 2 337.458 4.063 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709900 1055997262 /nfs/dbraw/zinc/99/72/62/1055997262.db2.gz FSUGMXFDHCHLSC-SLTXQBBLSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709900 1055997272 /nfs/dbraw/zinc/99/72/72/1055997272.db2.gz FSUGMXFDHCHLSC-SLTXQBBLSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798996 1056583083 /nfs/dbraw/zinc/58/30/83/1056583083.db2.gz LCAMTELGCSECEP-HOTGVXAUSA-N 2 2 333.435 4.047 20 0 EIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304187 1059359867 /nfs/dbraw/zinc/35/98/67/1059359867.db2.gz MESYCMKOUQRKNV-LEWJYISDSA-N 2 2 331.463 4.289 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1Cl ZINC000766307114 1059379114 /nfs/dbraw/zinc/37/91/14/1059379114.db2.gz WEJJJCLJQNXFPB-RHSMWYFYSA-N 2 2 340.858 4.103 20 0 EIADLP C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325718 1059771398 /nfs/dbraw/zinc/77/13/98/1059771398.db2.gz MVMXPLRPJXFRRD-ACJLOTCBSA-N 2 2 339.826 4.310 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145232 1060665005 /nfs/dbraw/zinc/66/50/05/1060665005.db2.gz MBIZWFXAIVRLQL-KBXIAJHMSA-N 2 2 339.310 4.408 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145232 1060665011 /nfs/dbraw/zinc/66/50/11/1060665011.db2.gz MBIZWFXAIVRLQL-KBXIAJHMSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145232 1060665019 /nfs/dbraw/zinc/66/50/19/1060665019.db2.gz MBIZWFXAIVRLQL-KBXIAJHMSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145232 1060665024 /nfs/dbraw/zinc/66/50/24/1060665024.db2.gz MBIZWFXAIVRLQL-KBXIAJHMSA-N 2 2 339.310 4.408 20 0 EIADLP FC1(F)CCC[C@@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001169218508 1060696784 /nfs/dbraw/zinc/69/67/84/1060696784.db2.gz SLBFUNMCXJOPJU-QGZVFWFLSA-N 2 2 325.447 4.201 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001169266222 1060714009 /nfs/dbraw/zinc/71/40/09/1060714009.db2.gz VIJWBBKMUQMMOA-CQSZACIVSA-N 2 2 327.299 4.267 20 0 EIADLP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001169266222 1060714021 /nfs/dbraw/zinc/71/40/21/1060714021.db2.gz VIJWBBKMUQMMOA-CQSZACIVSA-N 2 2 327.299 4.267 20 0 EIADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459376406 1032098267 /nfs/dbraw/zinc/09/82/67/1032098267.db2.gz XCQKFZVMYCRADP-GUYCJALGSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459376406 1032098278 /nfs/dbraw/zinc/09/82/78/1032098278.db2.gz XCQKFZVMYCRADP-GUYCJALGSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Oc1ccc(Cl)cc1 ZINC000428568202 1032251908 /nfs/dbraw/zinc/25/19/08/1032251908.db2.gz TUSZZQQAAGLBOJ-ZDUSSCGKSA-N 2 2 347.871 4.144 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168152037 1032380895 /nfs/dbraw/zinc/38/08/95/1032380895.db2.gz FYEDTLNYMSPUBP-HNNXBMFYSA-N 2 2 325.843 4.247 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168152038 1032381299 /nfs/dbraw/zinc/38/12/99/1032381299.db2.gz FYEDTLNYMSPUBP-OAHLLOKOSA-N 2 2 325.843 4.247 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000177935016 1032513246 /nfs/dbraw/zinc/51/32/46/1032513246.db2.gz JRIIEUWZADYQAI-FQEVSTJZSA-N 2 2 341.405 4.451 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177933527 1032514518 /nfs/dbraw/zinc/51/45/18/1032514518.db2.gz SGNSXAMFTLFWHM-NRFANRHFSA-N 2 2 347.462 4.243 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512416117 1032706468 /nfs/dbraw/zinc/70/64/68/1032706468.db2.gz SRDOEHOZXRJQJN-UHFFFAOYSA-N 2 2 338.495 4.326 20 0 EIADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCC(C)C ZINC000432793221 1032812838 /nfs/dbraw/zinc/81/28/38/1032812838.db2.gz NQZLYHDOOJPNTF-IBGZPJMESA-N 2 2 348.531 4.036 20 0 EIADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCC(C)C ZINC000432793221 1032812841 /nfs/dbraw/zinc/81/28/41/1032812841.db2.gz NQZLYHDOOJPNTF-IBGZPJMESA-N 2 2 348.531 4.036 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000274892558 1019839492 /nfs/dbraw/zinc/83/94/92/1019839492.db2.gz JSALVMWAGPBBNE-SOLBZPMBSA-N 2 2 343.540 4.267 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274892558 1019839498 /nfs/dbraw/zinc/83/94/98/1019839498.db2.gz JSALVMWAGPBBNE-SOLBZPMBSA-N 2 2 343.540 4.267 20 0 EIADLP Fc1ccc(C([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000180094525 1020052739 /nfs/dbraw/zinc/05/27/39/1020052739.db2.gz MSUFBICENYXGKD-HNNXBMFYSA-N 2 2 342.433 4.128 20 0 EIADLP Fc1ccc(C([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000180094525 1020052751 /nfs/dbraw/zinc/05/27/51/1020052751.db2.gz MSUFBICENYXGKD-HNNXBMFYSA-N 2 2 342.433 4.128 20 0 EIADLP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655690096 1020900866 /nfs/dbraw/zinc/90/08/66/1020900866.db2.gz VKYGPUCDNUOVNW-VQTJNVASSA-N 2 2 330.516 4.007 20 0 EIADLP CC(C)Sc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655708737 1020907499 /nfs/dbraw/zinc/90/74/99/1020907499.db2.gz NJNWMHHSUJBTEZ-QFBILLFUSA-N 2 2 348.556 4.091 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957100 1021459697 /nfs/dbraw/zinc/45/96/97/1021459697.db2.gz RCWOCTFRSZMECS-WIYYLYMNSA-N 2 2 343.559 4.488 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957100 1021459734 /nfs/dbraw/zinc/45/97/34/1021459734.db2.gz RCWOCTFRSZMECS-WIYYLYMNSA-N 2 2 343.559 4.488 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139184 1021666865 /nfs/dbraw/zinc/66/68/65/1021666865.db2.gz MSFCCOJIGXUQFL-VCBZYWHSSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139184 1021666873 /nfs/dbraw/zinc/66/68/73/1021666873.db2.gz MSFCCOJIGXUQFL-VCBZYWHSSA-N 2 2 343.540 4.321 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCCC1 ZINC000414071500 1021800865 /nfs/dbraw/zinc/80/08/65/1021800865.db2.gz LXOAWHAZJWLQNS-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000706493652 1021822610 /nfs/dbraw/zinc/82/26/10/1021822610.db2.gz BKICIQWDESBUNH-UHFFFAOYSA-N 2 2 345.712 4.067 20 0 EIADLP C/C(=C\c1ccccc1)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377863184 1022059588 /nfs/dbraw/zinc/05/95/88/1022059588.db2.gz DACJLOOAQQXEOQ-CZIZESTLSA-N 2 2 349.522 4.124 20 0 EIADLP C/C(=C\c1ccccc1)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377863184 1022059608 /nfs/dbraw/zinc/05/96/08/1022059608.db2.gz DACJLOOAQQXEOQ-CZIZESTLSA-N 2 2 349.522 4.124 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000925509735 1022177123 /nfs/dbraw/zinc/17/71/23/1022177123.db2.gz ZIVBKGQNBFLACU-LLVKDONJSA-N 2 2 340.364 4.155 20 0 EIADLP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414221765 1022204476 /nfs/dbraw/zinc/20/44/76/1022204476.db2.gz DODZSSSSBDHPQL-UHFFFAOYSA-N 2 2 337.511 4.133 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000376350767 1022256622 /nfs/dbraw/zinc/25/66/22/1022256622.db2.gz IYRRHULLBCNWLM-APWZRJJASA-N 2 2 329.513 4.049 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000376350767 1022256643 /nfs/dbraw/zinc/25/66/43/1022256643.db2.gz IYRRHULLBCNWLM-APWZRJJASA-N 2 2 329.513 4.049 20 0 EIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)s1 ZINC000376561716 1023031859 /nfs/dbraw/zinc/03/18/59/1023031859.db2.gz NRFDVCPCRDOXSC-PNESKVBLSA-N 2 2 343.334 4.178 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccccc1 ZINC000656503611 1023074068 /nfs/dbraw/zinc/07/40/68/1023074068.db2.gz QKSVEFGFTANNQN-WQMHRJNTSA-N 2 2 345.490 4.414 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000510409129 1023106545 /nfs/dbraw/zinc/10/65/45/1023106545.db2.gz DTLHMTCTSBEDDK-UHFFFAOYSA-N 2 2 330.516 4.314 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000510409129 1023106559 /nfs/dbraw/zinc/10/65/59/1023106559.db2.gz DTLHMTCTSBEDDK-UHFFFAOYSA-N 2 2 330.516 4.314 20 0 EIADLP CCCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000584749405 1023273566 /nfs/dbraw/zinc/27/35/66/1023273566.db2.gz SBHLMOKGYMBGTA-UHFFFAOYSA-N 2 2 340.467 4.222 20 0 EIADLP Cc1cc2c(s1)N(c1ccccc1CC[NH3+])c1ccccc1NC2=[NH2+] ZINC001167469673 1023356718 /nfs/dbraw/zinc/35/67/18/1023356718.db2.gz STXHRNPEGBZLFP-UHFFFAOYSA-N 2 2 348.475 4.378 20 0 EIADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000511638361 1023364285 /nfs/dbraw/zinc/36/42/85/1023364285.db2.gz GIFQWQYPLXNAHO-UHFFFAOYSA-N 2 2 341.499 4.287 20 0 EIADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415072922 1023424409 /nfs/dbraw/zinc/42/44/09/1023424409.db2.gz AHQKMFLVWUMDEB-IFXJQAMLSA-N 2 2 332.850 4.158 20 0 EIADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369460 1023496699 /nfs/dbraw/zinc/49/66/99/1023496699.db2.gz PXZPIAROUWAKAH-TYPHKJRUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369460 1023496704 /nfs/dbraw/zinc/49/67/04/1023496704.db2.gz PXZPIAROUWAKAH-TYPHKJRUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377369460 1023496707 /nfs/dbraw/zinc/49/67/07/1023496707.db2.gz PXZPIAROUWAKAH-TYPHKJRUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377369460 1023496709 /nfs/dbraw/zinc/49/67/09/1023496709.db2.gz PXZPIAROUWAKAH-TYPHKJRUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566447 1023684669 /nfs/dbraw/zinc/68/46/69/1023684669.db2.gz ARBXDXMCYZEDLH-VQTJNVASSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566447 1023684678 /nfs/dbraw/zinc/68/46/78/1023684678.db2.gz ARBXDXMCYZEDLH-VQTJNVASSA-N 2 2 344.524 4.080 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000377750835 1023742091 /nfs/dbraw/zinc/74/20/91/1023742091.db2.gz WTCJWEDELPJKBG-IAGOWNOFSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000377750835 1023742096 /nfs/dbraw/zinc/74/20/96/1023742096.db2.gz WTCJWEDELPJKBG-IAGOWNOFSA-N 2 2 328.431 4.111 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000510469448 1023768436 /nfs/dbraw/zinc/76/84/36/1023768436.db2.gz NBCYIXNUKGVXSG-UHFFFAOYSA-N 2 2 343.540 4.425 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000510469448 1023768443 /nfs/dbraw/zinc/76/84/43/1023768443.db2.gz NBCYIXNUKGVXSG-UHFFFAOYSA-N 2 2 343.540 4.425 20 0 EIADLP CSc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000660430276 1023771140 /nfs/dbraw/zinc/77/11/40/1023771140.db2.gz LTIQZWOUBTUQPR-UHFFFAOYSA-N 2 2 328.481 4.155 20 0 EIADLP FC(F)Oc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660680010 1024009747 /nfs/dbraw/zinc/00/97/47/1024009747.db2.gz VWQLRHIJFMAZLZ-UHFFFAOYSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660674505 1024009818 /nfs/dbraw/zinc/00/98/18/1024009818.db2.gz AAEBOHYSFPHACV-UHFFFAOYSA-N 2 2 330.422 4.378 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@H]1c1cccs1 ZINC000651719033 1024268699 /nfs/dbraw/zinc/26/86/99/1024268699.db2.gz GNNHCQYPNTVNJP-LIRRHRJNSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@H]1c1cccs1 ZINC000651719033 1024268711 /nfs/dbraw/zinc/26/87/11/1024268711.db2.gz GNNHCQYPNTVNJP-LIRRHRJNSA-N 2 2 341.480 4.062 20 0 EIADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)c1 ZINC000651724871 1024278391 /nfs/dbraw/zinc/27/83/91/1024278391.db2.gz KEURVOLFXLCUDN-LJQANCHMSA-N 2 2 339.870 4.456 20 0 EIADLP Cc1cc(OCCC[C@@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000510737682 1024368072 /nfs/dbraw/zinc/36/80/72/1024368072.db2.gz TZGFTOFQXPDHOV-MRXNPFEDSA-N 2 2 335.879 4.072 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000510874854 1024698538 /nfs/dbraw/zinc/69/85/38/1024698538.db2.gz QQQHDUPPFYFYPX-INIZCTEOSA-N 2 2 345.512 4.036 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000510874854 1024698574 /nfs/dbraw/zinc/69/85/74/1024698574.db2.gz QQQHDUPPFYFYPX-INIZCTEOSA-N 2 2 345.512 4.036 20 0 EIADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1Cl ZINC000432237936 1024704682 /nfs/dbraw/zinc/70/46/82/1024704682.db2.gz AKHSPDCRZMCBLM-UHFFFAOYSA-N 2 2 331.262 4.239 20 0 EIADLP CCc1nc(N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000709639192 1024814244 /nfs/dbraw/zinc/81/42/44/1024814244.db2.gz DWJHHEOCIOKBDW-LJQANCHMSA-N 2 2 338.499 4.204 20 0 EIADLP CCc1nc(N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000709639192 1024814245 /nfs/dbraw/zinc/81/42/45/1024814245.db2.gz DWJHHEOCIOKBDW-LJQANCHMSA-N 2 2 338.499 4.204 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742291 1024844684 /nfs/dbraw/zinc/84/46/84/1024844684.db2.gz IOMIBJRLGVZZHI-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742291 1024844686 /nfs/dbraw/zinc/84/46/86/1024844686.db2.gz IOMIBJRLGVZZHI-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742291 1024844687 /nfs/dbraw/zinc/84/46/87/1024844687.db2.gz IOMIBJRLGVZZHI-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742291 1024844688 /nfs/dbraw/zinc/84/46/88/1024844688.db2.gz IOMIBJRLGVZZHI-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)[nH]1 ZINC000535798089 1024953913 /nfs/dbraw/zinc/95/39/13/1024953913.db2.gz FUYVMLWYGVRILM-OAHLLOKOSA-N 2 2 330.501 4.294 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)[nH]1 ZINC000535798089 1024953922 /nfs/dbraw/zinc/95/39/22/1024953922.db2.gz FUYVMLWYGVRILM-OAHLLOKOSA-N 2 2 330.501 4.294 20 0 EIADLP c1sc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000663347140 1025142272 /nfs/dbraw/zinc/14/22/72/1025142272.db2.gz ZSBTTYDGABNENB-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP c1sc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000663347140 1025142279 /nfs/dbraw/zinc/14/22/79/1025142279.db2.gz ZSBTTYDGABNENB-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236748079 1025286709 /nfs/dbraw/zinc/28/67/09/1025286709.db2.gz KRUKJJYILJNHLV-UHFFFAOYSA-N 2 2 333.435 4.100 20 0 EIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CCSC3)cc2)c[nH+]1 ZINC000165551296 1025328273 /nfs/dbraw/zinc/32/82/73/1025328273.db2.gz FLRXVGYHNDVNSL-HXUWFJFHSA-N 2 2 349.503 4.194 20 0 EIADLP CC[C@H](COC)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165580555 1025341144 /nfs/dbraw/zinc/34/11/44/1025341144.db2.gz OJNQWABVLJHBJO-OAQYLSRUSA-N 2 2 349.478 4.113 20 0 EIADLP C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000511988222 1025428617 /nfs/dbraw/zinc/42/86/17/1025428617.db2.gz GTURRNSJHWSAMS-PUECVXPYSA-N 2 2 349.931 4.345 20 0 EIADLP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000663476090 1025439840 /nfs/dbraw/zinc/43/98/40/1025439840.db2.gz XNIDMZOFFNEYCQ-HSZRJFAPSA-N 2 2 349.522 4.004 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164907 1025581601 /nfs/dbraw/zinc/58/16/01/1025581601.db2.gz VRAPUAJVFKFDFX-UXHICEINSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164907 1025581624 /nfs/dbraw/zinc/58/16/24/1025581624.db2.gz VRAPUAJVFKFDFX-UXHICEINSA-N 2 2 343.902 4.093 20 0 EIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Sc2ccccn2)o1)C(C)(C)C ZINC000511041761 1025815791 /nfs/dbraw/zinc/81/57/91/1025815791.db2.gz IBADOPNDYWDEFY-MRXNPFEDSA-N 2 2 347.528 4.282 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000187708636 1025885588 /nfs/dbraw/zinc/88/55/88/1025885588.db2.gz GCGMZQOPIADVHR-HNNXBMFYSA-N 2 2 345.712 4.237 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000151944863 1025923689 /nfs/dbraw/zinc/92/36/89/1025923689.db2.gz SDYCSVZHSXZQRF-ZVZYQTTQSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000151944863 1025923711 /nfs/dbraw/zinc/92/37/11/1025923711.db2.gz SDYCSVZHSXZQRF-ZVZYQTTQSA-N 2 2 329.513 4.013 20 0 EIADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000344129080 1026042649 /nfs/dbraw/zinc/04/26/49/1026042649.db2.gz KORNZHSNOIPFTC-MGPUTAFESA-N 2 2 349.434 4.055 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000303794629 1026172105 /nfs/dbraw/zinc/17/21/05/1026172105.db2.gz VOSPSCCLRZUPGY-XLIONFOSSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000303794629 1026172116 /nfs/dbraw/zinc/17/21/16/1026172116.db2.gz VOSPSCCLRZUPGY-XLIONFOSSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794629 1026172126 /nfs/dbraw/zinc/17/21/26/1026172126.db2.gz VOSPSCCLRZUPGY-XLIONFOSSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794629 1026172135 /nfs/dbraw/zinc/17/21/35/1026172135.db2.gz VOSPSCCLRZUPGY-XLIONFOSSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCc4occc43)CC2)cc1 ZINC000152251387 1026251835 /nfs/dbraw/zinc/25/18/35/1026251835.db2.gz VJKMYONICWEQSG-HXUWFJFHSA-N 2 2 342.458 4.093 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCS2 ZINC000162830320 1026314196 /nfs/dbraw/zinc/31/41/96/1026314196.db2.gz DLFHFOKWVXSKEU-MRXNPFEDSA-N 2 2 331.460 4.240 20 0 EIADLP C[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342479095 1026419528 /nfs/dbraw/zinc/41/95/28/1026419528.db2.gz LGDMEGHNJHCKFG-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167894474 1026657303 /nfs/dbraw/zinc/65/73/03/1026657303.db2.gz OBSSDYYBKPAWAS-HWWDLCQESA-N 2 2 338.417 4.058 20 0 EIADLP CC[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140566493 1026668181 /nfs/dbraw/zinc/66/81/81/1026668181.db2.gz ITAPXSWYACKXJL-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140566493 1026668187 /nfs/dbraw/zinc/66/81/87/1026668187.db2.gz ITAPXSWYACKXJL-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507429762 1026793261 /nfs/dbraw/zinc/79/32/61/1026793261.db2.gz PYMBXNCCHXNFLF-ZDUSSCGKSA-N 2 2 345.368 4.183 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000507460077 1026800783 /nfs/dbraw/zinc/80/07/83/1026800783.db2.gz HMXZSRASSHJQSX-GOSISDBHSA-N 2 2 337.511 4.002 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000152899648 1026875296 /nfs/dbraw/zinc/87/52/96/1026875296.db2.gz BHORVRMERSJKRR-MRXNPFEDSA-N 2 2 343.540 4.063 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657506820 1026882527 /nfs/dbraw/zinc/88/25/27/1026882527.db2.gz ULTODRKLSVJQQM-MOPGFXCFSA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657506820 1026882531 /nfs/dbraw/zinc/88/25/31/1026882531.db2.gz ULTODRKLSVJQQM-MOPGFXCFSA-N 2 2 341.524 4.225 20 0 EIADLP c1c[nH+]c(C2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)[nH]1 ZINC000277825193 1027011475 /nfs/dbraw/zinc/01/14/75/1027011475.db2.gz VUUHNFKFGBAMEU-UHFFFAOYSA-N 2 2 330.501 4.294 20 0 EIADLP C[N@@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301890927 1027133004 /nfs/dbraw/zinc/13/30/04/1027133004.db2.gz RALLHAGOKXDFEM-GUYCJALGSA-N 2 2 326.469 4.119 20 0 EIADLP C[N@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301890927 1027133033 /nfs/dbraw/zinc/13/30/33/1027133033.db2.gz RALLHAGOKXDFEM-GUYCJALGSA-N 2 2 326.469 4.119 20 0 EIADLP Cc1nc2ccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc2s1 ZINC000896195860 1027321726 /nfs/dbraw/zinc/32/17/26/1027321726.db2.gz VBJJQRWWYKACJI-UHFFFAOYSA-N 2 2 338.480 4.076 20 0 EIADLP Cc1cc(F)cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001143580441 1027324072 /nfs/dbraw/zinc/32/40/72/1027324072.db2.gz KFINAURXIALIFP-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1cc(F)cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001143580441 1027324102 /nfs/dbraw/zinc/32/41/02/1027324102.db2.gz KFINAURXIALIFP-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276885 1027370119 /nfs/dbraw/zinc/37/01/19/1027370119.db2.gz ZMIYKHRTDSAZCM-PLWAMTLXSA-N 2 2 336.479 4.324 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276885 1027370139 /nfs/dbraw/zinc/37/01/39/1027370139.db2.gz ZMIYKHRTDSAZCM-PLWAMTLXSA-N 2 2 336.479 4.324 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333949 1027450345 /nfs/dbraw/zinc/45/03/45/1027450345.db2.gz VETMYXFBBQZGQG-IBGZPJMESA-N 2 2 339.483 4.180 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333949 1027450359 /nfs/dbraw/zinc/45/03/59/1027450359.db2.gz VETMYXFBBQZGQG-IBGZPJMESA-N 2 2 339.483 4.180 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333949 1027450366 /nfs/dbraw/zinc/45/03/66/1027450366.db2.gz VETMYXFBBQZGQG-IBGZPJMESA-N 2 2 339.483 4.180 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333949 1027450376 /nfs/dbraw/zinc/45/03/76/1027450376.db2.gz VETMYXFBBQZGQG-IBGZPJMESA-N 2 2 339.483 4.180 20 0 EIADLP Fc1cccc([C@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000475561339 1027634915 /nfs/dbraw/zinc/63/49/15/1027634915.db2.gz XXXZTICVNIKXPP-ICSRJNTNSA-N 2 2 335.426 4.437 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc(F)c1 ZINC000153661354 1027836104 /nfs/dbraw/zinc/83/61/04/1027836104.db2.gz LNDJFNKOVMLDBG-GFCCVEGCSA-N 2 2 331.341 4.140 20 0 EIADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000153816482 1027979464 /nfs/dbraw/zinc/97/94/64/1027979464.db2.gz OFVPXXFNFCRTSV-AWEZNQCLSA-N 2 2 348.487 4.211 20 0 EIADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153831770 1027986734 /nfs/dbraw/zinc/98/67/34/1027986734.db2.gz PXEFVCBZHHAEOV-YLJYHZDGSA-N 2 2 340.515 4.124 20 0 EIADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382172 1028177752 /nfs/dbraw/zinc/17/77/52/1028177752.db2.gz RCDPVMSWAQXYHY-ILWGZMRPSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382172 1028177763 /nfs/dbraw/zinc/17/77/63/1028177763.db2.gz RCDPVMSWAQXYHY-ILWGZMRPSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000428382172 1028177772 /nfs/dbraw/zinc/17/77/72/1028177772.db2.gz RCDPVMSWAQXYHY-ILWGZMRPSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000428382172 1028177779 /nfs/dbraw/zinc/17/77/79/1028177779.db2.gz RCDPVMSWAQXYHY-ILWGZMRPSA-N 2 2 342.527 4.101 20 0 EIADLP CSc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583329522 1028515443 /nfs/dbraw/zinc/51/54/43/1028515443.db2.gz DXEUBEWSNLAHPS-CALCHBBNSA-N 2 2 344.549 4.034 20 0 EIADLP CSc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583329522 1028515449 /nfs/dbraw/zinc/51/54/49/1028515449.db2.gz DXEUBEWSNLAHPS-CALCHBBNSA-N 2 2 344.549 4.034 20 0 EIADLP CSc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583329522 1028515459 /nfs/dbraw/zinc/51/54/59/1028515459.db2.gz DXEUBEWSNLAHPS-CALCHBBNSA-N 2 2 344.549 4.034 20 0 EIADLP CSc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000583329522 1028515473 /nfs/dbraw/zinc/51/54/73/1028515473.db2.gz DXEUBEWSNLAHPS-CALCHBBNSA-N 2 2 344.549 4.034 20 0 EIADLP CC(C)c1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000583348713 1028549222 /nfs/dbraw/zinc/54/92/22/1028549222.db2.gz BQJLMKHZPLVXKN-UHFFFAOYSA-N 2 2 326.484 4.499 20 0 EIADLP CC(C)c1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000583348713 1028549241 /nfs/dbraw/zinc/54/92/41/1028549241.db2.gz BQJLMKHZPLVXKN-UHFFFAOYSA-N 2 2 326.484 4.499 20 0 EIADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173803 1028925121 /nfs/dbraw/zinc/92/51/21/1028925121.db2.gz ZPULPEWVKIZIIM-WBVHZDCISA-N 2 2 329.513 4.093 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000151121169 1029115208 /nfs/dbraw/zinc/11/52/08/1029115208.db2.gz SIQLHJJPZGNPNY-GOSISDBHSA-N 2 2 335.451 4.203 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](CCc1ccccc1)Cc1ccccc1)CC2 ZINC000427871612 1029274554 /nfs/dbraw/zinc/27/45/54/1029274554.db2.gz LEFAREZLRUFHDJ-YADHBBJMSA-N 2 2 345.490 4.032 20 0 EIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000475125659 1029282261 /nfs/dbraw/zinc/28/22/61/1029282261.db2.gz UXMLKJRLZFXBOL-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000475125659 1029282284 /nfs/dbraw/zinc/28/22/84/1029282284.db2.gz UXMLKJRLZFXBOL-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000132319025 1029456674 /nfs/dbraw/zinc/45/66/74/1029456674.db2.gz KSJKCFRANGKRPS-HNNXBMFYSA-N 2 2 343.540 4.329 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)s1 ZINC000151317201 1029474729 /nfs/dbraw/zinc/47/47/29/1029474729.db2.gz VEDRPXTZBQSSPO-ZDUSSCGKSA-N 2 2 331.872 4.497 20 0 EIADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151354030 1029495099 /nfs/dbraw/zinc/49/50/99/1029495099.db2.gz FLVFZVKQZPCEDX-JOCHJYFZSA-N 2 2 347.462 4.107 20 0 EIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151355619 1029495601 /nfs/dbraw/zinc/49/56/01/1029495601.db2.gz OOFRWAGTZQBKCZ-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1C ZINC000525207852 1029514941 /nfs/dbraw/zinc/51/49/41/1029514941.db2.gz RFDBKVYVIQJXKK-WMLDXEAASA-N 2 2 336.907 4.234 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCC[C@@H]3C3CC3)C2)CC1 ZINC000475338306 1029553671 /nfs/dbraw/zinc/55/36/71/1029553671.db2.gz SSYKGRLFIZDXEQ-HIEASXQVSA-N 2 2 344.465 4.350 20 0 EIADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000475339081 1029553746 /nfs/dbraw/zinc/55/37/46/1029553746.db2.gz XZTNZJWDZPMSIE-UHFFFAOYSA-N 2 2 344.396 4.029 20 0 EIADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475339907 1029555873 /nfs/dbraw/zinc/55/58/73/1029555873.db2.gz WPIADHBKMNJYCS-BHUNQDJPSA-N 2 2 332.454 4.206 20 0 EIADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000525479477 1029650711 /nfs/dbraw/zinc/65/07/11/1029650711.db2.gz DHYQAKZKUXFATG-UHFFFAOYSA-N 2 2 339.483 4.491 20 0 EIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000525479477 1029650733 /nfs/dbraw/zinc/65/07/33/1029650733.db2.gz DHYQAKZKUXFATG-UHFFFAOYSA-N 2 2 339.483 4.491 20 0 EIADLP CCCOc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447075784 1029688041 /nfs/dbraw/zinc/68/80/41/1029688041.db2.gz LBJQYFLWWFTCHH-UHFFFAOYSA-N 2 2 340.467 4.222 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000584322702 1029732148 /nfs/dbraw/zinc/73/21/48/1029732148.db2.gz CTDRMVOVNIJAFJ-WYMLVPIESA-N 2 2 347.409 4.294 20 0 EIADLP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)s1 ZINC000090888791 1029864670 /nfs/dbraw/zinc/86/46/70/1029864670.db2.gz CAGHYNRBOTYZPX-GFCCVEGCSA-N 2 2 326.469 4.105 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3OC3CCCC3)C2)[nH]1 ZINC000092071552 1029899754 /nfs/dbraw/zinc/89/97/54/1029899754.db2.gz XQEBQJZKPZQFLU-QGZVFWFLSA-N 2 2 325.456 4.111 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3OC3CCCC3)C2)[nH]1 ZINC000092071552 1029899758 /nfs/dbraw/zinc/89/97/58/1029899758.db2.gz XQEBQJZKPZQFLU-QGZVFWFLSA-N 2 2 325.456 4.111 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000525787278 1030002481 /nfs/dbraw/zinc/00/24/81/1030002481.db2.gz IPRHMZAVICGZEE-MRXNPFEDSA-N 2 2 326.406 4.013 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000525787278 1030002499 /nfs/dbraw/zinc/00/24/99/1030002499.db2.gz IPRHMZAVICGZEE-MRXNPFEDSA-N 2 2 326.406 4.013 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000121369867 1030024367 /nfs/dbraw/zinc/02/43/67/1030024367.db2.gz RXBVXYNUMHVMDJ-HNAYVOBHSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000121369867 1030024398 /nfs/dbraw/zinc/02/43/98/1030024398.db2.gz RXBVXYNUMHVMDJ-HNAYVOBHSA-N 2 2 347.890 4.087 20 0 EIADLP Fc1c(Cl)cccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000525972205 1030130724 /nfs/dbraw/zinc/13/07/24/1030130724.db2.gz GDLFQWZMFFNZRC-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575749 1030200344 /nfs/dbraw/zinc/20/03/44/1030200344.db2.gz ZFWJJBZVMKUHAJ-JXXFODFXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575749 1030200360 /nfs/dbraw/zinc/20/03/60/1030200360.db2.gz ZFWJJBZVMKUHAJ-JXXFODFXSA-N 2 2 338.499 4.027 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220270 1030215103 /nfs/dbraw/zinc/21/51/03/1030215103.db2.gz NGUCOKKBSXCMKQ-WBMJQRKESA-N 2 2 345.487 4.193 20 0 EIADLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3csc(C(C)C)n3)CC2)[nH+]c1 ZINC000186355693 1030278242 /nfs/dbraw/zinc/27/82/42/1030278242.db2.gz BFCBIPSOKLIZTD-HNNXBMFYSA-N 2 2 344.528 4.290 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447730180 1030298039 /nfs/dbraw/zinc/29/80/39/1030298039.db2.gz JODITUZGQKGCEX-MRXNPFEDSA-N 2 2 338.898 4.075 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447730180 1030298057 /nfs/dbraw/zinc/29/80/57/1030298057.db2.gz JODITUZGQKGCEX-MRXNPFEDSA-N 2 2 338.898 4.075 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447730180 1030298084 /nfs/dbraw/zinc/29/80/84/1030298084.db2.gz JODITUZGQKGCEX-MRXNPFEDSA-N 2 2 338.898 4.075 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447730180 1030298103 /nfs/dbraw/zinc/29/81/03/1030298103.db2.gz JODITUZGQKGCEX-MRXNPFEDSA-N 2 2 338.898 4.075 20 0 EIADLP Cc1ccc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)ccc2n1 ZINC000189281753 1030460577 /nfs/dbraw/zinc/46/05/77/1030460577.db2.gz CNCWSVHAGKCVBF-UHFFFAOYSA-N 2 2 346.409 4.158 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000527227379 1030583704 /nfs/dbraw/zinc/58/37/04/1030583704.db2.gz UMARYUXYRJFXQE-CQSZACIVSA-N 2 2 326.937 4.272 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000527227379 1030583715 /nfs/dbraw/zinc/58/37/15/1030583715.db2.gz UMARYUXYRJFXQE-CQSZACIVSA-N 2 2 326.937 4.272 20 0 EIADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925207204 1030626713 /nfs/dbraw/zinc/62/67/13/1030626713.db2.gz OZICMBUIRKXPMV-SFHVURJKSA-N 2 2 333.907 4.109 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000191977818 1030669907 /nfs/dbraw/zinc/66/99/07/1030669907.db2.gz WLIKJXRXJOHVIV-KRWDZBQOSA-N 2 2 338.480 4.017 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000191977818 1030669916 /nfs/dbraw/zinc/66/99/16/1030669916.db2.gz WLIKJXRXJOHVIV-KRWDZBQOSA-N 2 2 338.480 4.017 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527662424 1030803597 /nfs/dbraw/zinc/80/35/97/1030803597.db2.gz QBXADSJXKZODIO-HNNXBMFYSA-N 2 2 329.875 4.050 20 0 EIADLP Clc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1-c1ccccc1 ZINC000527710442 1030830463 /nfs/dbraw/zinc/83/04/63/1030830463.db2.gz KYVJAZREMGYHKB-MRXNPFEDSA-N 2 2 337.854 4.377 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000658195460 1030879067 /nfs/dbraw/zinc/87/90/67/1030879067.db2.gz NKNMVIWNVGHYEB-MNLRITNHSA-N 2 2 349.453 4.379 20 0 EIADLP Cc1ccc(N([C@@H](C)Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)[nH+]c1 ZINC001168190735 1030921572 /nfs/dbraw/zinc/92/15/72/1030921572.db2.gz CVRQXQWKIVJCHG-INIZCTEOSA-N 2 2 343.902 4.233 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004882 1031028429 /nfs/dbraw/zinc/02/84/29/1031028429.db2.gz YBPQADCINUZXMG-QWFCFKBJSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004882 1031028446 /nfs/dbraw/zinc/02/84/46/1031028446.db2.gz YBPQADCINUZXMG-QWFCFKBJSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccc(C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c1 ZINC000532450027 1031088037 /nfs/dbraw/zinc/08/80/37/1031088037.db2.gz FRXUCBYOCGLIBH-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C2CCC(C)CC2)CC3)cs1 ZINC001168211635 1031279710 /nfs/dbraw/zinc/27/97/10/1031279710.db2.gz FOFUNRKKCUERBP-UHFFFAOYSA-N 2 2 347.572 4.461 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C2CCC(C)CC2)CC3)cs1 ZINC001168211635 1031279730 /nfs/dbraw/zinc/27/97/30/1031279730.db2.gz FOFUNRKKCUERBP-UHFFFAOYSA-N 2 2 347.572 4.461 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc(F)c1 ZINC000449073520 1031426991 /nfs/dbraw/zinc/42/69/91/1031426991.db2.gz IYCCCDGOTGSCHW-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP COc1cccc(C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000531684073 1031476886 /nfs/dbraw/zinc/47/68/86/1031476886.db2.gz LNNDZOBQFJWVAX-QFIPXVFZSA-N 2 2 349.478 4.246 20 0 EIADLP COc1cccc2c(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)cccc12 ZINC000449175082 1031497831 /nfs/dbraw/zinc/49/78/31/1031497831.db2.gz ZTAVRHTYLZDKAO-KRWDZBQOSA-N 2 2 335.451 4.021 20 0 EIADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000528443524 1031509687 /nfs/dbraw/zinc/50/96/87/1031509687.db2.gz QCZCWEGGPRAFTH-FOIQADDNSA-N 2 2 339.414 4.050 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449208787 1031534350 /nfs/dbraw/zinc/53/43/50/1031534350.db2.gz OJEXRZQVMCNVSD-MRXNPFEDSA-N 2 2 335.451 4.143 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2sccc21 ZINC000453059676 1031548172 /nfs/dbraw/zinc/54/81/72/1031548172.db2.gz MXYZVJDSYSCSSG-YOEHRIQHSA-N 2 2 327.497 4.340 20 0 EIADLP Clc1ccc(C2=CC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000449259080 1031581090 /nfs/dbraw/zinc/58/10/90/1031581090.db2.gz POHXHXROOFIXLY-ROUUACIJSA-N 2 2 327.859 4.077 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093397 1031585059 /nfs/dbraw/zinc/58/50/59/1031585059.db2.gz RCJUIOYTVFWRDU-MSOLQXFVSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093397 1031585064 /nfs/dbraw/zinc/58/50/64/1031585064.db2.gz RCJUIOYTVFWRDU-MSOLQXFVSA-N 2 2 340.515 4.002 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2F)cc1 ZINC000125937808 1031624323 /nfs/dbraw/zinc/62/43/23/1031624323.db2.gz LTKSERRWVWFAPE-CYBMUJFWSA-N 2 2 327.378 4.310 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000126490330 1031650584 /nfs/dbraw/zinc/65/05/84/1031650584.db2.gz NLTPJUHACZSORZ-GOSISDBHSA-N 2 2 340.858 4.470 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000459294591 1031711325 /nfs/dbraw/zinc/71/13/25/1031711325.db2.gz FPKHMLKOWFYTDW-UHFFFAOYSA-N 2 2 338.495 4.197 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H](C3CC3)C3CCCC3)C2)CC1 ZINC000453225065 1031746764 /nfs/dbraw/zinc/74/67/64/1031746764.db2.gz SKWNAUICIGRFGK-ABHNRTSZSA-N 2 2 344.465 4.350 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453257073 1031780079 /nfs/dbraw/zinc/78/00/79/1031780079.db2.gz URYISAAFTYPVSW-KKLQWCBXSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453257073 1031780092 /nfs/dbraw/zinc/78/00/92/1031780092.db2.gz URYISAAFTYPVSW-KKLQWCBXSA-N 2 2 349.522 4.002 20 0 EIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000459326627 1031819173 /nfs/dbraw/zinc/81/91/73/1031819173.db2.gz NDMJXPUGCXYPKJ-CYBMUJFWSA-N 2 2 325.378 4.065 20 0 EIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000459326627 1031819176 /nfs/dbraw/zinc/81/91/76/1031819176.db2.gz NDMJXPUGCXYPKJ-CYBMUJFWSA-N 2 2 325.378 4.065 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000359895062 1031895685 /nfs/dbraw/zinc/89/56/85/1031895685.db2.gz GGPGCFSCNAORSW-GDBMZVCRSA-N 2 2 339.439 4.175 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000531974837 1031915973 /nfs/dbraw/zinc/91/59/73/1031915973.db2.gz OWISQOOJYFJQMN-RTWAWAEBSA-N 2 2 344.543 4.192 20 0 EIADLP Cc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(F)c2)c1 ZINC000453376695 1031926466 /nfs/dbraw/zinc/92/64/66/1031926466.db2.gz YRFNHFSVELKRSZ-LQCXBHPOSA-N 2 2 338.470 4.438 20 0 EIADLP Cc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(F)c2)c1 ZINC000453376695 1031926474 /nfs/dbraw/zinc/92/64/74/1031926474.db2.gz YRFNHFSVELKRSZ-LQCXBHPOSA-N 2 2 338.470 4.438 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000509826689 1034088622 /nfs/dbraw/zinc/08/86/22/1034088622.db2.gz LRQZKQSGFFLLFL-UHFFFAOYSA-N 2 2 345.512 4.036 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894187514 1034651752 /nfs/dbraw/zinc/65/17/52/1034651752.db2.gz KMAMCRJAZRJYLY-UHFFFAOYSA-N 2 2 345.490 4.297 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000501377670 1035432703 /nfs/dbraw/zinc/43/27/03/1035432703.db2.gz MOBIKXZFCKXDJS-AAWPKVBNSA-N 2 2 337.389 4.231 20 0 EIADLP Fc1cccc(F)c1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420312741 1035508111 /nfs/dbraw/zinc/50/81/11/1035508111.db2.gz OUWUTVWDEKVNIC-GOSISDBHSA-N 2 2 348.462 4.171 20 0 EIADLP Fc1cccc(F)c1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420312741 1035508121 /nfs/dbraw/zinc/50/81/21/1035508121.db2.gz OUWUTVWDEKVNIC-GOSISDBHSA-N 2 2 348.462 4.171 20 0 EIADLP C[C@@H](CCC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000571350676 1036034123 /nfs/dbraw/zinc/03/41/23/1036034123.db2.gz ZKENDZGQATYMLO-INIZCTEOSA-N 2 2 332.536 4.239 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCOCC1)c1ccccc1 ZINC000502281663 1036039799 /nfs/dbraw/zinc/03/97/99/1036039799.db2.gz LTQVROFFKZYCCE-KCLUMXDGSA-N 2 2 342.527 4.055 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306934 1036065867 /nfs/dbraw/zinc/06/58/67/1036065867.db2.gz DESQAVJDMQAOEX-WMZOPIPTSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306934 1036065890 /nfs/dbraw/zinc/06/58/90/1036065890.db2.gz DESQAVJDMQAOEX-WMZOPIPTSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ncsc2c1 ZINC000485710055 1036186742 /nfs/dbraw/zinc/18/67/42/1036186742.db2.gz LPEHFUTUFZVXBD-CQSZACIVSA-N 2 2 338.480 4.011 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693073 1036543866 /nfs/dbraw/zinc/54/38/66/1036543866.db2.gz GPCMKSNRHROUCM-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693073 1036543880 /nfs/dbraw/zinc/54/38/80/1036543880.db2.gz GPCMKSNRHROUCM-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693073 1036543891 /nfs/dbraw/zinc/54/38/91/1036543891.db2.gz GPCMKSNRHROUCM-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693073 1036543919 /nfs/dbraw/zinc/54/39/19/1036543919.db2.gz GPCMKSNRHROUCM-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693071 1036548595 /nfs/dbraw/zinc/54/85/95/1036548595.db2.gz GPCMKSNRHROUCM-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693071 1036548641 /nfs/dbraw/zinc/54/86/41/1036548641.db2.gz GPCMKSNRHROUCM-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693071 1036548662 /nfs/dbraw/zinc/54/86/62/1036548662.db2.gz GPCMKSNRHROUCM-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693071 1036548724 /nfs/dbraw/zinc/54/87/24/1036548724.db2.gz GPCMKSNRHROUCM-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000421821366 1036777152 /nfs/dbraw/zinc/77/71/52/1036777152.db2.gz RBKHISDYSAUUTD-CQSZACIVSA-N 2 2 345.874 4.063 20 0 EIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000421830205 1036789462 /nfs/dbraw/zinc/78/94/62/1036789462.db2.gz JQHAXORPECYJHE-UONOGXRCSA-N 2 2 333.863 4.082 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829451 1036790156 /nfs/dbraw/zinc/79/01/56/1036790156.db2.gz HYXYFXYFLNOXJZ-BQFCYCMXSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829451 1036790172 /nfs/dbraw/zinc/79/01/72/1036790172.db2.gz HYXYFXYFLNOXJZ-BQFCYCMXSA-N 2 2 343.902 4.439 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+]C/C=C\c2ccncc2)c2ccccc2)CC1 ZINC000486957906 1036921747 /nfs/dbraw/zinc/92/17/47/1036921747.db2.gz NADDBXILTIEZLN-QJKPHDSHSA-N 2 2 335.495 4.158 20 0 EIADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000271952221 1037060242 /nfs/dbraw/zinc/06/02/42/1037060242.db2.gz CCZNHDLRDIOZCE-YVWKXTFCSA-N 2 2 327.472 4.117 20 0 EIADLP C[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272564274 1037226113 /nfs/dbraw/zinc/22/61/13/1037226113.db2.gz OBIVPHCKSLJNQX-HNNXBMFYSA-N 2 2 328.422 4.187 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000573046127 1037236800 /nfs/dbraw/zinc/23/68/00/1037236800.db2.gz QSYGMHRDECEMFG-RVDMUPIBSA-N 2 2 337.389 4.327 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000573046127 1037236838 /nfs/dbraw/zinc/23/68/38/1037236838.db2.gz QSYGMHRDECEMFG-RVDMUPIBSA-N 2 2 337.389 4.327 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272656416 1037259095 /nfs/dbraw/zinc/25/90/95/1037259095.db2.gz LUIRDRAGOPTDCA-XYJFISCASA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272656416 1037259123 /nfs/dbraw/zinc/25/91/23/1037259123.db2.gz LUIRDRAGOPTDCA-XYJFISCASA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272923274 1037324825 /nfs/dbraw/zinc/32/48/25/1037324825.db2.gz RSEPHSNLSMOUGS-OAHLLOKOSA-N 2 2 328.422 4.105 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)n2c1CCCC2 ZINC000669714419 1037369124 /nfs/dbraw/zinc/36/91/24/1037369124.db2.gz LKUMGKHZJLDEMP-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)n2c1CCCC2 ZINC000669714419 1037369142 /nfs/dbraw/zinc/36/91/42/1037369142.db2.gz LKUMGKHZJLDEMP-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806812 1037691067 /nfs/dbraw/zinc/69/10/67/1037691067.db2.gz OHMIXJHFVPGTKS-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806812 1037691087 /nfs/dbraw/zinc/69/10/87/1037691087.db2.gz OHMIXJHFVPGTKS-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806812 1037691092 /nfs/dbraw/zinc/69/10/92/1037691092.db2.gz OHMIXJHFVPGTKS-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806812 1037691101 /nfs/dbraw/zinc/69/11/01/1037691101.db2.gz OHMIXJHFVPGTKS-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP CCc1ccc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503366812 1037710150 /nfs/dbraw/zinc/71/01/50/1037710150.db2.gz KKAOZYLQGLCMJA-FQEVSTJZSA-N 2 2 337.511 4.204 20 0 EIADLP CCc1ccc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503366812 1037710169 /nfs/dbraw/zinc/71/01/69/1037710169.db2.gz KKAOZYLQGLCMJA-FQEVSTJZSA-N 2 2 337.511 4.204 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442033 1037769623 /nfs/dbraw/zinc/76/96/23/1037769623.db2.gz QBHOKMAMZSNGHW-NQIIRXRSSA-N 2 2 349.522 4.204 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442033 1037769653 /nfs/dbraw/zinc/76/96/53/1037769653.db2.gz QBHOKMAMZSNGHW-NQIIRXRSSA-N 2 2 349.522 4.204 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422863351 1037848625 /nfs/dbraw/zinc/84/86/25/1037848625.db2.gz OUQPWJPPLJMMGB-VXKWHMMOSA-N 2 2 338.495 4.024 20 0 EIADLP Cc1sc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422878698 1037852319 /nfs/dbraw/zinc/85/23/19/1037852319.db2.gz UDQBRSQIERUCRC-QWRGUYRKSA-N 2 2 335.904 4.030 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422967255 1037880900 /nfs/dbraw/zinc/88/09/00/1037880900.db2.gz OTCKRCNGMFAORR-DHIUTWEWSA-N 3 2 349.522 4.153 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000423021338 1037907025 /nfs/dbraw/zinc/90/70/25/1037907025.db2.gz BSQOGMLTEZHZJL-SQNIBIBYSA-N 2 2 328.843 4.288 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055908 1037925049 /nfs/dbraw/zinc/92/50/49/1037925049.db2.gz DYQWRLHMAQFQKS-OASPWFOLSA-N 2 2 337.286 4.306 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000423076418 1037933657 /nfs/dbraw/zinc/93/36/57/1037933657.db2.gz ZCADWIJQZRTDGA-ZDUSSCGKSA-N 2 2 333.863 4.177 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236613 1038053063 /nfs/dbraw/zinc/05/30/63/1038053063.db2.gz OPBSGKWAQWECDH-XHDPSFHLSA-N 2 2 335.904 4.175 20 0 EIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423231654 1038070646 /nfs/dbraw/zinc/07/06/46/1038070646.db2.gz AWUFAVGDGZPZFN-QVKFZJNVSA-N 2 2 339.483 4.119 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000423252268 1038079714 /nfs/dbraw/zinc/07/97/14/1038079714.db2.gz XGVJTAJKOQVKFK-LAUBAEHRSA-N 2 2 325.500 4.206 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)sc1Br ZINC000423250722 1038080529 /nfs/dbraw/zinc/08/05/29/1038080529.db2.gz QXYPECZUPMIQRG-DGCLKSJQSA-N 2 2 339.302 4.170 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000606470926 1038094395 /nfs/dbraw/zinc/09/43/95/1038094395.db2.gz GBSLUUSJJOQIDH-UNMCSNQZSA-N 2 2 331.463 4.373 20 0 EIADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000423502098 1038257511 /nfs/dbraw/zinc/25/75/11/1038257511.db2.gz LTUZUQCJTBSEJY-QRWLVFNGSA-N 2 2 325.456 4.042 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423496134 1038264795 /nfs/dbraw/zinc/26/47/95/1038264795.db2.gz DIXBTRQTQVEGMK-GUYCJALGSA-N 2 2 325.481 4.209 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000423510499 1038268957 /nfs/dbraw/zinc/26/89/57/1038268957.db2.gz SJPORGLJEDSQHY-NHCUHLMSSA-N 2 2 344.474 4.145 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423517040 1038275586 /nfs/dbraw/zinc/27/55/86/1038275586.db2.gz YKRSPHMIFKZCTC-ZPMCFJSWSA-N 2 2 338.495 4.006 20 0 EIADLP CSc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069319 1038484399 /nfs/dbraw/zinc/48/43/99/1038484399.db2.gz BHEJDNPGIDJXTA-LJQANCHMSA-N 2 2 337.492 4.216 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OCCC(C)C)cc1)CCC2 ZINC000608067483 1038485499 /nfs/dbraw/zinc/48/54/99/1038485499.db2.gz DVJKVEHCDGSGHZ-LJQANCHMSA-N 2 2 341.499 4.284 20 0 EIADLP CCCOc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608076326 1038493417 /nfs/dbraw/zinc/49/34/17/1038493417.db2.gz ZHSYQYUDUMAPMK-OAQYLSRUSA-N 2 2 349.478 4.283 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000608074479 1038499526 /nfs/dbraw/zinc/49/95/26/1038499526.db2.gz SLZCRENSUNDDBU-FQEVSTJZSA-N 2 2 342.446 4.042 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424143831 1038641288 /nfs/dbraw/zinc/64/12/88/1038641288.db2.gz GKXVVRVGJADSCY-UHFFFAOYSA-N 2 2 326.488 4.105 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000149416718 1038794595 /nfs/dbraw/zinc/79/45/95/1038794595.db2.gz UHABJRTVQYKHQN-LBPRGKRZSA-N 2 2 343.284 4.113 20 0 EIADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1F ZINC000554952072 1038796879 /nfs/dbraw/zinc/79/68/79/1038796879.db2.gz ICIJTRCYAMQFQZ-GXTWGEPZSA-N 2 2 343.284 4.113 20 0 EIADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1F ZINC000554952072 1038796900 /nfs/dbraw/zinc/79/69/00/1038796900.db2.gz ICIJTRCYAMQFQZ-GXTWGEPZSA-N 2 2 343.284 4.113 20 0 EIADLP CSc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000554969257 1038809359 /nfs/dbraw/zinc/80/93/59/1038809359.db2.gz HYUCXXWLQBDFRH-UHFFFAOYSA-N 2 2 346.565 4.267 20 0 EIADLP CC[N@@H+](Cc1ccc(F)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615689 1038899084 /nfs/dbraw/zinc/89/90/84/1038899084.db2.gz AKJCMGPCKYQIJE-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[N@H+](Cc1ccc(F)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615689 1038899088 /nfs/dbraw/zinc/89/90/88/1038899088.db2.gz AKJCMGPCKYQIJE-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CCOc1ccc([C@@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc2)cc1 ZINC000539304419 1038971810 /nfs/dbraw/zinc/97/18/10/1038971810.db2.gz YSUMBUFWMSIDOK-QFIPXVFZSA-N 2 2 338.495 4.249 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000057681573 1038983244 /nfs/dbraw/zinc/98/32/44/1038983244.db2.gz QCHTVIYJGHDYBC-HNNXBMFYSA-N 2 2 334.410 4.015 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000057681573 1038983265 /nfs/dbraw/zinc/98/32/65/1038983265.db2.gz QCHTVIYJGHDYBC-HNNXBMFYSA-N 2 2 334.410 4.015 20 0 EIADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552086119 1039107182 /nfs/dbraw/zinc/10/71/82/1039107182.db2.gz YJVUIGYCIDWRHA-UHFFFAOYSA-N 2 2 336.520 4.434 20 0 EIADLP c1ccc(CSCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534173023 1039193689 /nfs/dbraw/zinc/19/36/89/1039193689.db2.gz SRCQHSUKBXLYLK-UHFFFAOYSA-N 2 2 341.524 4.281 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000090417324 1039222730 /nfs/dbraw/zinc/22/27/30/1039222730.db2.gz DRPHZRPSQGGOBB-CABCVRRESA-N 2 2 329.513 4.328 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000090418888 1039228524 /nfs/dbraw/zinc/22/85/24/1039228524.db2.gz MDTWJQSTAKJQGG-VKJFTORMSA-N 2 2 329.513 4.155 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000090418888 1039228539 /nfs/dbraw/zinc/22/85/39/1039228539.db2.gz MDTWJQSTAKJQGG-VKJFTORMSA-N 2 2 329.513 4.155 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000552256655 1039318825 /nfs/dbraw/zinc/31/88/25/1039318825.db2.gz WJTLDRFBMCGRFR-DOTOQJQBSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000552256655 1039318847 /nfs/dbraw/zinc/31/88/47/1039318847.db2.gz WJTLDRFBMCGRFR-DOTOQJQBSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256655 1039318870 /nfs/dbraw/zinc/31/88/70/1039318870.db2.gz WJTLDRFBMCGRFR-DOTOQJQBSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256655 1039318892 /nfs/dbraw/zinc/31/88/92/1039318892.db2.gz WJTLDRFBMCGRFR-DOTOQJQBSA-N 2 2 332.875 4.418 20 0 EIADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001168343877 1039353004 /nfs/dbraw/zinc/35/30/04/1039353004.db2.gz CPSNZMFVPFEUAJ-UHFFFAOYSA-N 2 2 329.875 4.387 20 0 EIADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)C2 ZINC001168343877 1039353020 /nfs/dbraw/zinc/35/30/20/1039353020.db2.gz CPSNZMFVPFEUAJ-UHFFFAOYSA-N 2 2 329.875 4.387 20 0 EIADLP c1coc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)c1 ZINC000121365590 1039370629 /nfs/dbraw/zinc/37/06/29/1039370629.db2.gz BRZCDJCBAJKFMB-OAQYLSRUSA-N 2 2 333.435 4.023 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000121805388 1039488367 /nfs/dbraw/zinc/48/83/67/1039488367.db2.gz NRZBOTJWEKREDA-GOSISDBHSA-N 2 2 334.891 4.079 20 0 EIADLP CCSc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000534497160 1039509039 /nfs/dbraw/zinc/50/90/39/1039509039.db2.gz LYDIFGBMCMGWFZ-HNNXBMFYSA-N 2 2 329.513 4.225 20 0 EIADLP CC(C)Cc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000514081858 1039576933 /nfs/dbraw/zinc/57/69/33/1039576933.db2.gz DMOAFXNJWQETSF-KRWDZBQOSA-N 2 2 325.500 4.311 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000514118246 1039646448 /nfs/dbraw/zinc/64/64/48/1039646448.db2.gz GSQRMIMSICQAMT-LJQANCHMSA-N 2 2 345.490 4.464 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000514118246 1039646459 /nfs/dbraw/zinc/64/64/59/1039646459.db2.gz GSQRMIMSICQAMT-LJQANCHMSA-N 2 2 345.490 4.464 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168354015 1039867022 /nfs/dbraw/zinc/86/70/22/1039867022.db2.gz XXCHXDGZKBRZEO-UHFFFAOYSA-N 2 2 346.824 4.323 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162892613 1039931888 /nfs/dbraw/zinc/93/18/88/1039931888.db2.gz IOUXVLRJNRRKEN-DLBZAZTESA-N 2 2 327.472 4.064 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000551087222 1039973019 /nfs/dbraw/zinc/97/30/19/1039973019.db2.gz NKZHCSCIHOQXRL-UHOSZYNNSA-N 2 2 342.870 4.199 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000551087222 1039973049 /nfs/dbraw/zinc/97/30/49/1039973049.db2.gz NKZHCSCIHOQXRL-UHOSZYNNSA-N 2 2 342.870 4.199 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000514636167 1040071037 /nfs/dbraw/zinc/07/10/37/1040071037.db2.gz PRQFVLIDRGBFJM-INIZCTEOSA-N 2 2 344.462 4.185 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)cc1 ZINC000282695373 1040071854 /nfs/dbraw/zinc/07/18/54/1040071854.db2.gz KPEYEWMLYYFWTP-CQSZACIVSA-N 2 2 340.858 4.388 20 0 EIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000482246519 1040091493 /nfs/dbraw/zinc/09/14/93/1040091493.db2.gz SLCGCMDYGUOTBI-QGZVFWFLSA-N 2 2 327.472 4.412 20 0 EIADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000482246517 1040092580 /nfs/dbraw/zinc/09/25/80/1040092580.db2.gz SLCGCMDYGUOTBI-KRWDZBQOSA-N 2 2 327.472 4.412 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246121 1040094990 /nfs/dbraw/zinc/09/49/90/1040094990.db2.gz KFLUUELSKIQRLP-IITNATTFSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246121 1040095009 /nfs/dbraw/zinc/09/50/09/1040095009.db2.gz KFLUUELSKIQRLP-IITNATTFSA-N 2 2 349.522 4.075 20 0 EIADLP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487941 1040349425 /nfs/dbraw/zinc/34/94/25/1040349425.db2.gz MIKXVVQYRIQUBK-OAQYLSRUSA-N 2 2 348.450 4.003 20 0 EIADLP CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487941 1040349438 /nfs/dbraw/zinc/34/94/38/1040349438.db2.gz MIKXVVQYRIQUBK-OAQYLSRUSA-N 2 2 348.450 4.003 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435437084 1040389171 /nfs/dbraw/zinc/38/91/71/1040389171.db2.gz IWWFJTZFNZROSL-OAHLLOKOSA-N 2 2 349.931 4.025 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC000435437084 1040389184 /nfs/dbraw/zinc/38/91/84/1040389184.db2.gz IWWFJTZFNZROSL-OAHLLOKOSA-N 2 2 349.931 4.025 20 0 EIADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479499023 1040409074 /nfs/dbraw/zinc/40/90/74/1040409074.db2.gz HEKFCDKCNXVAPL-VRLRAXNCSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)(F)F ZINC000479528038 1040427855 /nfs/dbraw/zinc/42/78/55/1040427855.db2.gz ORXBAMWEQGVHON-NFOMZHRRSA-N 2 2 342.405 4.253 20 0 EIADLP COc1ccc2oc([C@@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)c(C)c2c1 ZINC000479518779 1040436671 /nfs/dbraw/zinc/43/66/71/1040436671.db2.gz SEUKBQMJDJDRSH-KLAILNCOSA-N 2 2 342.483 4.417 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479546479 1040450167 /nfs/dbraw/zinc/45/01/67/1040450167.db2.gz UMCCHBPHIKLURE-FAFZWHIHSA-N 2 2 348.918 4.469 20 0 EIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000479548724 1040452225 /nfs/dbraw/zinc/45/22/25/1040452225.db2.gz XWUGRYLYYDOYGB-FHERZECASA-N 2 2 338.442 4.264 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(C)(C)c1ccccc1)CCC2 ZINC000539496636 1040489385 /nfs/dbraw/zinc/48/93/85/1040489385.db2.gz PVCXJGMEBDMPDN-FUHWJXTLSA-N 2 2 325.500 4.415 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000482797725 1040493187 /nfs/dbraw/zinc/49/31/87/1040493187.db2.gz GDNRGOQFXQYDHH-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP Cc1cc(C)cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539660051 1040664575 /nfs/dbraw/zinc/66/45/75/1040664575.db2.gz SSRCGBNKODIHDR-FXAWDEMLSA-N 2 2 338.499 4.012 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cn1 ZINC000515401777 1040730667 /nfs/dbraw/zinc/73/06/67/1040730667.db2.gz ARJWHTGJXMKFBB-QGZVFWFLSA-N 2 2 336.439 4.201 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247785 1040783275 /nfs/dbraw/zinc/78/32/75/1040783275.db2.gz YLHPHEHXKIPWDO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247785 1040783283 /nfs/dbraw/zinc/78/32/83/1040783283.db2.gz YLHPHEHXKIPWDO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247785 1040783309 /nfs/dbraw/zinc/78/33/09/1040783309.db2.gz YLHPHEHXKIPWDO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483247785 1040783330 /nfs/dbraw/zinc/78/33/30/1040783330.db2.gz YLHPHEHXKIPWDO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818832 1040811583 /nfs/dbraw/zinc/81/15/83/1040811583.db2.gz BALHBGYCQXLVHN-UONOGXRCSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818832 1040811590 /nfs/dbraw/zinc/81/15/90/1040811590.db2.gz BALHBGYCQXLVHN-UONOGXRCSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818832 1040811593 /nfs/dbraw/zinc/81/15/93/1040811593.db2.gz BALHBGYCQXLVHN-UONOGXRCSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818832 1040811601 /nfs/dbraw/zinc/81/16/01/1040811601.db2.gz BALHBGYCQXLVHN-UONOGXRCSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819387 1040814078 /nfs/dbraw/zinc/81/40/78/1040814078.db2.gz CPOPROBYFOXWBJ-WBMJQRKESA-N 2 2 345.314 4.164 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819387 1040814079 /nfs/dbraw/zinc/81/40/79/1040814079.db2.gz CPOPROBYFOXWBJ-WBMJQRKESA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819387 1040814080 /nfs/dbraw/zinc/81/40/80/1040814080.db2.gz CPOPROBYFOXWBJ-WBMJQRKESA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819387 1040814084 /nfs/dbraw/zinc/81/40/84/1040814084.db2.gz CPOPROBYFOXWBJ-WBMJQRKESA-N 2 2 345.314 4.164 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851563 1040841015 /nfs/dbraw/zinc/84/10/15/1040841015.db2.gz UIXMBSLGSQSARS-INIZCTEOSA-N 2 2 332.488 4.328 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851563 1040841018 /nfs/dbraw/zinc/84/10/18/1040841018.db2.gz UIXMBSLGSQSARS-INIZCTEOSA-N 2 2 332.488 4.328 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851563 1040841021 /nfs/dbraw/zinc/84/10/21/1040841021.db2.gz UIXMBSLGSQSARS-INIZCTEOSA-N 2 2 332.488 4.328 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851563 1040841023 /nfs/dbraw/zinc/84/10/23/1040841023.db2.gz UIXMBSLGSQSARS-INIZCTEOSA-N 2 2 332.488 4.328 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1)CCC2 ZINC000483444489 1040861565 /nfs/dbraw/zinc/86/15/65/1040861565.db2.gz FTLSARLIGQGWIN-HKUYNNGSSA-N 2 2 341.499 4.455 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CCc1ccccc1)C(C)C)CCC2 ZINC000483457724 1040865223 /nfs/dbraw/zinc/86/52/23/1040865223.db2.gz AMAVCUNXXWRXGA-VQTJNVASSA-N 2 2 325.500 4.316 20 0 EIADLP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000515557664 1040865546 /nfs/dbraw/zinc/86/55/46/1040865546.db2.gz YWWFALBORGHQAA-QGZVFWFLSA-N 2 2 337.442 4.181 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc2ccccc12 ZINC000483478405 1040872680 /nfs/dbraw/zinc/87/26/80/1040872680.db2.gz UAVANHZSCMMICR-HNAYVOBHSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc2ccccc12 ZINC000483478405 1040872689 /nfs/dbraw/zinc/87/26/89/1040872689.db2.gz UAVANHZSCMMICR-HNAYVOBHSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478405 1040872696 /nfs/dbraw/zinc/87/26/96/1040872696.db2.gz UAVANHZSCMMICR-HNAYVOBHSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478405 1040872703 /nfs/dbraw/zinc/87/27/03/1040872703.db2.gz UAVANHZSCMMICR-HNAYVOBHSA-N 2 2 343.902 4.113 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(F)c1 ZINC000483546051 1040888954 /nfs/dbraw/zinc/88/89/54/1040888954.db2.gz REDYCXHSARZEPN-CVEARBPZSA-N 2 2 339.414 4.130 20 0 EIADLP COc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC000483604248 1040908592 /nfs/dbraw/zinc/90/85/92/1040908592.db2.gz GRRZOQQUQAQAPE-FQEVSTJZSA-N 2 2 347.462 4.179 20 0 EIADLP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC000483604248 1040908618 /nfs/dbraw/zinc/90/86/18/1040908618.db2.gz GRRZOQQUQAQAPE-FQEVSTJZSA-N 2 2 347.462 4.179 20 0 EIADLP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC000483604250 1040909876 /nfs/dbraw/zinc/90/98/76/1040909876.db2.gz GRRZOQQUQAQAPE-HXUWFJFHSA-N 2 2 347.462 4.179 20 0 EIADLP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC000483604250 1040909887 /nfs/dbraw/zinc/90/98/87/1040909887.db2.gz GRRZOQQUQAQAPE-HXUWFJFHSA-N 2 2 347.462 4.179 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851649 1040912497 /nfs/dbraw/zinc/91/24/97/1040912497.db2.gz SXKJQYPRRKARMV-HNAYVOBHSA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851649 1040912513 /nfs/dbraw/zinc/91/25/13/1040912513.db2.gz SXKJQYPRRKARMV-HNAYVOBHSA-N 2 2 343.540 4.403 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000669851254 1040917575 /nfs/dbraw/zinc/91/75/75/1040917575.db2.gz ZGGLLVGPUCRKQV-OAHLLOKOSA-N 2 2 332.488 4.245 20 0 EIADLP c1ccc(N2CCC([NH2+]Cc3ccc(C4CCCC4)cc3)CC2)[nH+]c1 ZINC000462790002 1040937185 /nfs/dbraw/zinc/93/71/85/1040937185.db2.gz MBNNOEFRNVOIFQ-UHFFFAOYSA-N 2 2 335.495 4.498 20 0 EIADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000480082861 1040937652 /nfs/dbraw/zinc/93/76/52/1040937652.db2.gz GTIQOVXBTMSKJN-AEFFLSMTSA-N 2 2 334.504 4.009 20 0 EIADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000480082861 1040937671 /nfs/dbraw/zinc/93/76/71/1040937671.db2.gz GTIQOVXBTMSKJN-AEFFLSMTSA-N 2 2 334.504 4.009 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537980877 1040951268 /nfs/dbraw/zinc/95/12/68/1040951268.db2.gz OIJARRVZJYUPQN-BVYCBKJFSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537980877 1040951292 /nfs/dbraw/zinc/95/12/92/1040951292.db2.gz OIJARRVZJYUPQN-BVYCBKJFSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000554317860 1040980891 /nfs/dbraw/zinc/98/08/91/1040980891.db2.gz LTVNJNOASMAPJL-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000554317860 1040980913 /nfs/dbraw/zinc/98/09/13/1040980913.db2.gz LTVNJNOASMAPJL-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317860 1040980934 /nfs/dbraw/zinc/98/09/34/1040980934.db2.gz LTVNJNOASMAPJL-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317860 1040980955 /nfs/dbraw/zinc/98/09/55/1040980955.db2.gz LTVNJNOASMAPJL-OXQOHEQNSA-N 2 2 343.902 4.220 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000436280905 1041028044 /nfs/dbraw/zinc/02/80/44/1041028044.db2.gz LWESHEBMGMRTJG-OFNKIYASSA-N 2 2 345.490 4.432 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2ccccc2n1 ZINC000480171296 1041030719 /nfs/dbraw/zinc/03/07/19/1041030719.db2.gz QIBFEPPDRODURB-GOSISDBHSA-N 2 2 333.479 4.408 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2ccccc2n1 ZINC000480171296 1041030731 /nfs/dbraw/zinc/03/07/31/1041030731.db2.gz QIBFEPPDRODURB-GOSISDBHSA-N 2 2 333.479 4.408 20 0 EIADLP Cc1cc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)ccc1F ZINC000538098355 1041049432 /nfs/dbraw/zinc/04/94/32/1041049432.db2.gz FPKNTIQHPUZBNF-FQEVSTJZSA-N 2 2 327.447 4.462 20 0 EIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000540149874 1041194053 /nfs/dbraw/zinc/19/40/53/1041194053.db2.gz BFFHUPIEYYSMHB-QMMLZNLJSA-N 2 2 329.532 4.411 20 0 EIADLP CCCC[C@@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540152695 1041201200 /nfs/dbraw/zinc/20/12/00/1041201200.db2.gz MMTZMZHCKYQMSD-ICSRJNTNSA-N 2 2 329.488 4.036 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCCn1cc[nH+]c1 ZINC000554553018 1041237901 /nfs/dbraw/zinc/23/79/01/1041237901.db2.gz BAEUUJYONQESFT-NTCAYCPXSA-N 2 2 337.389 4.375 20 0 EIADLP CC(C)C1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000463187851 1041417394 /nfs/dbraw/zinc/41/73/94/1041417394.db2.gz FBFUDBTXSHQDTD-UHFFFAOYSA-N 2 2 334.470 4.455 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000554890511 1041475092 /nfs/dbraw/zinc/47/50/92/1041475092.db2.gz ZOMKCSTUCRJKNY-FCHUYYIVSA-N 2 2 331.463 4.357 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cccc1OCC ZINC000538718799 1041487945 /nfs/dbraw/zinc/48/79/45/1041487945.db2.gz OKBDZLBUNZIYGN-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cccc1OCC ZINC000538718799 1041487948 /nfs/dbraw/zinc/48/79/48/1041487948.db2.gz OKBDZLBUNZIYGN-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cccc1OCC ZINC000538718799 1041487951 /nfs/dbraw/zinc/48/79/51/1041487951.db2.gz OKBDZLBUNZIYGN-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cccc1OCC ZINC000538718799 1041487956 /nfs/dbraw/zinc/48/79/56/1041487956.db2.gz OKBDZLBUNZIYGN-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722298 1041493029 /nfs/dbraw/zinc/49/30/29/1041493029.db2.gz IOSUVVXGKOUWLU-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722298 1041493040 /nfs/dbraw/zinc/49/30/40/1041493040.db2.gz IOSUVVXGKOUWLU-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722298 1041493048 /nfs/dbraw/zinc/49/30/48/1041493048.db2.gz IOSUVVXGKOUWLU-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722298 1041493054 /nfs/dbraw/zinc/49/30/54/1041493054.db2.gz IOSUVVXGKOUWLU-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732817 1041504432 /nfs/dbraw/zinc/50/44/32/1041504432.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732817 1041504442 /nfs/dbraw/zinc/50/44/42/1041504442.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732817 1041504458 /nfs/dbraw/zinc/50/44/58/1041504458.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732817 1041504473 /nfs/dbraw/zinc/50/44/73/1041504473.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732817 1041504478 /nfs/dbraw/zinc/50/44/78/1041504478.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732817 1041504492 /nfs/dbraw/zinc/50/44/92/1041504492.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732817 1041504506 /nfs/dbraw/zinc/50/45/06/1041504506.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732817 1041504516 /nfs/dbraw/zinc/50/45/16/1041504516.db2.gz VCQUWAALENFUEV-XLIONFOSSA-N 2 2 348.494 4.048 20 0 EIADLP CCC[C@@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000540614639 1041564925 /nfs/dbraw/zinc/56/49/25/1041564925.db2.gz WEDXPKRPKPVJPE-IBGZPJMESA-N 2 2 332.532 4.049 20 0 EIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000540821643 1041689123 /nfs/dbraw/zinc/68/91/23/1041689123.db2.gz SCQCGHLWPQEEFW-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000540821643 1041689127 /nfs/dbraw/zinc/68/91/27/1041689127.db2.gz SCQCGHLWPQEEFW-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915756 1041737787 /nfs/dbraw/zinc/73/77/87/1041737787.db2.gz UBRWYNGRVXGNLN-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915756 1041737797 /nfs/dbraw/zinc/73/77/97/1041737797.db2.gz UBRWYNGRVXGNLN-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791072 /nfs/dbraw/zinc/79/10/72/1041791072.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791075 /nfs/dbraw/zinc/79/10/75/1041791075.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791081 /nfs/dbraw/zinc/79/10/81/1041791081.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791101 /nfs/dbraw/zinc/79/11/01/1041791101.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201571 1041843738 /nfs/dbraw/zinc/84/37/38/1041843738.db2.gz RJMDEMNQDNUBCQ-INIZCTEOSA-N 2 2 344.503 4.422 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c2ccccc21 ZINC000517044780 1041851688 /nfs/dbraw/zinc/85/16/88/1041851688.db2.gz IJJGSNFHKODRKI-HNNXBMFYSA-N 2 2 337.442 4.405 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000541388829 1041912434 /nfs/dbraw/zinc/91/24/34/1041912434.db2.gz CRRRFDONPHHZGZ-UHFFFAOYSA-N 2 2 347.249 4.172 20 0 EIADLP COc1ccccc1CC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541541859 1041989624 /nfs/dbraw/zinc/98/96/24/1041989624.db2.gz ULWGMCAFRAOZJJ-UHFFFAOYSA-N 2 2 341.480 4.053 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC(C)(C)CC3)CC2)cc1 ZINC000237141079 1042428346 /nfs/dbraw/zinc/42/83/46/1042428346.db2.gz CKRQKSROOJAZGF-UHFFFAOYSA-N 2 2 329.532 4.280 20 0 EIADLP Clc1ccccc1-c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000518263386 1042439235 /nfs/dbraw/zinc/43/92/35/1042439235.db2.gz LZFDJBZAKUZWGC-UHFFFAOYSA-N 2 2 329.831 4.367 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000426330905 1042567627 /nfs/dbraw/zinc/56/76/27/1042567627.db2.gz OSRQVBYQPFXBIY-CRAIPNDOSA-N 2 2 333.520 4.068 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945640 1042723003 /nfs/dbraw/zinc/72/30/03/1042723003.db2.gz AMXDBGJNVWVNHJ-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945640 1042723010 /nfs/dbraw/zinc/72/30/10/1042723010.db2.gz AMXDBGJNVWVNHJ-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945640 1042723018 /nfs/dbraw/zinc/72/30/18/1042723018.db2.gz AMXDBGJNVWVNHJ-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945640 1042723025 /nfs/dbraw/zinc/72/30/25/1042723025.db2.gz AMXDBGJNVWVNHJ-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1Cl ZINC001167965484 1042798217 /nfs/dbraw/zinc/79/82/17/1042798217.db2.gz HJMLBZSPKJLPOP-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1Cl ZINC001167965484 1042798222 /nfs/dbraw/zinc/79/82/22/1042798222.db2.gz HJMLBZSPKJLPOP-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cl ZINC000177205970 1042830989 /nfs/dbraw/zinc/83/09/89/1042830989.db2.gz NNYBODSVFOKPDN-INIZCTEOSA-N 2 2 339.870 4.478 20 0 EIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000170986937 1042911562 /nfs/dbraw/zinc/91/15/62/1042911562.db2.gz NREAYQVSLQTKCR-UHFFFAOYSA-N 2 2 338.495 4.228 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCC(C(F)(F)F)CC2)CC1 ZINC000895110779 1043019580 /nfs/dbraw/zinc/01/95/80/1043019580.db2.gz XGNLZLYIMSDMBJ-DHAXNPMCSA-N 2 2 341.421 4.279 20 0 EIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCS2 ZINC000427721228 1043178675 /nfs/dbraw/zinc/17/86/75/1043178675.db2.gz PUBVGGBLMBTJBV-KRWDZBQOSA-N 2 2 327.497 4.327 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3CCC[C@H](C)C3)CCCC2)no1 ZINC000507952400 1043208522 /nfs/dbraw/zinc/20/85/22/1043208522.db2.gz QWHQHTNFAJVAFA-IRXDYDNUSA-N 2 2 348.535 4.097 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)cc1 ZINC000427838971 1043233231 /nfs/dbraw/zinc/23/32/31/1043233231.db2.gz CSIOYQKCFPDZLJ-FUHWJXTLSA-N 2 2 333.435 4.341 20 0 EIADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(C)cc2)cc1 ZINC000427879119 1043235240 /nfs/dbraw/zinc/23/52/40/1043235240.db2.gz BMIPZURPIJXLGW-YADHBBJMSA-N 2 2 345.490 4.388 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)CC2 ZINC000427871608 1043241673 /nfs/dbraw/zinc/24/16/73/1043241673.db2.gz LEFAREZLRUFHDJ-FCHUYYIVSA-N 2 2 345.490 4.032 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884812 1043248926 /nfs/dbraw/zinc/24/89/26/1043248926.db2.gz HGQPITDTQCEOKE-UYAOXDASSA-N 2 2 337.854 4.231 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCc2cccc3ccccc32)s1 ZINC000347861363 1043249895 /nfs/dbraw/zinc/24/98/95/1043249895.db2.gz VGJGPDWPHZWXGE-UHFFFAOYSA-N 2 2 339.508 4.032 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCc2cccc3ccccc32)s1 ZINC000347861363 1043249902 /nfs/dbraw/zinc/24/99/02/1043249902.db2.gz VGJGPDWPHZWXGE-UHFFFAOYSA-N 2 2 339.508 4.032 20 0 EIADLP C[C@H](CC[N@@H+]1CCc2ccsc2C1)[NH+]1CCc2ccsc2C1 ZINC000534864308 1043299590 /nfs/dbraw/zinc/29/95/90/1043299590.db2.gz DKOLGQAHLYEQCH-CQSZACIVSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@H](CC[N@H+]1CCc2ccsc2C1)[NH+]1CCc2ccsc2C1 ZINC000534864308 1043299603 /nfs/dbraw/zinc/29/96/03/1043299603.db2.gz DKOLGQAHLYEQCH-CQSZACIVSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@H](CC[NH+]1CCc2ccsc2C1)[N@@H+]1CCc2ccsc2C1 ZINC000534864308 1043299611 /nfs/dbraw/zinc/29/96/11/1043299611.db2.gz DKOLGQAHLYEQCH-CQSZACIVSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@H](CC[NH+]1CCc2ccsc2C1)[N@H+]1CCc2ccsc2C1 ZINC000534864308 1043299620 /nfs/dbraw/zinc/29/96/20/1043299620.db2.gz DKOLGQAHLYEQCH-CQSZACIVSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000186984309 1043321031 /nfs/dbraw/zinc/32/10/31/1043321031.db2.gz TVHVRCDAGWIZQN-CYBMUJFWSA-N 2 2 335.854 4.228 20 0 EIADLP FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000674045129 1043345555 /nfs/dbraw/zinc/34/55/55/1043345555.db2.gz FVBFPWVBNMGAHU-WBVHZDCISA-N 2 2 337.389 4.331 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479626 1043385543 /nfs/dbraw/zinc/38/55/43/1043385543.db2.gz VYJCMLZZIVLIDK-DYESRHJHSA-N 2 2 341.474 4.164 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479626 1043385555 /nfs/dbraw/zinc/38/55/55/1043385555.db2.gz VYJCMLZZIVLIDK-DYESRHJHSA-N 2 2 341.474 4.164 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000428234967 1043398796 /nfs/dbraw/zinc/39/87/96/1043398796.db2.gz FNDPSIZSMQRBJN-LJQANCHMSA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000428234967 1043398806 /nfs/dbraw/zinc/39/88/06/1043398806.db2.gz FNDPSIZSMQRBJN-LJQANCHMSA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428234967 1043398814 /nfs/dbraw/zinc/39/88/14/1043398814.db2.gz FNDPSIZSMQRBJN-LJQANCHMSA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428234967 1043398819 /nfs/dbraw/zinc/39/88/19/1043398819.db2.gz FNDPSIZSMQRBJN-LJQANCHMSA-N 2 2 341.499 4.060 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC001168013737 1043664515 /nfs/dbraw/zinc/66/45/15/1043664515.db2.gz IYTDXOCYFHABTD-CLWJZODNSA-N 2 2 341.474 4.313 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC001168013737 1043664535 /nfs/dbraw/zinc/66/45/35/1043664535.db2.gz IYTDXOCYFHABTD-CLWJZODNSA-N 2 2 341.474 4.313 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(CCCn3cc[nH+]c3)CC1)CC2 ZINC000543060328 1043700579 /nfs/dbraw/zinc/70/05/79/1043700579.db2.gz GHSLHDIBFJOHCI-FQEVSTJZSA-N 2 2 327.447 4.202 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000521318440 1043708253 /nfs/dbraw/zinc/70/82/53/1043708253.db2.gz ZRXHJFNPBDQXDO-NFBKMPQASA-N 2 2 345.490 4.432 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000442850553 1043858635 /nfs/dbraw/zinc/85/86/35/1043858635.db2.gz IOQRPEOOWSZPCT-CTWPCTMYSA-N 2 2 336.470 4.311 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000442850553 1043858638 /nfs/dbraw/zinc/85/86/38/1043858638.db2.gz IOQRPEOOWSZPCT-CTWPCTMYSA-N 2 2 336.470 4.311 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000701978445 1043863545 /nfs/dbraw/zinc/86/35/45/1043863545.db2.gz JGEZGOSKRZITSC-QFBILLFUSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000701978445 1043863547 /nfs/dbraw/zinc/86/35/47/1043863547.db2.gz JGEZGOSKRZITSC-QFBILLFUSA-N 2 2 329.513 4.014 20 0 EIADLP CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000192153044 1043882029 /nfs/dbraw/zinc/88/20/29/1043882029.db2.gz CNXLGPCEERECBI-QGZVFWFLSA-N 2 2 335.451 4.430 20 0 EIADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208727 1043883800 /nfs/dbraw/zinc/88/38/00/1043883800.db2.gz DMPNKQXYUXPJPH-HMFYCAOWSA-N 2 2 347.462 4.223 20 0 EIADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208727 1043883803 /nfs/dbraw/zinc/88/38/03/1043883803.db2.gz DMPNKQXYUXPJPH-HMFYCAOWSA-N 2 2 347.462 4.223 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000766083108 1043962632 /nfs/dbraw/zinc/96/26/32/1043962632.db2.gz WMGVBTJPRKWSMO-CBQOVEMMSA-N 2 2 337.511 4.421 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000766083108 1043962653 /nfs/dbraw/zinc/96/26/53/1043962653.db2.gz WMGVBTJPRKWSMO-CBQOVEMMSA-N 2 2 337.511 4.421 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1C)CCC2 ZINC000443010094 1043966462 /nfs/dbraw/zinc/96/64/62/1043966462.db2.gz ALKSZADLZCDEDD-OAHLLOKOSA-N 2 2 337.389 4.186 20 0 EIADLP C[N@H+](CCOc1cccc(Cl)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544350431 1044082234 /nfs/dbraw/zinc/08/22/34/1044082234.db2.gz BVXYKOWEZLIWET-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544350431 1044082242 /nfs/dbraw/zinc/08/22/42/1044082242.db2.gz BVXYKOWEZLIWET-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000443221894 1044108133 /nfs/dbraw/zinc/10/81/33/1044108133.db2.gz MLGOGRMVKSQVIS-RYGJVYDSSA-N 2 2 346.490 4.282 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cccc(Cl)n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018164 1044320138 /nfs/dbraw/zinc/32/01/38/1044320138.db2.gz YUBJRCBIKSYUSO-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168018729 1044333703 /nfs/dbraw/zinc/33/37/03/1044333703.db2.gz DCNDWEHIFDWQQH-KURKYZTESA-N 2 2 330.516 4.165 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168018851 1044336598 /nfs/dbraw/zinc/33/65/98/1044336598.db2.gz FUNXSTFNPBQHMD-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168018851 1044336612 /nfs/dbraw/zinc/33/66/12/1044336612.db2.gz FUNXSTFNPBQHMD-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000766192902 1044400953 /nfs/dbraw/zinc/40/09/53/1044400953.db2.gz XQLMNRGKHADQKP-WSTZPKSXSA-N 2 2 341.543 4.280 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400627 1044517612 /nfs/dbraw/zinc/51/76/12/1044517612.db2.gz HLIJUDGVFWGVHC-DYESRHJHSA-N 2 2 341.474 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400627 1044517628 /nfs/dbraw/zinc/51/76/28/1044517628.db2.gz HLIJUDGVFWGVHC-DYESRHJHSA-N 2 2 341.474 4.020 20 0 EIADLP CCOc1ccc([C@@H](CC)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1OCC ZINC000675833491 1044520225 /nfs/dbraw/zinc/52/02/25/1044520225.db2.gz KRUMSXBYLNEQSN-RBUKOAKNSA-N 2 2 346.515 4.009 20 0 EIADLP CCOc1ccc([C@@H](CC)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1OCC ZINC000675833491 1044520242 /nfs/dbraw/zinc/52/02/42/1044520242.db2.gz KRUMSXBYLNEQSN-RBUKOAKNSA-N 2 2 346.515 4.009 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000675921536 1044563464 /nfs/dbraw/zinc/56/34/64/1044563464.db2.gz YHNKYNKDTZWQFT-LEWJYISDSA-N 2 2 331.463 4.371 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000675924247 1044565850 /nfs/dbraw/zinc/56/58/50/1044565850.db2.gz WUCBPMOAHXSPRL-UXHICEINSA-N 2 2 335.426 4.120 20 0 EIADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675926378 1044568704 /nfs/dbraw/zinc/56/87/04/1044568704.db2.gz VYYKVPYQWCZVOF-GOSISDBHSA-N 2 2 334.891 4.160 20 0 EIADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203155 1044787214 /nfs/dbraw/zinc/78/72/14/1044787214.db2.gz UVQRITFALGIGBB-KDOFPFPSSA-N 2 2 330.859 4.126 20 0 EIADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203155 1044787237 /nfs/dbraw/zinc/78/72/37/1044787237.db2.gz UVQRITFALGIGBB-KDOFPFPSSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203155 1044787248 /nfs/dbraw/zinc/78/72/48/1044787248.db2.gz UVQRITFALGIGBB-KDOFPFPSSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203155 1044787275 /nfs/dbraw/zinc/78/72/75/1044787275.db2.gz UVQRITFALGIGBB-KDOFPFPSSA-N 2 2 330.859 4.126 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC001168485473 1044876388 /nfs/dbraw/zinc/87/63/88/1044876388.db2.gz GAMFGWMESOSCKU-KNQAVFIVSA-N 2 2 347.462 4.130 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000474467390 1045017436 /nfs/dbraw/zinc/01/74/36/1045017436.db2.gz DYHCUKCINPWGOU-BZUAXINKSA-N 2 2 331.529 4.110 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000474467390 1045017451 /nfs/dbraw/zinc/01/74/51/1045017451.db2.gz DYHCUKCINPWGOU-BZUAXINKSA-N 2 2 331.529 4.110 20 0 EIADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749302 1045180025 /nfs/dbraw/zinc/18/00/25/1045180025.db2.gz TZEZWKWXHHGEFM-KBPBESRZSA-N 2 2 348.406 4.131 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749304 1045180553 /nfs/dbraw/zinc/18/05/53/1045180553.db2.gz TZEZWKWXHHGEFM-UONOGXRCSA-N 2 2 348.406 4.131 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000551175234 1045211083 /nfs/dbraw/zinc/21/10/83/1045211083.db2.gz IVZANWZBRQSDOL-LSTHTHJFSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000551175234 1045211096 /nfs/dbraw/zinc/21/10/96/1045211096.db2.gz IVZANWZBRQSDOL-LSTHTHJFSA-N 2 2 340.442 4.074 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000487304843 1045225787 /nfs/dbraw/zinc/22/57/87/1045225787.db2.gz AXWOOCZIDYKDKT-YJBOKZPZSA-N 2 2 341.524 4.163 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000487304843 1045225798 /nfs/dbraw/zinc/22/57/98/1045225798.db2.gz AXWOOCZIDYKDKT-YJBOKZPZSA-N 2 2 341.524 4.163 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237488828 1045387071 /nfs/dbraw/zinc/38/70/71/1045387071.db2.gz RQIFXLXVCGONAH-XMSQKQJNSA-N 2 2 338.495 4.140 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000237570472 1045389169 /nfs/dbraw/zinc/38/91/69/1045389169.db2.gz AFCHLZTVEBAYHW-UWJYYQICSA-N 2 2 338.495 4.466 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000237665121 1045392388 /nfs/dbraw/zinc/39/23/88/1045392388.db2.gz AFCHLZTVEBAYHW-LAUBAEHRSA-N 2 2 338.495 4.466 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cc1F ZINC000153705936 1045454837 /nfs/dbraw/zinc/45/48/37/1045454837.db2.gz NJXFUMRXQJMCNV-LBPRGKRZSA-N 2 2 344.821 4.219 20 0 EIADLP Clc1cc2c(s1)CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000316788061 1045454843 /nfs/dbraw/zinc/45/48/43/1045454843.db2.gz HCVUZDYOVODJGP-CQSZACIVSA-N 2 2 333.888 4.042 20 0 EIADLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccs1)C2 ZINC001279166677 1045457765 /nfs/dbraw/zinc/45/77/65/1045457765.db2.gz BTOFBEVBPRTFAZ-GOSISDBHSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccs1)C2 ZINC001279166677 1045457774 /nfs/dbraw/zinc/45/77/74/1045457774.db2.gz BTOFBEVBPRTFAZ-GOSISDBHSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC001279166677 1045457777 /nfs/dbraw/zinc/45/77/77/1045457777.db2.gz BTOFBEVBPRTFAZ-GOSISDBHSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC001279166677 1045457782 /nfs/dbraw/zinc/45/77/82/1045457782.db2.gz BTOFBEVBPRTFAZ-GOSISDBHSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000768094088 1045710417 /nfs/dbraw/zinc/71/04/17/1045710417.db2.gz TXBZOXCTVNEMBO-LBPRGKRZSA-N 2 2 344.821 4.219 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247123235 1045841379 /nfs/dbraw/zinc/84/13/79/1045841379.db2.gz RFTIWVPMOVTUCU-RBUKOAKNSA-N 3 2 340.515 4.178 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247123235 1045841384 /nfs/dbraw/zinc/84/13/84/1045841384.db2.gz RFTIWVPMOVTUCU-RBUKOAKNSA-N 3 2 340.515 4.178 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000249181992 1045895426 /nfs/dbraw/zinc/89/54/26/1045895426.db2.gz IRENOTPKTMAFJV-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000249181992 1045895432 /nfs/dbraw/zinc/89/54/32/1045895432.db2.gz IRENOTPKTMAFJV-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384129 1045943010 /nfs/dbraw/zinc/94/30/10/1045943010.db2.gz LCRUFSANKXYWCA-IIBYNOLFSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384129 1045942990 /nfs/dbraw/zinc/94/29/90/1045942990.db2.gz LCRUFSANKXYWCA-IIBYNOLFSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384129 1045942999 /nfs/dbraw/zinc/94/29/99/1045942999.db2.gz LCRUFSANKXYWCA-IIBYNOLFSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384129 1045943020 /nfs/dbraw/zinc/94/30/20/1045943020.db2.gz LCRUFSANKXYWCA-IIBYNOLFSA-N 2 2 326.484 4.381 20 0 EIADLP CCC[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680324 1046275732 /nfs/dbraw/zinc/27/57/32/1046275732.db2.gz UZXDRDUSTFLBHO-QUCCMNQESA-N 2 2 325.500 4.259 20 0 EIADLP CCC[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680324 1046275754 /nfs/dbraw/zinc/27/57/54/1046275754.db2.gz UZXDRDUSTFLBHO-QUCCMNQESA-N 2 2 325.500 4.259 20 0 EIADLP c1cn(C2CC[NH+](Cc3cnc(C4CCCCC4)s3)CC2)c[nH+]1 ZINC000536654037 1046597728 /nfs/dbraw/zinc/59/77/28/1046597728.db2.gz GJAURLIQQVDUIW-UHFFFAOYSA-N 2 2 330.501 4.224 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C)ccc1OC ZINC000772444721 1046638395 /nfs/dbraw/zinc/63/83/95/1046638395.db2.gz MXYLTPAHTVCTGR-MJGOQNOKSA-N 2 2 329.488 4.356 20 0 EIADLP Cc1cc(F)c(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(Cl)c1 ZINC000459416946 1046641838 /nfs/dbraw/zinc/64/18/38/1046641838.db2.gz UEBAPWQUYUOZRX-UHFFFAOYSA-N 2 2 338.829 4.278 20 0 EIADLP c1ccc(OC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000459436634 1046645555 /nfs/dbraw/zinc/64/55/55/1046645555.db2.gz XSHGAVFELGBBKG-JOCHJYFZSA-N 2 2 336.479 4.023 20 0 EIADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000459420065 1046649420 /nfs/dbraw/zinc/64/94/20/1046649420.db2.gz XLXCASKRDZGGAZ-UHFFFAOYSA-N 2 2 336.266 4.059 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000459420065 1046649433 /nfs/dbraw/zinc/64/94/33/1046649433.db2.gz XLXCASKRDZGGAZ-UHFFFAOYSA-N 2 2 336.266 4.059 20 0 EIADLP FC1(F)CCC(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000459440041 1046672404 /nfs/dbraw/zinc/67/24/04/1046672404.db2.gz WOWVTWHPMOAPIM-INIZCTEOSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCC(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000459440041 1046672411 /nfs/dbraw/zinc/67/24/11/1046672411.db2.gz WOWVTWHPMOAPIM-INIZCTEOSA-N 2 2 337.458 4.224 20 0 EIADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785497555 1046700120 /nfs/dbraw/zinc/70/01/20/1046700120.db2.gz SHSFEMITMMVZQS-JXFKEZNVSA-N 2 2 329.532 4.311 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654507 1046756429 /nfs/dbraw/zinc/75/64/29/1046756429.db2.gz IRNFSEJVLCPBGX-BJLQDIEVSA-N 2 2 338.495 4.399 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654507 1046756442 /nfs/dbraw/zinc/75/64/42/1046756442.db2.gz IRNFSEJVLCPBGX-BJLQDIEVSA-N 2 2 338.495 4.399 20 0 EIADLP CC(C)CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170079670 1047069371 /nfs/dbraw/zinc/06/93/71/1047069371.db2.gz GBVNQYQVJMMVPR-RTBURBONSA-N 2 2 345.531 4.014 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1 ZINC000537456593 1047254220 /nfs/dbraw/zinc/25/42/20/1047254220.db2.gz UYROIPQFIWCURO-KDOFPFPSSA-N 2 2 344.890 4.048 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000788989030 1047345113 /nfs/dbraw/zinc/34/51/13/1047345113.db2.gz UFXDSHAYSKMUQL-OALUTQOASA-N 2 2 341.499 4.319 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170098791 1047376434 /nfs/dbraw/zinc/37/64/34/1047376434.db2.gz XEFCSEDCIBETIM-KDOFPFPSSA-N 2 2 340.433 4.448 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000129659672 1047459035 /nfs/dbraw/zinc/45/90/35/1047459035.db2.gz GDZWZSQJDGLODY-WBVHZDCISA-N 2 2 338.480 4.090 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000129659672 1047459041 /nfs/dbraw/zinc/45/90/41/1047459041.db2.gz GDZWZSQJDGLODY-WBVHZDCISA-N 2 2 338.480 4.090 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cncs1 ZINC000897931036 1047500895 /nfs/dbraw/zinc/50/08/95/1047500895.db2.gz VABOCWNQNJKYNJ-LESCRADOSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cncs1 ZINC000897931036 1047500899 /nfs/dbraw/zinc/50/08/99/1047500899.db2.gz VABOCWNQNJKYNJ-LESCRADOSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556195207 1047554687 /nfs/dbraw/zinc/55/46/87/1047554687.db2.gz RXOYXMPVJMUPIQ-HIUUTZCYSA-N 2 2 340.442 4.073 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556195207 1047554696 /nfs/dbraw/zinc/55/46/96/1047554696.db2.gz RXOYXMPVJMUPIQ-HIUUTZCYSA-N 2 2 340.442 4.073 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000556585886 1047832620 /nfs/dbraw/zinc/83/26/20/1047832620.db2.gz DUXZGGGQDMHCGW-IRXDYDNUSA-N 2 2 337.389 4.218 20 0 EIADLP Clc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171092921 1048118995 /nfs/dbraw/zinc/11/89/95/1048118995.db2.gz BFLPXRSIMJHBAY-IBGZPJMESA-N 2 2 337.854 4.173 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001143680439 1048150820 /nfs/dbraw/zinc/15/08/20/1048150820.db2.gz BRRZWGMFTCWXOD-INIZCTEOSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001143680439 1048150825 /nfs/dbraw/zinc/15/08/25/1048150825.db2.gz BRRZWGMFTCWXOD-INIZCTEOSA-N 2 2 336.357 4.062 20 0 EIADLP COc1ccccc1-c1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)C)cc1 ZINC000499070663 1048162411 /nfs/dbraw/zinc/16/24/11/1048162411.db2.gz RDRUZECSILBKPV-UHFFFAOYSA-N 2 2 349.478 4.469 20 0 EIADLP COc1ccccc1-c1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)C)cc1 ZINC000499070663 1048162413 /nfs/dbraw/zinc/16/24/13/1048162413.db2.gz RDRUZECSILBKPV-UHFFFAOYSA-N 2 2 349.478 4.469 20 0 EIADLP Cc1cccc2c1CC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132137271 1048211465 /nfs/dbraw/zinc/21/14/65/1048211465.db2.gz OIOCJJDNSVDAAL-OAQYLSRUSA-N 2 2 331.463 4.059 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCC3(C)C)CC2)cc1 ZINC000815161990 1048353830 /nfs/dbraw/zinc/35/38/30/1048353830.db2.gz FOYYGJBAHQCSGC-QGZVFWFLSA-N 2 2 329.532 4.137 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559217 1048402678 /nfs/dbraw/zinc/40/26/78/1048402678.db2.gz JYGQGEFNNNBOJH-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559217 1048402685 /nfs/dbraw/zinc/40/26/85/1048402685.db2.gz JYGQGEFNNNBOJH-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559217 1048402690 /nfs/dbraw/zinc/40/26/90/1048402690.db2.gz JYGQGEFNNNBOJH-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559217 1048402697 /nfs/dbraw/zinc/40/26/97/1048402697.db2.gz JYGQGEFNNNBOJH-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP CCc1ccc([C@H]2CCC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809711967 1048491889 /nfs/dbraw/zinc/49/18/89/1048491889.db2.gz WAOSFWYMWNDXON-SFHVURJKSA-N 2 2 343.540 4.147 20 0 EIADLP CCc1ccc([C@H]2CCC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809711967 1048491898 /nfs/dbraw/zinc/49/18/98/1048491898.db2.gz WAOSFWYMWNDXON-SFHVURJKSA-N 2 2 343.540 4.147 20 0 EIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000815597666 1048532574 /nfs/dbraw/zinc/53/25/74/1048532574.db2.gz BHRXEEHYAHOFAK-SJORKVTESA-N 2 2 341.474 4.405 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1SC(C)(C)C ZINC000815618119 1048544389 /nfs/dbraw/zinc/54/43/89/1048544389.db2.gz FLTYPUXUTXMKPY-HUUCEWRRSA-N 2 2 329.513 4.439 20 0 EIADLP C[NH+](C)[C@@H](CNc1cccn2cc[nH+]c12)c1ccc(Cl)cc1Cl ZINC001170589936 1048566575 /nfs/dbraw/zinc/56/65/75/1048566575.db2.gz QITPVRPAWXPEPW-INIZCTEOSA-N 2 2 349.265 4.356 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171172187 1048626710 /nfs/dbraw/zinc/62/67/10/1048626710.db2.gz MDXOQFATGSQCKB-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171172187 1048626717 /nfs/dbraw/zinc/62/67/17/1048626717.db2.gz MDXOQFATGSQCKB-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000076004354 1048833941 /nfs/dbraw/zinc/83/39/41/1048833941.db2.gz GZJNLPXUVROBCF-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000076004354 1048833945 /nfs/dbraw/zinc/83/39/45/1048833945.db2.gz GZJNLPXUVROBCF-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326955 1049025451 /nfs/dbraw/zinc/02/54/51/1049025451.db2.gz YJFHGYWLQQMUOF-ABAIWWIYSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326955 1049025465 /nfs/dbraw/zinc/02/54/65/1049025465.db2.gz YJFHGYWLQQMUOF-ABAIWWIYSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326955 1049025478 /nfs/dbraw/zinc/02/54/78/1049025478.db2.gz YJFHGYWLQQMUOF-ABAIWWIYSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326955 1049025493 /nfs/dbraw/zinc/02/54/93/1049025493.db2.gz YJFHGYWLQQMUOF-ABAIWWIYSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H]1C ZINC000812841589 1049605903 /nfs/dbraw/zinc/60/59/03/1049605903.db2.gz CRCVXRMXNNYCLM-ZHALLVOQSA-N 2 2 329.532 4.136 20 0 EIADLP CSCCCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842313 1049606591 /nfs/dbraw/zinc/60/65/91/1049606591.db2.gz VIKLAEMKPUUZJA-UHFFFAOYSA-N 2 2 349.588 4.234 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171444699 1049697018 /nfs/dbraw/zinc/69/70/18/1049697018.db2.gz GKYPJUMIBHSJNC-LJQANCHMSA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171444699 1049697024 /nfs/dbraw/zinc/69/70/24/1049697024.db2.gz GKYPJUMIBHSJNC-LJQANCHMSA-N 2 2 330.491 4.022 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716700844 1049702315 /nfs/dbraw/zinc/70/23/15/1049702315.db2.gz QEMFAHHRNWZWRP-WNHJNPCNSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716700844 1049702327 /nfs/dbraw/zinc/70/23/27/1049702327.db2.gz QEMFAHHRNWZWRP-WNHJNPCNSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cccc2c1CC[C@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558973 1049754902 /nfs/dbraw/zinc/75/49/02/1049754902.db2.gz RUHFDKUZZUCIEE-UFYCRDLUSA-N 2 2 335.495 4.024 20 0 EIADLP C[N@H+](Cc1ncccc1C(F)(F)F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630818 1049762481 /nfs/dbraw/zinc/76/24/81/1049762481.db2.gz CSAJGZDBEDAITE-UHFFFAOYSA-N 2 2 343.437 4.184 20 0 EIADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630818 1049762490 /nfs/dbraw/zinc/76/24/90/1049762490.db2.gz CSAJGZDBEDAITE-UHFFFAOYSA-N 2 2 343.437 4.184 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccccc2Br)CC1(C)C ZINC001171622320 1049768680 /nfs/dbraw/zinc/76/86/80/1049768680.db2.gz ZYMINWZIJFSSPF-UHFFFAOYSA-N 2 2 339.321 4.190 20 0 EIADLP Cc1ccc(CC[C@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001171681337 1049777908 /nfs/dbraw/zinc/77/79/08/1049777908.db2.gz FNPFMQKTVCCXHB-IBGZPJMESA-N 2 2 337.511 4.278 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2cccc(F)c2C1 ZINC001171004788 1049820803 /nfs/dbraw/zinc/82/08/03/1049820803.db2.gz JGLWTSJJYUFQCA-IBGZPJMESA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2cccc(F)c2C1 ZINC001171004788 1049820807 /nfs/dbraw/zinc/82/08/07/1049820807.db2.gz JGLWTSJJYUFQCA-IBGZPJMESA-N 2 2 335.426 4.001 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171962994 1049825141 /nfs/dbraw/zinc/82/51/41/1049825141.db2.gz FYGONSOPACFLJG-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001171962994 1049825144 /nfs/dbraw/zinc/82/51/44/1049825144.db2.gz FYGONSOPACFLJG-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983888 1049840271 /nfs/dbraw/zinc/84/02/71/1049840271.db2.gz AVGYTKIZXQPZPY-OAQYLSRUSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983888 1049840273 /nfs/dbraw/zinc/84/02/73/1049840273.db2.gz AVGYTKIZXQPZPY-OAQYLSRUSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983888 1049840274 /nfs/dbraw/zinc/84/02/74/1049840274.db2.gz AVGYTKIZXQPZPY-OAQYLSRUSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983888 1049840277 /nfs/dbraw/zinc/84/02/77/1049840277.db2.gz AVGYTKIZXQPZPY-OAQYLSRUSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172082888 1049847843 /nfs/dbraw/zinc/84/78/43/1049847843.db2.gz NAZSVDZTYCPTFQ-NUNAXRQHSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172082888 1049847849 /nfs/dbraw/zinc/84/78/49/1049847849.db2.gz NAZSVDZTYCPTFQ-NUNAXRQHSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172082888 1049847855 /nfs/dbraw/zinc/84/78/55/1049847855.db2.gz NAZSVDZTYCPTFQ-NUNAXRQHSA-N 2 2 347.506 4.291 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172082888 1049847859 /nfs/dbraw/zinc/84/78/59/1049847859.db2.gz NAZSVDZTYCPTFQ-NUNAXRQHSA-N 2 2 347.506 4.291 20 0 EIADLP C[N@H+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069523 1049852422 /nfs/dbraw/zinc/85/24/22/1049852422.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069523 1049852425 /nfs/dbraw/zinc/85/24/25/1049852425.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069523 1049852426 /nfs/dbraw/zinc/85/24/26/1049852426.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069523 1049852429 /nfs/dbraw/zinc/85/24/29/1049852429.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP CC[C@H](C)OCC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327954 1049885652 /nfs/dbraw/zinc/88/56/52/1049885652.db2.gz AENGEPFONOVMPI-MOPGFXCFSA-N 2 2 332.532 4.177 20 0 EIADLP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327954 1049885654 /nfs/dbraw/zinc/88/56/54/1049885654.db2.gz AENGEPFONOVMPI-MOPGFXCFSA-N 2 2 332.532 4.177 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172584330 1049952939 /nfs/dbraw/zinc/95/29/39/1049952939.db2.gz NCPSBEOWQSICTD-CYBMUJFWSA-N 2 2 342.861 4.109 20 0 EIADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001172730258 1049969549 /nfs/dbraw/zinc/96/95/49/1049969549.db2.gz BCKZOJVGXJXBJZ-UHFFFAOYSA-N 2 2 331.479 4.282 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1nc(-c2ccccc2)cs1 ZINC000246951460 1050007559 /nfs/dbraw/zinc/00/75/59/1050007559.db2.gz HKLQUMMBSZHUJR-USXIJHARSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248399698 1050054330 /nfs/dbraw/zinc/05/43/30/1050054330.db2.gz KAYCNTQTGSQFTB-PMPSAXMXSA-N 2 2 347.572 4.326 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399698 1050054337 /nfs/dbraw/zinc/05/43/37/1050054337.db2.gz KAYCNTQTGSQFTB-PMPSAXMXSA-N 2 2 347.572 4.326 20 0 EIADLP Cc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828727 1050166583 /nfs/dbraw/zinc/16/65/83/1050166583.db2.gz OVSZFDFQBKFKMX-NJDAHSKKSA-N 2 2 335.495 4.024 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172844118 1050182500 /nfs/dbraw/zinc/18/25/00/1050182500.db2.gz BIDMSMPFLKGKAC-KGLIPLIRSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172844118 1050182508 /nfs/dbraw/zinc/18/25/08/1050182508.db2.gz BIDMSMPFLKGKAC-KGLIPLIRSA-N 2 2 326.887 4.120 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000090585559 1050187929 /nfs/dbraw/zinc/18/79/29/1050187929.db2.gz BXIWDOYPOIHABW-JKSUJKDBSA-N 2 2 335.561 4.041 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000090585559 1050187937 /nfs/dbraw/zinc/18/79/37/1050187937.db2.gz BXIWDOYPOIHABW-JKSUJKDBSA-N 2 2 335.561 4.041 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860088 1050197182 /nfs/dbraw/zinc/19/71/82/1050197182.db2.gz DMWCXSNYUPYZBD-LSDHHAIUSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860088 1050197188 /nfs/dbraw/zinc/19/71/88/1050197188.db2.gz DMWCXSNYUPYZBD-LSDHHAIUSA-N 2 2 348.849 4.267 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC001177429226 1050218523 /nfs/dbraw/zinc/21/85/23/1050218523.db2.gz SVQZKZCYAVNQJQ-RTYFKUQISA-N 2 2 338.442 4.155 20 0 EIADLP Cc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000091284340 1050247150 /nfs/dbraw/zinc/24/71/50/1050247150.db2.gz QRGPQHFKWCXHIN-JOCHJYFZSA-N 2 2 331.463 4.481 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000091284347 1050247252 /nfs/dbraw/zinc/24/72/52/1050247252.db2.gz IJPOQQVTDUSPAV-JOCHJYFZSA-N 2 2 347.462 4.181 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000091284348 1050247860 /nfs/dbraw/zinc/24/78/60/1050247860.db2.gz IJPOQQVTDUSPAV-QFIPXVFZSA-N 2 2 347.462 4.181 20 0 EIADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000091287859 1050250426 /nfs/dbraw/zinc/25/04/26/1050250426.db2.gz FEXVUERQWWMJIH-QFIPXVFZSA-N 2 2 338.495 4.006 20 0 EIADLP c1cn(Cc2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2)c[nH+]1 ZINC001212695025 1050253033 /nfs/dbraw/zinc/25/30/33/1050253033.db2.gz JUQYLFJUBPULJA-UHFFFAOYSA-N 2 2 333.439 4.060 20 0 EIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173208994 1050369086 /nfs/dbraw/zinc/36/90/86/1050369086.db2.gz VOCYUSXTTCWHGA-LJQANCHMSA-N 2 2 333.479 4.474 20 0 EIADLP CCc1ccc(C[C@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001173248177 1050375665 /nfs/dbraw/zinc/37/56/65/1050375665.db2.gz SESWOMJUKHTWDR-SFHVURJKSA-N 2 2 337.511 4.142 20 0 EIADLP CCc1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173248924 1050376579 /nfs/dbraw/zinc/37/65/79/1050376579.db2.gz JHGJFFNQRNQAGS-DUXKGJEZSA-N 2 2 337.511 4.352 20 0 EIADLP COCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001178276578 1050426314 /nfs/dbraw/zinc/42/63/14/1050426314.db2.gz XTJFWSHCDUXOBZ-QFIPXVFZSA-N 2 2 349.478 4.177 20 0 EIADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CCCC1 ZINC001178449943 1050461244 /nfs/dbraw/zinc/46/12/44/1050461244.db2.gz ZVRQTTOXHDRZQO-UHFFFAOYSA-N 2 2 333.278 4.344 20 0 EIADLP C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409428 1050463741 /nfs/dbraw/zinc/46/37/41/1050463741.db2.gz SQUDACDHSNNYMH-INIZCTEOSA-N 2 2 347.462 4.437 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCOc1cc[nH+]cc1 ZINC001173546751 1050478921 /nfs/dbraw/zinc/47/89/21/1050478921.db2.gz LIOMTVZMEIJMHN-CYBMUJFWSA-N 2 2 339.266 4.378 20 0 EIADLP COc1ccccc1/C=C\C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001178561122 1050507413 /nfs/dbraw/zinc/50/74/13/1050507413.db2.gz AJKNHUSVSNGFTF-CLFYSBASSA-N 2 2 342.527 4.344 20 0 EIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000446840008 1050668361 /nfs/dbraw/zinc/66/83/61/1050668361.db2.gz DAGMLIZANRECKI-INIZCTEOSA-N 2 2 337.423 4.185 20 0 EIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000446840008 1050668367 /nfs/dbraw/zinc/66/83/67/1050668367.db2.gz DAGMLIZANRECKI-INIZCTEOSA-N 2 2 337.423 4.185 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001179339171 1050679808 /nfs/dbraw/zinc/67/98/08/1050679808.db2.gz XPNXEMVAVPJFNS-FUHWJXTLSA-N 2 2 343.540 4.124 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001179339171 1050679814 /nfs/dbraw/zinc/67/98/14/1050679814.db2.gz XPNXEMVAVPJFNS-FUHWJXTLSA-N 2 2 343.540 4.124 20 0 EIADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]Cc2cccc3ncccc23)cc1 ZINC001179382084 1050686754 /nfs/dbraw/zinc/68/67/54/1050686754.db2.gz NFTDUTAYJKXVCR-OAQYLSRUSA-N 2 2 345.490 4.379 20 0 EIADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]Cc2cccc3ncccc23)cc1 ZINC001179382084 1050686759 /nfs/dbraw/zinc/68/67/59/1050686759.db2.gz NFTDUTAYJKXVCR-OAQYLSRUSA-N 2 2 345.490 4.379 20 0 EIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1SC(F)(F)F ZINC001179758904 1050775463 /nfs/dbraw/zinc/77/54/63/1050775463.db2.gz OVKYECDFMBWBSZ-UHFFFAOYSA-N 2 2 341.402 4.049 20 0 EIADLP Cc1cccnc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785139 1050779096 /nfs/dbraw/zinc/77/90/96/1050779096.db2.gz WLAKDQRAUJMXPW-UYAOXDASSA-N 2 2 335.495 4.238 20 0 EIADLP Cc1cccnc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785139 1050779110 /nfs/dbraw/zinc/77/91/10/1050779110.db2.gz WLAKDQRAUJMXPW-UYAOXDASSA-N 2 2 335.495 4.238 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926362 1050819184 /nfs/dbraw/zinc/81/91/84/1050819184.db2.gz XPIBKRJOPXMBMJ-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926362 1050819193 /nfs/dbraw/zinc/81/91/93/1050819193.db2.gz XPIBKRJOPXMBMJ-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926362 1050819199 /nfs/dbraw/zinc/81/91/99/1050819199.db2.gz XPIBKRJOPXMBMJ-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179926362 1050819201 /nfs/dbraw/zinc/81/92/01/1050819201.db2.gz XPIBKRJOPXMBMJ-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC001180821236 1051086219 /nfs/dbraw/zinc/08/62/19/1051086219.db2.gz XJRRUHJWNQRFJH-UHFFFAOYSA-N 2 2 329.941 4.131 20 0 EIADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180953695 1051120851 /nfs/dbraw/zinc/12/08/51/1051120851.db2.gz SHTVRCXKTIQBBW-MRXNPFEDSA-N 2 2 328.422 4.100 20 0 EIADLP c1ccc([C@H]2C[C@H]2C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001181195907 1051177527 /nfs/dbraw/zinc/17/75/27/1051177527.db2.gz GBSBSVJTFPKOOT-LEWJYISDSA-N 2 2 326.528 4.426 20 0 EIADLP CSCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001181505974 1051242824 /nfs/dbraw/zinc/24/28/24/1051242824.db2.gz LFNILPYTJUOSRR-UHFFFAOYSA-N 2 2 343.540 4.439 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1Cl ZINC001181534286 1051249107 /nfs/dbraw/zinc/24/91/07/1051249107.db2.gz IMVIAUMJBVRBTI-CJNGLKHVSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1Cl ZINC001181534286 1051249124 /nfs/dbraw/zinc/24/91/24/1051249124.db2.gz IMVIAUMJBVRBTI-CJNGLKHVSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1Cl ZINC001181534286 1051249141 /nfs/dbraw/zinc/24/91/41/1051249141.db2.gz IMVIAUMJBVRBTI-CJNGLKHVSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1Cl ZINC001181534286 1051249155 /nfs/dbraw/zinc/24/91/55/1051249155.db2.gz IMVIAUMJBVRBTI-CJNGLKHVSA-N 2 2 327.299 4.218 20 0 EIADLP COC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCCCC1 ZINC001182035142 1051376469 /nfs/dbraw/zinc/37/64/69/1051376469.db2.gz WWXSCSSTPZCZLH-UHFFFAOYSA-N 2 2 347.890 4.355 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000620878969 1051415351 /nfs/dbraw/zinc/41/53/51/1051415351.db2.gz WXTTYWSNYQGBAQ-LJQANCHMSA-N 2 2 332.488 4.441 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cn1 ZINC000775495829 1051602255 /nfs/dbraw/zinc/60/22/55/1051602255.db2.gz COTXJUWQVPKPHA-OAHLLOKOSA-N 2 2 335.923 4.430 20 0 EIADLP Fc1cccc(F)c1CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668965 1051722526 /nfs/dbraw/zinc/72/25/26/1051722526.db2.gz JHBSRZVRSZMANW-HXUWFJFHSA-N 2 2 341.405 4.125 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C[N@@H+]1Cc1ccccc1 ZINC001183024802 1051774133 /nfs/dbraw/zinc/77/41/33/1051774133.db2.gz OZIRJVLHUIVMRZ-PVAVHDDUSA-N 2 2 341.326 4.213 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C[N@H+]1Cc1ccccc1 ZINC001183024802 1051774145 /nfs/dbraw/zinc/77/41/45/1051774145.db2.gz OZIRJVLHUIVMRZ-PVAVHDDUSA-N 2 2 341.326 4.213 20 0 EIADLP CC[NH+]1CCN(c2ccc(Nc3cccc(C4CCC4)[nH+]3)cc2)CC1 ZINC001175781586 1051784650 /nfs/dbraw/zinc/78/46/50/1051784650.db2.gz HRNUOHWIYJFLJS-UHFFFAOYSA-N 2 2 336.483 4.235 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146658 1051793274 /nfs/dbraw/zinc/79/32/74/1051793274.db2.gz ZNYRWJRWJNPVEA-UAGQMJEPSA-N 2 2 326.406 4.025 20 0 EIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146658 1051793292 /nfs/dbraw/zinc/79/32/92/1051793292.db2.gz ZNYRWJRWJNPVEA-UAGQMJEPSA-N 2 2 326.406 4.025 20 0 EIADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001183379456 1051840387 /nfs/dbraw/zinc/84/03/87/1051840387.db2.gz NSBKQCCVYKKEFG-KNQAVFIVSA-N 2 2 337.511 4.047 20 0 EIADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001183379456 1051840394 /nfs/dbraw/zinc/84/03/94/1051840394.db2.gz NSBKQCCVYKKEFG-KNQAVFIVSA-N 2 2 337.511 4.047 20 0 EIADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176382009 1052027855 /nfs/dbraw/zinc/02/78/55/1052027855.db2.gz FVTBBXKSGVIQTL-UHFFFAOYSA-N 2 2 339.483 4.132 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000165330423 1052056698 /nfs/dbraw/zinc/05/66/98/1052056698.db2.gz NONIPJUHFLEJRA-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP c1cn(-c2ccccc2C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000166291462 1052091972 /nfs/dbraw/zinc/09/19/72/1052091972.db2.gz UEICLAJMXCRROP-RXVVDRJESA-N 2 2 347.462 4.130 20 0 EIADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000166474268 1052097010 /nfs/dbraw/zinc/09/70/10/1052097010.db2.gz JCFRSKHGPRFFEJ-ICSRJNTNSA-N 2 2 339.483 4.031 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC001176990889 1052214185 /nfs/dbraw/zinc/21/41/85/1052214185.db2.gz NYINXNCXXLGGJK-KRWDZBQOSA-N 2 2 329.463 4.199 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC001176990889 1052214194 /nfs/dbraw/zinc/21/41/94/1052214194.db2.gz NYINXNCXXLGGJK-KRWDZBQOSA-N 2 2 329.463 4.199 20 0 EIADLP Fc1ccc(Oc2ccccc2C[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC001177081823 1052219895 /nfs/dbraw/zinc/21/98/95/1052219895.db2.gz RIHUTTUWRZNPDD-UHFFFAOYSA-N 2 2 345.805 4.258 20 0 EIADLP CC(C)Oc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001177127979 1052227460 /nfs/dbraw/zinc/22/74/60/1052227460.db2.gz ZEYAYMZCXGKZTO-UHFFFAOYSA-N 2 2 341.480 4.053 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340072 1052627665 /nfs/dbraw/zinc/62/76/65/1052627665.db2.gz WKTZUHBFRMBSAK-FPOVZHCZSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340072 1052627670 /nfs/dbraw/zinc/62/76/70/1052627670.db2.gz WKTZUHBFRMBSAK-FPOVZHCZSA-N 2 2 338.495 4.247 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCC2 ZINC000177933773 1052694289 /nfs/dbraw/zinc/69/42/89/1052694289.db2.gz IRJMXHYCEYLJOH-KRWDZBQOSA-N 2 2 331.463 4.271 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000180406398 1052798786 /nfs/dbraw/zinc/79/87/86/1052798786.db2.gz QVSMVYMMLFLVHC-LBPRGKRZSA-N 2 2 346.849 4.465 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000623880697 1052828919 /nfs/dbraw/zinc/82/89/19/1052828919.db2.gz QNNXSPOXWYHSQC-GJZGRUSLSA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000623880697 1052828921 /nfs/dbraw/zinc/82/89/21/1052828921.db2.gz QNNXSPOXWYHSQC-GJZGRUSLSA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000623880696 1052829276 /nfs/dbraw/zinc/82/92/76/1052829276.db2.gz QNNXSPOXWYHSQC-CABCVRRESA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000623880696 1052829278 /nfs/dbraw/zinc/82/92/78/1052829278.db2.gz QNNXSPOXWYHSQC-CABCVRRESA-N 2 2 335.542 4.076 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC(F)CC1 ZINC000850395795 1053165355 /nfs/dbraw/zinc/16/53/55/1053165355.db2.gz LNVPHYVWZMIUSG-AOCRQIFASA-N 2 2 347.522 4.228 20 0 EIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2cscn2)ccc1OC ZINC000850511840 1053268199 /nfs/dbraw/zinc/26/81/99/1053268199.db2.gz OICBRYQHRMQCTL-LSDHHAIUSA-N 2 2 347.528 4.405 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765247693 1053476542 /nfs/dbraw/zinc/47/65/42/1053476542.db2.gz BZSZCUFPPFKAHM-CXAGYDPISA-N 2 2 335.879 4.311 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000765357634 1053514845 /nfs/dbraw/zinc/51/48/45/1053514845.db2.gz AYDNSKGHECDQPH-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc2ccccc2c1Br ZINC000852746443 1053608574 /nfs/dbraw/zinc/60/85/74/1053608574.db2.gz LJNPJNIRMDXHQE-YHWZYXNKSA-N 2 2 349.272 4.040 20 0 EIADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc2ccccc2c1Br ZINC000852746443 1053608580 /nfs/dbraw/zinc/60/85/80/1053608580.db2.gz LJNPJNIRMDXHQE-YHWZYXNKSA-N 2 2 349.272 4.040 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866233514 1053658586 /nfs/dbraw/zinc/65/85/86/1053658586.db2.gz VBIFABVLBLDXIY-CTNGQTDRSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866233514 1053658593 /nfs/dbraw/zinc/65/85/93/1053658593.db2.gz VBIFABVLBLDXIY-CTNGQTDRSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866233517 1053658880 /nfs/dbraw/zinc/65/88/80/1053658880.db2.gz VBIFABVLBLDXIY-TZIWHRDSSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866233517 1053658889 /nfs/dbraw/zinc/65/88/89/1053658889.db2.gz VBIFABVLBLDXIY-TZIWHRDSSA-N 2 2 342.458 4.088 20 0 EIADLP [NH3+]CC[C@@H]1CN(c2cc(OCc3ccccc3)cc[nH+]2)c2ccccc21 ZINC001168545460 1053727519 /nfs/dbraw/zinc/72/75/19/1053727519.db2.gz OXHCWVYKOSXQSJ-GOSISDBHSA-N 2 2 345.446 4.245 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCc3cccc4ccccc43)cc2)c[nH+]1 ZINC000030913809 1054050705 /nfs/dbraw/zinc/05/07/05/1054050705.db2.gz PJZOWWYDTGGXCN-UHFFFAOYSA-N 2 2 327.431 4.358 20 0 EIADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001198790451 1054251091 /nfs/dbraw/zinc/25/10/91/1054251091.db2.gz HXCCBCIGJFDMBG-GOSISDBHSA-N 2 2 341.499 4.335 20 0 EIADLP COc1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001198790451 1054251106 /nfs/dbraw/zinc/25/11/06/1054251106.db2.gz HXCCBCIGJFDMBG-GOSISDBHSA-N 2 2 341.499 4.335 20 0 EIADLP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000872021683 1054335961 /nfs/dbraw/zinc/33/59/61/1054335961.db2.gz SDQFXCAKABCWCL-MRXNPFEDSA-N 2 2 325.378 4.142 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001199608474 1054431525 /nfs/dbraw/zinc/43/15/25/1054431525.db2.gz HQMYIPIYBRMYQE-FQEVSTJZSA-N 2 2 334.467 4.150 20 0 EIADLP C[N@H+](Cc1c[nH]c2c1cccc2F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137059138 1054439930 /nfs/dbraw/zinc/43/99/30/1054439930.db2.gz NUXHMKGGFHOTGX-UHFFFAOYSA-N 2 2 334.398 4.125 20 0 EIADLP C[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137059138 1054439941 /nfs/dbraw/zinc/43/99/41/1054439941.db2.gz NUXHMKGGFHOTGX-UHFFFAOYSA-N 2 2 334.398 4.125 20 0 EIADLP C[C@H](Cc1cccs1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000124134739 1054452607 /nfs/dbraw/zinc/45/26/07/1054452607.db2.gz OXTUABMVSCPVGM-MRXNPFEDSA-N 2 2 343.540 4.004 20 0 EIADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904879 1054612104 /nfs/dbraw/zinc/61/21/04/1054612104.db2.gz XSZWBPOTUIXFDD-GHMZBOCLSA-N 2 2 344.596 4.445 20 0 EIADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904879 1054612112 /nfs/dbraw/zinc/61/21/12/1054612112.db2.gz XSZWBPOTUIXFDD-GHMZBOCLSA-N 2 2 344.596 4.445 20 0 EIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214877 1054643881 /nfs/dbraw/zinc/64/38/81/1054643881.db2.gz QCTMYVBKKFEFND-OAHLLOKOSA-N 2 2 329.488 4.227 20 0 EIADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214877 1054643894 /nfs/dbraw/zinc/64/38/94/1054643894.db2.gz QCTMYVBKKFEFND-OAHLLOKOSA-N 2 2 329.488 4.227 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)cs1 ZINC001201390165 1054788186 /nfs/dbraw/zinc/78/81/86/1054788186.db2.gz SMEKDWLHPMEOAC-UHFFFAOYSA-N 2 2 347.572 4.462 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)cs1 ZINC001201390165 1054788198 /nfs/dbraw/zinc/78/81/98/1054788198.db2.gz SMEKDWLHPMEOAC-UHFFFAOYSA-N 2 2 347.572 4.462 20 0 EIADLP C[NH+](C)CC1CCN(c2ccc([NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000125585359 1054820299 /nfs/dbraw/zinc/82/02/99/1054820299.db2.gz YLXNDDLBIBWZRB-GOSISDBHSA-N 2 2 327.516 4.233 20 0 EIADLP CCC(CC)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201526299 1054843835 /nfs/dbraw/zinc/84/38/35/1054843835.db2.gz WKMCCZROUKHAMZ-UHFFFAOYSA-N 2 2 335.561 4.318 20 0 EIADLP CCC(CC)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201526299 1054843839 /nfs/dbraw/zinc/84/38/39/1054843839.db2.gz WKMCCZROUKHAMZ-UHFFFAOYSA-N 2 2 335.561 4.318 20 0 EIADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559321 1054848535 /nfs/dbraw/zinc/84/85/35/1054848535.db2.gz XMRICISBDASHHK-SFTDATJTSA-N 2 2 346.559 4.470 20 0 EIADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559321 1054848538 /nfs/dbraw/zinc/84/85/38/1054848538.db2.gz XMRICISBDASHHK-SFTDATJTSA-N 2 2 346.559 4.470 20 0 EIADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559319 1054848611 /nfs/dbraw/zinc/84/86/11/1054848611.db2.gz XMRICISBDASHHK-RTWAWAEBSA-N 2 2 346.559 4.470 20 0 EIADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559319 1054848623 /nfs/dbraw/zinc/84/86/23/1054848623.db2.gz XMRICISBDASHHK-RTWAWAEBSA-N 2 2 346.559 4.470 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3nc(Cl)cs3)c2)CC1 ZINC000877020974 1055003538 /nfs/dbraw/zinc/00/35/38/1055003538.db2.gz KENBKDIDSSEYNT-UHFFFAOYSA-N 2 2 349.931 4.318 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271358 1058311491 /nfs/dbraw/zinc/31/14/91/1058311491.db2.gz DRGNRWHNQMWNDI-UONOGXRCSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271358 1058311503 /nfs/dbraw/zinc/31/15/03/1058311503.db2.gz DRGNRWHNQMWNDI-UONOGXRCSA-N 2 2 328.472 4.179 20 0 EIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304196 1059360892 /nfs/dbraw/zinc/36/08/92/1059360892.db2.gz MESYCMKOUQRKNV-RTWAWAEBSA-N 2 2 331.463 4.289 20 0 EIADLP C[C@H](CSC(C)(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304525 1059363045 /nfs/dbraw/zinc/36/30/45/1059363045.db2.gz NPPYFNODJMBYGT-WBVHZDCISA-N 2 2 331.529 4.214 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323586 1059735213 /nfs/dbraw/zinc/73/52/13/1059735213.db2.gz DEEYOICLTVWKQP-GJZGRUSLSA-N 2 2 339.414 4.432 20 0 EIADLP C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323578 1059736250 /nfs/dbraw/zinc/73/62/50/1059736250.db2.gz DAYZJCSICDAMMV-FZKQIMNGSA-N 2 2 339.826 4.310 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832734 1060147965 /nfs/dbraw/zinc/14/79/65/1060147965.db2.gz YDHIIFIBSJEWRY-BEFAXECRSA-N 2 2 343.540 4.323 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832734 1060148001 /nfs/dbraw/zinc/14/80/01/1060148001.db2.gz YDHIIFIBSJEWRY-BEFAXECRSA-N 2 2 343.540 4.323 20 0 EIADLP C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168969978 1060562179 /nfs/dbraw/zinc/56/21/79/1060562179.db2.gz ZFFXYVVYCFGUSU-JOCHJYFZSA-N 2 2 331.463 4.470 20 0 EIADLP C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168969978 1060562195 /nfs/dbraw/zinc/56/21/95/1060562195.db2.gz ZFFXYVVYCFGUSU-JOCHJYFZSA-N 2 2 331.463 4.470 20 0 EIADLP CC(C)C[C@@H](Cc1ccccc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001169083785 1060642684 /nfs/dbraw/zinc/64/26/84/1060642684.db2.gz GFEPURBPKMRMNU-NRFANRHFSA-N 2 2 337.511 4.297 20 0 EIADLP Cc1ccsc1C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001204024646 1060776663 /nfs/dbraw/zinc/77/66/63/1060776663.db2.gz MFBQMXOTDWRYLZ-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP Cc1ccsc1C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001204024646 1060776674 /nfs/dbraw/zinc/77/66/74/1060776674.db2.gz MFBQMXOTDWRYLZ-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000532193512 1032080568 /nfs/dbraw/zinc/08/05/68/1032080568.db2.gz FSDISIDFGNCQQW-IEBWSBKVSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000532193512 1032080571 /nfs/dbraw/zinc/08/05/71/1032080571.db2.gz FSDISIDFGNCQQW-IEBWSBKVSA-N 2 2 339.483 4.063 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000459373682 1032085373 /nfs/dbraw/zinc/08/53/73/1032085373.db2.gz VZUYBTNTQMOQPL-KRWDZBQOSA-N 2 2 335.451 4.045 20 0 EIADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000532213015 1032094439 /nfs/dbraw/zinc/09/44/39/1032094439.db2.gz OQEBTUWUFFMZBU-IEBWSBKVSA-N 2 2 345.462 4.127 20 0 EIADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140108564 1032126262 /nfs/dbraw/zinc/12/62/62/1032126262.db2.gz QQSJPQNSVJVFCM-SYYKKAFVSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140108564 1032126266 /nfs/dbraw/zinc/12/62/66/1032126266.db2.gz QQSJPQNSVJVFCM-SYYKKAFVSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140108564 1032126268 /nfs/dbraw/zinc/12/62/68/1032126268.db2.gz QQSJPQNSVJVFCM-SYYKKAFVSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000140108564 1032126285 /nfs/dbraw/zinc/12/62/85/1032126285.db2.gz QQSJPQNSVJVFCM-SYYKKAFVSA-N 2 2 335.495 4.129 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCOc3c(C)cc(C)cc31)CCC2 ZINC000360080473 1032239884 /nfs/dbraw/zinc/23/98/84/1032239884.db2.gz XJGSFRPCACPKDM-PKOBYXMFSA-N 2 2 339.483 4.189 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C2CC(F)(F)C2)c(C)c1 ZINC000529547305 1032437583 /nfs/dbraw/zinc/43/75/83/1032437583.db2.gz WWYUBYAGDXAGDQ-CRAIPNDOSA-N 2 2 333.426 4.265 20 0 EIADLP COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199491 1032523939 /nfs/dbraw/zinc/52/39/39/1032523939.db2.gz KZFNBGBFNARIHN-FOIQADDNSA-N 2 2 333.435 4.219 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000178588166 1032540473 /nfs/dbraw/zinc/54/04/73/1032540473.db2.gz LWVKZLQVPPUPOH-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000124642002 1032663482 /nfs/dbraw/zinc/66/34/82/1032663482.db2.gz KJKFKGYMQNTERU-QGZVFWFLSA-N 2 2 339.483 4.188 20 0 EIADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124963758 1032759384 /nfs/dbraw/zinc/75/93/84/1032759384.db2.gz KESNQDRQBNXUQY-GOSISDBHSA-N 2 2 339.483 4.255 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430144007 1018841113 /nfs/dbraw/zinc/84/11/13/1018841113.db2.gz CYMFQCGWOCBCRK-SFHVURJKSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430144007 1018841114 /nfs/dbraw/zinc/84/11/14/1018841114.db2.gz CYMFQCGWOCBCRK-SFHVURJKSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430144007 1018841115 /nfs/dbraw/zinc/84/11/15/1018841115.db2.gz CYMFQCGWOCBCRK-SFHVURJKSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430144007 1018841117 /nfs/dbraw/zinc/84/11/17/1018841117.db2.gz CYMFQCGWOCBCRK-SFHVURJKSA-N 2 2 338.948 4.368 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000375591754 1019286815 /nfs/dbraw/zinc/28/68/15/1019286815.db2.gz OQZIRQTZSCWVJA-XMSQKQJNSA-N 2 2 346.478 4.142 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000274892556 1019839319 /nfs/dbraw/zinc/83/93/19/1019839319.db2.gz JSALVMWAGPBBNE-RYRKJORJSA-N 2 2 343.540 4.267 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274892556 1019839322 /nfs/dbraw/zinc/83/93/22/1019839322.db2.gz JSALVMWAGPBBNE-RYRKJORJSA-N 2 2 343.540 4.267 20 0 EIADLP Fc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Cl)c2)c1 ZINC000179992552 1020018696 /nfs/dbraw/zinc/01/86/96/1020018696.db2.gz HMMFCZLYMSWPLY-GOSISDBHSA-N 2 2 329.806 4.055 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655713466 1020908312 /nfs/dbraw/zinc/90/83/12/1020908312.db2.gz NGOOKUKYYGYLON-UHFFFAOYSA-N 2 2 329.513 4.001 20 0 EIADLP Cc1ccc(CSCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000340409026 1020925917 /nfs/dbraw/zinc/92/59/17/1020925917.db2.gz NKCGSYRTUDGBKK-UHFFFAOYSA-N 2 2 337.492 4.204 20 0 EIADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683819212 1021697350 /nfs/dbraw/zinc/69/73/50/1021697350.db2.gz OIMDCWYVUSOHDE-XJABCFGWSA-N 2 2 349.478 4.070 20 0 EIADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000414057103 1021747615 /nfs/dbraw/zinc/74/76/15/1021747615.db2.gz FFDQSDKAOSYBFG-OALUTQOASA-N 2 2 341.499 4.003 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069926 1021785645 /nfs/dbraw/zinc/78/56/45/1021785645.db2.gz KSXDXTWZGNGPJZ-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069926 1021785665 /nfs/dbraw/zinc/78/56/65/1021785665.db2.gz KSXDXTWZGNGPJZ-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069936 1021786099 /nfs/dbraw/zinc/78/60/99/1021786099.db2.gz KSXDXTWZGNGPJZ-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069936 1021786121 /nfs/dbraw/zinc/78/61/21/1021786121.db2.gz KSXDXTWZGNGPJZ-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158159492 1021876007 /nfs/dbraw/zinc/87/60/07/1021876007.db2.gz MSYXJAUKKMWEET-WEYGHZABSA-N 2 2 347.462 4.443 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000414160973 1021997595 /nfs/dbraw/zinc/99/75/95/1021997595.db2.gz JSZNFLNWVLVQPR-DJIMGWMZSA-N 2 2 329.875 4.236 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414171547 1022015829 /nfs/dbraw/zinc/01/58/29/1022015829.db2.gz XJAIWFDCLAPWNX-HYVNUMGLSA-N 2 2 329.875 4.236 20 0 EIADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653030 1022280646 /nfs/dbraw/zinc/28/06/46/1022280646.db2.gz WAFSSLSPNZDKPL-QAPCUYQASA-N 2 2 329.513 4.178 20 0 EIADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653030 1022280670 /nfs/dbraw/zinc/28/06/70/1022280670.db2.gz WAFSSLSPNZDKPL-QAPCUYQASA-N 2 2 329.513 4.178 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000182089582 1022305353 /nfs/dbraw/zinc/30/53/53/1022305353.db2.gz UMPAQZXMELRZEX-QGZVFWFLSA-N 2 2 335.451 4.135 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000182089582 1022305373 /nfs/dbraw/zinc/30/53/73/1022305373.db2.gz UMPAQZXMELRZEX-QGZVFWFLSA-N 2 2 335.451 4.135 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1SC ZINC000378186268 1022488808 /nfs/dbraw/zinc/48/88/08/1022488808.db2.gz WGUOMEICAJUDHD-GDBMZVCRSA-N 2 2 345.512 4.150 20 0 EIADLP C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378389941 1022784800 /nfs/dbraw/zinc/78/48/00/1022784800.db2.gz BFWWKEGMRKPNMR-WEYGHZABSA-N 2 2 347.462 4.301 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)c2ccccc21 ZINC000564440574 1022788494 /nfs/dbraw/zinc/78/84/94/1022788494.db2.gz NFQOFOSYLVXINB-WOJBJXKFSA-N 2 2 337.467 4.028 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000656438048 1022894745 /nfs/dbraw/zinc/89/47/45/1022894745.db2.gz HXKKUQATDQUQAK-GCJKJVERSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000656438048 1022894747 /nfs/dbraw/zinc/89/47/47/1022894747.db2.gz HXKKUQATDQUQAK-GCJKJVERSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438048 1022894750 /nfs/dbraw/zinc/89/47/50/1022894750.db2.gz HXKKUQATDQUQAK-GCJKJVERSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438048 1022894753 /nfs/dbraw/zinc/89/47/53/1022894753.db2.gz HXKKUQATDQUQAK-GCJKJVERSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000656438047 1022895200 /nfs/dbraw/zinc/89/52/00/1022895200.db2.gz HXKKUQATDQUQAK-AVRDEDQJSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000656438047 1022895201 /nfs/dbraw/zinc/89/52/01/1022895201.db2.gz HXKKUQATDQUQAK-AVRDEDQJSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438047 1022895202 /nfs/dbraw/zinc/89/52/02/1022895202.db2.gz HXKKUQATDQUQAK-AVRDEDQJSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438047 1022895208 /nfs/dbraw/zinc/89/52/08/1022895208.db2.gz HXKKUQATDQUQAK-AVRDEDQJSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000311258305 1023055406 /nfs/dbraw/zinc/05/54/06/1023055406.db2.gz VMBGRFWJQQCYMV-LJQANCHMSA-N 2 2 348.494 4.045 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000311258305 1023055431 /nfs/dbraw/zinc/05/54/31/1023055431.db2.gz VMBGRFWJQQCYMV-LJQANCHMSA-N 2 2 348.494 4.045 20 0 EIADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)on2)cc1 ZINC000157277281 1023395974 /nfs/dbraw/zinc/39/59/74/1023395974.db2.gz RSXXRORRYCUGSM-IBGZPJMESA-N 2 2 339.483 4.100 20 0 EIADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)on2)cc1 ZINC000157277281 1023395986 /nfs/dbraw/zinc/39/59/86/1023395986.db2.gz RSXXRORRYCUGSM-IBGZPJMESA-N 2 2 339.483 4.100 20 0 EIADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000472793979 1023593037 /nfs/dbraw/zinc/59/30/37/1023593037.db2.gz PIKSGDATYILCAV-IBGZPJMESA-N 2 2 348.918 4.109 20 0 EIADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000472793979 1023593042 /nfs/dbraw/zinc/59/30/42/1023593042.db2.gz PIKSGDATYILCAV-IBGZPJMESA-N 2 2 348.918 4.109 20 0 EIADLP C[C@@H](Cc1cccs1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412772 1023666366 /nfs/dbraw/zinc/66/63/66/1023666366.db2.gz XBPHINCRVAZJNF-GRTSSRMGSA-N 2 2 346.462 4.074 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2ccc(O)cc2)c(C)c1 ZINC000511715457 1023841389 /nfs/dbraw/zinc/84/13/89/1023841389.db2.gz ZEYFGVAQZMYGNX-GCJKJVERSA-N 2 2 349.478 4.168 20 0 EIADLP CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000319630240 1023845263 /nfs/dbraw/zinc/84/52/63/1023845263.db2.gz AWMXGPJGVSKBIU-UHFFFAOYSA-N 2 2 346.849 4.153 20 0 EIADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(C)o1 ZINC000156449189 1023865242 /nfs/dbraw/zinc/86/52/42/1023865242.db2.gz INDCBVGGFDMBAM-DNVCBOLYSA-N 2 2 339.439 4.120 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647199281 1023875638 /nfs/dbraw/zinc/87/56/38/1023875638.db2.gz WKOWKDFFMWEYLG-GOSISDBHSA-N 2 2 341.886 4.022 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647199281 1023875641 /nfs/dbraw/zinc/87/56/41/1023875641.db2.gz WKOWKDFFMWEYLG-GOSISDBHSA-N 2 2 341.886 4.022 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000510537402 1024002890 /nfs/dbraw/zinc/00/28/90/1024002890.db2.gz HSOJHHPLCPHDLW-DZGCQCFKSA-N 2 2 348.288 4.155 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000510537402 1024002906 /nfs/dbraw/zinc/00/29/06/1024002906.db2.gz HSOJHHPLCPHDLW-DZGCQCFKSA-N 2 2 348.288 4.155 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710095 1024024506 /nfs/dbraw/zinc/02/45/06/1024024506.db2.gz JUNXZQWMCCRIRD-ZDUSSCGKSA-N 2 2 345.878 4.194 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710095 1024024523 /nfs/dbraw/zinc/02/45/23/1024024523.db2.gz JUNXZQWMCCRIRD-ZDUSSCGKSA-N 2 2 345.878 4.194 20 0 EIADLP Cc1cc(OCCC[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000510707999 1024288237 /nfs/dbraw/zinc/28/82/37/1024288237.db2.gz ZHPRUTDHICFNQH-HOTGVXAUSA-N 2 2 335.879 4.071 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935678 1024313006 /nfs/dbraw/zinc/31/30/06/1024313006.db2.gz KFDFTXITQKCDBJ-WBVHZDCISA-N 2 2 343.902 4.161 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935678 1024313025 /nfs/dbraw/zinc/31/30/25/1024313025.db2.gz KFDFTXITQKCDBJ-WBVHZDCISA-N 2 2 343.902 4.161 20 0 EIADLP CCCCc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000048562715 1024653021 /nfs/dbraw/zinc/65/30/21/1024653021.db2.gz BUVQAWVEDNHPHT-QGZVFWFLSA-N 2 2 348.535 4.061 20 0 EIADLP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511923655 1024801319 /nfs/dbraw/zinc/80/13/19/1024801319.db2.gz AKHPEWJKAASXQJ-PXNSSMCTSA-N 2 2 343.540 4.254 20 0 EIADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639664 1024819249 /nfs/dbraw/zinc/81/92/49/1024819249.db2.gz KYDYUTWZKZURBC-NHCUHLMSSA-N 2 2 342.527 4.123 20 0 EIADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639664 1024819254 /nfs/dbraw/zinc/81/92/54/1024819254.db2.gz KYDYUTWZKZURBC-NHCUHLMSSA-N 2 2 342.527 4.123 20 0 EIADLP CCC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000326661145 1025000397 /nfs/dbraw/zinc/00/03/97/1025000397.db2.gz JBASGJMEORUEGF-ROUUACIJSA-N 2 2 344.459 4.337 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)[C@H](C)C2 ZINC000180989806 1025062972 /nfs/dbraw/zinc/06/29/72/1025062972.db2.gz AEZJZJCRDDDPSR-IEGUWTFLSA-N 2 2 349.522 4.439 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)F)c1 ZINC000121348601 1025207014 /nfs/dbraw/zinc/20/70/14/1025207014.db2.gz QMTZOHTWMNYNIN-CQSZACIVSA-N 2 2 347.409 4.003 20 0 EIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000151325336 1025284063 /nfs/dbraw/zinc/28/40/63/1025284063.db2.gz WGFADTUIDWKIAH-IBGZPJMESA-N 2 2 335.451 4.328 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000122175312 1025360543 /nfs/dbraw/zinc/36/05/43/1025360543.db2.gz ZBQHNRFTCOXHJB-LSDHHAIUSA-N 2 2 339.414 4.432 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000343969918 1025689281 /nfs/dbraw/zinc/68/92/81/1025689281.db2.gz CRMFZZTZICVTTB-ZFWWWQNUSA-N 2 2 337.389 4.439 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000163855702 1025866970 /nfs/dbraw/zinc/86/69/70/1025866970.db2.gz GYNFKVURROZIGF-OAHLLOKOSA-N 2 2 338.480 4.358 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1 ZINC000187745787 1025889724 /nfs/dbraw/zinc/88/97/24/1025889724.db2.gz YGCFBAZISNGZME-HXUWFJFHSA-N 2 2 337.442 4.354 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000344033207 1025893758 /nfs/dbraw/zinc/89/37/58/1025893758.db2.gz ZNEOQIRAOCLSOR-WIYYLYMNSA-N 2 2 326.484 4.047 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000344033207 1025893760 /nfs/dbraw/zinc/89/37/60/1025893760.db2.gz ZNEOQIRAOCLSOR-WIYYLYMNSA-N 2 2 326.484 4.047 20 0 EIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000344032747 1025893879 /nfs/dbraw/zinc/89/38/79/1025893879.db2.gz JNOMKFRPJHZKKJ-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000512099877 1025976732 /nfs/dbraw/zinc/97/67/32/1025976732.db2.gz OBKVBOACZVURPF-GORDUTHDSA-N 2 2 339.389 4.013 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001207275308 1025981754 /nfs/dbraw/zinc/98/17/54/1025981754.db2.gz LSHDHRQFVDCIHZ-INIZCTEOSA-N 2 2 339.321 4.174 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001207275308 1025981782 /nfs/dbraw/zinc/98/17/82/1025981782.db2.gz LSHDHRQFVDCIHZ-INIZCTEOSA-N 2 2 339.321 4.174 20 0 EIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000152101582 1026090020 /nfs/dbraw/zinc/09/00/20/1026090020.db2.gz JMRISGSNEWRXOH-IBGZPJMESA-N 2 2 335.451 4.328 20 0 EIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000342427450 1026225728 /nfs/dbraw/zinc/22/57/28/1026225728.db2.gz YXXMGHHBKIJNGM-IBGZPJMESA-N 2 2 341.842 4.003 20 0 EIADLP c1ccc(NCCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[nH+]c1 ZINC000162893381 1026324636 /nfs/dbraw/zinc/32/46/36/1026324636.db2.gz GSECRGNMRUGHNE-GOSISDBHSA-N 2 2 337.467 4.310 20 0 EIADLP FC(F)(F)c1cccc(C2CCC([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000432529468 1026389527 /nfs/dbraw/zinc/38/95/27/1026389527.db2.gz ZOZPXNUZHABMEB-UHFFFAOYSA-N 2 2 337.389 4.218 20 0 EIADLP CCC(CC)[N@H+](CC(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562661 1026435827 /nfs/dbraw/zinc/43/58/27/1026435827.db2.gz OJUXEPQJLHZRJY-JOCHJYFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[N@@H+](CC(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562661 1026435844 /nfs/dbraw/zinc/43/58/44/1026435844.db2.gz OJUXEPQJLHZRJY-JOCHJYFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[NH+](CC(C)C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562661 1026435852 /nfs/dbraw/zinc/43/58/52/1026435852.db2.gz OJUXEPQJLHZRJY-JOCHJYFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[NH+](CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562661 1026435863 /nfs/dbraw/zinc/43/58/63/1026435863.db2.gz OJUXEPQJLHZRJY-JOCHJYFZSA-N 2 2 346.559 4.424 20 0 EIADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925081447 1026555671 /nfs/dbraw/zinc/55/56/71/1026555671.db2.gz ZSCLXPFXVPTQLP-ZBFHGGJFSA-N 2 2 327.472 4.168 20 0 EIADLP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507429761 1026792906 /nfs/dbraw/zinc/79/29/06/1026792906.db2.gz PYMBXNCCHXNFLF-CYBMUJFWSA-N 2 2 345.368 4.183 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCS2 ZINC000152772215 1026843305 /nfs/dbraw/zinc/84/33/05/1026843305.db2.gz JQGMFLGXXWBZOA-INIZCTEOSA-N 2 2 347.915 4.242 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000152880969 1026862617 /nfs/dbraw/zinc/86/26/17/1026862617.db2.gz BQHNGBXXFJKZSK-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000302677930 1027357599 /nfs/dbraw/zinc/35/75/99/1027357599.db2.gz VHDFAKBWWXPIRS-QGZVFWFLSA-N 2 2 339.483 4.007 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000453287027 1027382820 /nfs/dbraw/zinc/38/28/20/1027382820.db2.gz NRORKKOLGKXAGO-SJORKVTESA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000453287027 1027382839 /nfs/dbraw/zinc/38/28/39/1027382839.db2.gz NRORKKOLGKXAGO-SJORKVTESA-N 2 2 349.400 4.026 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040962 1027404611 /nfs/dbraw/zinc/40/46/11/1027404611.db2.gz PKKCDFHRCBZVRT-LHDHZVESSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040962 1027404624 /nfs/dbraw/zinc/40/46/24/1027404624.db2.gz PKKCDFHRCBZVRT-LHDHZVESSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040962 1027404634 /nfs/dbraw/zinc/40/46/34/1027404634.db2.gz PKKCDFHRCBZVRT-LHDHZVESSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040962 1027404647 /nfs/dbraw/zinc/40/46/47/1027404647.db2.gz PKKCDFHRCBZVRT-LHDHZVESSA-N 2 2 336.470 4.200 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441367423 1027490546 /nfs/dbraw/zinc/49/05/46/1027490546.db2.gz IBXZXZAUCUGHQG-LJQANCHMSA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441367423 1027490559 /nfs/dbraw/zinc/49/05/59/1027490559.db2.gz IBXZXZAUCUGHQG-LJQANCHMSA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000441367423 1027490570 /nfs/dbraw/zinc/49/05/70/1027490570.db2.gz IBXZXZAUCUGHQG-LJQANCHMSA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000441367423 1027490577 /nfs/dbraw/zinc/49/05/77/1027490577.db2.gz IBXZXZAUCUGHQG-LJQANCHMSA-N 2 2 330.516 4.121 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041819 1027515848 /nfs/dbraw/zinc/51/58/48/1027515848.db2.gz VWAALBFSNYMIMP-ALXJQNPVSA-N 2 2 334.454 4.159 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041819 1027515854 /nfs/dbraw/zinc/51/58/54/1027515854.db2.gz VWAALBFSNYMIMP-ALXJQNPVSA-N 2 2 334.454 4.159 20 0 EIADLP CC(C)Sc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000511211735 1027555881 /nfs/dbraw/zinc/55/58/81/1027555881.db2.gz RIDFXDMXOPLQSF-SFHVURJKSA-N 2 2 343.540 4.375 20 0 EIADLP CC(C)Sc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000511211735 1027555898 /nfs/dbraw/zinc/55/58/98/1027555898.db2.gz RIDFXDMXOPLQSF-SFHVURJKSA-N 2 2 343.540 4.375 20 0 EIADLP Fc1ccccc1-c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000475550614 1027589712 /nfs/dbraw/zinc/58/97/12/1027589712.db2.gz HYMQFBYSAHZFFJ-UHFFFAOYSA-N 2 2 328.431 4.192 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2F)cc1F ZINC000153692338 1027878565 /nfs/dbraw/zinc/87/85/65/1027878565.db2.gz NWWBQYYWVYFDSM-GFCCVEGCSA-N 2 2 345.368 4.449 20 0 EIADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167653056 1028041915 /nfs/dbraw/zinc/04/19/15/1028041915.db2.gz DMAJLYNMJZEYTI-FQEVSTJZSA-N 2 2 346.478 4.103 20 0 EIADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167653056 1028041936 /nfs/dbraw/zinc/04/19/36/1028041936.db2.gz DMAJLYNMJZEYTI-FQEVSTJZSA-N 2 2 346.478 4.103 20 0 EIADLP Oc1cccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2CC2)c1 ZINC000346136975 1028292260 /nfs/dbraw/zinc/29/22/60/1028292260.db2.gz QBKZRVJWGLIAKF-UHFFFAOYSA-N 2 2 339.464 4.052 20 0 EIADLP Oc1cccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2CC2)c1 ZINC000346136975 1028292269 /nfs/dbraw/zinc/29/22/69/1028292269.db2.gz QBKZRVJWGLIAKF-UHFFFAOYSA-N 2 2 339.464 4.052 20 0 EIADLP FC(F)(F)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346167464 1028299550 /nfs/dbraw/zinc/29/95/50/1028299550.db2.gz KQDUXQITDHYSMJ-UHFFFAOYSA-N 2 2 329.391 4.098 20 0 EIADLP FC(F)(F)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346167464 1028299565 /nfs/dbraw/zinc/29/95/65/1028299565.db2.gz KQDUXQITDHYSMJ-UHFFFAOYSA-N 2 2 329.391 4.098 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000346205198 1028327598 /nfs/dbraw/zinc/32/75/98/1028327598.db2.gz LJWZMAGWLMQMLA-AWEZNQCLSA-N 2 2 342.393 4.047 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000346205198 1028327615 /nfs/dbraw/zinc/32/76/15/1028327615.db2.gz LJWZMAGWLMQMLA-AWEZNQCLSA-N 2 2 342.393 4.047 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263030 1028376847 /nfs/dbraw/zinc/37/68/47/1028376847.db2.gz YQTXPSFENSWQPT-FUHWJXTLSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263030 1028376854 /nfs/dbraw/zinc/37/68/54/1028376854.db2.gz YQTXPSFENSWQPT-FUHWJXTLSA-N 2 2 341.524 4.299 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126294928 1028577113 /nfs/dbraw/zinc/57/71/13/1028577113.db2.gz JEHPQJKVTFZXOQ-OAQYLSRUSA-N 2 2 348.494 4.129 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126294928 1028577138 /nfs/dbraw/zinc/57/71/38/1028577138.db2.gz JEHPQJKVTFZXOQ-OAQYLSRUSA-N 2 2 348.494 4.129 20 0 EIADLP FC(F)(F)c1cscc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000356132708 1028668844 /nfs/dbraw/zinc/66/88/44/1028668844.db2.gz VWCVKAXRDUJYCA-WBMJQRKESA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000356132708 1028668848 /nfs/dbraw/zinc/66/88/48/1028668848.db2.gz VWCVKAXRDUJYCA-WBMJQRKESA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000356132708 1028668851 /nfs/dbraw/zinc/66/88/51/1028668851.db2.gz VWCVKAXRDUJYCA-WBMJQRKESA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000356132708 1028668854 /nfs/dbraw/zinc/66/88/54/1028668854.db2.gz VWCVKAXRDUJYCA-WBMJQRKESA-N 2 2 344.446 4.216 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127039740 1028727165 /nfs/dbraw/zinc/72/71/65/1028727165.db2.gz KXFLNBPWFPVUJL-AEFFLSMTSA-N 2 2 325.456 4.015 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346870255 1028802735 /nfs/dbraw/zinc/80/27/35/1028802735.db2.gz LSLLFWLRJBCPSN-ZWKOTPCHSA-N 3 2 340.515 4.096 20 0 EIADLP COCCC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000281620780 1028813826 /nfs/dbraw/zinc/81/38/26/1028813826.db2.gz CCOXWWSXXGTSLY-IBGZPJMESA-N 2 2 345.462 4.170 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151034982 1028853999 /nfs/dbraw/zinc/85/39/99/1028853999.db2.gz QFWIXKMGCBUROO-XCLFUZPHSA-N 2 2 339.389 4.174 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000367244276 1028866604 /nfs/dbraw/zinc/86/66/04/1028866604.db2.gz BRGQXVYIMWTWFO-MRXNPFEDSA-N 2 2 327.516 4.165 20 0 EIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214718 1028945091 /nfs/dbraw/zinc/94/50/91/1028945091.db2.gz QCFGQXKNOHLGRC-TZMCWYRMSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214718 1028945122 /nfs/dbraw/zinc/94/51/22/1028945122.db2.gz QCFGQXKNOHLGRC-TZMCWYRMSA-N 2 2 335.904 4.023 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428430026 1029125560 /nfs/dbraw/zinc/12/55/60/1029125560.db2.gz GUEYEGXSAWATCT-APWZRJJASA-N 2 2 341.499 4.107 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428430026 1029125567 /nfs/dbraw/zinc/12/55/67/1029125567.db2.gz GUEYEGXSAWATCT-APWZRJJASA-N 2 2 341.499 4.107 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151131553 1029142455 /nfs/dbraw/zinc/14/24/55/1029142455.db2.gz JIHSUXGPHNCCPC-STQMWFEESA-N 2 2 342.270 4.026 20 0 EIADLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157935968 1029287875 /nfs/dbraw/zinc/28/78/75/1029287875.db2.gz WIKYXDQVCGRQDY-MOPGFXCFSA-N 3 2 340.515 4.035 20 0 EIADLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157935968 1029287896 /nfs/dbraw/zinc/28/78/96/1029287896.db2.gz WIKYXDQVCGRQDY-MOPGFXCFSA-N 3 2 340.515 4.035 20 0 EIADLP Cc1ccc(C[N@@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168056920 1029319079 /nfs/dbraw/zinc/31/90/79/1029319079.db2.gz JZMZQLTVVVTSIY-RTBURBONSA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(C[N@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168056920 1029319098 /nfs/dbraw/zinc/31/90/98/1029319098.db2.gz JZMZQLTVVVTSIY-RTBURBONSA-N 2 2 337.511 4.263 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1C ZINC000475329513 1029538636 /nfs/dbraw/zinc/53/86/36/1029538636.db2.gz LYLZVGBBMFLMPS-MKVYSWTASA-N 2 2 332.454 4.206 20 0 EIADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475330652 1029541149 /nfs/dbraw/zinc/54/11/49/1029541149.db2.gz CQAZQOCUMHVUIS-VBJONLRCSA-N 2 2 332.454 4.208 20 0 EIADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475330651 1029541716 /nfs/dbraw/zinc/54/17/16/1029541716.db2.gz CQAZQOCUMHVUIS-QBBMROGASA-N 2 2 332.454 4.208 20 0 EIADLP CC[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475342191 1029557435 /nfs/dbraw/zinc/55/74/35/1029557435.db2.gz KHKKKQWYHHOIRR-OBTMHIKCSA-N 2 2 332.454 4.350 20 0 EIADLP CC(C)[NH+]1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000446900593 1029630089 /nfs/dbraw/zinc/63/00/89/1029630089.db2.gz PLLNSHXMPCXQTB-UHFFFAOYSA-N 2 2 338.499 4.171 20 0 EIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)C1 ZINC000446907880 1029636492 /nfs/dbraw/zinc/63/64/92/1029636492.db2.gz ZTIILTKKCJQGQA-UWJYYQICSA-N 2 2 341.543 4.093 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000447092016 1029686579 /nfs/dbraw/zinc/68/65/79/1029686579.db2.gz WYVZCURFOVYZDP-UHFFFAOYSA-N 2 2 339.414 4.054 20 0 EIADLP Cc1cccc(C[NH+]2CCC([NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000159355883 1029700998 /nfs/dbraw/zinc/70/09/98/1029700998.db2.gz HRQWCPURFIUKJN-GOSISDBHSA-N 2 2 340.515 4.088 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657837865 1029713683 /nfs/dbraw/zinc/71/36/83/1029713683.db2.gz WNQIWVQGRGXEID-SFHVURJKSA-N 2 2 343.902 4.315 20 0 EIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667191 1029868508 /nfs/dbraw/zinc/86/85/08/1029868508.db2.gz BFFHUPIEYYSMHB-YYWHXJBOSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000092073653 1029899095 /nfs/dbraw/zinc/89/90/95/1029899095.db2.gz HSOJHHPLCPHDLW-ZFWWWQNUSA-N 2 2 348.288 4.155 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000092073653 1029899096 /nfs/dbraw/zinc/89/90/96/1029899096.db2.gz HSOJHHPLCPHDLW-ZFWWWQNUSA-N 2 2 348.288 4.155 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071840 1029899579 /nfs/dbraw/zinc/89/95/79/1029899579.db2.gz WRPQTTZCAISSLK-OAHLLOKOSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071840 1029899583 /nfs/dbraw/zinc/89/95/83/1029899583.db2.gz WRPQTTZCAISSLK-OAHLLOKOSA-N 2 2 339.414 4.497 20 0 EIADLP CCCc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000183686032 1030015858 /nfs/dbraw/zinc/01/58/58/1030015858.db2.gz RLUYTFMISXVUAN-CQSZACIVSA-N 2 2 340.496 4.441 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)n2)cc1 ZINC000183674969 1030031117 /nfs/dbraw/zinc/03/11/17/1030031117.db2.gz DWRHCGVCOBHAKG-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC001143456915 1030159910 /nfs/dbraw/zinc/15/99/10/1030159910.db2.gz CJBFEHANHNYPQM-KRWDZBQOSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC001143456915 1030159925 /nfs/dbraw/zinc/15/99/25/1030159925.db2.gz CJBFEHANHNYPQM-KRWDZBQOSA-N 2 2 336.357 4.062 20 0 EIADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530216268 1030225227 /nfs/dbraw/zinc/22/52/27/1030225227.db2.gz ABHVEPNVCXJYIB-NVXWUHKLSA-N 2 2 339.508 4.062 20 0 EIADLP C[NH+](C)C1CC[NH+](Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000447736119 1030313423 /nfs/dbraw/zinc/31/34/23/1030313423.db2.gz JSWPUIUTXIIWKN-UHFFFAOYSA-N 2 2 328.431 4.144 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000188026896 1030381569 /nfs/dbraw/zinc/38/15/69/1030381569.db2.gz IRENOTPKTMAFJV-ORYQWCPZSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(F)c1 ZINC000188026896 1030381588 /nfs/dbraw/zinc/38/15/88/1030381588.db2.gz IRENOTPKTMAFJV-ORYQWCPZSA-N 2 2 341.474 4.172 20 0 EIADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188040535 1030382181 /nfs/dbraw/zinc/38/21/81/1030382181.db2.gz GWNJLONHMIKEMS-IBGZPJMESA-N 2 2 332.463 4.036 20 0 EIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447893708 1030404250 /nfs/dbraw/zinc/40/42/50/1030404250.db2.gz PLPJFSJRWVDXRO-HUUCEWRRSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447893708 1030404271 /nfs/dbraw/zinc/40/42/71/1030404271.db2.gz PLPJFSJRWVDXRO-HUUCEWRRSA-N 2 2 335.561 4.183 20 0 EIADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000527034232 1030415543 /nfs/dbraw/zinc/41/55/43/1030415543.db2.gz MHBQCDWXPDXGBR-QGZVFWFLSA-N 2 2 348.288 4.093 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)cc1 ZINC000685629538 1030593332 /nfs/dbraw/zinc/59/33/32/1030593332.db2.gz HEDAPUDYWXXZAX-SFHVURJKSA-N 2 2 337.854 4.377 20 0 EIADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000192014078 1030666275 /nfs/dbraw/zinc/66/62/75/1030666275.db2.gz GUDHFLKASCIMBE-HNNXBMFYSA-N 2 2 340.496 4.447 20 0 EIADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000192014078 1030666287 /nfs/dbraw/zinc/66/62/87/1030666287.db2.gz GUDHFLKASCIMBE-HNNXBMFYSA-N 2 2 340.496 4.447 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657980202 1030734343 /nfs/dbraw/zinc/73/43/43/1030734343.db2.gz LRKUFIVNMYEGJO-HFTRVMKXSA-N 2 2 329.875 4.167 20 0 EIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2c(F)ccc(F)c2Cl)ccc1F ZINC000527660895 1030804636 /nfs/dbraw/zinc/80/46/36/1030804636.db2.gz JZQYUMMHEBICAS-UHFFFAOYSA-N 2 2 342.792 4.109 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143718 1030915988 /nfs/dbraw/zinc/91/59/88/1030915988.db2.gz XORFKNTVGPZHPF-WMLDXEAASA-N 2 2 347.890 4.300 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143718 1030916004 /nfs/dbraw/zinc/91/60/04/1030916004.db2.gz XORFKNTVGPZHPF-WMLDXEAASA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143718 1030916023 /nfs/dbraw/zinc/91/60/23/1030916023.db2.gz XORFKNTVGPZHPF-WMLDXEAASA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143718 1030916044 /nfs/dbraw/zinc/91/60/44/1030916044.db2.gz XORFKNTVGPZHPF-WMLDXEAASA-N 2 2 347.890 4.300 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143717 1030917109 /nfs/dbraw/zinc/91/71/09/1030917109.db2.gz XORFKNTVGPZHPF-RHSMWYFYSA-N 2 2 347.890 4.300 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143717 1030917133 /nfs/dbraw/zinc/91/71/33/1030917133.db2.gz XORFKNTVGPZHPF-RHSMWYFYSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143717 1030917160 /nfs/dbraw/zinc/91/71/60/1030917160.db2.gz XORFKNTVGPZHPF-RHSMWYFYSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143717 1030917177 /nfs/dbraw/zinc/91/71/77/1030917177.db2.gz XORFKNTVGPZHPF-RHSMWYFYSA-N 2 2 347.890 4.300 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000658292853 1030958579 /nfs/dbraw/zinc/95/85/79/1030958579.db2.gz CDRCWNKCOPJWNO-SIKLNZKXSA-N 2 2 338.495 4.134 20 0 EIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294478 1030960699 /nfs/dbraw/zinc/96/06/99/1030960699.db2.gz HXKFUFKVWBCVFS-WOJBJXKFSA-N 2 2 336.564 4.214 20 0 EIADLP c1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527965296 1031007412 /nfs/dbraw/zinc/00/74/12/1031007412.db2.gz JDYJNZXSUGATEH-JOCHJYFZSA-N 2 2 335.495 4.177 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000532451612 1031086617 /nfs/dbraw/zinc/08/66/17/1031086617.db2.gz DPDZYDMZNJSTIH-GFCCVEGCSA-N 2 2 345.350 4.282 20 0 EIADLP Cc1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000548885453 1031117336 /nfs/dbraw/zinc/11/73/36/1031117336.db2.gz VRNGOOBCPAMSFI-OAQYLSRUSA-N 2 2 337.442 4.490 20 0 EIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Br ZINC000532479816 1031213244 /nfs/dbraw/zinc/21/32/44/1031213244.db2.gz WOPHLYSIKZQJNS-INIZCTEOSA-N 2 2 336.277 4.167 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1sccc1Br ZINC000531738839 1031518103 /nfs/dbraw/zinc/51/81/03/1031518103.db2.gz ZGOCTBPXWZMALL-SRVKXCTJSA-N 2 2 331.323 4.034 20 0 EIADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000449348190 1031646385 /nfs/dbraw/zinc/64/63/85/1031646385.db2.gz FXONQDYEMHCKFZ-FQEVSTJZSA-N 2 2 339.389 4.318 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981018 1031646662 /nfs/dbraw/zinc/64/66/62/1031646662.db2.gz NUZQGLZOWSJFGQ-MALNDZBISA-N 2 2 349.522 4.174 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981018 1031646673 /nfs/dbraw/zinc/64/66/73/1031646673.db2.gz NUZQGLZOWSJFGQ-MALNDZBISA-N 2 2 349.522 4.174 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453217764 1031735977 /nfs/dbraw/zinc/73/59/77/1031735977.db2.gz JHQNVEXHNATKOF-WBVHZDCISA-N 2 2 335.476 4.412 20 0 EIADLP c1csc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)c1 ZINC000047971100 1031822252 /nfs/dbraw/zinc/82/22/52/1031822252.db2.gz NDBOEVQVFOPBGU-UHFFFAOYSA-N 2 2 347.553 4.179 20 0 EIADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168263166 1031859678 /nfs/dbraw/zinc/85/96/78/1031859678.db2.gz BNSLMHNPSFBANM-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168263166 1031859680 /nfs/dbraw/zinc/85/96/80/1031859680.db2.gz BNSLMHNPSFBANM-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168263166 1031859683 /nfs/dbraw/zinc/85/96/83/1031859683.db2.gz BNSLMHNPSFBANM-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168263166 1031859688 /nfs/dbraw/zinc/85/96/88/1031859688.db2.gz BNSLMHNPSFBANM-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CSc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000531957639 1031874402 /nfs/dbraw/zinc/87/44/02/1031874402.db2.gz MWDIMDUNIURFHM-AWEZNQCLSA-N 2 2 333.476 4.486 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394301 1031960989 /nfs/dbraw/zinc/96/09/89/1031960989.db2.gz ISMOLVSQEYFXGA-XLIONFOSSA-N 2 2 327.516 4.018 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394301 1031961003 /nfs/dbraw/zinc/96/10/03/1031961003.db2.gz ISMOLVSQEYFXGA-XLIONFOSSA-N 2 2 327.516 4.018 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866456 1033488530 /nfs/dbraw/zinc/48/85/30/1033488530.db2.gz XNIPHBHOTAENEA-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866456 1033488542 /nfs/dbraw/zinc/48/85/42/1033488542.db2.gz XNIPHBHOTAENEA-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866456 1033488556 /nfs/dbraw/zinc/48/85/56/1033488556.db2.gz XNIPHBHOTAENEA-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866456 1033488566 /nfs/dbraw/zinc/48/85/66/1033488566.db2.gz XNIPHBHOTAENEA-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512772674 1033904021 /nfs/dbraw/zinc/90/40/21/1033904021.db2.gz CWTVGMGTGQYLTH-HXUWFJFHSA-N 2 2 347.462 4.465 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512772674 1033904036 /nfs/dbraw/zinc/90/40/36/1033904036.db2.gz CWTVGMGTGQYLTH-HXUWFJFHSA-N 2 2 347.462 4.465 20 0 EIADLP Fc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(F)cc1Cl ZINC000433202793 1034030052 /nfs/dbraw/zinc/03/00/52/1034030052.db2.gz UDFZNNTYATZCOV-UHFFFAOYSA-N 2 2 339.798 4.155 20 0 EIADLP Cc1cccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000513083418 1034504261 /nfs/dbraw/zinc/50/42/61/1034504261.db2.gz PAVNGODFEOIAIG-UHFFFAOYSA-N 2 2 342.449 4.279 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000513101881 1034580799 /nfs/dbraw/zinc/58/07/99/1034580799.db2.gz UZWKOYJMXWQBGL-UHFFFAOYSA-N 2 2 338.495 4.325 20 0 EIADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000513406224 1034919090 /nfs/dbraw/zinc/91/90/90/1034919090.db2.gz OKUZVLNIOWZRMC-KRWDZBQOSA-N 2 2 335.561 4.355 20 0 EIADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000513406224 1034919106 /nfs/dbraw/zinc/91/91/06/1034919106.db2.gz OKUZVLNIOWZRMC-KRWDZBQOSA-N 2 2 335.561 4.355 20 0 EIADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000513472901 1034977245 /nfs/dbraw/zinc/97/72/45/1034977245.db2.gz NXWPPDIIKVBTLJ-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000513472901 1034977248 /nfs/dbraw/zinc/97/72/48/1034977248.db2.gz NXWPPDIIKVBTLJ-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP CC[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018927 1035064030 /nfs/dbraw/zinc/06/40/30/1035064030.db2.gz UACRLQYZGBHSOZ-NYVOZVTQSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018927 1035064043 /nfs/dbraw/zinc/06/40/43/1035064043.db2.gz UACRLQYZGBHSOZ-NYVOZVTQSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018927 1035064053 /nfs/dbraw/zinc/06/40/53/1035064053.db2.gz UACRLQYZGBHSOZ-NYVOZVTQSA-N 2 2 337.511 4.200 20 0 EIADLP CC[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434018927 1035064067 /nfs/dbraw/zinc/06/40/67/1035064067.db2.gz UACRLQYZGBHSOZ-NYVOZVTQSA-N 2 2 337.511 4.200 20 0 EIADLP CC[NH+](CC)Cc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000345422232 1035217348 /nfs/dbraw/zinc/21/73/48/1035217348.db2.gz UJGFNULIGNMMKK-UHFFFAOYSA-N 2 2 340.496 4.388 20 0 EIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345694438 1035281979 /nfs/dbraw/zinc/28/19/79/1035281979.db2.gz KLEWDFIPKYKBBT-GFCCVEGCSA-N 2 2 345.397 4.095 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313500 1035508305 /nfs/dbraw/zinc/50/83/05/1035508305.db2.gz UEAYTPCVUDVUED-LIRRHRJNSA-N 2 2 345.874 4.050 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313500 1035508314 /nfs/dbraw/zinc/50/83/14/1035508314.db2.gz UEAYTPCVUDVUED-LIRRHRJNSA-N 2 2 345.874 4.050 20 0 EIADLP CC[C@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000414497288 1036044076 /nfs/dbraw/zinc/04/40/76/1036044076.db2.gz SJZNJGNPWQTXMA-INIZCTEOSA-N 2 2 329.513 4.151 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000156592832 1036051129 /nfs/dbraw/zinc/05/11/29/1036051129.db2.gz QJSDZLJIIJPCDX-GXTWGEPZSA-N 2 2 344.471 4.145 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000156592832 1036051150 /nfs/dbraw/zinc/05/11/50/1036051150.db2.gz QJSDZLJIIJPCDX-GXTWGEPZSA-N 2 2 344.471 4.145 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306925 1036067593 /nfs/dbraw/zinc/06/75/93/1036067593.db2.gz DESQAVJDMQAOEX-AEFFLSMTSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306925 1036067606 /nfs/dbraw/zinc/06/76/06/1036067606.db2.gz DESQAVJDMQAOEX-AEFFLSMTSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571690105 1036125772 /nfs/dbraw/zinc/12/57/72/1036125772.db2.gz YSXVTETYJYNWHN-YZVAWVHESA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571690105 1036125776 /nfs/dbraw/zinc/12/57/76/1036125776.db2.gz YSXVTETYJYNWHN-YZVAWVHESA-N 2 2 336.479 4.151 20 0 EIADLP Brc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000588161148 1036231267 /nfs/dbraw/zinc/23/12/67/1036231267.db2.gz GKOCIBQEFFOMIP-CHWSQXEVSA-N 2 2 346.272 4.036 20 0 EIADLP Brc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000588161148 1036231287 /nfs/dbraw/zinc/23/12/87/1036231287.db2.gz GKOCIBQEFFOMIP-CHWSQXEVSA-N 2 2 346.272 4.036 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668574962 1036430513 /nfs/dbraw/zinc/43/05/13/1036430513.db2.gz FDXSYGBDBSKCPJ-UTKZUKDTSA-N 2 2 349.478 4.020 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668574959 1036430993 /nfs/dbraw/zinc/43/09/93/1036430993.db2.gz FDXSYGBDBSKCPJ-DYESRHJHSA-N 2 2 349.478 4.020 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1Cl ZINC000421827955 1036786051 /nfs/dbraw/zinc/78/60/51/1036786051.db2.gz AGBNYNPTOCJWHR-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1Cl ZINC000421827955 1036786055 /nfs/dbraw/zinc/78/60/55/1036786055.db2.gz AGBNYNPTOCJWHR-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271754116 1037005404 /nfs/dbraw/zinc/00/54/04/1037005404.db2.gz WPUSQKROGJNTEX-HNNXBMFYSA-N 2 2 344.890 4.043 20 0 EIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271754116 1037005425 /nfs/dbraw/zinc/00/54/25/1037005425.db2.gz WPUSQKROGJNTEX-HNNXBMFYSA-N 2 2 344.890 4.043 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000487270620 1037087051 /nfs/dbraw/zinc/08/70/51/1037087051.db2.gz APNHKDLLKZKRBO-UHFFFAOYSA-N 2 2 341.842 4.214 20 0 EIADLP Cc1ccccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272184326 1037119851 /nfs/dbraw/zinc/11/98/51/1037119851.db2.gz GFAFTJBZYBVZMN-KRWDZBQOSA-N 2 2 338.499 4.094 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC000272607824 1037242943 /nfs/dbraw/zinc/24/29/43/1037242943.db2.gz VQSLYMBUXKTKAN-UHFFFAOYSA-N 2 2 340.433 4.016 20 0 EIADLP COCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000272693346 1037270071 /nfs/dbraw/zinc/27/00/71/1037270071.db2.gz XKCLFQPMEWGTLQ-LPHOPBHVSA-N 2 2 339.439 4.202 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000604415139 1037382755 /nfs/dbraw/zinc/38/27/55/1037382755.db2.gz XKDZCCPBCJWNLM-HOTGVXAUSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000604415139 1037382773 /nfs/dbraw/zinc/38/27/73/1037382773.db2.gz XKDZCCPBCJWNLM-HOTGVXAUSA-N 2 2 328.431 4.111 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273290083 1037401898 /nfs/dbraw/zinc/40/18/98/1037401898.db2.gz POVKMWHRIPSDAR-AEFFLSMTSA-N 2 2 339.483 4.084 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273290083 1037401917 /nfs/dbraw/zinc/40/19/17/1037401917.db2.gz POVKMWHRIPSDAR-AEFFLSMTSA-N 2 2 339.483 4.084 20 0 EIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000488304557 1037497474 /nfs/dbraw/zinc/49/74/74/1037497474.db2.gz WMFRDGBOXQWNLY-QGZVFWFLSA-N 2 2 343.490 4.251 20 0 EIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000488304557 1037497488 /nfs/dbraw/zinc/49/74/88/1037497488.db2.gz WMFRDGBOXQWNLY-QGZVFWFLSA-N 2 2 343.490 4.251 20 0 EIADLP c1ccc([C@@H]2CCC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000488392593 1037561182 /nfs/dbraw/zinc/56/11/82/1037561182.db2.gz QNALJOMYXOXJON-CTNGQTDRSA-N 2 2 335.495 4.366 20 0 EIADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000760905129 1037653247 /nfs/dbraw/zinc/65/32/47/1037653247.db2.gz IQEJITZWUCGMHT-AWEZNQCLSA-N 2 2 343.437 4.042 20 0 EIADLP [NH3+]C1CC[NH+](Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000414656486 1037686463 /nfs/dbraw/zinc/68/64/63/1037686463.db2.gz NAXBFRRRAWASJW-UHFFFAOYSA-N 2 2 334.822 4.195 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435446 1037756088 /nfs/dbraw/zinc/75/60/88/1037756088.db2.gz MEMPVLBDAJQBBS-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435446 1037756115 /nfs/dbraw/zinc/75/61/15/1037756115.db2.gz MEMPVLBDAJQBBS-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433955 1037757083 /nfs/dbraw/zinc/75/70/83/1037757083.db2.gz JUNSIIYEDZOVHN-AZUAARDMSA-N 2 2 337.511 4.420 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433955 1037757097 /nfs/dbraw/zinc/75/70/97/1037757097.db2.gz JUNSIIYEDZOVHN-AZUAARDMSA-N 2 2 337.511 4.420 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ccccc21 ZINC000422711487 1037804386 /nfs/dbraw/zinc/80/43/86/1037804386.db2.gz NESNNARUBIRPFE-XZOQPEGZSA-N 3 2 349.522 4.297 20 0 EIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422740254 1037821628 /nfs/dbraw/zinc/82/16/28/1037821628.db2.gz BJZHZMNFODVQQN-XQBPLPMBSA-N 3 2 343.559 4.112 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)c2ccccc21 ZINC000422937482 1037875540 /nfs/dbraw/zinc/87/55/40/1037875540.db2.gz CMXBZUYFXIVGHT-DLBZAZTESA-N 2 2 343.268 4.173 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)c2ccccc21 ZINC000422937485 1037875601 /nfs/dbraw/zinc/87/56/01/1037875601.db2.gz CMXBZUYFXIVGHT-SJORKVTESA-N 2 2 343.268 4.173 20 0 EIADLP Cc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccc(Cl)cc1 ZINC000422942593 1037878609 /nfs/dbraw/zinc/87/86/09/1037878609.db2.gz JJHMHYBOYSYETP-XYPWUTKMSA-N 2 2 347.915 4.145 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000423024204 1037910943 /nfs/dbraw/zinc/91/09/43/1037910943.db2.gz IQUMCTHFVCJZOY-KURKYZTESA-N 2 2 328.843 4.288 20 0 EIADLP Cc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc2)cc1 ZINC000423181838 1038034414 /nfs/dbraw/zinc/03/44/14/1038034414.db2.gz DCVJIRHRJYMSTC-HSZRJFAPSA-N 2 2 345.490 4.249 20 0 EIADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)CCC2 ZINC000423248010 1038080445 /nfs/dbraw/zinc/08/04/45/1038080445.db2.gz REUGPRWXWLANAH-SJORKVTESA-N 2 2 329.513 4.242 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)sc1Br ZINC000423250724 1038082864 /nfs/dbraw/zinc/08/28/64/1038082864.db2.gz QXYPECZUPMIQRG-YPMHNXCESA-N 2 2 339.302 4.170 20 0 EIADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001168402830 1038182590 /nfs/dbraw/zinc/18/25/90/1038182590.db2.gz HBGMCUYWOYPGLG-FGZHOGPDSA-N 2 2 338.470 4.110 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395189 1038202979 /nfs/dbraw/zinc/20/29/79/1038202979.db2.gz NGESZXGOKITFQF-JTSKRJEESA-N 2 2 333.479 4.236 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000423527734 1038279425 /nfs/dbraw/zinc/27/94/25/1038279425.db2.gz MPAOZMILJDEOLO-PDIWNELESA-N 2 2 343.474 4.155 20 0 EIADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574726700 1038320840 /nfs/dbraw/zinc/32/08/40/1038320840.db2.gz NZTGZHYYOGEENC-SJPCQFCGSA-N 2 2 333.545 4.248 20 0 EIADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574726700 1038320849 /nfs/dbraw/zinc/32/08/49/1038320849.db2.gz NZTGZHYYOGEENC-SJPCQFCGSA-N 2 2 333.545 4.248 20 0 EIADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574726700 1038320861 /nfs/dbraw/zinc/32/08/61/1038320861.db2.gz NZTGZHYYOGEENC-SJPCQFCGSA-N 2 2 333.545 4.248 20 0 EIADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574726700 1038320874 /nfs/dbraw/zinc/32/08/74/1038320874.db2.gz NZTGZHYYOGEENC-SJPCQFCGSA-N 2 2 333.545 4.248 20 0 EIADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000490128995 1038350961 /nfs/dbraw/zinc/35/09/61/1038350961.db2.gz BKRXKDJXYIFBAP-HSZRJFAPSA-N 2 2 345.490 4.450 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171832 1038370844 /nfs/dbraw/zinc/37/08/44/1038370844.db2.gz ISDGUIRBPJWVAS-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171832 1038370862 /nfs/dbraw/zinc/37/08/62/1038370862.db2.gz ISDGUIRBPJWVAS-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059260098 1038390925 /nfs/dbraw/zinc/39/09/25/1038390925.db2.gz RZRYBSBEMKJNFN-IBGZPJMESA-N 2 2 341.430 4.487 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000608069653 1038484379 /nfs/dbraw/zinc/48/43/79/1038484379.db2.gz DLYXSLJUQOSCQA-SFHVURJKSA-N 2 2 325.843 4.147 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000424155702 1038661033 /nfs/dbraw/zinc/66/10/33/1038661033.db2.gz LIEVRTQXNFDYAA-UHFFFAOYSA-N 2 2 340.515 4.351 20 0 EIADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000480746894 1038783030 /nfs/dbraw/zinc/78/30/30/1038783030.db2.gz SGIFYYKZPCSIMI-FQEVSTJZSA-N 2 2 325.500 4.447 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480756796 1038798016 /nfs/dbraw/zinc/79/80/16/1038798016.db2.gz AGDNEUYGKWAXCY-PBHICJAKSA-N 2 2 328.422 4.218 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480756796 1038798038 /nfs/dbraw/zinc/79/80/38/1038798038.db2.gz AGDNEUYGKWAXCY-PBHICJAKSA-N 2 2 328.422 4.218 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539199595 1038876941 /nfs/dbraw/zinc/87/69/41/1038876941.db2.gz IGCUYQAGXBSHIB-FQEVSTJZSA-N 2 2 348.506 4.064 20 0 EIADLP COc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550754224 1038899206 /nfs/dbraw/zinc/89/92/06/1038899206.db2.gz RISJLTJIYDIYOO-FPOVZHCZSA-N 2 2 336.479 4.109 20 0 EIADLP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550754224 1038899215 /nfs/dbraw/zinc/89/92/15/1038899215.db2.gz RISJLTJIYDIYOO-FPOVZHCZSA-N 2 2 336.479 4.109 20 0 EIADLP CC[NH+]1CCC([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000539309541 1038951077 /nfs/dbraw/zinc/95/10/77/1038951077.db2.gz PRLSAVLCPFWURX-FQEVSTJZSA-N 2 2 342.458 4.020 20 0 EIADLP Cc1ccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000534127450 1039144056 /nfs/dbraw/zinc/14/40/56/1039144056.db2.gz BUCJWNZOPPZKCL-UHFFFAOYSA-N 2 2 339.483 4.044 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000120748178 1039193753 /nfs/dbraw/zinc/19/37/53/1039193753.db2.gz KLZAKUVVBONECR-RFWXGWTQSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000120748178 1039193770 /nfs/dbraw/zinc/19/37/70/1039193770.db2.gz KLZAKUVVBONECR-RFWXGWTQSA-N 2 2 349.522 4.002 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000090418886 1039227844 /nfs/dbraw/zinc/22/78/44/1039227844.db2.gz MDTWJQSTAKJQGG-RVKKMQEKSA-N 2 2 329.513 4.155 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000090418886 1039227870 /nfs/dbraw/zinc/22/78/70/1039227870.db2.gz MDTWJQSTAKJQGG-RVKKMQEKSA-N 2 2 329.513 4.155 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090845070 1039306970 /nfs/dbraw/zinc/30/69/70/1039306970.db2.gz KAPKFWBBRXXMSH-FTRWYGJKSA-N 2 2 333.435 4.088 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C3)cs1 ZINC000093259755 1039651521 /nfs/dbraw/zinc/65/15/21/1039651521.db2.gz OZIPFSYFNWJOFE-HNNXBMFYSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C3)cs1 ZINC000093259755 1039651540 /nfs/dbraw/zinc/65/15/40/1039651540.db2.gz OZIPFSYFNWJOFE-HNNXBMFYSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C3)cs1 ZINC000093259755 1039651563 /nfs/dbraw/zinc/65/15/63/1039651563.db2.gz OZIPFSYFNWJOFE-HNNXBMFYSA-N 2 2 347.553 4.022 20 0 EIADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C3)cs1 ZINC000093259755 1039651576 /nfs/dbraw/zinc/65/15/76/1039651576.db2.gz OZIPFSYFNWJOFE-HNNXBMFYSA-N 2 2 347.553 4.022 20 0 EIADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(C)ccc1OC ZINC000093397975 1039689056 /nfs/dbraw/zinc/68/90/56/1039689056.db2.gz CPEYUSHMTHDUMB-LJQANCHMSA-N 2 2 339.483 4.108 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CCC2 ZINC000534862737 1039829566 /nfs/dbraw/zinc/82/95/66/1039829566.db2.gz OOXHDTNXYNFGON-LJQANCHMSA-N 2 2 325.431 4.175 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998805 1039941717 /nfs/dbraw/zinc/94/17/17/1039941717.db2.gz JIXBGOSKATWSSH-DHIUTWEWSA-N 2 2 349.522 4.423 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998805 1039941738 /nfs/dbraw/zinc/94/17/38/1039941738.db2.gz JIXBGOSKATWSSH-DHIUTWEWSA-N 2 2 349.522 4.423 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000162907699 1040124747 /nfs/dbraw/zinc/12/47/47/1040124747.db2.gz FAOICWGPGDVNRA-AWEZNQCLSA-N 2 2 335.398 4.226 20 0 EIADLP Clc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511428 1040271663 /nfs/dbraw/zinc/27/16/63/1040271663.db2.gz WQTVOWMWQJPLQO-RDTXWAMCSA-N 2 2 341.886 4.341 20 0 EIADLP Clc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511428 1040271684 /nfs/dbraw/zinc/27/16/84/1040271684.db2.gz WQTVOWMWQJPLQO-RDTXWAMCSA-N 2 2 341.886 4.341 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479331211 1040277220 /nfs/dbraw/zinc/27/72/20/1040277220.db2.gz PDNYGZFRNJKCHN-LRDDRELGSA-N 2 2 348.288 4.046 20 0 EIADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000479358154 1040285818 /nfs/dbraw/zinc/28/58/18/1040285818.db2.gz ZYZCGNWJPBWTNI-LJQANCHMSA-N 2 2 333.426 4.027 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482623083 1040400610 /nfs/dbraw/zinc/40/06/10/1040400610.db2.gz YJGOWTRTLHDDRJ-OAQYLSRUSA-N 2 2 346.559 4.041 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492038 1040401734 /nfs/dbraw/zinc/40/17/34/1040401734.db2.gz UNWMOMVEEKMUSS-LHUBUQBQSA-N 2 2 332.454 4.350 20 0 EIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000479524229 1040421933 /nfs/dbraw/zinc/42/19/33/1040421933.db2.gz HSEDVGUMJRAPHX-VMBOVVBDSA-N 2 2 338.442 4.346 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000479522196 1040422200 /nfs/dbraw/zinc/42/22/00/1040422200.db2.gz AUEAUXMHGWXSEZ-RJYAGPCLSA-N 2 2 348.918 4.469 20 0 EIADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000553737779 1040459739 /nfs/dbraw/zinc/45/97/39/1040459739.db2.gz SXBIHNIRWKJGKG-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(C)(C)c1ccccc1)CCC2 ZINC000539496638 1040488973 /nfs/dbraw/zinc/48/89/73/1040488973.db2.gz PVCXJGMEBDMPDN-WMZOPIPTSA-N 2 2 325.500 4.415 20 0 EIADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000515149796 1040508921 /nfs/dbraw/zinc/50/89/21/1040508921.db2.gz KLPPMLVGLNADJX-IBGZPJMESA-N 2 2 333.479 4.351 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200554 1040550381 /nfs/dbraw/zinc/55/03/81/1040550381.db2.gz OFYHEOPGTRHLEZ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200554 1040550403 /nfs/dbraw/zinc/55/04/03/1040550403.db2.gz OFYHEOPGTRHLEZ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200554 1040550420 /nfs/dbraw/zinc/55/04/20/1040550420.db2.gz OFYHEOPGTRHLEZ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000515200554 1040550434 /nfs/dbraw/zinc/55/04/34/1040550434.db2.gz OFYHEOPGTRHLEZ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539654434 1040646249 /nfs/dbraw/zinc/64/62/49/1040646249.db2.gz IBAUNCBGIKHPOF-PKOBYXMFSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539654434 1040646258 /nfs/dbraw/zinc/64/62/58/1040646258.db2.gz IBAUNCBGIKHPOF-PKOBYXMFSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539654431 1040646529 /nfs/dbraw/zinc/64/65/29/1040646529.db2.gz IBAUNCBGIKHPOF-HKUYNNGSSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539654431 1040646536 /nfs/dbraw/zinc/64/65/36/1040646536.db2.gz IBAUNCBGIKHPOF-HKUYNNGSSA-N 2 2 338.470 4.458 20 0 EIADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000435881608 1040685953 /nfs/dbraw/zinc/68/59/53/1040685953.db2.gz VPZVYSFXAQPOHY-QGZVFWFLSA-N 2 2 327.472 4.211 20 0 EIADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000435881608 1040685965 /nfs/dbraw/zinc/68/59/65/1040685965.db2.gz VPZVYSFXAQPOHY-QGZVFWFLSA-N 2 2 327.472 4.211 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124333 1040715160 /nfs/dbraw/zinc/71/51/60/1040715160.db2.gz GVDYJBJHJWQNLM-JTSKRJEESA-N 2 2 336.479 4.032 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124333 1040715187 /nfs/dbraw/zinc/71/51/87/1040715187.db2.gz GVDYJBJHJWQNLM-JTSKRJEESA-N 2 2 336.479 4.032 20 0 EIADLP CCCCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000539818839 1040812709 /nfs/dbraw/zinc/81/27/09/1040812709.db2.gz BGXVRPAHYFSAAE-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000539818839 1040812711 /nfs/dbraw/zinc/81/27/11/1040812711.db2.gz BGXVRPAHYFSAAE-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000539818839 1040812717 /nfs/dbraw/zinc/81/27/17/1040812717.db2.gz BGXVRPAHYFSAAE-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000539818839 1040812721 /nfs/dbraw/zinc/81/27/21/1040812721.db2.gz BGXVRPAHYFSAAE-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(Cl)c1 ZINC000436045940 1040837254 /nfs/dbraw/zinc/83/72/54/1040837254.db2.gz AAZMLIUXAPEVHS-GJZGRUSLSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(Cl)c1 ZINC000436045940 1040837262 /nfs/dbraw/zinc/83/72/62/1040837262.db2.gz AAZMLIUXAPEVHS-GJZGRUSLSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000436056110 1040842453 /nfs/dbraw/zinc/84/24/53/1040842453.db2.gz YMIPFNPGQUBLBO-SFHVURJKSA-N 2 2 343.540 4.187 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000436056110 1040842467 /nfs/dbraw/zinc/84/24/67/1040842467.db2.gz YMIPFNPGQUBLBO-SFHVURJKSA-N 2 2 343.540 4.187 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C)CCC2 ZINC000483441245 1040861149 /nfs/dbraw/zinc/86/11/49/1040861149.db2.gz PSNDQKHMVSMSOP-VQTJNVASSA-N 2 2 325.500 4.234 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(C(F)(F)F)cc1Cl ZINC000924733028 1040879895 /nfs/dbraw/zinc/87/98/95/1040879895.db2.gz QUBRZXPSZJTJAH-NSHDSACASA-N 2 2 346.784 4.081 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(Cl)cc1 ZINC000462757707 1040905006 /nfs/dbraw/zinc/90/50/06/1040905006.db2.gz RUOKDZJSNCZBAO-HNNXBMFYSA-N 2 2 341.842 4.083 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483618647 1040914549 /nfs/dbraw/zinc/91/45/49/1040914549.db2.gz GKDLJRAEDLNNTE-JKSUJKDBSA-N 2 2 339.414 4.130 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1C(C)(C)C1(C)C ZINC000537949039 1040916247 /nfs/dbraw/zinc/91/62/47/1040916247.db2.gz PSENQIJAKPRGKC-HZPDHXFCSA-N 2 2 329.532 4.267 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1F ZINC000483629645 1040923118 /nfs/dbraw/zinc/92/31/18/1040923118.db2.gz VQEQXRYFACTKCJ-CVEARBPZSA-N 2 2 339.414 4.130 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OCCC)c1 ZINC000483717598 1040973278 /nfs/dbraw/zinc/97/32/78/1040973278.db2.gz XUGYFHSQBQDULL-SQNIBIBYSA-N 2 2 348.531 4.398 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCC)c1 ZINC000483717598 1040973306 /nfs/dbraw/zinc/97/33/06/1040973306.db2.gz XUGYFHSQBQDULL-SQNIBIBYSA-N 2 2 348.531 4.398 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483804560 1041016161 /nfs/dbraw/zinc/01/61/61/1041016161.db2.gz HCYKRGKTFPYLMS-WIYYLYMNSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483804560 1041016178 /nfs/dbraw/zinc/01/61/78/1041016178.db2.gz HCYKRGKTFPYLMS-WIYYLYMNSA-N 2 2 329.532 4.242 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000480165776 1041025476 /nfs/dbraw/zinc/02/54/76/1041025476.db2.gz FMGUCNZBBQQDBU-FQEVSTJZSA-N 2 2 346.877 4.447 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000484150401 1041142277 /nfs/dbraw/zinc/14/22/77/1041142277.db2.gz CZXARNYNGDRMBL-RTBURBONSA-N 2 2 344.543 4.445 20 0 EIADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](C(C)(C)C)CC3)cc2)c1C ZINC000463037971 1041260850 /nfs/dbraw/zinc/26/08/50/1041260850.db2.gz VYVBXWUVPDRRCE-UHFFFAOYSA-N 2 2 326.488 4.164 20 0 EIADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484490471 1041262203 /nfs/dbraw/zinc/26/22/03/1041262203.db2.gz QPFWXCYCYYFUCS-MAUKXSAKSA-N 2 2 338.586 4.275 20 0 EIADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000515918746 1041264190 /nfs/dbraw/zinc/26/41/90/1041264190.db2.gz SWJZSFJHKYMXLV-AWEZNQCLSA-N 2 2 337.389 4.296 20 0 EIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925009114 1041317508 /nfs/dbraw/zinc/31/75/08/1041317508.db2.gz ABJBCLNTUXPILO-CYBMUJFWSA-N 2 2 346.359 4.114 20 0 EIADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009114 1041317523 /nfs/dbraw/zinc/31/75/23/1041317523.db2.gz ABJBCLNTUXPILO-CYBMUJFWSA-N 2 2 346.359 4.114 20 0 EIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccs1 ZINC000538590712 1041440660 /nfs/dbraw/zinc/44/06/60/1041440660.db2.gz PFYAKOJIPACNOG-KRWDZBQOSA-N 2 2 344.528 4.237 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718937 1041491269 /nfs/dbraw/zinc/49/12/69/1041491269.db2.gz XZJNJSDKMJKRPS-AEFFLSMTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718937 1041491271 /nfs/dbraw/zinc/49/12/71/1041491271.db2.gz XZJNJSDKMJKRPS-AEFFLSMTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718937 1041491273 /nfs/dbraw/zinc/49/12/73/1041491273.db2.gz XZJNJSDKMJKRPS-AEFFLSMTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718937 1041491274 /nfs/dbraw/zinc/49/12/74/1041491274.db2.gz XZJNJSDKMJKRPS-AEFFLSMTSA-N 2 2 343.540 4.423 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730023 1041499888 /nfs/dbraw/zinc/49/98/88/1041499888.db2.gz YVYNDVXWZYBXRG-INIZCTEOSA-N 2 2 334.916 4.355 20 0 EIADLP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730023 1041499903 /nfs/dbraw/zinc/49/99/03/1041499903.db2.gz YVYNDVXWZYBXRG-INIZCTEOSA-N 2 2 334.916 4.355 20 0 EIADLP C[NH+](Cc1ccc(Cl)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730023 1041499912 /nfs/dbraw/zinc/49/99/12/1041499912.db2.gz YVYNDVXWZYBXRG-INIZCTEOSA-N 2 2 334.916 4.355 20 0 EIADLP C[NH+](Cc1ccc(Cl)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730023 1041499917 /nfs/dbraw/zinc/49/99/17/1041499917.db2.gz YVYNDVXWZYBXRG-INIZCTEOSA-N 2 2 334.916 4.355 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000484908978 1041515487 /nfs/dbraw/zinc/51/54/87/1041515487.db2.gz SCZGAYAXZZWWMF-PBHICJAKSA-N 2 2 329.513 4.103 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000484908978 1041515496 /nfs/dbraw/zinc/51/54/96/1041515496.db2.gz SCZGAYAXZZWWMF-PBHICJAKSA-N 2 2 329.513 4.103 20 0 EIADLP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000506874409 1041550944 /nfs/dbraw/zinc/55/09/44/1041550944.db2.gz JSQONJMFUCPTNU-UHFFFAOYSA-N 2 2 344.396 4.152 20 0 EIADLP CCC[C@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000540614640 1041565363 /nfs/dbraw/zinc/56/53/63/1041565363.db2.gz WEDXPKRPKPVJPE-LJQANCHMSA-N 2 2 332.532 4.049 20 0 EIADLP Fc1cccc(CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541201606 1041843910 /nfs/dbraw/zinc/84/39/10/1041843910.db2.gz JDUQXRXXNQZVFJ-UHFFFAOYSA-N 2 2 329.463 4.147 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348327 1041898646 /nfs/dbraw/zinc/89/86/46/1041898646.db2.gz AKOZHBKJLCJWCB-FUHWJXTLSA-N 2 2 329.875 4.423 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348327 1041898649 /nfs/dbraw/zinc/89/86/49/1041898649.db2.gz AKOZHBKJLCJWCB-FUHWJXTLSA-N 2 2 329.875 4.423 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936777 1041985064 /nfs/dbraw/zinc/98/50/64/1041985064.db2.gz JPVZDYSRRQHCGK-PMACEKPBSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936777 1041985069 /nfs/dbraw/zinc/98/50/69/1041985069.db2.gz JPVZDYSRRQHCGK-PMACEKPBSA-N 2 2 343.902 4.093 20 0 EIADLP CC[C@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536592 1041999336 /nfs/dbraw/zinc/99/93/36/1041999336.db2.gz CWDFCQMVGIDHCD-PMACEKPBSA-N 2 2 343.559 4.237 20 0 EIADLP CC[C@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536592 1041999348 /nfs/dbraw/zinc/99/93/48/1041999348.db2.gz CWDFCQMVGIDHCD-PMACEKPBSA-N 2 2 343.559 4.237 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC4(CCCC4)C3)sc2C1 ZINC000438350762 1042141188 /nfs/dbraw/zinc/14/11/88/1042141188.db2.gz YEFPBRNWRVQDMK-UHFFFAOYSA-N 2 2 333.545 4.066 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC4(CCCC4)C3)sc2C1 ZINC000438350762 1042141195 /nfs/dbraw/zinc/14/11/95/1042141195.db2.gz YEFPBRNWRVQDMK-UHFFFAOYSA-N 2 2 333.545 4.066 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC4(CCCC4)C3)sc2C1 ZINC000438350762 1042141199 /nfs/dbraw/zinc/14/11/99/1042141199.db2.gz YEFPBRNWRVQDMK-UHFFFAOYSA-N 2 2 333.545 4.066 20 0 EIADLP Cc1ccc(COc2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)cc1 ZINC000518263330 1042439108 /nfs/dbraw/zinc/43/91/08/1042439108.db2.gz LBLWPXKZDJKNIK-UHFFFAOYSA-N 2 2 349.478 4.341 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000173314496 1042564755 /nfs/dbraw/zinc/56/47/55/1042564755.db2.gz IAMCGFOKYRKGTN-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)cc1 ZINC000493276947 1042890985 /nfs/dbraw/zinc/89/09/85/1042890985.db2.gz NNQXEPHLBLUZMG-QFIPXVFZSA-N 2 2 347.462 4.271 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000895110360 1043018915 /nfs/dbraw/zinc/01/89/15/1043018915.db2.gz JLKYAXWYSQGTAX-VGWMRTNUSA-N 2 2 341.421 4.279 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007810 1043023091 /nfs/dbraw/zinc/02/30/91/1043023091.db2.gz UVKKQDRYDMCEEE-XEMDLRDOSA-N 2 2 326.459 4.357 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007810 1043023096 /nfs/dbraw/zinc/02/30/96/1043023096.db2.gz UVKKQDRYDMCEEE-XEMDLRDOSA-N 2 2 326.459 4.357 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168743074 1043087784 /nfs/dbraw/zinc/08/77/84/1043087784.db2.gz IVDOUKVVWMNKFH-SFHVURJKSA-N 2 2 337.854 4.125 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168743074 1043087787 /nfs/dbraw/zinc/08/77/87/1043087787.db2.gz IVDOUKVVWMNKFH-SFHVURJKSA-N 2 2 337.854 4.125 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000427695258 1043164477 /nfs/dbraw/zinc/16/44/77/1043164477.db2.gz LJKAMIWYDVRCGT-OAQYLSRUSA-N 2 2 344.543 4.315 20 0 EIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876658 1043234339 /nfs/dbraw/zinc/23/43/39/1043234339.db2.gz MGMROPZFBATHSG-DOTOQJQBSA-N 2 2 337.389 4.204 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427883367 1043249727 /nfs/dbraw/zinc/24/97/27/1043249727.db2.gz CDCTWAYOBAAHTA-NVXWUHKLSA-N 2 2 337.389 4.204 20 0 EIADLP FC(F)(F)C1CCC(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000186618427 1043297094 /nfs/dbraw/zinc/29/70/94/1043297094.db2.gz CFTCUTKYOYIPNJ-UHFFFAOYSA-N 2 2 329.410 4.232 20 0 EIADLP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000674045126 1043347083 /nfs/dbraw/zinc/34/70/83/1043347083.db2.gz FVBFPWVBNMGAHU-DOTOQJQBSA-N 2 2 337.389 4.331 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(C)s2)cc1F ZINC000665258925 1043369700 /nfs/dbraw/zinc/36/97/00/1043369700.db2.gz PGEFFFSNQRHTRT-KMFMINBZSA-N 2 2 348.487 4.001 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000165992131 1043428575 /nfs/dbraw/zinc/42/85/75/1043428575.db2.gz QHZHLILGRDTNRI-PKOBYXMFSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000165992131 1043428585 /nfs/dbraw/zinc/42/85/85/1043428585.db2.gz QHZHLILGRDTNRI-PKOBYXMFSA-N 2 2 346.540 4.417 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000494409707 1043467991 /nfs/dbraw/zinc/46/79/91/1043467991.db2.gz GZPLESFDXWKLSZ-QGZVFWFLSA-N 2 2 344.462 4.116 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494427269 1043476412 /nfs/dbraw/zinc/47/64/12/1043476412.db2.gz RQTDEMDYHINQKJ-OAHLLOKOSA-N 2 2 343.883 4.370 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000442633447 1043772312 /nfs/dbraw/zinc/77/23/12/1043772312.db2.gz JISQLTRJJBHLCN-DOTOQJQBSA-N 2 2 326.406 4.027 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442777039 1043830806 /nfs/dbraw/zinc/83/08/06/1043830806.db2.gz FMLHARASEHPQTM-WMZOPIPTSA-N 2 2 347.506 4.354 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000192147281 1043882442 /nfs/dbraw/zinc/88/24/42/1043882442.db2.gz YSODHVFNLZHRNM-CQSZACIVSA-N 2 2 327.378 4.310 20 0 EIADLP CCOc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000192153051 1043882909 /nfs/dbraw/zinc/88/29/09/1043882909.db2.gz CNXLGPCEERECBI-KRWDZBQOSA-N 2 2 335.451 4.430 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000192162722 1043886891 /nfs/dbraw/zinc/88/68/91/1043886891.db2.gz KHIUQRHVNHCVHP-CQSZACIVSA-N 2 2 327.378 4.310 20 0 EIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000766080222 1043908360 /nfs/dbraw/zinc/90/83/60/1043908360.db2.gz BQVOSCNIOHYIOY-JOCHJYFZSA-N 2 2 337.511 4.075 20 0 EIADLP Fc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000521831340 1044000815 /nfs/dbraw/zinc/00/08/15/1044000815.db2.gz LDWJQBAVAPHMGD-UHFFFAOYSA-N 2 2 328.431 4.192 20 0 EIADLP C[C@@H](CCc1ccsc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195839 1044015913 /nfs/dbraw/zinc/01/59/13/1044015913.db2.gz WYVNMMYRTIBSPQ-QFBILLFUSA-N 2 2 339.508 4.376 20 0 EIADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059204 1044069586 /nfs/dbraw/zinc/06/95/86/1044069586.db2.gz FSNUAMKBRPVXOC-KNQAVFIVSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059204 1044069598 /nfs/dbraw/zinc/06/95/98/1044069598.db2.gz FSNUAMKBRPVXOC-KNQAVFIVSA-N 2 2 341.543 4.013 20 0 EIADLP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544353198 1044221385 /nfs/dbraw/zinc/22/13/85/1044221385.db2.gz QXZBKFVEPUMGIG-MRXNPFEDSA-N 2 2 325.481 4.305 20 0 EIADLP Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544353198 1044221395 /nfs/dbraw/zinc/22/13/95/1044221395.db2.gz QXZBKFVEPUMGIG-MRXNPFEDSA-N 2 2 325.481 4.305 20 0 EIADLP CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658289228 1044256482 /nfs/dbraw/zinc/25/64/82/1044256482.db2.gz XOMBSCKRUXMIMB-WTOYTKOKSA-N 2 2 349.478 4.281 20 0 EIADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000323860454 1044291145 /nfs/dbraw/zinc/29/11/45/1044291145.db2.gz FVPUQTWEYYXBMV-NRFANRHFSA-N 2 2 326.484 4.106 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000348008051 1044362131 /nfs/dbraw/zinc/36/21/31/1044362131.db2.gz OESZMOOTNXPZQK-OXJNMPFZSA-N 3 2 342.531 4.198 20 0 EIADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675920353 1044559721 /nfs/dbraw/zinc/55/97/21/1044559721.db2.gz KDPPVZHITUHCAG-PBHICJAKSA-N 2 2 340.496 4.128 20 0 EIADLP Cc1nc(C)c([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675920376 1044560317 /nfs/dbraw/zinc/56/03/17/1044560317.db2.gz KDPPVZHITUHCAG-RHSMWYFYSA-N 2 2 340.496 4.128 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000543418749 1044562966 /nfs/dbraw/zinc/56/29/66/1044562966.db2.gz KFEGUKVVYVNKMR-LSDHHAIUSA-N 2 2 348.922 4.142 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000474479538 1045021701 /nfs/dbraw/zinc/02/17/01/1045021701.db2.gz XZYIKTVYMRJZHR-SJORKVTESA-N 2 2 335.451 4.163 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000671749303 1045180630 /nfs/dbraw/zinc/18/06/30/1045180630.db2.gz TZEZWKWXHHGEFM-KGLIPLIRSA-N 2 2 348.406 4.131 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000237367834 1045382931 /nfs/dbraw/zinc/38/29/31/1045382931.db2.gz AFCHLZTVEBAYHW-UTKZUKDTSA-N 2 2 338.495 4.466 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CC[C@H](C)C2)CC3)cs1 ZINC001170139363 1045525244 /nfs/dbraw/zinc/52/52/44/1045525244.db2.gz URSYXSAQGUOTSQ-MAUKXSAKSA-N 2 2 333.545 4.071 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CC[C@H](C)C2)CC3)cs1 ZINC001170139363 1045525252 /nfs/dbraw/zinc/52/52/52/1045525252.db2.gz URSYXSAQGUOTSQ-MAUKXSAKSA-N 2 2 333.545 4.071 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000247079926 1045841461 /nfs/dbraw/zinc/84/14/61/1045841461.db2.gz OTQPRYZSKQVZED-BPQIPLTHSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000247079926 1045841462 /nfs/dbraw/zinc/84/14/62/1045841462.db2.gz OTQPRYZSKQVZED-BPQIPLTHSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000247255025 1045845485 /nfs/dbraw/zinc/84/54/85/1045845485.db2.gz ZZWNQNZJSZLVNF-IJEWVQPXSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000247255025 1045845489 /nfs/dbraw/zinc/84/54/89/1045845489.db2.gz ZZWNQNZJSZLVNF-IJEWVQPXSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(Cl)c1 ZINC000247971034 1045860663 /nfs/dbraw/zinc/86/06/63/1045860663.db2.gz JKBPQCKBVYLMFX-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(Cl)c1 ZINC000247971034 1045860670 /nfs/dbraw/zinc/86/06/70/1045860670.db2.gz JKBPQCKBVYLMFX-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP Cn1c[nH+]c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc21 ZINC001170330780 1046003676 /nfs/dbraw/zinc/00/36/76/1046003676.db2.gz GITJIUUPOJVAQJ-OWZKRDHZSA-N 2 2 346.478 4.181 20 0 EIADLP Cn1c[nH+]c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc21 ZINC001170330780 1046003698 /nfs/dbraw/zinc/00/36/98/1046003698.db2.gz GITJIUUPOJVAQJ-OWZKRDHZSA-N 2 2 346.478 4.181 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000769871446 1046099062 /nfs/dbraw/zinc/09/90/62/1046099062.db2.gz GUESRGCSCAGRLF-LPHOPBHVSA-N 2 2 341.499 4.108 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769871446 1046099071 /nfs/dbraw/zinc/09/90/71/1046099071.db2.gz GUESRGCSCAGRLF-LPHOPBHVSA-N 2 2 341.499 4.108 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)o1 ZINC000124898657 1046272540 /nfs/dbraw/zinc/27/25/40/1046272540.db2.gz AVYJYRJGDPHDHV-QGZVFWFLSA-N 2 2 326.484 4.254 20 0 EIADLP CCC[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680321 1046274838 /nfs/dbraw/zinc/27/48/38/1046274838.db2.gz UZXDRDUSTFLBHO-ICSRJNTNSA-N 2 2 325.500 4.259 20 0 EIADLP CCC[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680321 1046274866 /nfs/dbraw/zinc/27/48/66/1046274866.db2.gz UZXDRDUSTFLBHO-ICSRJNTNSA-N 2 2 325.500 4.259 20 0 EIADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000916835277 1046378185 /nfs/dbraw/zinc/37/81/85/1046378185.db2.gz XIENKNOZOVWZCE-ZIAGYGMSSA-N 2 2 346.487 4.193 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659506 1046607019 /nfs/dbraw/zinc/60/70/19/1046607019.db2.gz JRKWIGVBDIPQSL-BLLLJJGKSA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659506 1046607032 /nfs/dbraw/zinc/60/70/32/1046607032.db2.gz JRKWIGVBDIPQSL-BLLLJJGKSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659506 1046607049 /nfs/dbraw/zinc/60/70/49/1046607049.db2.gz JRKWIGVBDIPQSL-BLLLJJGKSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659506 1046607059 /nfs/dbraw/zinc/60/70/59/1046607059.db2.gz JRKWIGVBDIPQSL-BLLLJJGKSA-N 2 2 332.385 4.149 20 0 EIADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658656 1046622375 /nfs/dbraw/zinc/62/23/75/1046622375.db2.gz PMXMAAFICKTECU-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658656 1046622382 /nfs/dbraw/zinc/62/23/82/1046622382.db2.gz PMXMAAFICKTECU-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658656 1046622387 /nfs/dbraw/zinc/62/23/87/1046622387.db2.gz PMXMAAFICKTECU-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(C)C ZINC000536658656 1046622391 /nfs/dbraw/zinc/62/23/91/1046622391.db2.gz PMXMAAFICKTECU-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cccc1OCC ZINC000536662513 1046626981 /nfs/dbraw/zinc/62/69/81/1046626981.db2.gz HKVDGMJRQYYLMW-HKUYNNGSSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cccc1OCC ZINC000536662513 1046626995 /nfs/dbraw/zinc/62/69/95/1046626995.db2.gz HKVDGMJRQYYLMW-HKUYNNGSSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cccc1OCC ZINC000536662513 1046627002 /nfs/dbraw/zinc/62/70/02/1046627002.db2.gz HKVDGMJRQYYLMW-HKUYNNGSSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cccc1OCC ZINC000536662513 1046627010 /nfs/dbraw/zinc/62/70/10/1046627010.db2.gz HKVDGMJRQYYLMW-HKUYNNGSSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cccc1OCC ZINC000536662514 1046627538 /nfs/dbraw/zinc/62/75/38/1046627538.db2.gz HKVDGMJRQYYLMW-IEBWSBKVSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cccc1OCC ZINC000536662514 1046627544 /nfs/dbraw/zinc/62/75/44/1046627544.db2.gz HKVDGMJRQYYLMW-IEBWSBKVSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cccc1OCC ZINC000536662514 1046627549 /nfs/dbraw/zinc/62/75/49/1046627549.db2.gz HKVDGMJRQYYLMW-IEBWSBKVSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cccc1OCC ZINC000536662514 1046627566 /nfs/dbraw/zinc/62/75/66/1046627566.db2.gz HKVDGMJRQYYLMW-IEBWSBKVSA-N 2 2 348.531 4.036 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663327 1046632092 /nfs/dbraw/zinc/63/20/92/1046632092.db2.gz FMSOENBCRRZMDE-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663327 1046632100 /nfs/dbraw/zinc/63/21/00/1046632100.db2.gz FMSOENBCRRZMDE-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663327 1046632116 /nfs/dbraw/zinc/63/21/16/1046632116.db2.gz FMSOENBCRRZMDE-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663327 1046632122 /nfs/dbraw/zinc/63/21/22/1046632122.db2.gz FMSOENBCRRZMDE-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770190 1046765572 /nfs/dbraw/zinc/76/55/72/1046765572.db2.gz DDYRUXMOMROAPQ-OWCLPIDISA-N 2 2 335.561 4.041 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770190 1046765584 /nfs/dbraw/zinc/76/55/84/1046765584.db2.gz DDYRUXMOMROAPQ-OWCLPIDISA-N 2 2 335.561 4.041 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170081375 1047098179 /nfs/dbraw/zinc/09/81/79/1047098179.db2.gz OBNSXUHGGHODKT-ZWKOTPCHSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001170081375 1047098212 /nfs/dbraw/zinc/09/82/12/1047098212.db2.gz OBNSXUHGGHODKT-ZWKOTPCHSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001170081375 1047098161 /nfs/dbraw/zinc/09/81/61/1047098161.db2.gz OBNSXUHGGHODKT-ZWKOTPCHSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001170081375 1047098197 /nfs/dbraw/zinc/09/81/97/1047098197.db2.gz OBNSXUHGGHODKT-ZWKOTPCHSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000788623499 1047253587 /nfs/dbraw/zinc/25/35/87/1047253587.db2.gz WUCZQWWMLGXEPR-BULFRSBZSA-N 2 2 349.478 4.281 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000129255372 1047339020 /nfs/dbraw/zinc/33/90/20/1047339020.db2.gz HNSRNTDJLPNYQJ-SJORKVTESA-N 2 2 337.389 4.142 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129263490 1047341121 /nfs/dbraw/zinc/34/11/21/1047341121.db2.gz OHZRMTVVNBXKQD-SJORKVTESA-N 2 2 337.389 4.142 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120190 1047472753 /nfs/dbraw/zinc/47/27/53/1047472753.db2.gz LMGTZECDBPDIPU-JNAXZKDPSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120190 1047472756 /nfs/dbraw/zinc/47/27/56/1047472756.db2.gz LMGTZECDBPDIPU-JNAXZKDPSA-N 2 2 330.422 4.451 20 0 EIADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)C[C@@H]21 ZINC001170755451 1048108307 /nfs/dbraw/zinc/10/83/07/1048108307.db2.gz BSNMXQGLVVOSKH-LDLYASANSA-N 2 2 347.462 4.428 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558956 1048403024 /nfs/dbraw/zinc/40/30/24/1048403024.db2.gz FKKAQAABEBYSLZ-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558956 1048403026 /nfs/dbraw/zinc/40/30/26/1048403026.db2.gz FKKAQAABEBYSLZ-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558956 1048403028 /nfs/dbraw/zinc/40/30/28/1048403028.db2.gz FKKAQAABEBYSLZ-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558956 1048403031 /nfs/dbraw/zinc/40/30/31/1048403031.db2.gz FKKAQAABEBYSLZ-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP C[N@H+](Cc1cccc2cccnc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074321945 1048470662 /nfs/dbraw/zinc/47/06/62/1048470662.db2.gz LXTHGKQPVUUZNW-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1cccc2cccnc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074321945 1048470690 /nfs/dbraw/zinc/47/06/90/1048470690.db2.gz LXTHGKQPVUUZNW-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171147676 1048483150 /nfs/dbraw/zinc/48/31/50/1048483150.db2.gz IPTGKOSULWKKOE-GJZGRUSLSA-N 2 2 339.310 4.067 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171147676 1048483158 /nfs/dbraw/zinc/48/31/58/1048483158.db2.gz IPTGKOSULWKKOE-GJZGRUSLSA-N 2 2 339.310 4.067 20 0 EIADLP COc1ccc(C[N@H+](Cc2ncc(C[NH+](C)C)s2)C(C)(C)C)cc1 ZINC000809792229 1048536988 /nfs/dbraw/zinc/53/69/88/1048536988.db2.gz NCTQLHINXUTTOE-UHFFFAOYSA-N 2 2 347.528 4.014 20 0 EIADLP COc1ccc(C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C(C)(C)C)cc1 ZINC000809792229 1048537001 /nfs/dbraw/zinc/53/70/01/1048537001.db2.gz NCTQLHINXUTTOE-UHFFFAOYSA-N 2 2 347.528 4.014 20 0 EIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160510 1048594895 /nfs/dbraw/zinc/59/48/95/1048594895.db2.gz BUBBKHXZQIIIBM-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160510 1048594906 /nfs/dbraw/zinc/59/49/06/1048594906.db2.gz BUBBKHXZQIIIBM-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP Clc1cccc2c1C[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)CC2 ZINC001170920276 1049231070 /nfs/dbraw/zinc/23/10/70/1049231070.db2.gz QLBCYVMVJNXDBZ-MRXNPFEDSA-N 2 2 342.870 4.136 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852294 1049613915 /nfs/dbraw/zinc/61/39/15/1049613915.db2.gz XLARUQYHKPANEN-GCJKJVERSA-N 2 2 349.478 4.125 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852294 1049613919 /nfs/dbraw/zinc/61/39/19/1049613919.db2.gz XLARUQYHKPANEN-GCJKJVERSA-N 2 2 349.478 4.125 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171440381 1049691358 /nfs/dbraw/zinc/69/13/58/1049691358.db2.gz IGWKFKQYDDALFK-IBGZPJMESA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171440381 1049691366 /nfs/dbraw/zinc/69/13/66/1049691366.db2.gz IGWKFKQYDDALFK-IBGZPJMESA-N 2 2 335.426 4.001 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081584696 1049752210 /nfs/dbraw/zinc/75/22/10/1049752210.db2.gz GJOIKBCXIIOHLV-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081584696 1049752219 /nfs/dbraw/zinc/75/22/19/1049752219.db2.gz GJOIKBCXIIOHLV-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081584696 1049752227 /nfs/dbraw/zinc/75/22/27/1049752227.db2.gz GJOIKBCXIIOHLV-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081584696 1049752236 /nfs/dbraw/zinc/75/22/36/1049752236.db2.gz GJOIKBCXIIOHLV-SFHVURJKSA-N 2 2 339.483 4.038 20 0 EIADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1(C)C ZINC001171638493 1049779742 /nfs/dbraw/zinc/77/97/42/1049779742.db2.gz ZOFWIRAKNXTLBO-UHFFFAOYSA-N 2 2 348.575 4.309 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982475 1049838685 /nfs/dbraw/zinc/83/86/85/1049838685.db2.gz IWZYHZHKJYLVAZ-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982475 1049838688 /nfs/dbraw/zinc/83/86/88/1049838688.db2.gz IWZYHZHKJYLVAZ-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP CC[N@H+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172082772 1049847424 /nfs/dbraw/zinc/84/74/24/1049847424.db2.gz LTHOYXXGFUYFJQ-JKHIJQBDSA-N 2 2 349.522 4.489 20 0 EIADLP CC[N@@H+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172082772 1049847426 /nfs/dbraw/zinc/84/74/26/1049847426.db2.gz LTHOYXXGFUYFJQ-JKHIJQBDSA-N 2 2 349.522 4.489 20 0 EIADLP CC[NH+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172082772 1049847429 /nfs/dbraw/zinc/84/74/29/1049847429.db2.gz LTHOYXXGFUYFJQ-JKHIJQBDSA-N 2 2 349.522 4.489 20 0 EIADLP CC[NH+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172082772 1049847432 /nfs/dbraw/zinc/84/74/32/1049847432.db2.gz LTHOYXXGFUYFJQ-JKHIJQBDSA-N 2 2 349.522 4.489 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170718203 1049847767 /nfs/dbraw/zinc/84/77/67/1049847767.db2.gz ZGXJVNKALCOCPB-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170718203 1049847772 /nfs/dbraw/zinc/84/77/72/1049847772.db2.gz ZGXJVNKALCOCPB-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001172256471 1049872493 /nfs/dbraw/zinc/87/24/93/1049872493.db2.gz YCXHMAHYSVLTBM-HNNXBMFYSA-N 2 2 342.936 4.039 20 0 EIADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001172256471 1049872497 /nfs/dbraw/zinc/87/24/97/1049872497.db2.gz YCXHMAHYSVLTBM-HNNXBMFYSA-N 2 2 342.936 4.039 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172574568 1049941743 /nfs/dbraw/zinc/94/17/43/1049941743.db2.gz ZYGJRRSHCZINEG-WFASDCNBSA-N 2 2 342.861 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172574568 1049941747 /nfs/dbraw/zinc/94/17/47/1049941747.db2.gz ZYGJRRSHCZINEG-WFASDCNBSA-N 2 2 342.861 4.013 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172578500 1049952065 /nfs/dbraw/zinc/95/20/65/1049952065.db2.gz QCEHHDQBEZUBPE-ZDUSSCGKSA-N 2 2 344.877 4.355 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172578500 1049952068 /nfs/dbraw/zinc/95/20/68/1049952068.db2.gz QCEHHDQBEZUBPE-ZDUSSCGKSA-N 2 2 344.877 4.355 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000089513055 1050120463 /nfs/dbraw/zinc/12/04/63/1050120463.db2.gz APMANWWFAYCQSI-ZDUSSCGKSA-N 2 2 344.421 4.499 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172842244 1050182561 /nfs/dbraw/zinc/18/25/61/1050182561.db2.gz JMYBMHFEEMCZFP-QFIPXVFZSA-N 2 2 331.463 4.170 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172842244 1050182566 /nfs/dbraw/zinc/18/25/66/1050182566.db2.gz JMYBMHFEEMCZFP-QFIPXVFZSA-N 2 2 331.463 4.170 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001177261605 1050183168 /nfs/dbraw/zinc/18/31/68/1050183168.db2.gz HXCZLDQTTIJVNZ-DTQAZKPQSA-N 2 2 338.442 4.013 20 0 EIADLP CC(C)C1CCC(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001177323241 1050193074 /nfs/dbraw/zinc/19/30/74/1050193074.db2.gz JWTKLTFGCNOHSY-UHFFFAOYSA-N 2 2 344.543 4.071 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870984 1050208756 /nfs/dbraw/zinc/20/87/56/1050208756.db2.gz GKEXYULAYWULSX-PBHICJAKSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870984 1050208770 /nfs/dbraw/zinc/20/87/70/1050208770.db2.gz GKEXYULAYWULSX-PBHICJAKSA-N 2 2 348.849 4.267 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172874135 1050213897 /nfs/dbraw/zinc/21/38/97/1050213897.db2.gz SDRGFTFOIALCOM-ZDUSSCGKSA-N 2 2 331.872 4.258 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172881595 1050222333 /nfs/dbraw/zinc/22/23/33/1050222333.db2.gz JBTJIQFDTRPQKX-CQSZACIVSA-N 2 2 335.904 4.354 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C(C)C)cc1 ZINC000091283955 1050247535 /nfs/dbraw/zinc/24/75/35/1050247535.db2.gz OIVJREKZJQMKIN-JOCHJYFZSA-N 2 2 349.478 4.427 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C(C)C)cc1 ZINC000091284335 1050247893 /nfs/dbraw/zinc/24/78/93/1050247893.db2.gz PAFPKSHDSAZDRA-QFIPXVFZSA-N 2 2 349.478 4.427 20 0 EIADLP C[C@@H](C[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1)Cn1cc[nH+]c1 ZINC001177674131 1050276371 /nfs/dbraw/zinc/27/63/71/1050276371.db2.gz MVXYHNHGKJHUJE-INIZCTEOSA-N 2 2 339.414 4.240 20 0 EIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)C(C)(C)C ZINC001177822536 1050297809 /nfs/dbraw/zinc/29/78/09/1050297809.db2.gz LUFVJOVANISCQE-QGZVFWFLSA-N 2 2 331.529 4.266 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC001177913058 1050326157 /nfs/dbraw/zinc/32/61/57/1050326157.db2.gz UQQBJABXMLABEQ-UGSOOPFHSA-N 2 2 336.451 4.199 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC001177913058 1050326162 /nfs/dbraw/zinc/32/61/62/1050326162.db2.gz UQQBJABXMLABEQ-UGSOOPFHSA-N 2 2 336.451 4.199 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2Cl)CC1(C)C ZINC001178959108 1050597293 /nfs/dbraw/zinc/59/72/93/1050597293.db2.gz VHAATTUFAKBFAK-LBPRGKRZSA-N 2 2 345.712 4.065 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2Cl)CC1(C)C ZINC001178959108 1050597309 /nfs/dbraw/zinc/59/73/09/1050597309.db2.gz VHAATTUFAKBFAK-LBPRGKRZSA-N 2 2 345.712 4.065 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001180289030 1050957064 /nfs/dbraw/zinc/95/70/64/1050957064.db2.gz QCYKNXSYYPOAEJ-AEFFLSMTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001180289030 1050957080 /nfs/dbraw/zinc/95/70/80/1050957080.db2.gz QCYKNXSYYPOAEJ-AEFFLSMTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289030 1050957095 /nfs/dbraw/zinc/95/70/95/1050957095.db2.gz QCYKNXSYYPOAEJ-AEFFLSMTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289030 1050957116 /nfs/dbraw/zinc/95/71/16/1050957116.db2.gz QCYKNXSYYPOAEJ-AEFFLSMTSA-N 2 2 347.453 4.368 20 0 EIADLP CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000620125313 1051030777 /nfs/dbraw/zinc/03/07/77/1051030777.db2.gz PKYWQJVTNUWHKB-UHFFFAOYSA-N 2 2 335.451 4.339 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC001181115853 1051158275 /nfs/dbraw/zinc/15/82/75/1051158275.db2.gz ZISGUTRPKXSWMB-VAMGGRTRSA-N 2 2 346.584 4.407 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC001181115853 1051158288 /nfs/dbraw/zinc/15/82/88/1051158288.db2.gz ZISGUTRPKXSWMB-VAMGGRTRSA-N 2 2 346.584 4.407 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC3 ZINC001181436710 1051237316 /nfs/dbraw/zinc/23/73/16/1051237316.db2.gz YXQNFEGTAQJPSS-KKSFZXQISA-N 2 2 339.527 4.044 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC3 ZINC001181436710 1051237327 /nfs/dbraw/zinc/23/73/27/1051237327.db2.gz YXQNFEGTAQJPSS-KKSFZXQISA-N 2 2 339.527 4.044 20 0 EIADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000153890630 1051242085 /nfs/dbraw/zinc/24/20/85/1051242085.db2.gz QWTJWSMUQVIBII-QGZVFWFLSA-N 2 2 328.431 4.002 20 0 EIADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000153890630 1051242097 /nfs/dbraw/zinc/24/20/97/1051242097.db2.gz QWTJWSMUQVIBII-QGZVFWFLSA-N 2 2 328.431 4.002 20 0 EIADLP C[C@H](C[NH2+]Cc1cccc(OCC2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000620757879 1051276442 /nfs/dbraw/zinc/27/64/42/1051276442.db2.gz WVKUCBGCTDEMDI-GOSISDBHSA-N 2 2 341.499 4.268 20 0 EIADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001182033294 1051376405 /nfs/dbraw/zinc/37/64/05/1051376405.db2.gz PXQSQOBYZIAPAE-AWEZNQCLSA-N 2 2 335.879 4.067 20 0 EIADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001182033296 1051377812 /nfs/dbraw/zinc/37/78/12/1051377812.db2.gz PXQSQOBYZIAPAE-CQSZACIVSA-N 2 2 335.879 4.067 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001175156654 1051386606 /nfs/dbraw/zinc/38/66/06/1051386606.db2.gz RVBFXSWPFGQBTF-UHFFFAOYSA-N 2 2 338.442 4.128 20 0 EIADLP c1ccc(C[N@H+]2CC=C(Nc3ccc[nH+]c3N3CCCCC3)CC2)cc1 ZINC001175505241 1051634518 /nfs/dbraw/zinc/63/45/18/1051634518.db2.gz ONEXZKIAAXUSLJ-UHFFFAOYSA-N 2 2 348.494 4.274 20 0 EIADLP c1ccc(C[N@@H+]2CC=C(Nc3ccc[nH+]c3N3CCCCC3)CC2)cc1 ZINC001175505241 1051634525 /nfs/dbraw/zinc/63/45/25/1051634525.db2.gz ONEXZKIAAXUSLJ-UHFFFAOYSA-N 2 2 348.494 4.274 20 0 EIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC001182845776 1051716907 /nfs/dbraw/zinc/71/69/07/1051716907.db2.gz WVHHDKHHISBSTN-HRAATJIYSA-N 2 2 327.516 4.415 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001206556232 1051778565 /nfs/dbraw/zinc/77/85/65/1051778565.db2.gz PAKWZAHGYVOMMG-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001206556232 1051778578 /nfs/dbraw/zinc/77/85/78/1051778578.db2.gz PAKWZAHGYVOMMG-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP COc1cc2ccccc2cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001183227575 1051809240 /nfs/dbraw/zinc/80/92/40/1051809240.db2.gz UHEWSXSQPSYIRK-UHFFFAOYSA-N 2 2 338.495 4.299 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)[C@H]1C ZINC001183525836 1051851774 /nfs/dbraw/zinc/85/17/74/1051851774.db2.gz HTLKSDJYPSZPOH-OVQGTLEDSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)[C@H]1C ZINC001183525836 1051851783 /nfs/dbraw/zinc/85/17/83/1051851783.db2.gz HTLKSDJYPSZPOH-OVQGTLEDSA-N 2 2 327.516 4.208 20 0 EIADLP CC1(c2ccccc2)CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001183498193 1051855292 /nfs/dbraw/zinc/85/52/92/1051855292.db2.gz DRWFPXUOQGNWTE-ATKRNPRHSA-N 2 2 331.463 4.334 20 0 EIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163841325 1052008607 /nfs/dbraw/zinc/00/86/07/1052008607.db2.gz KDNDSQRYXHSNQI-ZDUSSCGKSA-N 2 2 332.517 4.297 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000165618922 1052072299 /nfs/dbraw/zinc/07/22/99/1052072299.db2.gz TXGVNYQDDYEDRD-OAHLLOKOSA-N 2 2 341.524 4.335 20 0 EIADLP c1cn(-c2ccccc2C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000166291687 1052091214 /nfs/dbraw/zinc/09/12/14/1052091214.db2.gz UEICLAJMXCRROP-NQIIRXRSSA-N 2 2 347.462 4.130 20 0 EIADLP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000166474147 1052097147 /nfs/dbraw/zinc/09/71/47/1052097147.db2.gz JCFRSKHGPRFFEJ-AZUAARDMSA-N 2 2 339.483 4.031 20 0 EIADLP CCC[N@H+](C[C@H](O)CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891226 1052200924 /nfs/dbraw/zinc/20/09/24/1052200924.db2.gz BYYCBLUFYDFUOT-JOCHJYFZSA-N 2 2 346.559 4.160 20 0 EIADLP CCC[N@@H+](C[C@H](O)CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891226 1052200938 /nfs/dbraw/zinc/20/09/38/1052200938.db2.gz BYYCBLUFYDFUOT-JOCHJYFZSA-N 2 2 346.559 4.160 20 0 EIADLP Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC001185252276 1052201983 /nfs/dbraw/zinc/20/19/83/1052201983.db2.gz DOJJUTXLAMMXBA-GOSISDBHSA-N 2 2 342.531 4.145 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC001176977943 1052213165 /nfs/dbraw/zinc/21/31/65/1052213165.db2.gz OHZWPMBEHQZXIU-UHFFFAOYSA-N 2 2 340.858 4.001 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC001176977372 1052213849 /nfs/dbraw/zinc/21/38/49/1052213849.db2.gz KDRAJNCUHOZJGH-UHFFFAOYSA-N 2 2 349.478 4.222 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001176991942 1052214861 /nfs/dbraw/zinc/21/48/61/1052214861.db2.gz VVSPWTNNEKFJRE-IRXDYDNUSA-N 2 2 333.520 4.165 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001176991942 1052214872 /nfs/dbraw/zinc/21/48/72/1052214872.db2.gz VVSPWTNNEKFJRE-IRXDYDNUSA-N 2 2 333.520 4.165 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1O ZINC000184833797 1052245679 /nfs/dbraw/zinc/24/56/79/1052245679.db2.gz CGJMNCOFAFPELK-HNNXBMFYSA-N 2 2 344.886 4.361 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1O ZINC000185165190 1052506501 /nfs/dbraw/zinc/50/65/01/1052506501.db2.gz OBORVAQQWYOSDU-ZDUSSCGKSA-N 2 2 327.815 4.082 20 0 EIADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000623656199 1052698018 /nfs/dbraw/zinc/69/80/18/1052698018.db2.gz OXJICKXXZJLNRY-AWEZNQCLSA-N 2 2 349.931 4.285 20 0 EIADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000623656199 1052698020 /nfs/dbraw/zinc/69/80/20/1052698020.db2.gz OXJICKXXZJLNRY-AWEZNQCLSA-N 2 2 349.931 4.285 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000623886326 1052833204 /nfs/dbraw/zinc/83/32/04/1052833204.db2.gz YXJTYERNLCEXPO-KRWDZBQOSA-N 2 2 349.482 4.025 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623987265 1052845454 /nfs/dbraw/zinc/84/54/54/1052845454.db2.gz UKYLLEDQWFZAFQ-PKOBYXMFSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623987265 1052845456 /nfs/dbraw/zinc/84/54/56/1052845456.db2.gz UKYLLEDQWFZAFQ-PKOBYXMFSA-N 2 2 343.540 4.404 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)sc1C ZINC000624015127 1052853937 /nfs/dbraw/zinc/85/39/37/1052853937.db2.gz PDXSZQPEIXTZSR-IEBWSBKVSA-N 2 2 336.545 4.049 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123477 1052868349 /nfs/dbraw/zinc/86/83/49/1052868349.db2.gz MSCJQNQOHGNYNV-GJZGRUSLSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123477 1052868354 /nfs/dbraw/zinc/86/83/54/1052868354.db2.gz MSCJQNQOHGNYNV-GJZGRUSLSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000183221122 1052967238 /nfs/dbraw/zinc/96/72/38/1052967238.db2.gz QAHRDMOTKGQFNR-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP COc1ccc(-c2ccc(C[NH2+]Cc3c[nH+]ccc3N(C)C)cc2)cc1 ZINC000185207606 1053014686 /nfs/dbraw/zinc/01/46/86/1053014686.db2.gz QIUUXFSUQBHIBN-UHFFFAOYSA-N 2 2 347.462 4.113 20 0 EIADLP C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381335260 1053070687 /nfs/dbraw/zinc/07/06/87/1053070687.db2.gz JCCCQXMRRAPAKY-GOEBONIOSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381335260 1053070699 /nfs/dbraw/zinc/07/06/99/1053070699.db2.gz JCCCQXMRRAPAKY-GOEBONIOSA-N 2 2 348.412 4.104 20 0 EIADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539321 1053300876 /nfs/dbraw/zinc/30/08/76/1053300876.db2.gz RWMMHEWYLFWDJW-IRLDBZIGSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539321 1053300889 /nfs/dbraw/zinc/30/08/89/1053300889.db2.gz RWMMHEWYLFWDJW-IRLDBZIGSA-N 2 2 342.527 4.151 20 0 EIADLP CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000764812985 1053322902 /nfs/dbraw/zinc/32/29/02/1053322902.db2.gz FODGEKHEXLMHGL-KRWDZBQOSA-N 2 2 335.451 4.181 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866247624 1053665403 /nfs/dbraw/zinc/66/54/03/1053665403.db2.gz WKHDURAIIBRNNK-PZJWPPBQSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866247624 1053665407 /nfs/dbraw/zinc/66/54/07/1053665407.db2.gz WKHDURAIIBRNNK-PZJWPPBQSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)Cc1cccc(C(F)(F)F)c1 ZINC001196470079 1053674906 /nfs/dbraw/zinc/67/49/06/1053674906.db2.gz MSHAAQRNIQWELA-UHFFFAOYSA-N 2 2 339.405 4.140 20 0 EIADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(C(F)(F)F)c1 ZINC001196470079 1053674918 /nfs/dbraw/zinc/67/49/18/1053674918.db2.gz MSHAAQRNIQWELA-UHFFFAOYSA-N 2 2 339.405 4.140 20 0 EIADLP CSc1ccccc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000866343571 1053697073 /nfs/dbraw/zinc/69/70/73/1053697073.db2.gz OEJLXUWNOYTVHV-UTKZUKDTSA-N 2 2 349.503 4.299 20 0 EIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866362056 1053704466 /nfs/dbraw/zinc/70/44/66/1053704466.db2.gz YPBJQLOGHVFKCE-JQWIXIFHSA-N 2 2 341.402 4.230 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866607572 1053802609 /nfs/dbraw/zinc/80/26/09/1053802609.db2.gz RYZXSSOXTXBFHA-KBRIMQKVSA-N 2 2 335.373 4.420 20 0 EIADLP Cc1c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1-c1ccccc1 ZINC000765678250 1053836909 /nfs/dbraw/zinc/83/69/09/1053836909.db2.gz UIPQETLOCGESHI-KRWDZBQOSA-N 2 2 349.482 4.119 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](OC)c2ccc(F)cc2)CC1 ZINC001197359273 1053883604 /nfs/dbraw/zinc/88/36/04/1053883604.db2.gz MHTWRWFFOZDBGQ-FQEVSTJZSA-N 2 2 348.506 4.244 20 0 EIADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cc1F ZINC001197590132 1053951142 /nfs/dbraw/zinc/95/11/42/1053951142.db2.gz QGAAVVWESGICPI-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cc1F ZINC001197590132 1053951155 /nfs/dbraw/zinc/95/11/55/1053951155.db2.gz QGAAVVWESGICPI-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1F ZINC001197590132 1053951167 /nfs/dbraw/zinc/95/11/67/1053951167.db2.gz QGAAVVWESGICPI-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1F ZINC001197590132 1053951180 /nfs/dbraw/zinc/95/11/80/1053951180.db2.gz QGAAVVWESGICPI-IRLDBZIGSA-N 2 2 338.470 4.088 20 0 EIADLP COC1(C[C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC1 ZINC000429523517 1053956061 /nfs/dbraw/zinc/95/60/61/1053956061.db2.gz WOIJKCRPOGOZEK-QUCCMNQESA-N 2 2 330.516 4.069 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790756 1054252351 /nfs/dbraw/zinc/25/23/51/1054252351.db2.gz NYKJWKAWXMZHRZ-IRXDYDNUSA-N 2 2 347.547 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790756 1054252365 /nfs/dbraw/zinc/25/23/65/1054252365.db2.gz NYKJWKAWXMZHRZ-IRXDYDNUSA-N 2 2 347.547 4.411 20 0 EIADLP C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000872041538 1054356340 /nfs/dbraw/zinc/35/63/40/1054356340.db2.gz UBUMWQJWHKFPCO-IEZWGBDMSA-N 2 2 327.472 4.117 20 0 EIADLP CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001199392528 1054397371 /nfs/dbraw/zinc/39/73/71/1054397371.db2.gz UKOWDNDZNUYVBT-KNQAVFIVSA-N 2 2 344.543 4.213 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001199608475 1054432231 /nfs/dbraw/zinc/43/22/31/1054432231.db2.gz HQMYIPIYBRMYQE-HXUWFJFHSA-N 2 2 334.467 4.150 20 0 EIADLP C[C@@]1(C[NH2+][C@@H]2CCCc3scnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000858414666 1054485522 /nfs/dbraw/zinc/48/55/22/1054485522.db2.gz FWWSCRMYXDMFKV-XLIONFOSSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@@]1(C[NH2+][C@@H]2CCCc3scnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000858414666 1054485531 /nfs/dbraw/zinc/48/55/31/1054485531.db2.gz FWWSCRMYXDMFKV-XLIONFOSSA-N 2 2 341.524 4.022 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444799590 1054520474 /nfs/dbraw/zinc/52/04/74/1054520474.db2.gz SROYVBJTBJQQQM-MRXNPFEDSA-N 2 2 344.528 4.304 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444799590 1054520495 /nfs/dbraw/zinc/52/04/95/1054520495.db2.gz SROYVBJTBJQQQM-MRXNPFEDSA-N 2 2 344.528 4.304 20 0 EIADLP CC(C)OC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC001201017316 1054609372 /nfs/dbraw/zinc/60/93/72/1054609372.db2.gz DHETUXKCYHVKKM-UHFFFAOYSA-N 2 2 333.501 4.151 20 0 EIADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904881 1054615150 /nfs/dbraw/zinc/61/51/50/1054615150.db2.gz XSZWBPOTUIXFDD-QWRGUYRKSA-N 2 2 344.596 4.445 20 0 EIADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904881 1054615160 /nfs/dbraw/zinc/61/51/60/1054615160.db2.gz XSZWBPOTUIXFDD-QWRGUYRKSA-N 2 2 344.596 4.445 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(Cl)ccc2Cl)cc1 ZINC000859212408 1054643572 /nfs/dbraw/zinc/64/35/72/1054643572.db2.gz JDTFZXZPRQDPHH-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(Cl)ccc2Cl)cc1 ZINC000859212408 1054643584 /nfs/dbraw/zinc/64/35/84/1054643584.db2.gz JDTFZXZPRQDPHH-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP COc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c(F)c1 ZINC001201398304 1054773568 /nfs/dbraw/zinc/77/35/68/1054773568.db2.gz HFAQJXCORGMOMX-UHFFFAOYSA-N 2 2 344.474 4.082 20 0 EIADLP COc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c(F)c1 ZINC001201398304 1054773586 /nfs/dbraw/zinc/77/35/86/1054773586.db2.gz HFAQJXCORGMOMX-UHFFFAOYSA-N 2 2 344.474 4.082 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380164 1055059631 /nfs/dbraw/zinc/05/96/31/1055059631.db2.gz SEQIQNUWBOVLIV-WDEREUQCSA-N 2 2 349.828 4.277 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380164 1055059646 /nfs/dbraw/zinc/05/96/46/1055059646.db2.gz SEQIQNUWBOVLIV-WDEREUQCSA-N 2 2 349.828 4.277 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)o1 ZINC000119410217 1055188809 /nfs/dbraw/zinc/18/88/09/1055188809.db2.gz DCKSKIJKEDLFAP-MRXNPFEDSA-N 2 2 341.499 4.282 20 0 EIADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccnc2)c1 ZINC000765861920 1056023498 /nfs/dbraw/zinc/02/34/98/1056023498.db2.gz UVPUAWSOVOTSOE-QHCPKHFHSA-N 2 2 349.522 4.252 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392215 1058591785 /nfs/dbraw/zinc/59/17/85/1058591785.db2.gz NRFJALBMQZLOQI-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327266 1059815589 /nfs/dbraw/zinc/81/55/89/1059815589.db2.gz VUPALZZIARWJAZ-KXBFYZLASA-N 2 2 349.434 4.055 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000766551975 1060535492 /nfs/dbraw/zinc/53/54/92/1060535492.db2.gz XKBKIGQEUNBZDS-ICSRJNTNSA-N 2 2 331.548 4.488 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000766551975 1060535520 /nfs/dbraw/zinc/53/55/20/1060535520.db2.gz XKBKIGQEUNBZDS-ICSRJNTNSA-N 2 2 331.548 4.488 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145225 1060665515 /nfs/dbraw/zinc/66/55/15/1060665515.db2.gz MBIZWFXAIVRLQL-APIJFGDWSA-N 2 2 339.310 4.408 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145225 1060665522 /nfs/dbraw/zinc/66/55/22/1060665522.db2.gz MBIZWFXAIVRLQL-APIJFGDWSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145225 1060665528 /nfs/dbraw/zinc/66/55/28/1060665528.db2.gz MBIZWFXAIVRLQL-APIJFGDWSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145225 1060665535 /nfs/dbraw/zinc/66/55/35/1060665535.db2.gz MBIZWFXAIVRLQL-APIJFGDWSA-N 2 2 339.310 4.408 20 0 EIADLP CC[NH+]1CCC([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC1 ZINC001169261857 1060710788 /nfs/dbraw/zinc/71/07/88/1060710788.db2.gz OWNZLZQSHMQOSI-PKTZIBPZSA-N 2 2 332.491 4.347 20 0 EIADLP CC[NH+]1CCC([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC1 ZINC001169261857 1060710809 /nfs/dbraw/zinc/71/08/09/1060710809.db2.gz OWNZLZQSHMQOSI-PKTZIBPZSA-N 2 2 332.491 4.347 20 0 EIADLP Cc1c[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1C ZINC001164996283 722209688 /nfs/dbraw/zinc/20/96/88/722209688.db2.gz SRUHQGYDWCFRRT-NRFANRHFSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1c[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1C ZINC001164996283 722209689 /nfs/dbraw/zinc/20/96/89/722209689.db2.gz SRUHQGYDWCFRRT-NRFANRHFSA-N 2 2 339.458 4.082 20 0 EIADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000532230410 1032108708 /nfs/dbraw/zinc/10/87/08/1032108708.db2.gz OMJJYMHWJZYXGM-GGPKGHCWSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1sccc1Br ZINC000532233220 1032112912 /nfs/dbraw/zinc/11/29/12/1032112912.db2.gz QZPODVYZZJRMSC-LLVKDONJSA-N 2 2 340.290 4.058 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC(F)F)cc1 ZINC000360079883 1032239796 /nfs/dbraw/zinc/23/97/96/1032239796.db2.gz REMGGVABYDRSSW-NVXWUHKLSA-N 2 2 349.425 4.411 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(F)c1F ZINC001143596757 1032264862 /nfs/dbraw/zinc/26/48/62/1032264862.db2.gz BHYPYLMUVNBBRY-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(F)c1F ZINC001143596757 1032264880 /nfs/dbraw/zinc/26/48/80/1032264880.db2.gz BHYPYLMUVNBBRY-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245557592 1032310873 /nfs/dbraw/zinc/31/08/73/1032310873.db2.gz VBHWBQBUMXBAAW-PKOBYXMFSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245557592 1032310884 /nfs/dbraw/zinc/31/08/84/1032310884.db2.gz VBHWBQBUMXBAAW-PKOBYXMFSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245557592 1032310900 /nfs/dbraw/zinc/31/09/00/1032310900.db2.gz VBHWBQBUMXBAAW-PKOBYXMFSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245557592 1032310915 /nfs/dbraw/zinc/31/09/15/1032310915.db2.gz VBHWBQBUMXBAAW-PKOBYXMFSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@H](c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1)C(F)(F)F ZINC000450264173 1032384570 /nfs/dbraw/zinc/38/45/70/1032384570.db2.gz FATNGRLAHXVRBL-OAHLLOKOSA-N 2 2 340.433 4.413 20 0 EIADLP CC(C)Oc1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000450289941 1032403982 /nfs/dbraw/zinc/40/39/82/1032403982.db2.gz CGANLKXCOHLSTC-UHFFFAOYSA-N 2 2 336.439 4.060 20 0 EIADLP Cc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000533227792 1032558057 /nfs/dbraw/zinc/55/80/57/1032558057.db2.gz KJZIDIOPCAWFKC-HXUWFJFHSA-N 2 2 342.527 4.073 20 0 EIADLP Cc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c(C)c1 ZINC000533227792 1032558063 /nfs/dbraw/zinc/55/80/63/1032558063.db2.gz KJZIDIOPCAWFKC-HXUWFJFHSA-N 2 2 342.527 4.073 20 0 EIADLP CC[N@@H+](Cc1nc2ccccc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154647 1032658484 /nfs/dbraw/zinc/65/84/84/1032658484.db2.gz MSDQIXFVCMMIDX-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP CC[N@H+](Cc1nc2ccccc2o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154647 1032658525 /nfs/dbraw/zinc/65/85/25/1032658525.db2.gz MSDQIXFVCMMIDX-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP CC[NH+](Cc1nc2ccccc2o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154647 1032658553 /nfs/dbraw/zinc/65/85/53/1032658553.db2.gz MSDQIXFVCMMIDX-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP CC[NH+](Cc1nc2ccccc2o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154647 1032658581 /nfs/dbraw/zinc/65/85/81/1032658581.db2.gz MSDQIXFVCMMIDX-IBGZPJMESA-N 2 2 349.478 4.172 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000683108138 1018835937 /nfs/dbraw/zinc/83/59/37/1018835937.db2.gz AHMTYRMYELBNPY-OKZBNKHCSA-N 2 2 343.540 4.214 20 0 EIADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)c1F ZINC001143373938 1019123496 /nfs/dbraw/zinc/12/34/96/1019123496.db2.gz FRLXXQLYLJKSMC-ROUUACIJSA-N 2 2 344.499 4.068 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)co2)cc1 ZINC000579822387 1019381188 /nfs/dbraw/zinc/38/11/88/1019381188.db2.gz GUJPSQLAABAPGG-HSALFYBXSA-N 2 2 339.483 4.050 20 0 EIADLP C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000326685484 1020533280 /nfs/dbraw/zinc/53/32/80/1020533280.db2.gz OWJSNLMVRNGHFB-GOSISDBHSA-N 2 2 334.467 4.049 20 0 EIADLP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510241009 1020567918 /nfs/dbraw/zinc/56/79/18/1020567918.db2.gz IRDHOZJCYJGPIE-UHFFFAOYSA-N 2 2 328.887 4.436 20 0 EIADLP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510241009 1020567932 /nfs/dbraw/zinc/56/79/32/1020567932.db2.gz IRDHOZJCYJGPIE-UHFFFAOYSA-N 2 2 328.887 4.436 20 0 EIADLP c1c2ccccc2oc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236736976 1020648560 /nfs/dbraw/zinc/64/85/60/1020648560.db2.gz VOCAEIULGLTYDP-UHFFFAOYSA-N 2 2 334.463 4.230 20 0 EIADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302630 1020979382 /nfs/dbraw/zinc/97/93/82/1020979382.db2.gz RMUKCWJRLUXUTJ-JOCHJYFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302630 1020979387 /nfs/dbraw/zinc/97/93/87/1020979387.db2.gz RMUKCWJRLUXUTJ-JOCHJYFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302630 1020979395 /nfs/dbraw/zinc/97/93/95/1020979395.db2.gz RMUKCWJRLUXUTJ-JOCHJYFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302630 1020979398 /nfs/dbraw/zinc/97/93/98/1020979398.db2.gz RMUKCWJRLUXUTJ-JOCHJYFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340439310 1021026589 /nfs/dbraw/zinc/02/65/89/1021026589.db2.gz KFLUUELSKIQRLP-HGSOSGBHSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340439310 1021026594 /nfs/dbraw/zinc/02/65/94/1021026594.db2.gz KFLUUELSKIQRLP-HGSOSGBHSA-N 2 2 349.522 4.075 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683691793 1021099674 /nfs/dbraw/zinc/09/96/74/1021099674.db2.gz LBBOPCHPVSTCGI-BJWYYQGGSA-N 2 2 330.859 4.218 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000683691793 1021099682 /nfs/dbraw/zinc/09/96/82/1021099682.db2.gz LBBOPCHPVSTCGI-BJWYYQGGSA-N 2 2 330.859 4.218 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059981 1021586601 /nfs/dbraw/zinc/58/66/01/1021586601.db2.gz JSXSFOISMNNZTG-IIBYNOLFSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059981 1021586607 /nfs/dbraw/zinc/58/66/07/1021586607.db2.gz JSXSFOISMNNZTG-IIBYNOLFSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059981 1021586611 /nfs/dbraw/zinc/58/66/11/1021586611.db2.gz JSXSFOISMNNZTG-IIBYNOLFSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059981 1021586615 /nfs/dbraw/zinc/58/66/15/1021586615.db2.gz JSXSFOISMNNZTG-IIBYNOLFSA-N 2 2 326.459 4.265 20 0 EIADLP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835060 1021658343 /nfs/dbraw/zinc/65/83/43/1021658343.db2.gz ZSGUTMXHQPRRCU-UYAOXDASSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835060 1021658353 /nfs/dbraw/zinc/65/83/53/1021658353.db2.gz ZSGUTMXHQPRRCU-UYAOXDASSA-N 2 2 341.543 4.013 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000414057105 1021746402 /nfs/dbraw/zinc/74/64/02/1021746402.db2.gz FFDQSDKAOSYBFG-RBUKOAKNSA-N 2 2 341.499 4.003 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000414056409 1021747219 /nfs/dbraw/zinc/74/72/19/1021747219.db2.gz DJPNGWXFDXHZHE-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP Clc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1Cl ZINC000414103975 1021854732 /nfs/dbraw/zinc/85/47/32/1021854732.db2.gz XVOPNLPKAWDWEW-UHFFFAOYSA-N 2 2 325.283 4.199 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000414119791 1021877637 /nfs/dbraw/zinc/87/76/37/1021877637.db2.gz WXAZBXBOLWHBNT-UAGQMJEPSA-N 2 2 329.513 4.334 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414121711 1021883221 /nfs/dbraw/zinc/88/32/21/1021883221.db2.gz AAQSUXYKRKGUFH-NJAFHUGGSA-N 2 2 329.875 4.167 20 0 EIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Cl)cc1Cl ZINC000377799698 1022013427 /nfs/dbraw/zinc/01/34/27/1022013427.db2.gz YFXZWOGTRIJNDI-IUCAKERBSA-N 2 2 328.218 4.064 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3ccccc3F)o1)CCC2 ZINC000377836452 1022039286 /nfs/dbraw/zinc/03/92/86/1022039286.db2.gz ATXCJXOHFRAHRB-OAHLLOKOSA-N 2 2 339.414 4.258 20 0 EIADLP Fc1ccccc1-c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000271204425 1022244710 /nfs/dbraw/zinc/24/47/10/1022244710.db2.gz RTTMSBADQWRGLA-UHFFFAOYSA-N 2 2 325.387 4.119 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000160985132 1022389561 /nfs/dbraw/zinc/38/95/61/1022389561.db2.gz OALIETOUXLXPRX-IBGZPJMESA-N 2 2 349.522 4.041 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001203155742 1022390599 /nfs/dbraw/zinc/39/05/99/1022390599.db2.gz GFNNNRWQHIFPHE-IBGZPJMESA-N 2 2 338.495 4.345 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001203155742 1022390607 /nfs/dbraw/zinc/39/06/07/1022390607.db2.gz GFNNNRWQHIFPHE-IBGZPJMESA-N 2 2 338.495 4.345 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c(C)n1 ZINC000651358887 1022717825 /nfs/dbraw/zinc/71/78/25/1022717825.db2.gz DHAHGVSEGRQLQA-CQSZACIVSA-N 2 2 340.858 4.388 20 0 EIADLP Clc1cc(Cl)cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001167442322 1022794535 /nfs/dbraw/zinc/79/45/35/1022794535.db2.gz CQQCEWIHUSCQRM-GOSISDBHSA-N 2 2 341.326 4.486 20 0 EIADLP Clc1cc(Cl)cc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001167442322 1022794558 /nfs/dbraw/zinc/79/45/58/1022794558.db2.gz CQQCEWIHUSCQRM-GOSISDBHSA-N 2 2 341.326 4.486 20 0 EIADLP C[C@@H](Cc1ccsc1)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000584748631 1023276498 /nfs/dbraw/zinc/27/64/98/1023276498.db2.gz ZSMOTUQJZCZTNL-KRWDZBQOSA-N 2 2 328.525 4.276 20 0 EIADLP C[C@@H](Cc1ccsc1)[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000584748631 1023276507 /nfs/dbraw/zinc/27/65/07/1023276507.db2.gz ZSMOTUQJZCZTNL-KRWDZBQOSA-N 2 2 328.525 4.276 20 0 EIADLP C[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000549472639 1023337588 /nfs/dbraw/zinc/33/75/88/1023337588.db2.gz XYVBVOPGYLFGBH-LJQANCHMSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000549472639 1023337593 /nfs/dbraw/zinc/33/75/93/1023337593.db2.gz XYVBVOPGYLFGBH-LJQANCHMSA-N 2 2 343.559 4.237 20 0 EIADLP Clc1ccccc1C1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000378903376 1023389062 /nfs/dbraw/zinc/38/90/62/1023389062.db2.gz ZRKBOBSZHBULSY-UHFFFAOYSA-N 2 2 341.886 4.240 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000163692705 1023397264 /nfs/dbraw/zinc/39/72/64/1023397264.db2.gz VYAFOVKHQXOODM-INIZCTEOSA-N 2 2 344.524 4.048 20 0 EIADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415072924 1023425583 /nfs/dbraw/zinc/42/55/83/1023425583.db2.gz AHQKMFLVWUMDEB-LIRRHRJNSA-N 2 2 332.850 4.158 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390552351 1023674898 /nfs/dbraw/zinc/67/48/98/1023674898.db2.gz DLYSRTQLSQRSMJ-DOTOQJQBSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390552351 1023674909 /nfs/dbraw/zinc/67/49/09/1023674909.db2.gz DLYSRTQLSQRSMJ-DOTOQJQBSA-N 2 2 328.422 4.362 20 0 EIADLP Cc1ncsc1C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547966 1023807772 /nfs/dbraw/zinc/80/77/72/1023807772.db2.gz PZWJXBXUYNHDAJ-UHFFFAOYSA-N 2 2 341.524 4.039 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156504357 1023907361 /nfs/dbraw/zinc/90/73/61/1023907361.db2.gz ZBHFULFCMBSKOT-RYRKJORJSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156504357 1023907365 /nfs/dbraw/zinc/90/73/65/1023907365.db2.gz ZBHFULFCMBSKOT-RYRKJORJSA-N 2 2 336.439 4.182 20 0 EIADLP Fc1ccc(/C=C/C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000581949212 1023922494 /nfs/dbraw/zinc/92/24/94/1023922494.db2.gz SVQGYIVARFLXQH-HNQUOIGGSA-N 2 2 327.447 4.228 20 0 EIADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510541110 1024009046 /nfs/dbraw/zinc/00/90/46/1024009046.db2.gz ZEXDRIDAKWXHSM-GOSISDBHSA-N 2 2 327.472 4.214 20 0 EIADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510541110 1024009062 /nfs/dbraw/zinc/00/90/62/1024009062.db2.gz ZEXDRIDAKWXHSM-GOSISDBHSA-N 2 2 327.472 4.214 20 0 EIADLP CC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510731649 1024360658 /nfs/dbraw/zinc/36/06/58/1024360658.db2.gz ICVSSIIZPLQLOF-OAQYLSRUSA-N 2 2 326.459 4.297 20 0 EIADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000510757341 1024395320 /nfs/dbraw/zinc/39/53/20/1024395320.db2.gz WITAJILULVHNPQ-OAHLLOKOSA-N 2 2 333.426 4.163 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661796933 1024524051 /nfs/dbraw/zinc/52/40/51/1024524051.db2.gz ANAXZKILOZNHKD-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661796933 1024524067 /nfs/dbraw/zinc/52/40/67/1024524067.db2.gz ANAXZKILOZNHKD-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Clc1scc(C[NH2+]CCCCNc2cccc[nH+]2)c1Cl ZINC000432242973 1024723318 /nfs/dbraw/zinc/72/33/18/1024723318.db2.gz QLIBGWNGBQNVQC-UHFFFAOYSA-N 2 2 330.284 4.432 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093693473 1024842899 /nfs/dbraw/zinc/84/28/99/1024842899.db2.gz XZTMBHDLNRYLAO-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093693473 1024842904 /nfs/dbraw/zinc/84/29/04/1024842904.db2.gz XZTMBHDLNRYLAO-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP c1csc(Cn2cccc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000161775783 1025072102 /nfs/dbraw/zinc/07/21/02/1025072102.db2.gz KNSDOIZAWNZEOX-UHFFFAOYSA-N 2 2 348.475 4.073 20 0 EIADLP c1sc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000663347137 1025142301 /nfs/dbraw/zinc/14/23/01/1025142301.db2.gz ZSBTTYDGABNENB-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP c1sc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC000663347137 1025142304 /nfs/dbraw/zinc/14/23/04/1025142304.db2.gz ZSBTTYDGABNENB-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000151321934 1025280250 /nfs/dbraw/zinc/28/02/50/1025280250.db2.gz AHDVJHDZBXAERE-HXUWFJFHSA-N 2 2 341.405 4.451 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000151319576 1025281828 /nfs/dbraw/zinc/28/18/28/1025281828.db2.gz XRRLZJAKYQGHAY-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)s1 ZINC000511988284 1025425106 /nfs/dbraw/zinc/42/51/06/1025425106.db2.gz HIOKNWOUFNWTCY-IBGZPJMESA-N 2 2 347.503 4.365 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344000061 1025865753 /nfs/dbraw/zinc/86/57/53/1025865753.db2.gz VWWITXPCNTXVLX-MTNREXPMSA-N 2 2 347.462 4.443 20 0 EIADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1F ZINC000432410849 1025880109 /nfs/dbraw/zinc/88/01/09/1025880109.db2.gz SFVGMORSVQGXDK-RHSMWYFYSA-N 2 2 342.886 4.021 20 0 EIADLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1F ZINC000432410849 1025880112 /nfs/dbraw/zinc/88/01/12/1025880112.db2.gz SFVGMORSVQGXDK-RHSMWYFYSA-N 2 2 342.886 4.021 20 0 EIADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000187694252 1025882487 /nfs/dbraw/zinc/88/24/87/1025882487.db2.gz PUVSYPWTDAXLQF-CQSZACIVSA-N 2 2 342.668 4.040 20 0 EIADLP CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166966628 1025892920 /nfs/dbraw/zinc/89/29/20/1025892920.db2.gz FARDUMJFTHWVNB-AWEZNQCLSA-N 2 2 338.455 4.144 20 0 EIADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000472145565 1026039115 /nfs/dbraw/zinc/03/91/15/1026039115.db2.gz JFSWTQXMIOTSET-HXUWFJFHSA-N 2 2 335.495 4.334 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000512130981 1026083818 /nfs/dbraw/zinc/08/38/18/1026083818.db2.gz PYVVVJIIQHAGHQ-UPHRSURJSA-N 2 2 339.389 4.013 20 0 EIADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152119200 1026113010 /nfs/dbraw/zinc/11/30/10/1026113010.db2.gz PQKDIOWBGDQTIT-QGZVFWFLSA-N 2 2 335.451 4.181 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)Cn1cc[nH+]c1 ZINC000072043960 1026140068 /nfs/dbraw/zinc/14/00/68/1026140068.db2.gz BIQDQWDFXJJCQO-CQSZACIVSA-N 2 2 329.444 4.177 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657337837 1026165551 /nfs/dbraw/zinc/16/55/51/1026165551.db2.gz COSFXNDTZMVRID-UHFFFAOYSA-N 2 2 340.515 4.130 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000152230103 1026232305 /nfs/dbraw/zinc/23/23/05/1026232305.db2.gz BDJYICVPTKGESL-GOSISDBHSA-N 2 2 327.378 4.391 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(Cl)c1 ZINC000152462537 1026588729 /nfs/dbraw/zinc/58/87/29/1026588729.db2.gz JKBPQCKBVYLMFX-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(Cl)c1 ZINC000152462537 1026588740 /nfs/dbraw/zinc/58/87/40/1026588740.db2.gz JKBPQCKBVYLMFX-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1OC ZINC000152749058 1026834454 /nfs/dbraw/zinc/83/44/54/1026834454.db2.gz FYWIFEZOEAVMMS-KRWDZBQOSA-N 2 2 347.890 4.165 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000507608330 1026847704 /nfs/dbraw/zinc/84/77/04/1026847704.db2.gz WTCQJWLLMLHMDR-FQEVSTJZSA-N 2 2 331.463 4.421 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000507608330 1026847709 /nfs/dbraw/zinc/84/77/09/1026847709.db2.gz WTCQJWLLMLHMDR-FQEVSTJZSA-N 2 2 331.463 4.421 20 0 EIADLP FC(F)(F)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758037 1027064908 /nfs/dbraw/zinc/06/49/08/1027064908.db2.gz YPTJRSAZMIAUHA-UHFFFAOYSA-N 2 2 345.368 4.240 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000474624491 1027325014 /nfs/dbraw/zinc/32/50/14/1027325014.db2.gz UZNXKEHIBXQZPV-SJORKVTESA-N 2 2 335.451 4.163 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000342864734 1027348675 /nfs/dbraw/zinc/34/86/75/1027348675.db2.gz PQRIAUCDBIMCAB-UHFFFAOYSA-N 2 2 335.451 4.037 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000342864734 1027348703 /nfs/dbraw/zinc/34/87/03/1027348703.db2.gz PQRIAUCDBIMCAB-UHFFFAOYSA-N 2 2 335.451 4.037 20 0 EIADLP Fc1cccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)c1F ZINC000475557800 1027603668 /nfs/dbraw/zinc/60/36/68/1027603668.db2.gz DZMGEIZMVUWOFW-UHFFFAOYSA-N 2 2 346.421 4.331 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1F ZINC000153701296 1027879709 /nfs/dbraw/zinc/87/97/09/1027879709.db2.gz OPGMKZFRSOFPLE-LBPRGKRZSA-N 2 2 345.368 4.449 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383472211 1027959649 /nfs/dbraw/zinc/95/96/49/1027959649.db2.gz PWXWMSKHJXNMRC-KRWDZBQOSA-N 2 2 346.877 4.481 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383472211 1027959666 /nfs/dbraw/zinc/95/96/66/1027959666.db2.gz PWXWMSKHJXNMRC-KRWDZBQOSA-N 2 2 346.877 4.481 20 0 EIADLP CSCC1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000395346292 1028169819 /nfs/dbraw/zinc/16/98/19/1028169819.db2.gz GRRWHIRWMSGJNY-HJOIGYKYSA-N 2 2 329.513 4.445 20 0 EIADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346185771 1028292385 /nfs/dbraw/zinc/29/23/85/1028292385.db2.gz SFNDQRBEDMJQQJ-CYBMUJFWSA-N 2 2 346.525 4.454 20 0 EIADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346185771 1028292405 /nfs/dbraw/zinc/29/24/05/1028292405.db2.gz SFNDQRBEDMJQQJ-CYBMUJFWSA-N 2 2 346.525 4.454 20 0 EIADLP COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346198878 1028325361 /nfs/dbraw/zinc/32/53/61/1028325361.db2.gz FSZYUUULJFZTCJ-HNNXBMFYSA-N 2 2 341.480 4.005 20 0 EIADLP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346198878 1028325381 /nfs/dbraw/zinc/32/53/81/1028325381.db2.gz FSZYUUULJFZTCJ-HNNXBMFYSA-N 2 2 341.480 4.005 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1F)C(C)C ZINC000346227880 1028335186 /nfs/dbraw/zinc/33/51/86/1028335186.db2.gz YKZDUHZPQBEEIY-UHFFFAOYSA-N 2 2 338.430 4.125 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccccc1F)C(C)C ZINC000346227880 1028335201 /nfs/dbraw/zinc/33/52/01/1028335201.db2.gz YKZDUHZPQBEEIY-UHFFFAOYSA-N 2 2 338.430 4.125 20 0 EIADLP C[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346522696 1028479197 /nfs/dbraw/zinc/47/91/97/1028479197.db2.gz DPLGHHMGKVKSOD-GOSISDBHSA-N 2 2 335.451 4.130 20 0 EIADLP CC(C)[NH+](CCSCc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000445604398 1028768618 /nfs/dbraw/zinc/76/86/18/1028768618.db2.gz LNACZTGWVYIQIA-UHFFFAOYSA-N 2 2 331.529 4.283 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1)C2 ZINC000156883514 1028863729 /nfs/dbraw/zinc/86/37/29/1028863729.db2.gz ATPGUWUUDVXVCE-WBVHZDCISA-N 2 2 327.472 4.034 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1csc(C(F)(F)F)c1 ZINC000925173234 1028900018 /nfs/dbraw/zinc/90/00/18/1028900018.db2.gz XLCWXQASSHYJMP-GHMZBOCLSA-N 2 2 329.391 4.192 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000444196684 1029063287 /nfs/dbraw/zinc/06/32/87/1029063287.db2.gz QLTBHGGEKAVDSN-HXUWFJFHSA-N 2 2 342.527 4.122 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000444196684 1029063301 /nfs/dbraw/zinc/06/33/01/1029063301.db2.gz QLTBHGGEKAVDSN-HXUWFJFHSA-N 2 2 342.527 4.122 20 0 EIADLP C[C@H]1CCC[C@H](C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475330650 1029540394 /nfs/dbraw/zinc/54/03/94/1029540394.db2.gz CQAZQOCUMHVUIS-JCAIJIATSA-N 2 2 332.454 4.208 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000475345422 1029560349 /nfs/dbraw/zinc/56/03/49/1029560349.db2.gz APOQYJULWJSIOR-HYOCIYNVSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475353212 1029569142 /nfs/dbraw/zinc/56/91/42/1029569142.db2.gz FPKNTVUOHPPGJR-JCAIJIATSA-N 2 2 332.454 4.208 20 0 EIADLP Fc1ccc2c(NCCc3[nH+]ccn3Cc3ccccc3)cc[nH+]c2c1 ZINC000301256902 1029695249 /nfs/dbraw/zinc/69/52/49/1029695249.db2.gz KOIJIPHLYKZTBO-UHFFFAOYSA-N 2 2 346.409 4.273 20 0 EIADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090100587 1029863011 /nfs/dbraw/zinc/86/30/11/1029863011.db2.gz XWYOPSLSNMATOR-VQTJNVASSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000092073655 1029900649 /nfs/dbraw/zinc/90/06/49/1029900649.db2.gz HSOJHHPLCPHDLW-HIFRSBDPSA-N 2 2 348.288 4.155 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000092073655 1029900671 /nfs/dbraw/zinc/90/06/71/1029900671.db2.gz HSOJHHPLCPHDLW-HIFRSBDPSA-N 2 2 348.288 4.155 20 0 EIADLP FC1(F)CCCC[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450718661 1029932670 /nfs/dbraw/zinc/93/26/70/1029932670.db2.gz UPPHMXFFHSDZNF-KRWDZBQOSA-N 2 2 325.447 4.201 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001168158262 1030094281 /nfs/dbraw/zinc/09/42/81/1030094281.db2.gz LTRXJASAURPXLB-MRXNPFEDSA-N 2 2 343.902 4.172 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226270 1030219129 /nfs/dbraw/zinc/21/91/29/1030219129.db2.gz ZEZZCOROZDLVBC-WBMJQRKESA-N 2 2 345.487 4.193 20 0 EIADLP Clc1ccccc1C[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000685431936 1030309214 /nfs/dbraw/zinc/30/92/14/1030309214.db2.gz UZRKMFHEKNNFHW-UHFFFAOYSA-N 2 2 329.875 4.252 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168169510 1030454394 /nfs/dbraw/zinc/45/43/94/1030454394.db2.gz YWPROPLBOBJHAI-SNRMKQJTSA-N 2 2 343.902 4.443 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000685566889 1030521278 /nfs/dbraw/zinc/52/12/78/1030521278.db2.gz PGRVOJAJASBGJI-KRWDZBQOSA-N 2 2 347.547 4.449 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000685566889 1030521315 /nfs/dbraw/zinc/52/13/15/1030521315.db2.gz PGRVOJAJASBGJI-KRWDZBQOSA-N 2 2 347.547 4.449 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Br)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191240629 1030610136 /nfs/dbraw/zinc/61/01/36/1030610136.db2.gz ZQGHVIIKGYDOLO-GFCCVEGCSA-N 2 2 346.228 4.079 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCSCC2)c(C)c1 ZINC000657930752 1030623199 /nfs/dbraw/zinc/62/31/99/1030623199.db2.gz KOPXZSVPTMULPC-IEBWSBKVSA-N 2 2 329.513 4.117 20 0 EIADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000685662181 1030661178 /nfs/dbraw/zinc/66/11/78/1030661178.db2.gz WKQOHABCESQQLN-LSDHHAIUSA-N 2 2 337.389 4.417 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000093644180 1030740759 /nfs/dbraw/zinc/74/07/59/1030740759.db2.gz KJHJAGJMJGFZQR-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000093644180 1030740780 /nfs/dbraw/zinc/74/07/80/1030740780.db2.gz KJHJAGJMJGFZQR-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644180 1030740798 /nfs/dbraw/zinc/74/07/98/1030740798.db2.gz KJHJAGJMJGFZQR-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644180 1030740825 /nfs/dbraw/zinc/74/08/25/1030740825.db2.gz KJHJAGJMJGFZQR-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP CC1(C)[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000657998156 1030758681 /nfs/dbraw/zinc/75/86/81/1030758681.db2.gz JIGSHDWAYPHKGA-GADNRMJZSA-N 2 2 344.465 4.206 20 0 EIADLP COCCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000122399795 1030813314 /nfs/dbraw/zinc/81/33/14/1030813314.db2.gz XRIAEZQUOPNMOU-KRWDZBQOSA-N 2 2 327.472 4.120 20 0 EIADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000658168016 1030864176 /nfs/dbraw/zinc/86/41/76/1030864176.db2.gz RMLPSURQSMUZDT-HXUWFJFHSA-N 2 2 327.447 4.176 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000658195458 1030879123 /nfs/dbraw/zinc/87/91/23/1030879123.db2.gz NKNMVIWNVGHYEB-DQVLVPHSSA-N 2 2 349.453 4.379 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191539 1030964458 /nfs/dbraw/zinc/96/44/58/1030964458.db2.gz GRMJSHFFWUWORU-CRAIPNDOSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191539 1030964475 /nfs/dbraw/zinc/96/44/75/1030964475.db2.gz GRMJSHFFWUWORU-CRAIPNDOSA-N 2 2 330.859 4.128 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000340295786 1031206134 /nfs/dbraw/zinc/20/61/34/1031206134.db2.gz QLXRPDWSNRMHIT-SXLOBPIMSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000340295786 1031206144 /nfs/dbraw/zinc/20/61/44/1031206144.db2.gz QLXRPDWSNRMHIT-SXLOBPIMSA-N 2 2 340.442 4.074 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507549 1031229154 /nfs/dbraw/zinc/22/91/54/1031229154.db2.gz GXMCNMQGOSDVKH-DNVCBOLYSA-N 2 2 328.431 4.048 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507549 1031229160 /nfs/dbraw/zinc/22/91/60/1031229160.db2.gz GXMCNMQGOSDVKH-DNVCBOLYSA-N 2 2 328.431 4.048 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000532497436 1031236442 /nfs/dbraw/zinc/23/64/42/1031236442.db2.gz XVYPLSZUCKPGRN-CQSZACIVSA-N 2 2 348.288 4.387 20 0 EIADLP CN(CCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001168207523 1031263079 /nfs/dbraw/zinc/26/30/79/1031263079.db2.gz AKNONLLHHFDSAD-UHFFFAOYSA-N 2 2 339.527 4.013 20 0 EIADLP CN(CCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001168207523 1031263099 /nfs/dbraw/zinc/26/30/99/1031263099.db2.gz AKNONLLHHFDSAD-UHFFFAOYSA-N 2 2 339.527 4.013 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000531535219 1031339220 /nfs/dbraw/zinc/33/92/20/1031339220.db2.gz TWDAZMWWWCFPOL-UHFFFAOYSA-N 2 2 335.451 4.129 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030623 1031367060 /nfs/dbraw/zinc/36/70/60/1031367060.db2.gz SCVFCRIKLKFUMT-KBXCAEBGSA-N 2 2 347.503 4.111 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030623 1031367078 /nfs/dbraw/zinc/36/70/78/1031367078.db2.gz SCVFCRIKLKFUMT-KBXCAEBGSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030623 1031367090 /nfs/dbraw/zinc/36/70/90/1031367090.db2.gz SCVFCRIKLKFUMT-KBXCAEBGSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030623 1031367103 /nfs/dbraw/zinc/36/71/03/1031367103.db2.gz SCVFCRIKLKFUMT-KBXCAEBGSA-N 2 2 347.503 4.111 20 0 EIADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000449084443 1031413405 /nfs/dbraw/zinc/41/34/05/1031413405.db2.gz XXZDYXRZGIQURS-HOTGVXAUSA-N 2 2 343.540 4.219 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449146320 1031481003 /nfs/dbraw/zinc/48/10/03/1031481003.db2.gz BYYVJUCMSCJUGQ-MRXNPFEDSA-N 2 2 335.451 4.143 20 0 EIADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000449156721 1031487899 /nfs/dbraw/zinc/48/78/99/1031487899.db2.gz OOSMUNUUMWMOKE-ROUUACIJSA-N 2 2 332.532 4.301 20 0 EIADLP C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000449167358 1031506700 /nfs/dbraw/zinc/50/67/00/1031506700.db2.gz JPHREKGBNGRVCE-INIZCTEOSA-N 2 2 335.455 4.035 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000528441674 1031526007 /nfs/dbraw/zinc/52/60/07/1031526007.db2.gz QSFCYZNFZMJMRL-CVEARBPZSA-N 2 2 343.540 4.347 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000528441674 1031526015 /nfs/dbraw/zinc/52/60/15/1031526015.db2.gz QSFCYZNFZMJMRL-CVEARBPZSA-N 2 2 343.540 4.347 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCc3ccccc3CC2)[nH+]1 ZINC000453072683 1031538014 /nfs/dbraw/zinc/53/80/14/1031538014.db2.gz FQMPNHGABSTBGJ-UHFFFAOYSA-N 2 2 345.490 4.011 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cncc(F)c1 ZINC000125160950 1031576669 /nfs/dbraw/zinc/57/66/69/1031576669.db2.gz XNADHELPFSCIJE-HZPDHXFCSA-N 2 2 327.447 4.097 20 0 EIADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453088993 1031579919 /nfs/dbraw/zinc/57/99/19/1031579919.db2.gz ZSIXXJVXYLWSAB-QGZVFWFLSA-N 2 2 327.472 4.255 20 0 EIADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453088993 1031579925 /nfs/dbraw/zinc/57/99/25/1031579925.db2.gz ZSIXXJVXYLWSAB-QGZVFWFLSA-N 2 2 327.472 4.255 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000453128518 1031631240 /nfs/dbraw/zinc/63/12/40/1031631240.db2.gz WWXXWVJSOWUINX-ZWKOTPCHSA-N 2 2 334.467 4.329 20 0 EIADLP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000449399375 1031703946 /nfs/dbraw/zinc/70/39/46/1031703946.db2.gz AHQFWNBOPHUTKR-GMAHTHKFSA-N 2 2 349.522 4.220 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000453356223 1031885562 /nfs/dbraw/zinc/88/55/62/1031885562.db2.gz PCDVGKMHRVPSII-HZTRTUMWSA-N 2 2 327.497 4.086 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000453356223 1031885564 /nfs/dbraw/zinc/88/55/64/1031885564.db2.gz PCDVGKMHRVPSII-HZTRTUMWSA-N 2 2 327.497 4.086 20 0 EIADLP C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531968924 1031891323 /nfs/dbraw/zinc/89/13/23/1031891323.db2.gz GUOPMVFUTPYGQY-QGZVFWFLSA-N 2 2 327.472 4.262 20 0 EIADLP c1coc([C@@H]2[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC23CCC3)c1 ZINC000449640489 1031896934 /nfs/dbraw/zinc/89/69/34/1031896934.db2.gz SEKNEVVUOVOLTP-KRWDZBQOSA-N 2 2 325.437 4.254 20 0 EIADLP c1coc([C@@H]2[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC23CCC3)c1 ZINC000449640489 1031896936 /nfs/dbraw/zinc/89/69/36/1031896936.db2.gz SEKNEVVUOVOLTP-KRWDZBQOSA-N 2 2 325.437 4.254 20 0 EIADLP CC1(C)Cc2occc2[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000132160226 1031902567 /nfs/dbraw/zinc/90/25/67/1031902567.db2.gz WFMIXWRLQAUVBM-LJQANCHMSA-N 2 2 349.478 4.370 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCc3ccccc32)[nH+]1 ZINC000132267827 1031908085 /nfs/dbraw/zinc/90/80/85/1031908085.db2.gz APRGQXJFVTZMLE-NRFANRHFSA-N 2 2 331.463 4.141 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264678 1032021904 /nfs/dbraw/zinc/02/19/04/1032021904.db2.gz LKHFTQMVZLDIST-GLJUWKHASA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264678 1032021921 /nfs/dbraw/zinc/02/19/21/1032021921.db2.gz LKHFTQMVZLDIST-GLJUWKHASA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264678 1032021943 /nfs/dbraw/zinc/02/19/43/1032021943.db2.gz LKHFTQMVZLDIST-GLJUWKHASA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168264678 1032021959 /nfs/dbraw/zinc/02/19/59/1032021959.db2.gz LKHFTQMVZLDIST-GLJUWKHASA-N 2 2 336.882 4.489 20 0 EIADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000193431137 1032048387 /nfs/dbraw/zinc/04/83/87/1032048387.db2.gz SCQMKIKEOFCBHW-UTKZUKDTSA-N 2 2 335.451 4.301 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152133947 1033558625 /nfs/dbraw/zinc/55/86/25/1033558625.db2.gz NPUPOIOLXVIUNS-YCRPNKLZSA-N 2 2 335.426 4.094 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)ccn2)c1C ZINC000152145551 1033588188 /nfs/dbraw/zinc/58/81/88/1033588188.db2.gz SWXPLBOPHUHNSL-VQIMIIECSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)c1C ZINC000152145551 1033588194 /nfs/dbraw/zinc/58/81/94/1033588194.db2.gz SWXPLBOPHUHNSL-VQIMIIECSA-N 2 2 339.483 4.063 20 0 EIADLP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513345085 1034891425 /nfs/dbraw/zinc/89/14/25/1034891425.db2.gz GOINKEGCVSOBHK-GOEBONIOSA-N 2 2 341.421 4.009 20 0 EIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000513442142 1034949220 /nfs/dbraw/zinc/94/92/20/1034949220.db2.gz FCHWUPBYMNGDKN-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000513442142 1034949228 /nfs/dbraw/zinc/94/92/28/1034949228.db2.gz FCHWUPBYMNGDKN-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP COc1ccc(C)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513472452 1034976649 /nfs/dbraw/zinc/97/66/49/1034976649.db2.gz FNWFFUBBLPVEEX-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP COc1ccc(C)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513472452 1034976656 /nfs/dbraw/zinc/97/66/56/1034976656.db2.gz FNWFFUBBLPVEEX-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP Cc1cc(F)ccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513490388 1034982005 /nfs/dbraw/zinc/98/20/05/1034982005.db2.gz NINHXJQURFHWQY-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1cc(F)ccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513490388 1034982017 /nfs/dbraw/zinc/98/20/17/1034982017.db2.gz NINHXJQURFHWQY-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000513526802 1035021632 /nfs/dbraw/zinc/02/16/32/1035021632.db2.gz QFNJNVYAEMNPIM-IDKBZEPQSA-N 2 2 329.875 4.415 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000151166294 1035544503 /nfs/dbraw/zinc/54/45/03/1035544503.db2.gz URQWISNVSVAYFE-AWEZNQCLSA-N 2 2 341.952 4.273 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000151166294 1035544547 /nfs/dbraw/zinc/54/45/47/1035544547.db2.gz URQWISNVSVAYFE-AWEZNQCLSA-N 2 2 341.952 4.273 20 0 EIADLP CCCCc1ccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420374968 1035573034 /nfs/dbraw/zinc/57/30/34/1035573034.db2.gz OLHMAXLFGJLHSM-GOSISDBHSA-N 2 2 344.503 4.093 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1Cl ZINC000195448274 1035845565 /nfs/dbraw/zinc/84/55/65/1035845565.db2.gz HBVNOORXHMHDEN-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP C[N@H+](Cc1cccc(C2CC2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000421319357 1036263147 /nfs/dbraw/zinc/26/31/47/1036263147.db2.gz MHXLAWDEBYWRSM-UHFFFAOYSA-N 2 2 349.522 4.098 20 0 EIADLP C[N@@H+](Cc1cccc(C2CC2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000421319357 1036263176 /nfs/dbraw/zinc/26/31/76/1036263176.db2.gz MHXLAWDEBYWRSM-UHFFFAOYSA-N 2 2 349.522 4.098 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421342510 1036285283 /nfs/dbraw/zinc/28/52/83/1036285283.db2.gz NVZGTDDEVTWNDI-QGZVFWFLSA-N 2 2 327.516 4.310 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720491 1036560456 /nfs/dbraw/zinc/56/04/56/1036560456.db2.gz GAHXPXICJJNWIF-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720491 1036560483 /nfs/dbraw/zinc/56/04/83/1036560483.db2.gz GAHXPXICJJNWIF-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720491 1036560508 /nfs/dbraw/zinc/56/05/08/1036560508.db2.gz GAHXPXICJJNWIF-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720491 1036560532 /nfs/dbraw/zinc/56/05/32/1036560532.db2.gz GAHXPXICJJNWIF-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829452 1036790806 /nfs/dbraw/zinc/79/08/06/1036790806.db2.gz HYXYFXYFLNOXJZ-RYRKJORJSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829452 1036790823 /nfs/dbraw/zinc/79/08/23/1036790823.db2.gz HYXYFXYFLNOXJZ-RYRKJORJSA-N 2 2 343.902 4.439 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000572638861 1036804410 /nfs/dbraw/zinc/80/44/10/1036804410.db2.gz VAKMBSKXNJTMOL-OWTLUSIOSA-N 2 2 337.389 4.231 20 0 EIADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1 ZINC000271754350 1037005217 /nfs/dbraw/zinc/00/52/17/1037005217.db2.gz IDUIDNRHSMFNCR-JOCHJYFZSA-N 2 2 331.463 4.481 20 0 EIADLP COCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000272693347 1037268578 /nfs/dbraw/zinc/26/85/78/1037268578.db2.gz XKCLFQPMEWGTLQ-QFBILLFUSA-N 2 2 339.439 4.202 20 0 EIADLP COCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000272693348 1037269339 /nfs/dbraw/zinc/26/93/39/1037269339.db2.gz XKCLFQPMEWGTLQ-VQIMIIECSA-N 2 2 339.439 4.202 20 0 EIADLP Cc1ccccc1C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000272917493 1037323932 /nfs/dbraw/zinc/32/39/32/1037323932.db2.gz RGYZLZMVVYVFOZ-UHFFFAOYSA-N 2 2 340.433 4.033 20 0 EIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(F)c1 ZINC000272985944 1037337516 /nfs/dbraw/zinc/33/75/16/1037337516.db2.gz YTKZKEROFFELCQ-UHFFFAOYSA-N 2 2 346.412 4.110 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000273035473 1037347486 /nfs/dbraw/zinc/34/74/86/1037347486.db2.gz GIFWBMABXRXMSQ-HNNXBMFYSA-N 2 2 339.414 4.179 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CS[C@H](C(C)C)C2)c(C)c1 ZINC000488450384 1037604075 /nfs/dbraw/zinc/60/40/75/1037604075.db2.gz SDOYSKUFDZNQOL-HOJAQTOUSA-N 2 2 343.540 4.361 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380583 1037733034 /nfs/dbraw/zinc/73/30/34/1037733034.db2.gz XJYDMKWGFHSNNW-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380583 1037733052 /nfs/dbraw/zinc/73/30/52/1037733052.db2.gz XJYDMKWGFHSNNW-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422854819 1037846739 /nfs/dbraw/zinc/84/67/39/1037846739.db2.gz DDCFCTWTPBYSHA-YADHBBJMSA-N 2 2 338.495 4.024 20 0 EIADLP c1cn(CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c[nH+]1 ZINC000574376129 1038216344 /nfs/dbraw/zinc/21/63/44/1038216344.db2.gz QRYDGXFYOUKUKF-FQEVSTJZSA-N 2 2 339.483 4.046 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423448590 1038228937 /nfs/dbraw/zinc/22/89/37/1038228937.db2.gz QPADWMRONXKXGQ-MRXNPFEDSA-N 2 2 332.451 4.081 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556825 1038295421 /nfs/dbraw/zinc/29/54/21/1038295421.db2.gz MTILJOCXGVBWKI-MLGOLLRUSA-N 2 2 333.476 4.050 20 0 EIADLP [NH3+][C@H](CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)CC1CCCCC1 ZINC000424152108 1038648349 /nfs/dbraw/zinc/64/83/49/1038648349.db2.gz IHFVEWJQCFQWFW-QGZVFWFLSA-N 2 2 340.471 4.093 20 0 EIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000647934641 1038723447 /nfs/dbraw/zinc/72/34/47/1038723447.db2.gz LEPHJQAPFKVLRX-CPUCHLNUSA-N 2 2 347.890 4.424 20 0 EIADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000647934641 1038723491 /nfs/dbraw/zinc/72/34/91/1038723491.db2.gz LEPHJQAPFKVLRX-CPUCHLNUSA-N 2 2 347.890 4.424 20 0 EIADLP CCOc1ccc([C@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc2)cc1 ZINC000539304416 1038971017 /nfs/dbraw/zinc/97/10/17/1038971017.db2.gz YSUMBUFWMSIDOK-JOCHJYFZSA-N 2 2 338.495 4.249 20 0 EIADLP C[N@H+](CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C1CCCCC1 ZINC000552040780 1039061657 /nfs/dbraw/zinc/06/16/57/1039061657.db2.gz XIKHMNHXINUWIO-LJQANCHMSA-N 2 2 332.536 4.275 20 0 EIADLP C[N@@H+](CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C1CCCCC1 ZINC000552040780 1039061672 /nfs/dbraw/zinc/06/16/72/1039061672.db2.gz XIKHMNHXINUWIO-LJQANCHMSA-N 2 2 332.536 4.275 20 0 EIADLP Clc1cc2c(s1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000089614483 1039076434 /nfs/dbraw/zinc/07/64/34/1039076434.db2.gz FNDKHSYTMZVNHG-OAHLLOKOSA-N 2 2 329.856 4.364 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071571 1039094016 /nfs/dbraw/zinc/09/40/16/1039094016.db2.gz PIUOXVGACWSHQS-NVXWUHKLSA-N 2 2 335.561 4.495 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071571 1039094041 /nfs/dbraw/zinc/09/40/41/1039094041.db2.gz PIUOXVGACWSHQS-NVXWUHKLSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071571 1039094063 /nfs/dbraw/zinc/09/40/63/1039094063.db2.gz PIUOXVGACWSHQS-NVXWUHKLSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071571 1039094087 /nfs/dbraw/zinc/09/40/87/1039094087.db2.gz PIUOXVGACWSHQS-NVXWUHKLSA-N 2 2 335.561 4.495 20 0 EIADLP C[NH2+]C[C@H](C)C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414834099 1039259412 /nfs/dbraw/zinc/25/94/12/1039259412.db2.gz GXCDHLLSESCTSV-JTQLQIEISA-N 2 2 344.311 4.062 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301017 1039267280 /nfs/dbraw/zinc/26/72/80/1039267280.db2.gz WXKVLGFYMPPQLL-CMPLNLGQSA-N 2 2 333.328 4.364 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301017 1039267320 /nfs/dbraw/zinc/26/73/20/1039267320.db2.gz WXKVLGFYMPPQLL-CMPLNLGQSA-N 2 2 333.328 4.364 20 0 EIADLP COc1ccsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509450672 1039410351 /nfs/dbraw/zinc/41/03/51/1039410351.db2.gz GQRIBKQVTCCJNO-LJQANCHMSA-N 2 2 344.524 4.147 20 0 EIADLP COc1ccsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509450672 1039410366 /nfs/dbraw/zinc/41/03/66/1039410366.db2.gz GQRIBKQVTCCJNO-LJQANCHMSA-N 2 2 344.524 4.147 20 0 EIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3csc(C(C)C)n3)C1)CCCC2 ZINC000434504670 1039547875 /nfs/dbraw/zinc/54/78/75/1039547875.db2.gz VOZCATCKYCATGY-INIZCTEOSA-N 2 2 344.528 4.097 20 0 EIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3csc(C(C)C)n3)C1)CCCC2 ZINC000434504670 1039547891 /nfs/dbraw/zinc/54/78/91/1039547891.db2.gz VOZCATCKYCATGY-INIZCTEOSA-N 2 2 344.528 4.097 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338345 1039614709 /nfs/dbraw/zinc/61/47/09/1039614709.db2.gz GSQXCDLQTAKUPO-CRAIPNDOSA-N 2 2 344.886 4.188 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338345 1039614734 /nfs/dbraw/zinc/61/47/34/1039614734.db2.gz GSQXCDLQTAKUPO-CRAIPNDOSA-N 2 2 344.886 4.188 20 0 EIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(C)ccc1OC ZINC000093400705 1039688492 /nfs/dbraw/zinc/68/84/92/1039688492.db2.gz NQCIZPYPBHIMCS-IBGZPJMESA-N 2 2 335.451 4.430 20 0 EIADLP Fc1cccc(Cl)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670909 1039802916 /nfs/dbraw/zinc/80/29/16/1039802916.db2.gz SEICSFGZKGDLBK-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162892499 1039932674 /nfs/dbraw/zinc/93/26/74/1039932674.db2.gz IOUXVLRJNRRKEN-IAGOWNOFSA-N 2 2 327.472 4.064 20 0 EIADLP Fc1ccccc1[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000482074513 1039983419 /nfs/dbraw/zinc/98/34/19/1039983419.db2.gz WHXVLYNKSMJYNE-FUHWJXTLSA-N 2 2 339.458 4.115 20 0 EIADLP C(=C/c1ccccc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482082847 1040003637 /nfs/dbraw/zinc/00/36/37/1040003637.db2.gz YWTUXGGQTBTSOY-JXMROGBWSA-N 2 2 330.541 4.041 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000482102992 1040019408 /nfs/dbraw/zinc/01/94/08/1040019408.db2.gz BUOTZWJGYPRERM-CVEARBPZSA-N 2 2 332.513 4.466 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000482102992 1040019418 /nfs/dbraw/zinc/01/94/18/1040019418.db2.gz BUOTZWJGYPRERM-CVEARBPZSA-N 2 2 332.513 4.466 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000482141077 1040031130 /nfs/dbraw/zinc/03/11/30/1040031130.db2.gz XYTJVGXHGXIBMX-PSGMQZRDSA-N 2 2 341.474 4.158 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1OC ZINC000482131280 1040039807 /nfs/dbraw/zinc/03/98/07/1040039807.db2.gz XHRWKYSCFUQIPQ-WBVHZDCISA-N 2 2 341.499 4.245 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000482362199 1040201562 /nfs/dbraw/zinc/20/15/62/1040201562.db2.gz VSZBVVZWTSTGKC-HUUCEWRRSA-N 2 2 339.321 4.220 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000482362199 1040201583 /nfs/dbraw/zinc/20/15/83/1040201583.db2.gz VSZBVVZWTSTGKC-HUUCEWRRSA-N 2 2 339.321 4.220 20 0 EIADLP Clc1cccc2c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511426 1040272207 /nfs/dbraw/zinc/27/22/07/1040272207.db2.gz WQTVOWMWQJPLQO-KDOFPFPSSA-N 2 2 341.886 4.341 20 0 EIADLP Clc1cccc2c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511426 1040272225 /nfs/dbraw/zinc/27/22/25/1040272225.db2.gz WQTVOWMWQJPLQO-KDOFPFPSSA-N 2 2 341.886 4.341 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667482258 1040336442 /nfs/dbraw/zinc/33/64/42/1040336442.db2.gz XNJZTWSQQMQIAG-UHFFFAOYSA-N 2 2 332.860 4.004 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667482258 1040336461 /nfs/dbraw/zinc/33/64/61/1040336461.db2.gz XNJZTWSQQMQIAG-UHFFFAOYSA-N 2 2 332.860 4.004 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515200551 1040549332 /nfs/dbraw/zinc/54/93/32/1040549332.db2.gz OFYHEOPGTRHLEZ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515200551 1040549358 /nfs/dbraw/zinc/54/93/58/1040549358.db2.gz OFYHEOPGTRHLEZ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000515200551 1040549374 /nfs/dbraw/zinc/54/93/74/1040549374.db2.gz OFYHEOPGTRHLEZ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000515200551 1040549393 /nfs/dbraw/zinc/54/93/93/1040549393.db2.gz OFYHEOPGTRHLEZ-BEFAXECRSA-N 2 2 343.540 4.245 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577610 1040576426 /nfs/dbraw/zinc/57/64/26/1040576426.db2.gz YCAYCTHPRNSKKP-DLBZAZTESA-N 2 2 337.389 4.170 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577610 1040576449 /nfs/dbraw/zinc/57/64/49/1040576449.db2.gz YCAYCTHPRNSKKP-DLBZAZTESA-N 2 2 337.389 4.170 20 0 EIADLP Cc1cccc2[nH]c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc21 ZINC000668165148 1040581968 /nfs/dbraw/zinc/58/19/68/1040581968.db2.gz NSESRMSDEOLAAQ-UHFFFAOYSA-N 2 2 336.483 4.365 20 0 EIADLP Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539660054 1040663789 /nfs/dbraw/zinc/66/37/89/1040663789.db2.gz SSRCGBNKODIHDR-YLJYHZDGSA-N 2 2 338.499 4.012 20 0 EIADLP c1cn(CCC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000479865840 1040752172 /nfs/dbraw/zinc/75/21/72/1040752172.db2.gz ZOVIVBPRFARLFP-JOCHJYFZSA-N 2 2 333.479 4.107 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483209516 1040768623 /nfs/dbraw/zinc/76/86/23/1040768623.db2.gz BVGDNQKOEJWQNO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483209516 1040768634 /nfs/dbraw/zinc/76/86/34/1040768634.db2.gz BVGDNQKOEJWQNO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668227009 1040784827 /nfs/dbraw/zinc/78/48/27/1040784827.db2.gz ZAGDUZIEWDCNRJ-HXUWFJFHSA-N 2 2 336.414 4.052 20 0 EIADLP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668227009 1040784851 /nfs/dbraw/zinc/78/48/51/1040784851.db2.gz ZAGDUZIEWDCNRJ-HXUWFJFHSA-N 2 2 336.414 4.052 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]CCC2CCCCC2)CCOCC1)c1ccccc1 ZINC000483302096 1040810033 /nfs/dbraw/zinc/81/00/33/1040810033.db2.gz HZKUPBGQCSHZSQ-LJQANCHMSA-N 2 2 344.543 4.446 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CCC2 ZINC000483441244 1040861579 /nfs/dbraw/zinc/86/15/79/1040861579.db2.gz PSNDQKHMVSMSOP-UXHICEINSA-N 2 2 325.500 4.234 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(Cl)c1 ZINC000462736992 1040881531 /nfs/dbraw/zinc/88/15/31/1040881531.db2.gz OJFBJHIKPAULKZ-HNNXBMFYSA-N 2 2 341.842 4.083 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)[N@H+](C)C1CC1 ZINC000462805140 1040969345 /nfs/dbraw/zinc/96/93/45/1040969345.db2.gz MJTAMGJJFYDZKO-JKSUJKDBSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)[N@@H+](C)C1CC1 ZINC000462805140 1040969364 /nfs/dbraw/zinc/96/93/64/1040969364.db2.gz MJTAMGJJFYDZKO-JKSUJKDBSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)C[NH+]1CCCC1 ZINC000462881680 1041064468 /nfs/dbraw/zinc/06/44/68/1041064468.db2.gz PWYMTDNYEOICEZ-GJZGRUSLSA-N 2 2 347.503 4.332 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000484306406 1041192152 /nfs/dbraw/zinc/19/21/52/1041192152.db2.gz WPXAPDOBMHOKAL-SVFBPWRDSA-N 2 2 331.548 4.488 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000484306406 1041192166 /nfs/dbraw/zinc/19/21/66/1041192166.db2.gz WPXAPDOBMHOKAL-SVFBPWRDSA-N 2 2 331.548 4.488 20 0 EIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000484305795 1041202038 /nfs/dbraw/zinc/20/20/38/1041202038.db2.gz IWULDKBNDLABMG-AWEZNQCLSA-N 2 2 335.398 4.144 20 0 EIADLP FC(F)(F)c1cc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)ccc1Cl ZINC000538322463 1041264415 /nfs/dbraw/zinc/26/44/15/1041264415.db2.gz VJYYWZLURUZIJI-HNNXBMFYSA-N 2 2 343.780 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1Br ZINC000484495123 1041303394 /nfs/dbraw/zinc/30/33/94/1041303394.db2.gz PYUNBOZGNLBGJP-YUTCNCBUSA-N 2 2 343.284 4.112 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000484623954 1041376170 /nfs/dbraw/zinc/37/61/70/1041376170.db2.gz VXNUDFSKSAJELP-TZIWHRDSSA-N 2 2 343.559 4.488 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000484623954 1041376177 /nfs/dbraw/zinc/37/61/77/1041376177.db2.gz VXNUDFSKSAJELP-TZIWHRDSSA-N 2 2 343.559 4.488 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480646367 1041452723 /nfs/dbraw/zinc/45/27/23/1041452723.db2.gz MOFIVEOAZFIMRO-UHFFFAOYSA-N 2 2 334.410 4.189 20 0 EIADLP Clc1cccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1Cl ZINC000463375207 1041540685 /nfs/dbraw/zinc/54/06/85/1041540685.db2.gz KXMTUMYOIJMEJG-UHFFFAOYSA-N 2 2 338.282 4.460 20 0 EIADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437107245 1041650783 /nfs/dbraw/zinc/65/07/83/1041650783.db2.gz ANNFELOGRFCNPW-CJNGLKHVSA-N 2 2 325.378 4.500 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000437586739 1041852828 /nfs/dbraw/zinc/85/28/28/1041852828.db2.gz DTHATODIMVYHMS-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000437586739 1041852830 /nfs/dbraw/zinc/85/28/30/1041852830.db2.gz DTHATODIMVYHMS-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC(C)[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000541539026 1041990136 /nfs/dbraw/zinc/99/01/36/1041990136.db2.gz VSRCCRVJSCUATQ-YJBOKZPZSA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000541539026 1041990143 /nfs/dbraw/zinc/99/01/43/1041990143.db2.gz VSRCCRVJSCUATQ-YJBOKZPZSA-N 2 2 342.449 4.390 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccc(F)cc2)cc1 ZINC000491330665 1042224238 /nfs/dbraw/zinc/22/42/38/1042224238.db2.gz VAEMNJIJYFZBRN-NRFANRHFSA-N 2 2 344.474 4.244 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccc(F)cc2)cc1 ZINC000491330665 1042224241 /nfs/dbraw/zinc/22/42/41/1042224241.db2.gz VAEMNJIJYFZBRN-NRFANRHFSA-N 2 2 344.474 4.244 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542311549 1042381512 /nfs/dbraw/zinc/38/15/12/1042381512.db2.gz OMRNVAANGTUAIR-QWHCGFSZSA-N 2 2 343.418 4.392 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000669932568 1042408856 /nfs/dbraw/zinc/40/88/56/1042408856.db2.gz WCEPDLPRMBGIEO-QFBILLFUSA-N 2 2 325.456 4.015 20 0 EIADLP Oc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000328260735 1042457680 /nfs/dbraw/zinc/45/76/80/1042457680.db2.gz VARRFAXTIIVRMZ-QGZVFWFLSA-N 2 2 344.886 4.047 20 0 EIADLP Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000328260735 1042457683 /nfs/dbraw/zinc/45/76/83/1042457683.db2.gz VARRFAXTIIVRMZ-QGZVFWFLSA-N 2 2 344.886 4.047 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000173314483 1042564373 /nfs/dbraw/zinc/56/43/73/1042564373.db2.gz IAMCGFOKYRKGTN-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)s2)cc1 ZINC000174861615 1042716288 /nfs/dbraw/zinc/71/62/88/1042716288.db2.gz CVOVNMFEYCKOOI-MRXNPFEDSA-N 2 2 343.540 4.317 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)s2)cc1 ZINC000174861615 1042716295 /nfs/dbraw/zinc/71/62/95/1042716295.db2.gz CVOVNMFEYCKOOI-MRXNPFEDSA-N 2 2 343.540 4.317 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959122 1042881942 /nfs/dbraw/zinc/88/19/42/1042881942.db2.gz UZEODCRMBCACGD-TZYHBYERSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959122 1042881943 /nfs/dbraw/zinc/88/19/43/1042881943.db2.gz UZEODCRMBCACGD-TZYHBYERSA-N 2 2 349.522 4.268 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cnc(Cl)s2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006729 1043005753 /nfs/dbraw/zinc/00/57/53/1043005753.db2.gz OOPZDUQOXPGUFB-KBPBESRZSA-N 2 2 349.931 4.328 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000494100015 1043013773 /nfs/dbraw/zinc/01/37/73/1043013773.db2.gz UZLDGHOJSLSMDK-RDTXWAMCSA-N 2 2 349.569 4.330 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000494100015 1043013777 /nfs/dbraw/zinc/01/37/77/1043013777.db2.gz UZLDGHOJSLSMDK-RDTXWAMCSA-N 2 2 349.569 4.330 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427882766 1043247719 /nfs/dbraw/zinc/24/77/19/1043247719.db2.gz BZAQNKCYIZCFFR-ONGXEEELSA-N 2 2 342.295 4.233 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000427895177 1043255422 /nfs/dbraw/zinc/25/54/22/1043255422.db2.gz SCEBPNHOORWUET-QUCCMNQESA-N 2 2 335.451 4.101 20 0 EIADLP FC(F)(F)c1ccc(CCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000674006813 1043284114 /nfs/dbraw/zinc/28/41/14/1043284114.db2.gz ZLRCCMBUZVLOGV-UHFFFAOYSA-N 2 2 337.389 4.241 20 0 EIADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000536165047 1043303510 /nfs/dbraw/zinc/30/35/10/1043303510.db2.gz YYHVMHFZGRXOIM-KRWDZBQOSA-N 2 2 348.288 4.093 20 0 EIADLP CCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242678 1043461415 /nfs/dbraw/zinc/46/14/15/1043461415.db2.gz WEBWELBOWQSTNO-APWZRJJASA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242678 1043461424 /nfs/dbraw/zinc/46/14/24/1043461424.db2.gz WEBWELBOWQSTNO-APWZRJJASA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242678 1043461434 /nfs/dbraw/zinc/46/14/34/1043461434.db2.gz WEBWELBOWQSTNO-APWZRJJASA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242678 1043461442 /nfs/dbraw/zinc/46/14/42/1043461442.db2.gz WEBWELBOWQSTNO-APWZRJJASA-N 2 2 341.499 4.030 20 0 EIADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000065981478 1043520529 /nfs/dbraw/zinc/52/05/29/1043520529.db2.gz AISUGBOYSIJQPU-ZDUSSCGKSA-N 2 2 340.389 4.395 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccccc1C1CC1)c1ccccc1 ZINC000674335756 1043608263 /nfs/dbraw/zinc/60/82/63/1043608263.db2.gz QITWQHXQOGKWNG-NRFANRHFSA-N 2 2 331.463 4.371 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000172036398 1043702277 /nfs/dbraw/zinc/70/22/77/1043702277.db2.gz NJVIZTDJQLSRLR-UHFFFAOYSA-N 2 2 342.458 4.358 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000543066452 1043723647 /nfs/dbraw/zinc/72/36/47/1043723647.db2.gz IIFBWJLEFWEQGF-RXVVDRJESA-N 2 2 342.531 4.068 20 0 EIADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000665295208 1043845525 /nfs/dbraw/zinc/84/55/25/1043845525.db2.gz AIOBCZDCCHEOFU-BXUZGUMPSA-N 2 2 335.904 4.038 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000766083112 1043962189 /nfs/dbraw/zinc/96/21/89/1043962189.db2.gz WMGVBTJPRKWSMO-UZKOGDIHSA-N 2 2 337.511 4.421 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000766083112 1043962201 /nfs/dbraw/zinc/96/22/01/1043962201.db2.gz WMGVBTJPRKWSMO-UZKOGDIHSA-N 2 2 337.511 4.421 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195925 1044019658 /nfs/dbraw/zinc/01/96/58/1044019658.db2.gz PSZPHERDNSLCQQ-DZGCQCFKSA-N 2 2 325.378 4.025 20 0 EIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000443191524 1044076791 /nfs/dbraw/zinc/07/67/91/1044076791.db2.gz GNEHNCDPBMYALT-SYNHAJSKSA-N 2 2 346.490 4.282 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000474052509 1044312095 /nfs/dbraw/zinc/31/20/95/1044312095.db2.gz NAYCGABLTIIPOH-INIZCTEOSA-N 2 2 347.453 4.278 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020853 1044404343 /nfs/dbraw/zinc/40/43/43/1044404343.db2.gz NXYIKSVZONJHTI-NZGUISNBSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020853 1044404356 /nfs/dbraw/zinc/40/43/56/1044404356.db2.gz NXYIKSVZONJHTI-NZGUISNBSA-N 2 2 336.479 4.151 20 0 EIADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494972269 1044554754 /nfs/dbraw/zinc/55/47/54/1044554754.db2.gz KKVDNMDKQMBIMI-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494972269 1044554771 /nfs/dbraw/zinc/55/47/71/1044554771.db2.gz KKVDNMDKQMBIMI-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494972269 1044554783 /nfs/dbraw/zinc/55/47/83/1044554783.db2.gz KKVDNMDKQMBIMI-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494972269 1044554803 /nfs/dbraw/zinc/55/48/03/1044554803.db2.gz KKVDNMDKQMBIMI-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919198 1044559971 /nfs/dbraw/zinc/55/99/71/1044559971.db2.gz LFMVUOOBOZMSMX-PXNSSMCTSA-N 2 2 349.478 4.453 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000675924248 1044567866 /nfs/dbraw/zinc/56/78/66/1044567866.db2.gz WUCBPMOAHXSPRL-VQTJNVASSA-N 2 2 335.426 4.120 20 0 EIADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390566844 1044884057 /nfs/dbraw/zinc/88/40/57/1044884057.db2.gz QHMAIEYMYWWJEE-LJQANCHMSA-N 2 2 326.509 4.163 20 0 EIADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390566844 1044884060 /nfs/dbraw/zinc/88/40/60/1044884060.db2.gz QHMAIEYMYWWJEE-LJQANCHMSA-N 2 2 326.509 4.163 20 0 EIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000474363473 1044885729 /nfs/dbraw/zinc/88/57/29/1044885729.db2.gz UZJOQDFFKNIUOY-UHFFFAOYSA-N 2 2 325.843 4.378 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000474479536 1045021270 /nfs/dbraw/zinc/02/12/70/1045021270.db2.gz XZYIKTVYMRJZHR-IAGOWNOFSA-N 2 2 335.451 4.163 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(C)o1 ZINC000495404413 1045063288 /nfs/dbraw/zinc/06/32/88/1045063288.db2.gz YWBWERKARIHTAT-AHRSYUTCSA-N 2 2 348.531 4.298 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(C)o1 ZINC000495404418 1045064021 /nfs/dbraw/zinc/06/40/21/1045064021.db2.gz YWBWERKARIHTAT-UXPWSPDFSA-N 2 2 348.531 4.298 20 0 EIADLP COC1(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000429428839 1045128375 /nfs/dbraw/zinc/12/83/75/1045128375.db2.gz JSTSQGIUZIRWFB-UYAOXDASSA-N 2 2 341.499 4.179 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236638614 1045362309 /nfs/dbraw/zinc/36/23/09/1045362309.db2.gz UGXBOPADNCUJHN-UHFFFAOYSA-N 2 2 346.849 4.294 20 0 EIADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237255708 1045379486 /nfs/dbraw/zinc/37/94/86/1045379486.db2.gz QHRGMGXVQSTRPP-RXVVDRJESA-N 2 2 338.495 4.053 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)Cn1cc[nH+]c1 ZINC000237580190 1045389199 /nfs/dbraw/zinc/38/91/99/1045389199.db2.gz JJFFSTKNWSLICL-CQSZACIVSA-N 2 2 329.444 4.177 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000769004811 1045874511 /nfs/dbraw/zinc/87/45/11/1045874511.db2.gz NOVIAUSSZGRMRN-ATKRNPRHSA-N 2 2 344.543 4.014 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000769004811 1045874515 /nfs/dbraw/zinc/87/45/15/1045874515.db2.gz NOVIAUSSZGRMRN-ATKRNPRHSA-N 2 2 344.543 4.014 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1csc(Cl)c1 ZINC000248696968 1045882221 /nfs/dbraw/zinc/88/22/21/1045882221.db2.gz LHOQCNUIDXFBKL-JKIFEVAISA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1csc(Cl)c1 ZINC000248696968 1045882223 /nfs/dbraw/zinc/88/22/23/1045882223.db2.gz LHOQCNUIDXFBKL-JKIFEVAISA-N 2 2 349.931 4.358 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769871456 1046098421 /nfs/dbraw/zinc/09/84/21/1046098421.db2.gz GVAZCNZNVJPXPN-ZBFHGGJFSA-N 2 2 347.528 4.170 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000769871456 1046098438 /nfs/dbraw/zinc/09/84/38/1046098438.db2.gz GVAZCNZNVJPXPN-ZBFHGGJFSA-N 2 2 347.528 4.170 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000769874931 1046103249 /nfs/dbraw/zinc/10/32/49/1046103249.db2.gz ZDBYBDCXDOQGEM-GJYPPUQNSA-N 2 2 341.499 4.249 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000769874931 1046103253 /nfs/dbraw/zinc/10/32/53/1046103253.db2.gz ZDBYBDCXDOQGEM-GJYPPUQNSA-N 2 2 341.499 4.249 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000162059240 1046118931 /nfs/dbraw/zinc/11/89/31/1046118931.db2.gz OIJARRVZJYUPQN-COPCDDAFSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000162059240 1046118936 /nfs/dbraw/zinc/11/89/36/1046118936.db2.gz OIJARRVZJYUPQN-COPCDDAFSA-N 2 2 338.495 4.017 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000747100094 1046133111 /nfs/dbraw/zinc/13/31/11/1046133111.db2.gz QQHSBELGAFPSAW-SJORKVTESA-N 2 2 335.451 4.163 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459449970 1046681330 /nfs/dbraw/zinc/68/13/30/1046681330.db2.gz NSDNZLYTTCSPCK-KRWDZBQOSA-N 2 2 335.495 4.274 20 0 EIADLP C[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000127577719 1046699183 /nfs/dbraw/zinc/69/91/83/1046699183.db2.gz YGTXHIAXEOYMQH-KRWDZBQOSA-N 2 2 337.442 4.006 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622202 1046716555 /nfs/dbraw/zinc/71/65/55/1046716555.db2.gz GEOHMLPKQHEPCZ-KXBFYZLASA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000379622202 1046716577 /nfs/dbraw/zinc/71/65/77/1046716577.db2.gz GEOHMLPKQHEPCZ-KXBFYZLASA-N 2 2 330.422 4.108 20 0 EIADLP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636734 1046725095 /nfs/dbraw/zinc/72/50/95/1046725095.db2.gz XTBZBTZYCLBUJQ-QFBILLFUSA-N 2 2 329.463 4.172 20 0 EIADLP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636734 1046725110 /nfs/dbraw/zinc/72/51/10/1046725110.db2.gz XTBZBTZYCLBUJQ-QFBILLFUSA-N 2 2 329.463 4.172 20 0 EIADLP c1csc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)c1 ZINC000536770447 1046765887 /nfs/dbraw/zinc/76/58/87/1046765887.db2.gz FNURRBXFZGGZNG-LJQANCHMSA-N 2 2 329.513 4.345 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CCC2 ZINC000537013256 1046894433 /nfs/dbraw/zinc/89/44/33/1046894433.db2.gz XBKBFDRFQBDJJN-AEFFLSMTSA-N 2 2 329.875 4.463 20 0 EIADLP c1cn(CC[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000537125840 1046954493 /nfs/dbraw/zinc/95/44/93/1046954493.db2.gz ISAMBIJMTYLBMJ-VXKWHMMOSA-N 2 2 331.463 4.334 20 0 EIADLP CC(C)CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170081369 1047099300 /nfs/dbraw/zinc/09/93/00/1047099300.db2.gz OBNSXUHGGHODKT-MSOLQXFVSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170081369 1047099316 /nfs/dbraw/zinc/09/93/16/1047099316.db2.gz OBNSXUHGGHODKT-MSOLQXFVSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170081369 1047099350 /nfs/dbraw/zinc/09/93/50/1047099350.db2.gz OBNSXUHGGHODKT-MSOLQXFVSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170081369 1047099332 /nfs/dbraw/zinc/09/93/32/1047099332.db2.gz OBNSXUHGGHODKT-MSOLQXFVSA-N 2 2 334.552 4.315 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480179 1047197268 /nfs/dbraw/zinc/19/72/68/1047197268.db2.gz JKCNLZACDWABQF-QGZVFWFLSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480179 1047197285 /nfs/dbraw/zinc/19/72/85/1047197285.db2.gz JKCNLZACDWABQF-QGZVFWFLSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480179 1047197257 /nfs/dbraw/zinc/19/72/57/1047197257.db2.gz JKCNLZACDWABQF-QGZVFWFLSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480179 1047197276 /nfs/dbraw/zinc/19/72/76/1047197276.db2.gz JKCNLZACDWABQF-QGZVFWFLSA-N 2 2 331.891 4.194 20 0 EIADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C)cc1 ZINC000537455975 1047245584 /nfs/dbraw/zinc/24/55/84/1047245584.db2.gz OFJXZNKTJGVSJK-UXHICEINSA-N 2 2 338.499 4.094 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000129254725 1047339441 /nfs/dbraw/zinc/33/94/41/1047339441.db2.gz HNSRNTDJLPNYQJ-DLBZAZTESA-N 2 2 337.389 4.142 20 0 EIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCC34CCCC4)[nH+]c2)CC1 ZINC000556151134 1047505334 /nfs/dbraw/zinc/50/53/34/1047505334.db2.gz UZHLEKRRIOVBDC-LJQANCHMSA-N 2 2 342.531 4.137 20 0 EIADLP C[N@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608680 1047758465 /nfs/dbraw/zinc/75/84/65/1047758465.db2.gz LGJMVKAZCANWIW-UNMCSNQZSA-N 3 2 343.559 4.066 20 0 EIADLP C[N@@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608680 1047758469 /nfs/dbraw/zinc/75/84/69/1047758469.db2.gz LGJMVKAZCANWIW-UNMCSNQZSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608680 1047758477 /nfs/dbraw/zinc/75/84/77/1047758477.db2.gz LGJMVKAZCANWIW-UNMCSNQZSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608680 1047758485 /nfs/dbraw/zinc/75/84/85/1047758485.db2.gz LGJMVKAZCANWIW-UNMCSNQZSA-N 3 2 343.559 4.066 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000814290346 1047937615 /nfs/dbraw/zinc/93/76/15/1047937615.db2.gz GSMKMXYGLVILEM-MJLBXUHQSA-N 2 2 341.499 4.137 20 0 EIADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000556869612 1048088578 /nfs/dbraw/zinc/08/85/78/1048088578.db2.gz ACQPMSSSEPCPPD-OAHLLOKOSA-N 2 2 333.426 4.163 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000132248103 1048237133 /nfs/dbraw/zinc/23/71/33/1048237133.db2.gz NXOFHVLVKZKFMZ-IBGZPJMESA-N 2 2 333.479 4.442 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000132250707 1048238146 /nfs/dbraw/zinc/23/81/46/1048238146.db2.gz LJTLYWXPQNEOHU-NRFANRHFSA-N 2 2 331.463 4.059 20 0 EIADLP Clc1ccc2c(c1)CC[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171116975 1048285921 /nfs/dbraw/zinc/28/59/21/1048285921.db2.gz ULXWEFWKTVMVBJ-SFHVURJKSA-N 2 2 342.870 4.136 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132691 1048391595 /nfs/dbraw/zinc/39/15/95/1048391595.db2.gz FWSBAXZXGNFVGJ-MOPGFXCFSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132691 1048391606 /nfs/dbraw/zinc/39/16/06/1048391606.db2.gz FWSBAXZXGNFVGJ-MOPGFXCFSA-N 2 2 342.870 4.054 20 0 EIADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558465 1048412917 /nfs/dbraw/zinc/41/29/17/1048412917.db2.gz OQJKBSVDMXULII-RTBURBONSA-N 2 2 343.540 4.363 20 0 EIADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558465 1048412924 /nfs/dbraw/zinc/41/29/24/1048412924.db2.gz OQJKBSVDMXULII-RTBURBONSA-N 2 2 343.540 4.363 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2cc(Cl)c(F)cc2F)C2CCCC2)CC1 ZINC001144137006 1048446987 /nfs/dbraw/zinc/44/69/87/1048446987.db2.gz FEAWFQMLKGEJII-UHFFFAOYSA-N 2 2 342.861 4.457 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2cc(Cl)c(F)cc2F)C2CCCC2)CC1 ZINC001144137006 1048446994 /nfs/dbraw/zinc/44/69/94/1048446994.db2.gz FEAWFQMLKGEJII-UHFFFAOYSA-N 2 2 342.861 4.457 20 0 EIADLP Clc1cccc2c1C[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)CC2 ZINC001170920275 1049231762 /nfs/dbraw/zinc/23/17/62/1049231762.db2.gz QLBCYVMVJNXDBZ-INIZCTEOSA-N 2 2 342.870 4.136 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000136392203 1049399413 /nfs/dbraw/zinc/39/94/13/1049399413.db2.gz JPWILMGRJLKFDQ-QGZVFWFLSA-N 2 2 335.904 4.025 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000136392203 1049399427 /nfs/dbraw/zinc/39/94/27/1049399427.db2.gz JPWILMGRJLKFDQ-QGZVFWFLSA-N 2 2 335.904 4.025 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3c(F)cc(F)cc3C2)c1 ZINC001171359355 1049508931 /nfs/dbraw/zinc/50/89/31/1049508931.db2.gz CQGBPQOWINHWHS-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccoc1 ZINC000820804867 1049551391 /nfs/dbraw/zinc/55/13/91/1049551391.db2.gz BEKXSQJKCQEJKX-GOSISDBHSA-N 2 2 329.831 4.093 20 0 EIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000773091366 1049577190 /nfs/dbraw/zinc/57/71/90/1049577190.db2.gz WNUUDVOHCYEGEB-JTSKRJEESA-N 2 2 335.495 4.193 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382524 1049580011 /nfs/dbraw/zinc/58/00/11/1049580011.db2.gz KJBFMHRIYXZFPF-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382524 1049580027 /nfs/dbraw/zinc/58/00/27/1049580027.db2.gz KJBFMHRIYXZFPF-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812826565 1049587451 /nfs/dbraw/zinc/58/74/51/1049587451.db2.gz QODIHJUIWXSXIJ-MSOLQXFVSA-N 2 2 329.532 4.137 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569948 1049746176 /nfs/dbraw/zinc/74/61/76/1049746176.db2.gz OSRABTSICUEUBM-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569948 1049746187 /nfs/dbraw/zinc/74/61/87/1049746187.db2.gz OSRABTSICUEUBM-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569948 1049746194 /nfs/dbraw/zinc/74/61/94/1049746194.db2.gz OSRABTSICUEUBM-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569948 1049746201 /nfs/dbraw/zinc/74/62/01/1049746201.db2.gz OSRABTSICUEUBM-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001171670754 1049773883 /nfs/dbraw/zinc/77/38/83/1049773883.db2.gz KCBJYMRAPIASFF-KRWDZBQOSA-N 2 2 349.453 4.482 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001171670754 1049773888 /nfs/dbraw/zinc/77/38/88/1049773888.db2.gz KCBJYMRAPIASFF-KRWDZBQOSA-N 2 2 349.453 4.482 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cnccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171966717 1049828023 /nfs/dbraw/zinc/82/80/23/1049828023.db2.gz WHCRFZBPFPZUPZ-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cnccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171966717 1049828025 /nfs/dbraw/zinc/82/80/25/1049828025.db2.gz WHCRFZBPFPZUPZ-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2noc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171975168 1049836692 /nfs/dbraw/zinc/83/66/92/1049836692.db2.gz LTJJBBYEWCANFM-SFHVURJKSA-N 2 2 349.478 4.361 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2noc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171975168 1049836693 /nfs/dbraw/zinc/83/66/93/1049836693.db2.gz LTJJBBYEWCANFM-SFHVURJKSA-N 2 2 349.478 4.361 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245721899 1049839289 /nfs/dbraw/zinc/83/92/89/1049839289.db2.gz OXINAHXRRJUCTJ-OWZKRDHZSA-N 2 2 342.433 4.250 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245721899 1049839294 /nfs/dbraw/zinc/83/92/94/1049839294.db2.gz OXINAHXRRJUCTJ-OWZKRDHZSA-N 2 2 342.433 4.250 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)cc1 ZINC000823943826 1049888578 /nfs/dbraw/zinc/88/85/78/1049888578.db2.gz NCQXOHRKWJDKMW-FQEVSTJZSA-N 2 2 327.516 4.034 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)c1 ZINC001172364761 1049896324 /nfs/dbraw/zinc/89/63/24/1049896324.db2.gz AQCKTGNSWJTPIN-MBOZVWFJSA-N 2 2 330.516 4.074 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCOc1cc[nH+]cc1 ZINC001172570512 1049938949 /nfs/dbraw/zinc/93/89/49/1049938949.db2.gz ISKNGLCDDJQYFQ-LBPRGKRZSA-N 2 2 340.801 4.003 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccnc2ccccc12 ZINC001204090622 1049942891 /nfs/dbraw/zinc/94/28/91/1049942891.db2.gz PBZYTOZLYUNLGL-UHFFFAOYSA-N 2 2 328.419 4.053 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccnc2ccccc12 ZINC001204090622 1049942892 /nfs/dbraw/zinc/94/28/92/1049942892.db2.gz PBZYTOZLYUNLGL-UHFFFAOYSA-N 2 2 328.419 4.053 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172577108 1049950779 /nfs/dbraw/zinc/95/07/79/1049950779.db2.gz QZEACEFKNJXBIL-STQMWFEESA-N 2 2 330.850 4.013 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172726899 1049967366 /nfs/dbraw/zinc/96/73/66/1049967366.db2.gz YLDGXINNYZJCID-HXUWFJFHSA-N 2 2 337.854 4.125 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172726899 1049967369 /nfs/dbraw/zinc/96/73/69/1049967369.db2.gz YLDGXINNYZJCID-HXUWFJFHSA-N 2 2 337.854 4.125 20 0 EIADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC3(CCCC3)CC1)C2 ZINC001172729607 1049969504 /nfs/dbraw/zinc/96/95/04/1049969504.db2.gz XVMJZMSUFCQPMG-UHFFFAOYSA-N 2 2 344.547 4.042 20 0 EIADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC3(CCCC3)CC1)C2 ZINC001172729607 1049969509 /nfs/dbraw/zinc/96/95/09/1049969509.db2.gz XVMJZMSUFCQPMG-UHFFFAOYSA-N 2 2 344.547 4.042 20 0 EIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729607 1049969512 /nfs/dbraw/zinc/96/95/12/1049969512.db2.gz XVMJZMSUFCQPMG-UHFFFAOYSA-N 2 2 344.547 4.042 20 0 EIADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729607 1049969517 /nfs/dbraw/zinc/96/95/17/1049969517.db2.gz XVMJZMSUFCQPMG-UHFFFAOYSA-N 2 2 344.547 4.042 20 0 EIADLP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246552905 1049987829 /nfs/dbraw/zinc/98/78/29/1049987829.db2.gz BBIRXSWGMDCHPA-NRVXSKMLSA-N 2 2 329.447 4.109 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC001177222031 1050168697 /nfs/dbraw/zinc/16/86/97/1050168697.db2.gz FPCNPIKRTRFVBK-RTWAWAEBSA-N 2 2 344.543 4.021 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172857925 1050195087 /nfs/dbraw/zinc/19/50/87/1050195087.db2.gz IPKDKJQVVHNKLB-CJNGLKHVSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172857925 1050195099 /nfs/dbraw/zinc/19/50/99/1050195099.db2.gz IPKDKJQVVHNKLB-CJNGLKHVSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172862263 1050198543 /nfs/dbraw/zinc/19/85/43/1050198543.db2.gz PYBQATQKTTZFST-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172860827 1050199287 /nfs/dbraw/zinc/19/92/87/1050199287.db2.gz HFAMJLSMZFANDI-CQSZACIVSA-N 2 2 343.833 4.386 20 0 EIADLP COc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000091318758 1050253160 /nfs/dbraw/zinc/25/31/60/1050253160.db2.gz LOERWOIRHXPONI-HXUWFJFHSA-N 2 2 325.456 4.023 20 0 EIADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173045441 1050271890 /nfs/dbraw/zinc/27/18/90/1050271890.db2.gz HQZDHIZQIJBRTO-UHFFFAOYSA-N 2 2 346.559 4.066 20 0 EIADLP C(C1CC1)[N@H+]1CCCC12CC[NH+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173045441 1050271905 /nfs/dbraw/zinc/27/19/05/1050271905.db2.gz HQZDHIZQIJBRTO-UHFFFAOYSA-N 2 2 346.559 4.066 20 0 EIADLP CC(C)C1CCC(C[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001177923912 1050329173 /nfs/dbraw/zinc/32/91/73/1050329173.db2.gz DLVKFJYZHWLELT-UHFFFAOYSA-N 2 2 328.544 4.138 20 0 EIADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001173261095 1050387833 /nfs/dbraw/zinc/38/78/33/1050387833.db2.gz OKLIQQHSKPGULU-SVFBPWRDSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001173261095 1050387841 /nfs/dbraw/zinc/38/78/41/1050387841.db2.gz OKLIQQHSKPGULU-SVFBPWRDSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001173261095 1050387854 /nfs/dbraw/zinc/38/78/54/1050387854.db2.gz OKLIQQHSKPGULU-SVFBPWRDSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001173261095 1050387868 /nfs/dbraw/zinc/38/78/68/1050387868.db2.gz OKLIQQHSKPGULU-SVFBPWRDSA-N 2 2 329.532 4.050 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644794 1050648214 /nfs/dbraw/zinc/64/82/14/1050648214.db2.gz VBJPEIZXLYLVNT-WCQYABFASA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644794 1050648221 /nfs/dbraw/zinc/64/82/21/1050648221.db2.gz VBJPEIZXLYLVNT-WCQYABFASA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644794 1050648231 /nfs/dbraw/zinc/64/82/31/1050648231.db2.gz VBJPEIZXLYLVNT-WCQYABFASA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644794 1050648235 /nfs/dbraw/zinc/64/82/35/1050648235.db2.gz VBJPEIZXLYLVNT-WCQYABFASA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H](C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000620757761 1051275490 /nfs/dbraw/zinc/27/54/90/1051275490.db2.gz CAQXBUQSAGVEDR-JTQLQIEISA-N 2 2 332.662 4.269 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(C)(C)C)cc1 ZINC000156775692 1051562398 /nfs/dbraw/zinc/56/23/98/1051562398.db2.gz BUZLOOKCJJSRPY-MRXNPFEDSA-N 2 2 341.499 4.290 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2c(C)cccc2Cl)[nH+]1 ZINC001192043575 1051619751 /nfs/dbraw/zinc/61/97/51/1051619751.db2.gz UPWYXQXZTNKGKJ-INIZCTEOSA-N 2 2 329.875 4.428 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c(C)cccc2Cl)[nH+]1 ZINC001192043575 1051619759 /nfs/dbraw/zinc/61/97/59/1051619759.db2.gz UPWYXQXZTNKGKJ-INIZCTEOSA-N 2 2 329.875 4.428 20 0 EIADLP c1cn(Cc2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001175505900 1051636107 /nfs/dbraw/zinc/63/61/07/1051636107.db2.gz KEURCHJFOKOJKB-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP c1cn(Cc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001175505900 1051636116 /nfs/dbraw/zinc/63/61/16/1051636116.db2.gz KEURCHJFOKOJKB-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000078420892 1051637244 /nfs/dbraw/zinc/63/72/44/1051637244.db2.gz OLEXLOBKEICFEC-HXUWFJFHSA-N 2 2 345.450 4.236 20 0 EIADLP C1CCC([NH+]2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)CC1 ZINC000157511664 1051645823 /nfs/dbraw/zinc/64/58/23/1051645823.db2.gz JDUQHBNZMQCBCU-UHFFFAOYSA-N 3 2 347.591 4.170 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182635218 1051654288 /nfs/dbraw/zinc/65/42/88/1051654288.db2.gz YDSQERPQEUHVMW-WDSOQIARSA-N 2 2 332.557 4.336 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182635218 1051654300 /nfs/dbraw/zinc/65/43/00/1051654300.db2.gz YDSQERPQEUHVMW-WDSOQIARSA-N 2 2 332.557 4.336 20 0 EIADLP CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001192379523 1051708682 /nfs/dbraw/zinc/70/86/82/1051708682.db2.gz GCOSYJRCNAJQIZ-UHFFFAOYSA-N 2 2 347.462 4.219 20 0 EIADLP CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001192379523 1051708696 /nfs/dbraw/zinc/70/86/96/1051708696.db2.gz GCOSYJRCNAJQIZ-UHFFFAOYSA-N 2 2 347.462 4.219 20 0 EIADLP CC(C)(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCCC1 ZINC000165959387 1052081840 /nfs/dbraw/zinc/08/18/40/1052081840.db2.gz LGSRSOMKSOZRIB-UYAOXDASSA-N 2 2 330.516 4.008 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC001176990890 1052214063 /nfs/dbraw/zinc/21/40/63/1052214063.db2.gz NYINXNCXXLGGJK-QGZVFWFLSA-N 2 2 329.463 4.199 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC001176990890 1052214071 /nfs/dbraw/zinc/21/40/71/1052214071.db2.gz NYINXNCXXLGGJK-QGZVFWFLSA-N 2 2 329.463 4.199 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965322 1052578406 /nfs/dbraw/zinc/57/84/06/1052578406.db2.gz XZLJNCQXCPFXQI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965322 1052578414 /nfs/dbraw/zinc/57/84/14/1052578414.db2.gz XZLJNCQXCPFXQI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965322 1052578422 /nfs/dbraw/zinc/57/84/22/1052578422.db2.gz XZLJNCQXCPFXQI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965322 1052578429 /nfs/dbraw/zinc/57/84/29/1052578429.db2.gz XZLJNCQXCPFXQI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C(C)(C)C ZINC000670267812 1052629331 /nfs/dbraw/zinc/62/93/31/1052629331.db2.gz UVQGTZSPBFRHPC-ZWKOTPCHSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409811 1052648963 /nfs/dbraw/zinc/64/89/63/1052648963.db2.gz PORTUTNPHCYCOM-ZBFHGGJFSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409811 1052648968 /nfs/dbraw/zinc/64/89/68/1052648968.db2.gz PORTUTNPHCYCOM-ZBFHGGJFSA-N 2 2 329.513 4.334 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508657 1052666700 /nfs/dbraw/zinc/66/67/00/1052666700.db2.gz CVVUHHJWCBABJW-HOCLYGCPSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623508657 1052666701 /nfs/dbraw/zinc/66/67/01/1052666701.db2.gz CVVUHHJWCBABJW-HOCLYGCPSA-N 2 2 328.422 4.451 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000177934913 1052694873 /nfs/dbraw/zinc/69/48/73/1052694873.db2.gz VPRLQSVOZQETBP-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177936960 1052696166 /nfs/dbraw/zinc/69/61/66/1052696166.db2.gz QIUHPKWNAJDMRD-HNNXBMFYSA-N 2 2 325.481 4.406 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623729302 1052731828 /nfs/dbraw/zinc/73/18/28/1052731828.db2.gz XRCRTGUVACXNQV-IBGZPJMESA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623729302 1052731833 /nfs/dbraw/zinc/73/18/33/1052731833.db2.gz XRCRTGUVACXNQV-IBGZPJMESA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179991176 1052771409 /nfs/dbraw/zinc/77/14/09/1052771409.db2.gz VLHISPGHCLDSFO-KRWDZBQOSA-N 2 2 334.467 4.415 20 0 EIADLP C[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(C)C ZINC000623950499 1052841278 /nfs/dbraw/zinc/84/12/78/1052841278.db2.gz DTOZRGOCZMYQFQ-SFHVURJKSA-N 2 2 338.499 4.171 20 0 EIADLP C[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(C)C ZINC000623950499 1052841279 /nfs/dbraw/zinc/84/12/79/1052841279.db2.gz DTOZRGOCZMYQFQ-SFHVURJKSA-N 2 2 338.499 4.171 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623956751 1052842103 /nfs/dbraw/zinc/84/21/03/1052842103.db2.gz OYYXIACJYZIZLE-RYQLBKOJSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623956751 1052842106 /nfs/dbraw/zinc/84/21/06/1052842106.db2.gz OYYXIACJYZIZLE-RYQLBKOJSA-N 2 2 341.524 4.021 20 0 EIADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000624014865 1052853774 /nfs/dbraw/zinc/85/37/74/1052853774.db2.gz ITBFCWXUYRVOGN-XGHQBKJUSA-N 2 2 330.516 4.104 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120534 1052867424 /nfs/dbraw/zinc/86/74/24/1052867424.db2.gz BIZZSDGIBUNVTL-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120534 1052867426 /nfs/dbraw/zinc/86/74/26/1052867426.db2.gz BIZZSDGIBUNVTL-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OC(F)F ZINC000325113002 1052943528 /nfs/dbraw/zinc/94/35/28/1052943528.db2.gz IJDMBLFIRBVACO-CJNGLKHVSA-N 2 2 337.414 4.250 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381335259 1053070036 /nfs/dbraw/zinc/07/00/36/1053070036.db2.gz JCCCQXMRRAPAKY-GDBMZVCRSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381335259 1053070046 /nfs/dbraw/zinc/07/00/46/1053070046.db2.gz JCCCQXMRRAPAKY-GDBMZVCRSA-N 2 2 348.412 4.104 20 0 EIADLP c1cn(-c2cccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)c2)c[nH+]1 ZINC000339067967 1053241695 /nfs/dbraw/zinc/24/16/95/1053241695.db2.gz IPKRJIQNBAHBPN-SIKLNZKXSA-N 2 2 347.462 4.130 20 0 EIADLP CCC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000765249369 1053476880 /nfs/dbraw/zinc/47/68/80/1053476880.db2.gz HMLJFELELCZIRT-RTBURBONSA-N 2 2 329.488 4.437 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(SC(F)F)cc1 ZINC000765261659 1053480907 /nfs/dbraw/zinc/48/09/07/1053480907.db2.gz UTEQNMZCUBBBCS-CYBMUJFWSA-N 2 2 325.428 4.329 20 0 EIADLP CSc1ccccc1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000866360627 1053704024 /nfs/dbraw/zinc/70/40/24/1053704024.db2.gz FRSUSGHOUSQPCY-IERDGZPVSA-N 2 2 349.503 4.368 20 0 EIADLP Fc1ccc(C([NH2+]CCC[NH+]2CCCC2)c2ccc(F)cc2)cc1 ZINC000543702269 1053729827 /nfs/dbraw/zinc/72/98/27/1053729827.db2.gz NVPMHVZDBARTNV-UHFFFAOYSA-N 2 2 330.422 4.130 20 0 EIADLP [NH3+]CC[C@@H]1CN(c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)c2ccccc21 ZINC001168547548 1053782023 /nfs/dbraw/zinc/78/20/23/1053782023.db2.gz FLRRYFOOKCMSDN-CYBMUJFWSA-N 2 2 347.384 4.260 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC(F)F)cc1 ZINC001199110165 1054349545 /nfs/dbraw/zinc/34/95/45/1054349545.db2.gz KSEDKRPPBHEXDJ-GFCCVEGCSA-N 2 2 349.406 4.386 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000872041539 1054355610 /nfs/dbraw/zinc/35/56/10/1054355610.db2.gz UBUMWQJWHKFPCO-KVSKMBFKSA-N 2 2 327.472 4.117 20 0 EIADLP C[C@@H]1CCCC[C@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001199472014 1054412125 /nfs/dbraw/zinc/41/21/25/1054412125.db2.gz FPYXOEBQDBROMW-MSOLQXFVSA-N 2 2 329.532 4.455 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858104757 1054418060 /nfs/dbraw/zinc/41/80/60/1054418060.db2.gz WDLFWKCIIVRPEM-GFCCVEGCSA-N 2 2 331.407 4.168 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)s1 ZINC000858296091 1054455935 /nfs/dbraw/zinc/45/59/35/1054455935.db2.gz OJMHYJBYBZZIOS-INIZCTEOSA-N 2 2 335.904 4.025 20 0 EIADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001199865507 1054489439 /nfs/dbraw/zinc/48/94/39/1054489439.db2.gz QHRRFLKZGKFASE-SFHVURJKSA-N 2 2 344.449 4.275 20 0 EIADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001199865507 1054489444 /nfs/dbraw/zinc/48/94/44/1054489444.db2.gz QHRRFLKZGKFASE-SFHVURJKSA-N 2 2 344.449 4.275 20 0 EIADLP CSc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001200880370 1054564900 /nfs/dbraw/zinc/56/49/00/1054564900.db2.gz SIMJNHSDFTZRMG-RDJZCZTQSA-N 2 2 330.497 4.144 20 0 EIADLP CSc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001200880370 1054564920 /nfs/dbraw/zinc/56/49/20/1054564920.db2.gz SIMJNHSDFTZRMG-RDJZCZTQSA-N 2 2 330.497 4.144 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001200879041 1054566493 /nfs/dbraw/zinc/56/64/93/1054566493.db2.gz DKRFVAHQJRSPPM-GHTZIAJQSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001200879041 1054566511 /nfs/dbraw/zinc/56/65/11/1054566511.db2.gz DKRFVAHQJRSPPM-GHTZIAJQSA-N 2 2 349.522 4.103 20 0 EIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000125143886 1054721401 /nfs/dbraw/zinc/72/14/01/1054721401.db2.gz FIKSSENEACRKHU-UHFFFAOYSA-N 2 2 332.460 4.090 20 0 EIADLP CSc1cc(C)ccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001201408624 1054779349 /nfs/dbraw/zinc/77/93/49/1054779349.db2.gz WUSCLATVSARPII-UHFFFAOYSA-N 2 2 329.494 4.254 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488188 1054816640 /nfs/dbraw/zinc/81/66/40/1054816640.db2.gz WZAFSCMEDCIIJN-GBESFXJTSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488188 1054816644 /nfs/dbraw/zinc/81/66/44/1054816644.db2.gz WZAFSCMEDCIIJN-GBESFXJTSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201488188 1054816646 /nfs/dbraw/zinc/81/66/46/1054816646.db2.gz WZAFSCMEDCIIJN-GBESFXJTSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201488188 1054816648 /nfs/dbraw/zinc/81/66/48/1054816648.db2.gz WZAFSCMEDCIIJN-GBESFXJTSA-N 2 2 347.572 4.422 20 0 EIADLP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201541169 1054834575 /nfs/dbraw/zinc/83/45/75/1054834575.db2.gz DETXTHLILLNKJP-MRXNPFEDSA-N 2 2 335.561 4.318 20 0 EIADLP CCC[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201541169 1054834583 /nfs/dbraw/zinc/83/45/83/1054834583.db2.gz DETXTHLILLNKJP-MRXNPFEDSA-N 2 2 335.561 4.318 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001201566869 1054852085 /nfs/dbraw/zinc/85/20/85/1054852085.db2.gz PBWXYWVLZGIRRX-AWEZNQCLSA-N 2 2 347.865 4.189 20 0 EIADLP CCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201747348 1054895135 /nfs/dbraw/zinc/89/51/35/1054895135.db2.gz YZHXTBHPIQRWBU-UHFFFAOYSA-N 2 2 335.561 4.462 20 0 EIADLP CCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201747348 1054895142 /nfs/dbraw/zinc/89/51/42/1054895142.db2.gz YZHXTBHPIQRWBU-UHFFFAOYSA-N 2 2 335.561 4.462 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000118953116 1055071017 /nfs/dbraw/zinc/07/10/17/1055071017.db2.gz LFGAACKPABYCPH-UHFFFAOYSA-N 2 2 349.522 4.257 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc21 ZINC000877628609 1055096600 /nfs/dbraw/zinc/09/66/00/1055096600.db2.gz IPGJYTPMMVCELM-KEIZBESESA-N 2 2 348.490 4.123 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc21 ZINC000877628609 1055096613 /nfs/dbraw/zinc/09/66/13/1055096613.db2.gz IPGJYTPMMVCELM-KEIZBESESA-N 2 2 348.490 4.123 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000877628608 1055097672 /nfs/dbraw/zinc/09/76/72/1055097672.db2.gz IPGJYTPMMVCELM-FJTGNWTPSA-N 2 2 348.490 4.123 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000877628608 1055097682 /nfs/dbraw/zinc/09/76/82/1055097682.db2.gz IPGJYTPMMVCELM-FJTGNWTPSA-N 2 2 348.490 4.123 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CC3)CC2)cc1 ZINC000127233053 1055355203 /nfs/dbraw/zinc/35/52/03/1055355203.db2.gz ZWKQAWILGJMSLD-UHFFFAOYSA-N 2 2 349.522 4.043 20 0 EIADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347647409 1055779312 /nfs/dbraw/zinc/77/93/12/1055779312.db2.gz YBMXJCYMHQBUCH-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347647409 1055779330 /nfs/dbraw/zinc/77/93/30/1055779330.db2.gz YBMXJCYMHQBUCH-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000765859275 1056015498 /nfs/dbraw/zinc/01/54/98/1056015498.db2.gz JVRQRRCJWJKUMD-JOCHJYFZSA-N 2 2 337.511 4.252 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798993 1056581456 /nfs/dbraw/zinc/58/14/56/1056581456.db2.gz LCAMTELGCSECEP-CVEARBPZSA-N 2 2 333.435 4.047 20 0 EIADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000180072791 1058344372 /nfs/dbraw/zinc/34/43/72/1058344372.db2.gz KWEMRMGXQSVATM-INIZCTEOSA-N 2 2 348.494 4.298 20 0 EIADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305254 1059365255 /nfs/dbraw/zinc/36/52/55/1059365255.db2.gz RQGPJHZZAXTJCY-JXFKEZNVSA-N 2 2 337.442 4.064 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832742 1060149924 /nfs/dbraw/zinc/14/99/24/1060149924.db2.gz YDHIIFIBSJEWRY-KXBFYZLASA-N 2 2 343.540 4.323 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832742 1060149937 /nfs/dbraw/zinc/14/99/37/1060149937.db2.gz YDHIIFIBSJEWRY-KXBFYZLASA-N 2 2 343.540 4.323 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169093103 1060631888 /nfs/dbraw/zinc/63/18/88/1060631888.db2.gz FPOIYKSRRCLHPH-BTTYYORXSA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169093103 1060631902 /nfs/dbraw/zinc/63/19/02/1060631902.db2.gz FPOIYKSRRCLHPH-BTTYYORXSA-N 2 2 332.797 4.074 20 0 EIADLP CC(C)C[C@H](Cc1ccccc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001169083786 1060642208 /nfs/dbraw/zinc/64/22/08/1060642208.db2.gz GFEPURBPKMRMNU-OAQYLSRUSA-N 2 2 337.511 4.297 20 0 EIADLP CCCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC001169112629 1060658894 /nfs/dbraw/zinc/65/88/94/1060658894.db2.gz PHSODLIBYBWBTL-JOCHJYFZSA-N 2 2 343.559 4.147 20 0 EIADLP Cn1c[nH+]cc1-c1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151253 1060668948 /nfs/dbraw/zinc/66/89/48/1060668948.db2.gz HQFVMHUUVJOHIM-XLIONFOSSA-N 2 2 326.488 4.043 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC001169247072 1060717004 /nfs/dbraw/zinc/71/70/04/1060717004.db2.gz YJPFSLWVDFJEEE-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC001169247072 1060717020 /nfs/dbraw/zinc/71/70/20/1060717020.db2.gz YJPFSLWVDFJEEE-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000532213014 1032096256 /nfs/dbraw/zinc/09/62/56/1032096256.db2.gz OQEBTUWUFFMZBU-HKUYNNGSSA-N 2 2 345.462 4.127 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC(F)F)cc1 ZINC000360079885 1032238444 /nfs/dbraw/zinc/23/84/44/1032238444.db2.gz REMGGVABYDRSSW-RDJZCZTQSA-N 2 2 349.425 4.411 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000360079646 1032239504 /nfs/dbraw/zinc/23/95/04/1032239504.db2.gz PFHGFWACEFHVPI-UONOGXRCSA-N 2 2 333.863 4.082 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529565054 1032458395 /nfs/dbraw/zinc/45/83/95/1032458395.db2.gz DBTZLGYNZXFUNZ-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529565054 1032458401 /nfs/dbraw/zinc/45/84/01/1032458401.db2.gz DBTZLGYNZXFUNZ-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177933540 1032514110 /nfs/dbraw/zinc/51/41/10/1032514110.db2.gz SGNSXAMFTLFWHM-OAQYLSRUSA-N 2 2 347.462 4.243 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000179136962 1032556095 /nfs/dbraw/zinc/55/60/95/1032556095.db2.gz PTEXXNAEMZYDOW-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000179136962 1032556101 /nfs/dbraw/zinc/55/61/01/1032556101.db2.gz PTEXXNAEMZYDOW-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP c1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000180414999 1032587366 /nfs/dbraw/zinc/58/73/66/1032587366.db2.gz MMYCHPHDJWZLFK-NRFANRHFSA-N 2 2 332.451 4.048 20 0 EIADLP CC[NH+](CC)Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124886040 1032729551 /nfs/dbraw/zinc/72/95/51/1032729551.db2.gz BWYKUPQVOOZOLF-UHFFFAOYSA-N 2 2 334.467 4.326 20 0 EIADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)c1F ZINC001143373936 1019123791 /nfs/dbraw/zinc/12/37/91/1019123791.db2.gz FRLXXQLYLJKSMC-HDICACEKSA-N 2 2 344.499 4.068 20 0 EIADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)c1F ZINC001143373936 1019123802 /nfs/dbraw/zinc/12/38/02/1019123802.db2.gz FRLXXQLYLJKSMC-HDICACEKSA-N 2 2 344.499 4.068 20 0 EIADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc(C)c1F ZINC001143373936 1019123813 /nfs/dbraw/zinc/12/38/13/1019123813.db2.gz FRLXXQLYLJKSMC-HDICACEKSA-N 2 2 344.499 4.068 20 0 EIADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc(C)c1F ZINC001143373936 1019123826 /nfs/dbraw/zinc/12/38/26/1019123826.db2.gz FRLXXQLYLJKSMC-HDICACEKSA-N 2 2 344.499 4.068 20 0 EIADLP C[C@H](C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891257 1019798656 /nfs/dbraw/zinc/79/86/56/1019798656.db2.gz JCCABBJVUOSMIG-REEYDVFISA-N 2 2 342.449 4.080 20 0 EIADLP C[C@H](C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891257 1019798673 /nfs/dbraw/zinc/79/86/73/1019798673.db2.gz JCCABBJVUOSMIG-REEYDVFISA-N 2 2 342.449 4.080 20 0 EIADLP C[C@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891257 1019798687 /nfs/dbraw/zinc/79/86/87/1019798687.db2.gz JCCABBJVUOSMIG-REEYDVFISA-N 2 2 342.449 4.080 20 0 EIADLP C[C@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891257 1019798703 /nfs/dbraw/zinc/79/87/03/1019798703.db2.gz JCCABBJVUOSMIG-REEYDVFISA-N 2 2 342.449 4.080 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000274873667 1019822266 /nfs/dbraw/zinc/82/22/66/1019822266.db2.gz GGVVSUGTWYCDJD-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895911 1019841107 /nfs/dbraw/zinc/84/11/07/1019841107.db2.gz KEXFROIPLNLWLA-WDSOQIARSA-N 2 2 343.540 4.403 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895911 1019841109 /nfs/dbraw/zinc/84/11/09/1019841109.db2.gz KEXFROIPLNLWLA-WDSOQIARSA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)[C@H](C)C2 ZINC000180092555 1020048930 /nfs/dbraw/zinc/04/89/30/1020048930.db2.gz LKJCOHUQSVTESK-VGOFRKELSA-N 2 2 331.463 4.263 20 0 EIADLP c1cn(C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)c[nH+]1 ZINC000109795193 1020422547 /nfs/dbraw/zinc/42/25/47/1020422547.db2.gz ZCNLLFXYVNBTAC-UHFFFAOYSA-N 2 2 335.451 4.142 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247225842 1020877116 /nfs/dbraw/zinc/87/71/16/1020877116.db2.gz WRKKNFRCPWQFCJ-DQLDELGASA-N 2 2 333.435 4.053 20 0 EIADLP CC(C)(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655693912 1020901058 /nfs/dbraw/zinc/90/10/58/1020901058.db2.gz ARCIPTCGQCHSPN-UXHICEINSA-N 2 2 348.506 4.146 20 0 EIADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000655700631 1020904597 /nfs/dbraw/zinc/90/45/97/1020904597.db2.gz KEENZHBEQPRGNC-FCHUYYIVSA-N 2 2 342.527 4.151 20 0 EIADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655708735 1020907087 /nfs/dbraw/zinc/90/70/87/1020907087.db2.gz NJNWMHHSUJBTEZ-APWZRJJASA-N 2 2 348.556 4.091 20 0 EIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655717170 1020914050 /nfs/dbraw/zinc/91/40/50/1020914050.db2.gz WHITVXYGMZXRLE-UXHICEINSA-N 2 2 348.918 4.024 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@@H](C)SC2)c(C)c1 ZINC000655735425 1020923331 /nfs/dbraw/zinc/92/33/31/1020923331.db2.gz VHGYFOCLQACWHC-AOIWGVFYSA-N 2 2 329.513 4.115 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655733389 1020924996 /nfs/dbraw/zinc/92/49/96/1020924996.db2.gz MUAOALSDJVDJFW-MOPGFXCFSA-N 2 2 336.907 4.024 20 0 EIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655736000 1020927362 /nfs/dbraw/zinc/92/73/62/1020927362.db2.gz CEKLYMMGPXFFGT-RBBKRZOGSA-N 2 2 342.527 4.030 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000655848635 1021011703 /nfs/dbraw/zinc/01/17/03/1021011703.db2.gz JGGTYVIMANVAMM-UAGQMJEPSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000655848635 1021011709 /nfs/dbraw/zinc/01/17/09/1021011709.db2.gz JGGTYVIMANVAMM-UAGQMJEPSA-N 2 2 334.529 4.085 20 0 EIADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]ccc2cc(F)ccc21 ZINC000580067501 1021592914 /nfs/dbraw/zinc/59/29/14/1021592914.db2.gz UFUIFVVXSLWYKI-UHFFFAOYSA-N 2 2 326.419 4.049 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000685834250 1021648692 /nfs/dbraw/zinc/64/86/92/1021648692.db2.gz AYBZTFTUUDPHBD-SYCZXOQXSA-N 2 2 347.409 4.294 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000685834250 1021648699 /nfs/dbraw/zinc/64/86/99/1021648699.db2.gz AYBZTFTUUDPHBD-SYCZXOQXSA-N 2 2 347.409 4.294 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139186 1021677104 /nfs/dbraw/zinc/67/71/04/1021677104.db2.gz MSFCCOJIGXUQFL-YZVOILCLSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139186 1021677133 /nfs/dbraw/zinc/67/71/33/1021677133.db2.gz MSFCCOJIGXUQFL-YZVOILCLSA-N 2 2 343.540 4.321 20 0 EIADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000177805106 1021711996 /nfs/dbraw/zinc/71/19/96/1021711996.db2.gz AMQAHQBZSUTUIL-ZDUSSCGKSA-N 2 2 326.469 4.050 20 0 EIADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000414057101 1021747504 /nfs/dbraw/zinc/74/75/04/1021747504.db2.gz FFDQSDKAOSYBFG-MOPGFXCFSA-N 2 2 341.499 4.003 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000414061126 1021761021 /nfs/dbraw/zinc/76/10/21/1021761021.db2.gz KCUCCBBRRJHNQO-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000414073542 1021806911 /nfs/dbraw/zinc/80/69/11/1021806911.db2.gz VZBZUNLGTVXPMS-OALUTQOASA-N 2 2 341.499 4.003 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000580258779 1021807150 /nfs/dbraw/zinc/80/71/50/1021807150.db2.gz JIWFTUOZXFJJFR-KNQAVFIVSA-N 2 2 331.463 4.357 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379633444 1021845742 /nfs/dbraw/zinc/84/57/42/1021845742.db2.gz UMIMIUMMIIVYDH-QRWLVFNGSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379633444 1021845743 /nfs/dbraw/zinc/84/57/43/1021845743.db2.gz UMIMIUMMIIVYDH-QRWLVFNGSA-N 2 2 330.422 4.108 20 0 EIADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1(C)C ZINC000414136063 1021909333 /nfs/dbraw/zinc/90/93/33/1021909333.db2.gz HPOXVHHLTMMVDZ-FJBKBRRZSA-N 2 2 332.454 4.206 20 0 EIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3(CCCCC3)Oc3ccccc31)C2 ZINC000377802695 1022014632 /nfs/dbraw/zinc/01/46/32/1022014632.db2.gz MQQSYBOHROFSSK-KXBFYZLASA-N 2 2 337.467 4.083 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414171543 1022016714 /nfs/dbraw/zinc/01/67/14/1022016714.db2.gz XJAIWFDCLAPWNX-DJIMGWMZSA-N 2 2 329.875 4.236 20 0 EIADLP Cc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)o1 ZINC000345069145 1033022758 /nfs/dbraw/zinc/02/27/58/1033022758.db2.gz QYGSPASZWAGDLD-FQEVSTJZSA-N 2 2 325.456 4.083 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021225 1022359471 /nfs/dbraw/zinc/35/94/71/1022359471.db2.gz SRGZDTNRDXDHTN-QZTJIDSGSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021225 1022359485 /nfs/dbraw/zinc/35/94/85/1022359485.db2.gz SRGZDTNRDXDHTN-QZTJIDSGSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021225 1022359504 /nfs/dbraw/zinc/35/95/04/1022359504.db2.gz SRGZDTNRDXDHTN-QZTJIDSGSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021225 1022359520 /nfs/dbraw/zinc/35/95/20/1022359520.db2.gz SRGZDTNRDXDHTN-QZTJIDSGSA-N 2 2 325.500 4.254 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000162149473 1022629204 /nfs/dbraw/zinc/62/92/04/1022629204.db2.gz XQROOCUBBQGNAJ-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011890 1022651056 /nfs/dbraw/zinc/65/10/56/1022651056.db2.gz DITQGLIDHBXSLG-MAUKXSAKSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011890 1022651074 /nfs/dbraw/zinc/65/10/74/1022651074.db2.gz DITQGLIDHBXSLG-MAUKXSAKSA-N 2 2 344.886 4.046 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)nc1-c1ccccc1 ZINC000378355747 1022741958 /nfs/dbraw/zinc/74/19/58/1022741958.db2.gz QEVIBLBUDIKQDW-OALUTQOASA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)nc1-c1ccccc1 ZINC000378355747 1022741980 /nfs/dbraw/zinc/74/19/80/1022741980.db2.gz QEVIBLBUDIKQDW-OALUTQOASA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355747 1022742003 /nfs/dbraw/zinc/74/20/03/1022742003.db2.gz QEVIBLBUDIKQDW-OALUTQOASA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355747 1022742020 /nfs/dbraw/zinc/74/20/20/1022742020.db2.gz QEVIBLBUDIKQDW-OALUTQOASA-N 2 2 338.499 4.006 20 0 EIADLP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378389942 1022785585 /nfs/dbraw/zinc/78/55/85/1022785585.db2.gz BFWWKEGMRKPNMR-XJABCFGWSA-N 2 2 347.462 4.301 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278620 1022953167 /nfs/dbraw/zinc/95/31/67/1022953167.db2.gz UTOKZMUCBIDWPT-LAUBAEHRSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278620 1022953194 /nfs/dbraw/zinc/95/31/94/1022953194.db2.gz UTOKZMUCBIDWPT-LAUBAEHRSA-N 2 2 338.495 4.499 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000581342096 1023039935 /nfs/dbraw/zinc/03/99/35/1023039935.db2.gz WDTYIRPGAKPXKT-QINSGFPZSA-N 2 2 347.409 4.225 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2F)cc1 ZINC000086279254 1023170378 /nfs/dbraw/zinc/17/03/78/1023170378.db2.gz CMTRYVIWJCODMS-CYBMUJFWSA-N 2 2 327.378 4.310 20 0 EIADLP FC(F)(F)C1(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000377124157 1023378197 /nfs/dbraw/zinc/37/81/97/1023378197.db2.gz CWNDPVCUQGSITN-UHFFFAOYSA-N 2 2 332.435 4.035 20 0 EIADLP CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119553693 1023410650 /nfs/dbraw/zinc/41/06/50/1023410650.db2.gz PVXJFELXKLIIBS-QGZVFWFLSA-N 2 2 335.451 4.260 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C2 ZINC000364372762 1023690337 /nfs/dbraw/zinc/69/03/37/1023690337.db2.gz FHUOMVDDJZBNOK-CTNGQTDRSA-N 2 2 335.426 4.025 20 0 EIADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C2CC2)cc1 ZINC000377691843 1023691981 /nfs/dbraw/zinc/69/19/81/1023691981.db2.gz IMRIXFYBSAAIRZ-BDTNDASRSA-N 2 2 335.495 4.124 20 0 EIADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C2CC2)cc1 ZINC000377691843 1023691992 /nfs/dbraw/zinc/69/19/92/1023691992.db2.gz IMRIXFYBSAAIRZ-BDTNDASRSA-N 2 2 335.495 4.124 20 0 EIADLP CCCOc1c(C[N@H+](C)C2CC[NH+](CCC)CC2)cccc1OCC ZINC000510468889 1023772287 /nfs/dbraw/zinc/77/22/87/1023772287.db2.gz IPNVPSQDINAVSW-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP CCCOc1c(C[N@@H+](C)C2CC[NH+](CCC)CC2)cccc1OCC ZINC000510468889 1023772293 /nfs/dbraw/zinc/77/22/93/1023772293.db2.gz IPNVPSQDINAVSW-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000194864112 1023919704 /nfs/dbraw/zinc/91/97/04/1023919704.db2.gz KIOYZMYESRNVRW-IBGZPJMESA-N 2 2 333.435 4.048 20 0 EIADLP CSc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678089 1024012946 /nfs/dbraw/zinc/01/29/46/1024012946.db2.gz QNGRLKIDXGCLQK-UHFFFAOYSA-N 2 2 326.509 4.163 20 0 EIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCC(F)(F)F ZINC000549553856 1024302124 /nfs/dbraw/zinc/30/21/24/1024302124.db2.gz ICHDCFLXPPYDNL-INIZCTEOSA-N 2 2 328.422 4.001 20 0 EIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCC(F)(F)F ZINC000549553856 1024302132 /nfs/dbraw/zinc/30/21/32/1024302132.db2.gz ICHDCFLXPPYDNL-INIZCTEOSA-N 2 2 328.422 4.001 20 0 EIADLP Cc1cc(OCCC[C@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000510737679 1024369560 /nfs/dbraw/zinc/36/95/60/1024369560.db2.gz TZGFTOFQXPDHOV-INIZCTEOSA-N 2 2 335.879 4.072 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092165591 1024747995 /nfs/dbraw/zinc/74/79/95/1024747995.db2.gz FOXUTYWMXLLETM-UHFFFAOYSA-N 2 2 335.542 4.178 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092165591 1024748033 /nfs/dbraw/zinc/74/80/33/1024748033.db2.gz FOXUTYWMXLLETM-UHFFFAOYSA-N 2 2 335.542 4.178 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903189 1024979807 /nfs/dbraw/zinc/97/98/07/1024979807.db2.gz TUOWTBXWWGOKIW-KNQAVFIVSA-N 2 2 340.511 4.355 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903189 1024979820 /nfs/dbraw/zinc/97/98/20/1024979820.db2.gz TUOWTBXWWGOKIW-KNQAVFIVSA-N 2 2 340.511 4.355 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000277092493 1025036437 /nfs/dbraw/zinc/03/64/37/1025036437.db2.gz GLIAWIYLGFXTCX-AYOQOUSVSA-N 2 2 347.572 4.117 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000326712851 1025209960 /nfs/dbraw/zinc/20/99/60/1025209960.db2.gz BCGAEALODZJICI-LPHOPBHVSA-N 2 2 345.487 4.056 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000151309499 1025279880 /nfs/dbraw/zinc/27/98/80/1025279880.db2.gz YWFRLLDCMWZLRX-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)c[nH+]1 ZINC000176635876 1025347268 /nfs/dbraw/zinc/34/72/68/1025347268.db2.gz QGDKEZSRFKJUSJ-HXUWFJFHSA-N 2 2 345.446 4.408 20 0 EIADLP CC1(C)C[C@]1(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000663476092 1025437926 /nfs/dbraw/zinc/43/79/26/1025437926.db2.gz XNIDMZOFFNEYCQ-QHCPKHFHSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028194 1025679496 /nfs/dbraw/zinc/67/94/96/1025679496.db2.gz GDNCEVHWDPXRSR-KANFNMMFSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028194 1025679533 /nfs/dbraw/zinc/67/95/33/1025679533.db2.gz GDNCEVHWDPXRSR-KANFNMMFSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)c2ccccc21 ZINC000342295601 1025802608 /nfs/dbraw/zinc/80/26/08/1025802608.db2.gz RGAXGMMFKWNSCM-CYBMUJFWSA-N 2 2 343.471 4.348 20 0 EIADLP CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585749509 1025817803 /nfs/dbraw/zinc/81/78/03/1025817803.db2.gz MKYLDSUBUWFXQA-UHFFFAOYSA-N 2 2 335.451 4.293 20 0 EIADLP CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585749509 1025817804 /nfs/dbraw/zinc/81/78/04/1025817804.db2.gz MKYLDSUBUWFXQA-UHFFFAOYSA-N 2 2 335.451 4.293 20 0 EIADLP CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000657305280 1025838945 /nfs/dbraw/zinc/83/89/45/1025838945.db2.gz MLVXLPOSUQNMHF-UHFFFAOYSA-N 2 2 349.478 4.318 20 0 EIADLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1F ZINC000432410851 1025879122 /nfs/dbraw/zinc/87/91/22/1025879122.db2.gz SFVGMORSVQGXDK-YOEHRIQHSA-N 2 2 342.886 4.021 20 0 EIADLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1F ZINC000432410851 1025879126 /nfs/dbraw/zinc/87/91/26/1025879126.db2.gz SFVGMORSVQGXDK-YOEHRIQHSA-N 2 2 342.886 4.021 20 0 EIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(CC)CC ZINC000344033680 1025889487 /nfs/dbraw/zinc/88/94/87/1025889487.db2.gz LPXHNRVSHVIAFV-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000344032748 1025892686 /nfs/dbraw/zinc/89/26/86/1025892686.db2.gz JNOMKFRPJHZKKJ-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP CC(C)(C)c1ccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000303418452 1026137394 /nfs/dbraw/zinc/13/73/94/1026137394.db2.gz XEYXQKLPOXACQU-UHFFFAOYSA-N 2 2 341.499 4.287 20 0 EIADLP CC[C@@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C)cs1 ZINC000344239202 1026171217 /nfs/dbraw/zinc/17/12/17/1026171217.db2.gz YCRHJPZYFRKNRA-MRXNPFEDSA-N 2 2 332.498 4.114 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829920 1026196185 /nfs/dbraw/zinc/19/61/85/1026196185.db2.gz QWVFWHUQOGLJPV-FQEVSTJZSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829920 1026196195 /nfs/dbraw/zinc/19/61/95/1026196195.db2.gz QWVFWHUQOGLJPV-FQEVSTJZSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000663691286 1026218105 /nfs/dbraw/zinc/21/81/05/1026218105.db2.gz DFNMOEAHVRADGJ-UHFFFAOYSA-N 2 2 327.394 4.228 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000319858888 1026262832 /nfs/dbraw/zinc/26/28/32/1026262832.db2.gz OLZWJGYNGWEJKL-ZDUSSCGKSA-N 2 2 346.849 4.296 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000319858888 1026262847 /nfs/dbraw/zinc/26/28/47/1026262847.db2.gz OLZWJGYNGWEJKL-ZDUSSCGKSA-N 2 2 346.849 4.296 20 0 EIADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1C ZINC000582221207 1026343221 /nfs/dbraw/zinc/34/32/21/1026343221.db2.gz CEKQFKGCTMWAMX-OAQYLSRUSA-N 2 2 349.478 4.348 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187363831 1026377671 /nfs/dbraw/zinc/37/76/71/1026377671.db2.gz NOCSDMSTEMQTDH-NHYWBVRUSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000187363831 1026377684 /nfs/dbraw/zinc/37/76/84/1026377684.db2.gz NOCSDMSTEMQTDH-NHYWBVRUSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363831 1026377697 /nfs/dbraw/zinc/37/76/97/1026377697.db2.gz NOCSDMSTEMQTDH-NHYWBVRUSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363831 1026377708 /nfs/dbraw/zinc/37/77/08/1026377708.db2.gz NOCSDMSTEMQTDH-NHYWBVRUSA-N 2 2 334.813 4.273 20 0 EIADLP c1cn(-c2csc(C[NH2+]Cc3cc4ccccc4s3)c2)c[nH+]1 ZINC000550227329 1026382681 /nfs/dbraw/zinc/38/26/81/1026382681.db2.gz PRUPVLDENWHILK-UHFFFAOYSA-N 2 2 325.462 4.438 20 0 EIADLP Fc1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cccc1OC1CC1 ZINC000657384330 1026401128 /nfs/dbraw/zinc/40/11/28/1026401128.db2.gz OVHNEGCHXMNVLJ-UHFFFAOYSA-N 2 2 346.490 4.254 20 0 EIADLP Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000893707058 1026801765 /nfs/dbraw/zinc/80/17/65/1026801765.db2.gz OZZUHAGSXGLAQN-LJQANCHMSA-N 2 2 331.463 4.272 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000507506131 1026819942 /nfs/dbraw/zinc/81/99/42/1026819942.db2.gz FGDOEMJZILTWKW-LVCYWYKZSA-N 2 2 337.511 4.348 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000507506131 1026819946 /nfs/dbraw/zinc/81/99/46/1026819946.db2.gz FGDOEMJZILTWKW-LVCYWYKZSA-N 2 2 337.511 4.348 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1C(F)(F)F ZINC000152783365 1026845612 /nfs/dbraw/zinc/84/56/12/1026845612.db2.gz ITTWHYGOCKMYRK-CYBMUJFWSA-N 2 2 337.389 4.132 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000152856146 1026857102 /nfs/dbraw/zinc/85/71/02/1026857102.db2.gz KPNCAYXCFXQIOD-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000152899801 1026874947 /nfs/dbraw/zinc/87/49/47/1026874947.db2.gz BHORVRMERSJKRR-INIZCTEOSA-N 2 2 343.540 4.063 20 0 EIADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582695591 1026954763 /nfs/dbraw/zinc/95/47/63/1026954763.db2.gz XIJXFQMQLHIVRA-IRXDYDNUSA-N 2 2 331.891 4.167 20 0 EIADLP CC1(C)C[C@H]([NH2+]CCc2noc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000657534860 1026989741 /nfs/dbraw/zinc/98/97/41/1026989741.db2.gz UPMSTOWQYFOGAD-SFHVURJKSA-N 2 2 349.478 4.013 20 0 EIADLP CC1(C)C[C@H]([NH2+]CCc2noc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000657534860 1026989745 /nfs/dbraw/zinc/98/97/45/1026989745.db2.gz UPMSTOWQYFOGAD-SFHVURJKSA-N 2 2 349.478 4.013 20 0 EIADLP CC(C)Oc1cccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C(F)F)c1 ZINC000582736453 1027122808 /nfs/dbraw/zinc/12/28/08/1027122808.db2.gz ZBAULIUGBILATL-LEOMRAHMSA-N 2 2 340.458 4.242 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333950 1027450528 /nfs/dbraw/zinc/45/05/28/1027450528.db2.gz VETMYXFBBQZGQG-LJQANCHMSA-N 2 2 339.483 4.180 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333950 1027450535 /nfs/dbraw/zinc/45/05/35/1027450535.db2.gz VETMYXFBBQZGQG-LJQANCHMSA-N 2 2 339.483 4.180 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333950 1027450543 /nfs/dbraw/zinc/45/05/43/1027450543.db2.gz VETMYXFBBQZGQG-LJQANCHMSA-N 2 2 339.483 4.180 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1Oc1cccnc1 ZINC000441333950 1027450551 /nfs/dbraw/zinc/45/05/51/1027450551.db2.gz VETMYXFBBQZGQG-LJQANCHMSA-N 2 2 339.483 4.180 20 0 EIADLP FC(F)(F)c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1Cl ZINC000475561808 1027609630 /nfs/dbraw/zinc/60/96/30/1027609630.db2.gz MFBDWAGWPHRAIV-UHFFFAOYSA-N 2 2 346.824 4.465 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1F ZINC000153701364 1027878169 /nfs/dbraw/zinc/87/81/69/1027878169.db2.gz OPGMKZFRSOFPLE-GFCCVEGCSA-N 2 2 345.368 4.449 20 0 EIADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382283 1028177151 /nfs/dbraw/zinc/17/71/51/1028177151.db2.gz RCDPVMSWAQXYHY-KSEOMHKRSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382283 1028177173 /nfs/dbraw/zinc/17/71/73/1028177173.db2.gz RCDPVMSWAQXYHY-KSEOMHKRSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000428382283 1028177189 /nfs/dbraw/zinc/17/71/89/1028177189.db2.gz RCDPVMSWAQXYHY-KSEOMHKRSA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000428382283 1028177202 /nfs/dbraw/zinc/17/72/02/1028177202.db2.gz RCDPVMSWAQXYHY-KSEOMHKRSA-N 2 2 342.527 4.101 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000346212387 1028315507 /nfs/dbraw/zinc/31/55/07/1028315507.db2.gz XBDHUSYWAHLOSP-UHFFFAOYSA-N 2 2 344.821 4.000 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000346212387 1028315532 /nfs/dbraw/zinc/31/55/32/1028315532.db2.gz XBDHUSYWAHLOSP-UHFFFAOYSA-N 2 2 344.821 4.000 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nc(C)cs1 ZINC000150968372 1028653540 /nfs/dbraw/zinc/65/35/40/1028653540.db2.gz WURBWJKWCRCMDD-LJQANCHMSA-N 2 2 343.540 4.199 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)c1ccccc1 ZINC000583787245 1029175158 /nfs/dbraw/zinc/17/51/58/1029175158.db2.gz TYMAOUZAUWGHED-NYLDSWQDSA-N 2 2 330.516 4.151 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](c3ncccc3C)C1)CCC2 ZINC000343492933 1029362019 /nfs/dbraw/zinc/36/20/19/1029362019.db2.gz QOZVQFUXTZSVPX-CEXWTWQISA-N 2 2 338.499 4.088 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151366856 1029490200 /nfs/dbraw/zinc/49/02/00/1029490200.db2.gz AWQAESVNQQBWIT-YCRPNKLZSA-N 2 2 335.426 4.094 20 0 EIADLP Cc1nc(-c2ccc([C@H](C)[NH2+]CCCn3cc[nH+]c3)cc2)cs1 ZINC000343561315 1029501026 /nfs/dbraw/zinc/50/10/26/1029501026.db2.gz HSBVUGIQALDSHU-AWEZNQCLSA-N 2 2 326.469 4.056 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@H]3C3CC3)C2)CC1 ZINC000475338314 1029554273 /nfs/dbraw/zinc/55/42/73/1029554273.db2.gz SSYKGRLFIZDXEQ-ZGUYJTEBSA-N 2 2 344.465 4.350 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475340041 1029556025 /nfs/dbraw/zinc/55/60/25/1029556025.db2.gz WPIADHBKMNJYCS-SJJHQCBESA-N 2 2 332.454 4.206 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000475345427 1029559186 /nfs/dbraw/zinc/55/91/86/1029559186.db2.gz APOQYJULWJSIOR-WYEXVOONSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1C ZINC000475352775 1029565397 /nfs/dbraw/zinc/56/53/97/1029565397.db2.gz JAPIRBXHSGZGFP-WYEXVOONSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC001204784022 1029568023 /nfs/dbraw/zinc/56/80/23/1029568023.db2.gz XYHUDIKTMDZYHM-SFHVURJKSA-N 2 2 334.385 4.296 20 0 EIADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC001204784022 1029568029 /nfs/dbraw/zinc/56/80/29/1029568029.db2.gz XYHUDIKTMDZYHM-SFHVURJKSA-N 2 2 334.385 4.296 20 0 EIADLP COc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCCS2 ZINC000446929452 1029642694 /nfs/dbraw/zinc/64/26/94/1029642694.db2.gz KINAMGROKRXJNU-QGZVFWFLSA-N 2 2 343.496 4.109 20 0 EIADLP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301124350 1029672748 /nfs/dbraw/zinc/67/27/48/1029672748.db2.gz ZCSRYYAOEQBRRS-UHFFFAOYSA-N 2 2 326.488 4.361 20 0 EIADLP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301124350 1029672753 /nfs/dbraw/zinc/67/27/53/1029672753.db2.gz ZCSRYYAOEQBRRS-UHFFFAOYSA-N 2 2 326.488 4.361 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000447099346 1029694892 /nfs/dbraw/zinc/69/48/92/1029694892.db2.gz RANBUOBLXUGPIG-RDTXWAMCSA-N 2 2 326.440 4.150 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657840943 1029758413 /nfs/dbraw/zinc/75/84/13/1029758413.db2.gz ZATNPSNLPWMRSR-KRWDZBQOSA-N 2 2 349.478 4.451 20 0 EIADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657845150 1029768853 /nfs/dbraw/zinc/76/88/53/1029768853.db2.gz QIQLLXXFVHVTBM-QGZVFWFLSA-N 2 2 339.405 4.293 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000301710777 1029795105 /nfs/dbraw/zinc/79/51/05/1029795105.db2.gz KGFWRQAZYQAPOH-AWEZNQCLSA-N 2 2 340.858 4.081 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000278767410 1029843087 /nfs/dbraw/zinc/84/30/87/1029843087.db2.gz YIPLCVJRVOPSFS-HNNXBMFYSA-N 2 2 337.423 4.136 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000278767418 1029844228 /nfs/dbraw/zinc/84/42/28/1029844228.db2.gz YIPLCVJRVOPSFS-OAHLLOKOSA-N 2 2 337.423 4.136 20 0 EIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000089668722 1029852299 /nfs/dbraw/zinc/85/22/99/1029852299.db2.gz HLYRXDVKSGPCQI-COPCDDAFSA-N 2 2 338.495 4.017 20 0 EIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000089668722 1029852300 /nfs/dbraw/zinc/85/23/00/1029852300.db2.gz HLYRXDVKSGPCQI-COPCDDAFSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090911974 1029865254 /nfs/dbraw/zinc/86/52/54/1029865254.db2.gz WOZHGMWIALFBLA-MRXNPFEDSA-N 2 2 348.450 4.049 20 0 EIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000092072038 1029898707 /nfs/dbraw/zinc/89/87/07/1029898707.db2.gz JKJSBAIZTOTIMU-HNNXBMFYSA-N 2 2 335.398 4.008 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000092072038 1029898714 /nfs/dbraw/zinc/89/87/14/1029898714.db2.gz JKJSBAIZTOTIMU-HNNXBMFYSA-N 2 2 335.398 4.008 20 0 EIADLP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072859 1029899548 /nfs/dbraw/zinc/89/95/48/1029899548.db2.gz DMSQHTKSJWTHRD-LJQANCHMSA-N 2 2 347.462 4.465 20 0 EIADLP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072859 1029899553 /nfs/dbraw/zinc/89/95/53/1029899553.db2.gz DMSQHTKSJWTHRD-LJQANCHMSA-N 2 2 347.462 4.465 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000183689233 1030017403 /nfs/dbraw/zinc/01/74/03/1030017403.db2.gz OPTNVJBNZXZRBW-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CCC2 ZINC000367387084 1030145735 /nfs/dbraw/zinc/14/57/35/1030145735.db2.gz ZVWYMFDYCQVSBA-DNVCBOLYSA-N 2 2 334.467 4.217 20 0 EIADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc(C(F)(F)F)c1 ZINC001143457006 1030162587 /nfs/dbraw/zinc/16/25/87/1030162587.db2.gz DUKLPRMZRWLSEN-UHFFFAOYSA-N 2 2 349.400 4.039 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575747 1030200774 /nfs/dbraw/zinc/20/07/74/1030200774.db2.gz ZFWJJBZVMKUHAJ-GUXCAODWSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575747 1030200783 /nfs/dbraw/zinc/20/07/83/1030200783.db2.gz ZFWJJBZVMKUHAJ-GUXCAODWSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409810 1030204994 /nfs/dbraw/zinc/20/49/94/1030204994.db2.gz PORTUTNPHCYCOM-HOCLYGCPSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409810 1030205019 /nfs/dbraw/zinc/20/50/19/1030205019.db2.gz PORTUTNPHCYCOM-HOCLYGCPSA-N 2 2 329.513 4.334 20 0 EIADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530216269 1030223668 /nfs/dbraw/zinc/22/36/68/1030223668.db2.gz ABHVEPNVCXJYIB-RDJZCZTQSA-N 2 2 339.508 4.062 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001168168997 1030417001 /nfs/dbraw/zinc/41/70/01/1030417001.db2.gz WQBLKQONURYMDY-CQSZACIVSA-N 2 2 325.843 4.466 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189494622 1030472613 /nfs/dbraw/zinc/47/26/13/1030472613.db2.gz NIYCUVXXUYJCJW-KXBFYZLASA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189494622 1030472628 /nfs/dbraw/zinc/47/26/28/1030472628.db2.gz NIYCUVXXUYJCJW-KXBFYZLASA-N 2 2 347.890 4.087 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCSCC2)c(C)c1 ZINC000657930757 1030622758 /nfs/dbraw/zinc/62/27/58/1030622758.db2.gz KOPXZSVPTMULPC-PKOBYXMFSA-N 2 2 329.513 4.117 20 0 EIADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000685662180 1030659715 /nfs/dbraw/zinc/65/97/15/1030659715.db2.gz WKQOHABCESQQLN-HUUCEWRRSA-N 2 2 337.389 4.417 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109838 1030702316 /nfs/dbraw/zinc/70/23/16/1030702316.db2.gz CPLUTDVYPDDFOV-AVRDEDQJSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109838 1030702334 /nfs/dbraw/zinc/70/23/34/1030702334.db2.gz CPLUTDVYPDDFOV-AVRDEDQJSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527524006 1030745257 /nfs/dbraw/zinc/74/52/57/1030745257.db2.gz HDQBPRUULNSVHA-OAHLLOKOSA-N 2 2 345.437 4.334 20 0 EIADLP C[C@@H]1[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000658198952 1030879286 /nfs/dbraw/zinc/87/92/86/1030879286.db2.gz YSWWNRIUFIWYGP-GUGJDKNPSA-N 2 2 345.490 4.486 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000532514511 1031245688 /nfs/dbraw/zinc/24/56/88/1031245688.db2.gz RQXRHWIDUKQNLG-UHFFFAOYSA-N 2 2 344.543 4.192 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000375837675 1031323628 /nfs/dbraw/zinc/32/36/28/1031323628.db2.gz HJBIOGBKLMMVLE-FRQCXROJSA-N 2 2 329.513 4.185 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000375837675 1031323643 /nfs/dbraw/zinc/32/36/43/1031323643.db2.gz HJBIOGBKLMMVLE-FRQCXROJSA-N 2 2 329.513 4.185 20 0 EIADLP COc1cc2ccccc2cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000449009169 1031355080 /nfs/dbraw/zinc/35/50/80/1031355080.db2.gz MJZHQTGQVDABFX-UHFFFAOYSA-N 2 2 326.484 4.153 20 0 EIADLP COc1cc2ccccc2cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000449009169 1031355096 /nfs/dbraw/zinc/35/50/96/1031355096.db2.gz MJZHQTGQVDABFX-UHFFFAOYSA-N 2 2 326.484 4.153 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026058 1031362395 /nfs/dbraw/zinc/36/23/95/1031362395.db2.gz DUXJEBKHWIZCFF-CABCVRRESA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026058 1031362414 /nfs/dbraw/zinc/36/24/14/1031362414.db2.gz DUXJEBKHWIZCFF-CABCVRRESA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026058 1031362424 /nfs/dbraw/zinc/36/24/24/1031362424.db2.gz DUXJEBKHWIZCFF-CABCVRRESA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026058 1031362445 /nfs/dbraw/zinc/36/24/45/1031362445.db2.gz DUXJEBKHWIZCFF-CABCVRRESA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026061 1031363319 /nfs/dbraw/zinc/36/33/19/1031363319.db2.gz DUXJEBKHWIZCFF-LSDHHAIUSA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026061 1031363322 /nfs/dbraw/zinc/36/33/22/1031363322.db2.gz DUXJEBKHWIZCFF-LSDHHAIUSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026061 1031363325 /nfs/dbraw/zinc/36/33/25/1031363325.db2.gz DUXJEBKHWIZCFF-LSDHHAIUSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026061 1031363329 /nfs/dbraw/zinc/36/33/29/1031363329.db2.gz DUXJEBKHWIZCFF-LSDHHAIUSA-N 2 2 347.503 4.254 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000449061572 1031389411 /nfs/dbraw/zinc/38/94/11/1031389411.db2.gz WCSJLYSNTUUQEF-UHFFFAOYSA-N 2 2 335.451 4.197 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)CC1 ZINC000449087186 1031417302 /nfs/dbraw/zinc/41/73/02/1031417302.db2.gz UTGLQOSBZOPIBC-LEWJYISDSA-N 2 2 342.527 4.151 20 0 EIADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000528443528 1031510971 /nfs/dbraw/zinc/51/09/71/1031510971.db2.gz QCZCWEGGPRAFTH-YWZLYKJASA-N 2 2 339.414 4.050 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1sccc1Br ZINC000531738840 1031517320 /nfs/dbraw/zinc/51/73/20/1031517320.db2.gz ZGOCTBPXWZMALL-TUAOUCFPSA-N 2 2 331.323 4.034 20 0 EIADLP COc1cc(C)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000449185668 1031525454 /nfs/dbraw/zinc/52/54/54/1031525454.db2.gz ICMIYOCKGDNWDN-NRFANRHFSA-N 2 2 349.478 4.348 20 0 EIADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000375947082 1031577214 /nfs/dbraw/zinc/57/72/14/1031577214.db2.gz JYIJCIILTAQAKG-ZDUSSCGKSA-N 2 2 326.831 4.006 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2cccnc2o1 ZINC000449306087 1031611177 /nfs/dbraw/zinc/61/11/77/1031611177.db2.gz JNVVPUXZHQFEOC-FQEVSTJZSA-N 2 2 349.478 4.218 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2cccnc2o1 ZINC000449306087 1031611184 /nfs/dbraw/zinc/61/11/84/1031611184.db2.gz JNVVPUXZHQFEOC-FQEVSTJZSA-N 2 2 349.478 4.218 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cs1 ZINC000453176531 1031649564 /nfs/dbraw/zinc/64/95/64/1031649564.db2.gz RCVJAULUTVYPEU-CVEARBPZSA-N 2 2 329.513 4.328 20 0 EIADLP FC(F)C1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000449352024 1031652877 /nfs/dbraw/zinc/65/28/77/1031652877.db2.gz UGBJVDMJRDYMEX-UHFFFAOYSA-N 2 2 339.817 4.439 20 0 EIADLP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449401603 1031703391 /nfs/dbraw/zinc/70/33/91/1031703391.db2.gz NICFFKKYQBKKTE-FPOVZHCZSA-N 2 2 335.495 4.224 20 0 EIADLP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449401601 1031705676 /nfs/dbraw/zinc/70/56/76/1031705676.db2.gz NICFFKKYQBKKTE-CTNGQTDRSA-N 2 2 335.495 4.224 20 0 EIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCC(C)C)CC2)cc1 ZINC000449521909 1031821340 /nfs/dbraw/zinc/82/13/40/1031821340.db2.gz ICLFDCGWKMWXMW-QGZVFWFLSA-N 2 2 345.531 4.024 20 0 EIADLP CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000453317710 1031842487 /nfs/dbraw/zinc/84/24/87/1031842487.db2.gz JEDOFCRSYGQXLN-UWJYYQICSA-N 2 2 335.451 4.085 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1sccc1Br ZINC000531956225 1031872821 /nfs/dbraw/zinc/87/28/21/1031872821.db2.gz KHGOIGHCGFDZRT-LLVKDONJSA-N 2 2 343.334 4.036 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Oc2ccccc2)cn1 ZINC000453351969 1031882362 /nfs/dbraw/zinc/88/23/62/1031882362.db2.gz MYOUGIGIGOCXEG-CSNJMZFVSA-N 2 2 337.467 4.150 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Oc2ccccc2)cn1 ZINC000453351969 1031882370 /nfs/dbraw/zinc/88/23/70/1031882370.db2.gz MYOUGIGIGOCXEG-CSNJMZFVSA-N 2 2 337.467 4.150 20 0 EIADLP c1csc([C@H]2C[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000449617983 1031894037 /nfs/dbraw/zinc/89/40/37/1031894037.db2.gz AMCIHOPOKBMTDD-CZUORRHYSA-N 2 2 345.493 4.005 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCc3ccccc32)[nH+]1 ZINC000132267657 1031910218 /nfs/dbraw/zinc/91/02/18/1031910218.db2.gz APRGQXJFVTZMLE-OAQYLSRUSA-N 2 2 331.463 4.141 20 0 EIADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925221811 1031959755 /nfs/dbraw/zinc/95/97/55/1031959755.db2.gz PPHGCBAZARXPEZ-GOSISDBHSA-N 2 2 333.907 4.109 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152111536 1033522735 /nfs/dbraw/zinc/52/27/35/1033522735.db2.gz JSIOFPVMDQPUOS-ROUUACIJSA-N 2 2 349.478 4.222 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152133880 1033559612 /nfs/dbraw/zinc/55/96/12/1033559612.db2.gz NPUPOIOLXVIUNS-QVKFZJNVSA-N 2 2 335.426 4.094 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)o1 ZINC000513094316 1034574768 /nfs/dbraw/zinc/57/47/68/1034574768.db2.gz HMUYXPXFJQAWNI-UHFFFAOYSA-N 2 2 330.447 4.357 20 0 EIADLP Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1C ZINC000513211866 1034837821 /nfs/dbraw/zinc/83/78/21/1034837821.db2.gz COQAKPYLHPTQHO-UHFFFAOYSA-N 2 2 348.494 4.247 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034121 1035360924 /nfs/dbraw/zinc/36/09/24/1035360924.db2.gz XFANUHDJSQYXHE-DZGCQCFKSA-N 2 2 337.389 4.412 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034121 1035360928 /nfs/dbraw/zinc/36/09/28/1035360928.db2.gz XFANUHDJSQYXHE-DZGCQCFKSA-N 2 2 337.389 4.412 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000501377672 1035433404 /nfs/dbraw/zinc/43/34/04/1035433404.db2.gz MOBIKXZFCKXDJS-KQGZCTBQSA-N 2 2 337.389 4.231 20 0 EIADLP Cc1nc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313499 1035508574 /nfs/dbraw/zinc/50/85/74/1035508574.db2.gz UEAYTPCVUDVUED-KUHUBIRLSA-N 2 2 345.874 4.050 20 0 EIADLP Cc1nc([C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313499 1035508586 /nfs/dbraw/zinc/50/85/86/1035508586.db2.gz UEAYTPCVUDVUED-KUHUBIRLSA-N 2 2 345.874 4.050 20 0 EIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCCC4)c2)c[nH+]1 ZINC000490592876 1035545412 /nfs/dbraw/zinc/54/54/12/1035545412.db2.gz LQDVECGHPUSDDL-UHFFFAOYSA-N 2 2 331.463 4.100 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000485269893 1035809108 /nfs/dbraw/zinc/80/91/08/1035809108.db2.gz JAZPCTOZKMBXQN-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000571669470 1036110093 /nfs/dbraw/zinc/11/00/93/1036110093.db2.gz NNBBXBCMAVWCFU-HIFRSBDPSA-N 2 2 341.480 4.034 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502683581 1036502334 /nfs/dbraw/zinc/50/23/34/1036502334.db2.gz DVFBFNHRKBAOAJ-SFHVURJKSA-N 2 2 340.515 4.171 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502683581 1036502354 /nfs/dbraw/zinc/50/23/54/1036502354.db2.gz DVFBFNHRKBAOAJ-SFHVURJKSA-N 2 2 340.515 4.171 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827277 1036780500 /nfs/dbraw/zinc/78/05/00/1036780500.db2.gz XDDJVPSLXACHIE-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827277 1036780523 /nfs/dbraw/zinc/78/05/23/1036780523.db2.gz XDDJVPSLXACHIE-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720549 1036813829 /nfs/dbraw/zinc/81/38/29/1036813829.db2.gz VJDPWYJTVIFWQO-ROUUACIJSA-N 2 2 341.524 4.381 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720549 1036813831 /nfs/dbraw/zinc/81/38/31/1036813831.db2.gz VJDPWYJTVIFWQO-ROUUACIJSA-N 2 2 341.524 4.381 20 0 EIADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271754118 1037006277 /nfs/dbraw/zinc/00/62/77/1037006277.db2.gz WPUSQKROGJNTEX-OAHLLOKOSA-N 2 2 344.890 4.043 20 0 EIADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271754118 1037006298 /nfs/dbraw/zinc/00/62/98/1037006298.db2.gz WPUSQKROGJNTEX-OAHLLOKOSA-N 2 2 344.890 4.043 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572986935 1037092133 /nfs/dbraw/zinc/09/21/33/1037092133.db2.gz YFHREQAAAAGCRK-LLVKDONJSA-N 2 2 344.459 4.150 20 0 EIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000272543519 1037217058 /nfs/dbraw/zinc/21/70/58/1037217058.db2.gz KXEMQJANIFVHFN-UHFFFAOYSA-N 2 2 342.449 4.262 20 0 EIADLP CC(C)c1csc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272572416 1037234647 /nfs/dbraw/zinc/23/46/47/1037234647.db2.gz IKHANDORKQUPRO-AEFFLSMTSA-N 2 2 343.540 4.267 20 0 EIADLP CC(C)c1csc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272572416 1037234686 /nfs/dbraw/zinc/23/46/86/1037234686.db2.gz IKHANDORKQUPRO-AEFFLSMTSA-N 2 2 343.540 4.267 20 0 EIADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411260 1037744533 /nfs/dbraw/zinc/74/45/33/1037744533.db2.gz DHOZVNGSQQAUHI-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411260 1037744559 /nfs/dbraw/zinc/74/45/59/1037744559.db2.gz DHOZVNGSQQAUHI-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422559132 1037755385 /nfs/dbraw/zinc/75/53/85/1037755385.db2.gz CCZQVAZJCBHFIU-QPJJXVBHSA-N 2 2 348.490 4.107 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422786768 1037832409 /nfs/dbraw/zinc/83/24/09/1037832409.db2.gz QSVPLCHWMHAPOC-BIENJYKASA-N 2 2 332.875 4.153 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ccccc21 ZINC000422823500 1037842215 /nfs/dbraw/zinc/84/22/15/1037842215.db2.gz DKRCEIXNCKDGRW-XZOQPEGZSA-N 3 2 349.522 4.297 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422866278 1037849547 /nfs/dbraw/zinc/84/95/47/1037849547.db2.gz QAESYJGRNKUTGJ-RBUKOAKNSA-N 2 2 340.467 4.109 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000422880401 1037852694 /nfs/dbraw/zinc/85/26/94/1037852694.db2.gz WXPKIRSBSBKRHO-CJMONDIMSA-N 2 2 340.442 4.410 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422890621 1037855797 /nfs/dbraw/zinc/85/57/97/1037855797.db2.gz SQJHKMWJXZKWNI-JKIFEVAISA-N 2 2 329.513 4.218 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422890624 1037856375 /nfs/dbraw/zinc/85/63/75/1037856375.db2.gz SQJHKMWJXZKWNI-ZQIUZPCESA-N 2 2 329.513 4.218 20 0 EIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422874198 1037859384 /nfs/dbraw/zinc/85/93/84/1037859384.db2.gz CGFMFZGQGORYSN-VSDWSMLSSA-N 3 2 349.522 4.153 20 0 EIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422874198 1037859388 /nfs/dbraw/zinc/85/93/88/1037859388.db2.gz CGFMFZGQGORYSN-VSDWSMLSSA-N 3 2 349.522 4.153 20 0 EIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000422906691 1037863356 /nfs/dbraw/zinc/86/33/56/1037863356.db2.gz AEZDDLXWIVZOTL-BFYDXBDKSA-N 2 2 344.528 4.167 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000423024206 1037911327 /nfs/dbraw/zinc/91/13/27/1037911327.db2.gz IQUMCTHFVCJZOY-SQNIBIBYSA-N 2 2 328.843 4.288 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423120669 1037969821 /nfs/dbraw/zinc/96/98/21/1037969821.db2.gz HFLHKPXHENCAJG-BPUTZDHNSA-N 2 2 332.900 4.472 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 ZINC000423146704 1037993705 /nfs/dbraw/zinc/99/37/05/1037993705.db2.gz PZXZJYVYQORRRP-DLBZAZTESA-N 2 2 348.368 4.309 20 0 EIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1Cl ZINC000423186658 1038017780 /nfs/dbraw/zinc/01/77/80/1038017780.db2.gz LLNLKPCTDYUBHZ-CYBMUJFWSA-N 2 2 338.282 4.219 20 0 EIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H](C)c1nc2ccccc2s1 ZINC000423249428 1038080968 /nfs/dbraw/zinc/08/09/68/1038080968.db2.gz TURPBHRMLRMMFX-OFQRWUPVSA-N 2 2 325.481 4.078 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000423252270 1038082685 /nfs/dbraw/zinc/08/26/85/1038082685.db2.gz XGVJTAJKOQVKFK-UWJYYQICSA-N 2 2 325.500 4.206 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423377511 1038189437 /nfs/dbraw/zinc/18/94/37/1038189437.db2.gz LUASSVSAIUQHOX-ZNZDAUKMSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395191 1038200697 /nfs/dbraw/zinc/20/06/97/1038200697.db2.gz NGESZXGOKITFQF-VGOFRKELSA-N 2 2 333.479 4.236 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423395086 1038201813 /nfs/dbraw/zinc/20/18/13/1038201813.db2.gz NCNSIWVJAKWOBS-UPKQVVFYSA-N 2 2 349.453 4.051 20 0 EIADLP CC[C@H](CC(F)F)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972789 1038220598 /nfs/dbraw/zinc/22/05/98/1038220598.db2.gz FPKVHBWCNGACPG-MRXNPFEDSA-N 2 2 339.474 4.301 20 0 EIADLP CC[C@H](CC(F)F)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972789 1038220613 /nfs/dbraw/zinc/22/06/13/1038220613.db2.gz FPKVHBWCNGACPG-MRXNPFEDSA-N 2 2 339.474 4.301 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000423510505 1038266377 /nfs/dbraw/zinc/26/63/77/1038266377.db2.gz SJPORGLJEDSQHY-SFTDATJTSA-N 2 2 344.474 4.145 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423517038 1038274607 /nfs/dbraw/zinc/27/46/07/1038274607.db2.gz YKRSPHMIFKZCTC-YHYVQYDKSA-N 2 2 338.495 4.006 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423518021 1038275990 /nfs/dbraw/zinc/27/59/90/1038275990.db2.gz ZAPXYKSXSQXWFT-OALUTQOASA-N 2 2 342.483 4.007 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172179 1038370790 /nfs/dbraw/zinc/37/07/90/1038370790.db2.gz LOAPYKZTHGOYCZ-YJBOKZPZSA-N 2 2 347.503 4.235 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172179 1038370799 /nfs/dbraw/zinc/37/07/99/1038370799.db2.gz LOAPYKZTHGOYCZ-YJBOKZPZSA-N 2 2 347.503 4.235 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000608071843 1038484559 /nfs/dbraw/zinc/48/45/59/1038484559.db2.gz KERIMTAJZVYHCO-OAHLLOKOSA-N 2 2 331.872 4.209 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000608073952 1038494435 /nfs/dbraw/zinc/49/44/35/1038494435.db2.gz PUYYJNUGMHUUTA-GOSISDBHSA-N 2 2 325.843 4.147 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000608141918 1038643057 /nfs/dbraw/zinc/64/30/57/1038643057.db2.gz LLTWVNRRRZYPFA-MSOLQXFVSA-N 2 2 348.918 4.378 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000608141918 1038643059 /nfs/dbraw/zinc/64/30/59/1038643059.db2.gz LLTWVNRRRZYPFA-MSOLQXFVSA-N 2 2 348.918 4.378 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000424157519 1038661582 /nfs/dbraw/zinc/66/15/82/1038661582.db2.gz PSAWZSYYGJGAJN-UHFFFAOYSA-N 2 2 326.488 4.308 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000480745742 1038786127 /nfs/dbraw/zinc/78/61/27/1038786127.db2.gz DGRVUZKUAOBCRG-ZIAGYGMSSA-N 2 2 345.393 4.377 20 0 EIADLP Cc1cccc(C)c1OC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000461891655 1038812715 /nfs/dbraw/zinc/81/27/15/1038812715.db2.gz RGAYJRMZTCSICF-NRFANRHFSA-N 2 2 338.495 4.107 20 0 EIADLP COc1ccc(C2([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000550735376 1038827901 /nfs/dbraw/zinc/82/79/01/1038827901.db2.gz GMEZDNOCAMWKJZ-PZJWPPBQSA-N 2 2 336.479 4.109 20 0 EIADLP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000550735376 1038827904 /nfs/dbraw/zinc/82/79/04/1038827904.db2.gz GMEZDNOCAMWKJZ-PZJWPPBQSA-N 2 2 336.479 4.109 20 0 EIADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000608582551 1038856651 /nfs/dbraw/zinc/85/66/51/1038856651.db2.gz MXFGVVJLBHBJPC-LJQANCHMSA-N 2 2 347.506 4.121 20 0 EIADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000608582551 1038856652 /nfs/dbraw/zinc/85/66/52/1038856652.db2.gz MXFGVVJLBHBJPC-LJQANCHMSA-N 2 2 347.506 4.121 20 0 EIADLP CC[N@@H+](Cc1cc(C)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618542 1038911610 /nfs/dbraw/zinc/91/16/10/1038911610.db2.gz BNMRESXGHLRKHO-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[N@H+](Cc1cc(C)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618542 1038911649 /nfs/dbraw/zinc/91/16/49/1038911649.db2.gz BNMRESXGHLRKHO-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CCCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1Cl ZINC000629525072 1039070604 /nfs/dbraw/zinc/07/06/04/1039070604.db2.gz RDBUWIMFMYMQBS-INIZCTEOSA-N 2 2 345.314 4.322 20 0 EIADLP COc1ccsc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000537629116 1039118756 /nfs/dbraw/zinc/11/87/56/1039118756.db2.gz SZTIDPQLOVZEPF-AEFFLSMTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000537629116 1039118766 /nfs/dbraw/zinc/11/87/66/1039118766.db2.gz SZTIDPQLOVZEPF-AEFFLSMTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000537629116 1039118779 /nfs/dbraw/zinc/11/87/79/1039118779.db2.gz SZTIDPQLOVZEPF-AEFFLSMTSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000537629116 1039118790 /nfs/dbraw/zinc/11/87/90/1039118790.db2.gz SZTIDPQLOVZEPF-AEFFLSMTSA-N 2 2 344.524 4.242 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000414820771 1039138362 /nfs/dbraw/zinc/13/83/62/1039138362.db2.gz BARKNQPWYAWQIR-QFIPXVFZSA-N 2 2 337.511 4.068 20 0 EIADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)s1 ZINC000120817032 1039224086 /nfs/dbraw/zinc/22/40/86/1039224086.db2.gz JSBSHBKYTALZKD-SFHVURJKSA-N 2 2 333.545 4.289 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301020 1039266077 /nfs/dbraw/zinc/26/60/77/1039266077.db2.gz WXKVLGFYMPPQLL-ZYHUDNBSSA-N 2 2 333.328 4.364 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301020 1039266107 /nfs/dbraw/zinc/26/61/07/1039266107.db2.gz WXKVLGFYMPPQLL-ZYHUDNBSSA-N 2 2 333.328 4.364 20 0 EIADLP C[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090845073 1039308077 /nfs/dbraw/zinc/30/80/77/1039308077.db2.gz KAPKFWBBRXXMSH-QINHECLXSA-N 2 2 333.435 4.088 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000552256658 1039319417 /nfs/dbraw/zinc/31/94/17/1039319417.db2.gz WJTLDRFBMCGRFR-WBVHZDCISA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000552256658 1039319438 /nfs/dbraw/zinc/31/94/38/1039319438.db2.gz WJTLDRFBMCGRFR-WBVHZDCISA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256658 1039319456 /nfs/dbraw/zinc/31/94/56/1039319456.db2.gz WJTLDRFBMCGRFR-WBVHZDCISA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256658 1039319474 /nfs/dbraw/zinc/31/94/74/1039319474.db2.gz WJTLDRFBMCGRFR-WBVHZDCISA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546665 1039352035 /nfs/dbraw/zinc/35/20/35/1039352035.db2.gz BACGIACUGWMAQQ-MBSDFSHPSA-N 2 2 349.522 4.349 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546665 1039352051 /nfs/dbraw/zinc/35/20/51/1039352051.db2.gz BACGIACUGWMAQQ-MBSDFSHPSA-N 2 2 349.522 4.349 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(C)ccc1OC ZINC000093396726 1039688360 /nfs/dbraw/zinc/68/83/60/1039688360.db2.gz GTMLAZZWZZOBCB-OAQYLSRUSA-N 2 2 349.478 4.489 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(C)ccc1OC ZINC000093400706 1039690846 /nfs/dbraw/zinc/69/08/46/1039690846.db2.gz NQCIZPYPBHIMCS-LJQANCHMSA-N 2 2 335.451 4.430 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678320 1039797183 /nfs/dbraw/zinc/79/71/83/1039797183.db2.gz FLCBPXYRDLCVBO-CQSZACIVSA-N 2 2 345.437 4.438 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514244613 1039805132 /nfs/dbraw/zinc/80/51/32/1039805132.db2.gz LCHCUIUANKJAGX-CABCVRRESA-N 2 2 336.907 4.091 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000514244613 1039805142 /nfs/dbraw/zinc/80/51/42/1039805142.db2.gz LCHCUIUANKJAGX-CABCVRRESA-N 2 2 336.907 4.091 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000414852577 1039859824 /nfs/dbraw/zinc/85/98/24/1039859824.db2.gz WBXATZBCGCKECY-FQEVSTJZSA-N 2 2 337.442 4.287 20 0 EIADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000553737780 1040460607 /nfs/dbraw/zinc/46/06/07/1040460607.db2.gz SXBIHNIRWKJGKG-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000539500183 1040491069 /nfs/dbraw/zinc/49/10/69/1040491069.db2.gz SUNXDKTXYPBGRC-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP Cc1ccccc1C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000551793227 1040605556 /nfs/dbraw/zinc/60/55/56/1040605556.db2.gz JKJFHRNJIZKLIX-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP CCC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000539660567 1040663223 /nfs/dbraw/zinc/66/32/23/1040663223.db2.gz ZIFGXIXEEWIBBC-VQTJNVASSA-N 2 2 338.499 4.175 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000479874864 1040736465 /nfs/dbraw/zinc/73/64/65/1040736465.db2.gz KMAXSPGZAWSXKB-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000479874864 1040736467 /nfs/dbraw/zinc/73/64/67/1040736467.db2.gz KMAXSPGZAWSXKB-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000539837879 1040817159 /nfs/dbraw/zinc/81/71/59/1040817159.db2.gz BGUHBGKJHWQDPD-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000539837879 1040817163 /nfs/dbraw/zinc/81/71/63/1040817163.db2.gz BGUHBGKJHWQDPD-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837879 1040817165 /nfs/dbraw/zinc/81/71/65/1040817165.db2.gz BGUHBGKJHWQDPD-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837879 1040817166 /nfs/dbraw/zinc/81/71/66/1040817166.db2.gz BGUHBGKJHWQDPD-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(Cl)c1 ZINC000436045941 1040837530 /nfs/dbraw/zinc/83/75/30/1040837530.db2.gz AAZMLIUXAPEVHS-HUUCEWRRSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(Cl)c1 ZINC000436045941 1040837531 /nfs/dbraw/zinc/83/75/31/1040837531.db2.gz AAZMLIUXAPEVHS-HUUCEWRRSA-N 2 2 349.931 4.278 20 0 EIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483424202 1040849846 /nfs/dbraw/zinc/84/98/46/1040849846.db2.gz CRXMQDUQMBUFOM-HNNXBMFYSA-N 2 2 339.405 4.245 20 0 EIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483424202 1040849851 /nfs/dbraw/zinc/84/98/51/1040849851.db2.gz CRXMQDUQMBUFOM-HNNXBMFYSA-N 2 2 339.405 4.245 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc3c(s1)CCCC3)CCC2 ZINC000483438486 1040858643 /nfs/dbraw/zinc/85/86/43/1040858643.db2.gz KMFFZYNQVDHRSY-HOCLYGCPSA-N 2 2 329.513 4.360 20 0 EIADLP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285569874 1040886577 /nfs/dbraw/zinc/88/65/77/1040886577.db2.gz SHWSLLWGGFIIEP-SJPCQFCGSA-N 2 2 345.874 4.052 20 0 EIADLP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285569874 1040886585 /nfs/dbraw/zinc/88/65/85/1040886585.db2.gz SHWSLLWGGFIIEP-SJPCQFCGSA-N 2 2 345.874 4.052 20 0 EIADLP C[NH+](Cc1cc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285569874 1040886594 /nfs/dbraw/zinc/88/65/94/1040886594.db2.gz SHWSLLWGGFIIEP-SJPCQFCGSA-N 2 2 345.874 4.052 20 0 EIADLP C[NH+](Cc1cc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285569874 1040886603 /nfs/dbraw/zinc/88/66/03/1040886603.db2.gz SHWSLLWGGFIIEP-SJPCQFCGSA-N 2 2 345.874 4.052 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851650 1040912220 /nfs/dbraw/zinc/91/22/20/1040912220.db2.gz SXKJQYPRRKARMV-KXBFYZLASA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851650 1040912238 /nfs/dbraw/zinc/91/22/38/1040912238.db2.gz SXKJQYPRRKARMV-KXBFYZLASA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851647 1040912707 /nfs/dbraw/zinc/91/27/07/1040912707.db2.gz SXKJQYPRRKARMV-BEFAXECRSA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851647 1040912726 /nfs/dbraw/zinc/91/27/26/1040912726.db2.gz SXKJQYPRRKARMV-BEFAXECRSA-N 2 2 343.540 4.403 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957098 1040929277 /nfs/dbraw/zinc/92/92/77/1040929277.db2.gz RCWOCTFRSZMECS-NQIIRXRSSA-N 2 2 343.559 4.488 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957098 1040929297 /nfs/dbraw/zinc/92/92/97/1040929297.db2.gz RCWOCTFRSZMECS-NQIIRXRSSA-N 2 2 343.559 4.488 20 0 EIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000480157136 1041013060 /nfs/dbraw/zinc/01/30/60/1041013060.db2.gz DGVHPEKYZKQNBX-GFCCVEGCSA-N 2 2 332.822 4.078 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000480165779 1041025696 /nfs/dbraw/zinc/02/56/96/1041025696.db2.gz FMGUCNZBBQQDBU-HXUWFJFHSA-N 2 2 346.877 4.447 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000483929542 1041070026 /nfs/dbraw/zinc/07/00/26/1041070026.db2.gz NSLZTCHIKOBGQX-UHFFFAOYSA-N 2 2 337.389 4.345 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000483929542 1041070037 /nfs/dbraw/zinc/07/00/37/1041070037.db2.gz NSLZTCHIKOBGQX-UHFFFAOYSA-N 2 2 337.389 4.345 20 0 EIADLP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000484129920 1041130805 /nfs/dbraw/zinc/13/08/05/1041130805.db2.gz MBPJZANQTVWBGH-MRXNPFEDSA-N 2 2 335.426 4.394 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1OC(F)(F)F ZINC000484295219 1041200592 /nfs/dbraw/zinc/20/05/92/1041200592.db2.gz UUQNJIYMZADTQH-ZDUSSCGKSA-N 2 2 339.361 4.133 20 0 EIADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000463026928 1041237312 /nfs/dbraw/zinc/23/73/12/1041237312.db2.gz DIXSXMCFUWSBML-ATZDWAIDSA-N 2 2 327.472 4.115 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccsc2S1 ZINC000156235398 1041363777 /nfs/dbraw/zinc/36/37/77/1041363777.db2.gz PEFFXUJJFNAYGR-XJKSGUPXSA-N 2 2 345.537 4.327 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCSc2ccccc2)CC1 ZINC000463139261 1041373093 /nfs/dbraw/zinc/37/30/93/1041373093.db2.gz RMWHOHIFONKWOP-UHFFFAOYSA-N 2 2 346.462 4.175 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000480561312 1041395405 /nfs/dbraw/zinc/39/54/05/1041395405.db2.gz XZJSUUJQFADUHC-SFHVURJKSA-N 2 2 345.490 4.313 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000516116687 1041406643 /nfs/dbraw/zinc/40/66/43/1041406643.db2.gz PKGKSAFIBKSJGU-UTCJRWHESA-N 2 2 339.389 4.013 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2cccc(Br)c21 ZINC000480605452 1041429314 /nfs/dbraw/zinc/42/93/14/1041429314.db2.gz BGFGVMPHZWIWGY-ISWURRPUSA-N 2 2 349.316 4.214 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2cccc(Br)c21 ZINC000480605452 1041429321 /nfs/dbraw/zinc/42/93/21/1041429321.db2.gz BGFGVMPHZWIWGY-ISWURRPUSA-N 2 2 349.316 4.214 20 0 EIADLP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000554890475 1041474936 /nfs/dbraw/zinc/47/49/36/1041474936.db2.gz YVZWTVBNWDUILN-QGZVFWFLSA-N 2 2 337.442 4.181 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cccc1OCC ZINC000538718800 1041487550 /nfs/dbraw/zinc/48/75/50/1041487550.db2.gz OKBDZLBUNZIYGN-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cccc1OCC ZINC000538718800 1041487557 /nfs/dbraw/zinc/48/75/57/1041487557.db2.gz OKBDZLBUNZIYGN-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cccc1OCC ZINC000538718800 1041487560 /nfs/dbraw/zinc/48/75/60/1041487560.db2.gz OKBDZLBUNZIYGN-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cccc1OCC ZINC000538718800 1041487565 /nfs/dbraw/zinc/48/75/65/1041487565.db2.gz OKBDZLBUNZIYGN-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CC[N@@H+](Cc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538719675 1041489308 /nfs/dbraw/zinc/48/93/08/1041489308.db2.gz AHXUOZWOFYZSTR-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538719675 1041489318 /nfs/dbraw/zinc/48/93/18/1041489318.db2.gz AHXUOZWOFYZSTR-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719497 1041491295 /nfs/dbraw/zinc/49/12/95/1041491295.db2.gz PFNMBUZFNAIXSR-QAPCUYQASA-N 2 2 335.561 4.353 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719497 1041491299 /nfs/dbraw/zinc/49/12/99/1041491299.db2.gz PFNMBUZFNAIXSR-QAPCUYQASA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719497 1041491302 /nfs/dbraw/zinc/49/13/02/1041491302.db2.gz PFNMBUZFNAIXSR-QAPCUYQASA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719497 1041491306 /nfs/dbraw/zinc/49/13/06/1041491306.db2.gz PFNMBUZFNAIXSR-QAPCUYQASA-N 2 2 335.561 4.353 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000480750012 1041506947 /nfs/dbraw/zinc/50/69/47/1041506947.db2.gz MDHJKBCWNIAHTN-ZWKOTPCHSA-N 2 2 335.451 4.201 20 0 EIADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554587 1041539393 /nfs/dbraw/zinc/53/93/93/1041539393.db2.gz QVWHOBURZDICBF-WMLDXEAASA-N 2 2 337.389 4.375 20 0 EIADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554587 1041539402 /nfs/dbraw/zinc/53/94/02/1041539402.db2.gz QVWHOBURZDICBF-WMLDXEAASA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000437081018 1041628306 /nfs/dbraw/zinc/62/83/06/1041628306.db2.gz GNEHNCDPBMYALT-OXFYSEKESA-N 2 2 346.490 4.282 20 0 EIADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201572 1041843884 /nfs/dbraw/zinc/84/38/84/1041843884.db2.gz RJMDEMNQDNUBCQ-MRXNPFEDSA-N 2 2 344.503 4.422 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464090798 1041865713 /nfs/dbraw/zinc/86/57/13/1041865713.db2.gz OWSHGZBBDHJAGO-PMACEKPBSA-N 2 2 344.543 4.048 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437791854 1041912400 /nfs/dbraw/zinc/91/24/00/1041912400.db2.gz HTYPVOCBVOQNKU-VCOUNFBDSA-N 2 2 337.511 4.185 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437791854 1041912415 /nfs/dbraw/zinc/91/24/15/1041912415.db2.gz HTYPVOCBVOQNKU-VCOUNFBDSA-N 2 2 337.511 4.185 20 0 EIADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438344020 1042145910 /nfs/dbraw/zinc/14/59/10/1042145910.db2.gz FAJQGGMRBRWWPC-UHFFFAOYSA-N 2 2 340.496 4.068 20 0 EIADLP CC[NH+]1CCC([NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541912657 1042168560 /nfs/dbraw/zinc/16/85/60/1042168560.db2.gz FODKIMQWQKEBQN-MRXNPFEDSA-N 2 2 346.462 4.183 20 0 EIADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841466 1042193011 /nfs/dbraw/zinc/19/30/11/1042193011.db2.gz XPHYZSPUYJAGTB-HKUYNNGSSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841466 1042193013 /nfs/dbraw/zinc/19/30/13/1042193013.db2.gz XPHYZSPUYJAGTB-HKUYNNGSSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841466 1042193018 /nfs/dbraw/zinc/19/30/18/1042193018.db2.gz XPHYZSPUYJAGTB-HKUYNNGSSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841466 1042193021 /nfs/dbraw/zinc/19/30/21/1042193021.db2.gz XPHYZSPUYJAGTB-HKUYNNGSSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294270 1042528195 /nfs/dbraw/zinc/52/81/95/1042528195.db2.gz SVMVVALVJIMJGG-VWKPWSFCSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294270 1042528200 /nfs/dbraw/zinc/52/82/00/1042528200.db2.gz SVMVVALVJIMJGG-VWKPWSFCSA-N 2 2 326.459 4.311 20 0 EIADLP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccncc2)cc1 ZINC001167963869 1042545986 /nfs/dbraw/zinc/54/59/86/1042545986.db2.gz GPSRNKNDBGZQSY-GLCCWIKHSA-N 2 2 347.506 4.166 20 0 EIADLP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccncc2)cc1 ZINC001167963869 1042545989 /nfs/dbraw/zinc/54/59/89/1042545989.db2.gz GPSRNKNDBGZQSY-GLCCWIKHSA-N 2 2 347.506 4.166 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCc3ccc4ccccc4c3)cc2)c[nH+]1 ZINC000518772763 1042680576 /nfs/dbraw/zinc/68/05/76/1042680576.db2.gz AJHYEIUIRLEXLU-UHFFFAOYSA-N 2 2 327.431 4.358 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000177896443 1042853994 /nfs/dbraw/zinc/85/39/94/1042853994.db2.gz ALLCGVXUNKWUSM-OAQYLSRUSA-N 2 2 331.463 4.444 20 0 EIADLP Clc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001168004589 1042930820 /nfs/dbraw/zinc/93/08/20/1042930820.db2.gz WCOKMUNHZVDDSV-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001168004589 1042930828 /nfs/dbraw/zinc/93/08/28/1042930828.db2.gz WCOKMUNHZVDDSV-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168004589 1042930835 /nfs/dbraw/zinc/93/08/35/1042930835.db2.gz WCOKMUNHZVDDSV-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168004589 1042930842 /nfs/dbraw/zinc/93/08/42/1042930842.db2.gz WCOKMUNHZVDDSV-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183413801 1043044646 /nfs/dbraw/zinc/04/46/46/1043044646.db2.gz YWIHGYPVAMQHLI-UHFFFAOYSA-N 2 2 347.462 4.396 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cc(F)ccc2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009859 1043121947 /nfs/dbraw/zinc/12/19/47/1043121947.db2.gz IIKJYHQXPMDESM-HOTGVXAUSA-N 2 2 344.449 4.496 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)s1 ZINC000347851412 1043218158 /nfs/dbraw/zinc/21/81/58/1043218158.db2.gz VOHHTQSEIVAMHA-UHFFFAOYSA-N 2 2 335.492 4.145 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)s1 ZINC000347851412 1043218168 /nfs/dbraw/zinc/21/81/68/1043218168.db2.gz VOHHTQSEIVAMHA-UHFFFAOYSA-N 2 2 335.492 4.145 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OCc1ccccc1 ZINC000427868016 1043241693 /nfs/dbraw/zinc/24/16/93/1043241693.db2.gz PWFKAAOTKCHARY-HKUYNNGSSA-N 2 2 347.462 4.128 20 0 EIADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347870095 1043268660 /nfs/dbraw/zinc/26/86/60/1043268660.db2.gz FZEVPSDBCOUWPX-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347870095 1043268665 /nfs/dbraw/zinc/26/86/65/1043268665.db2.gz FZEVPSDBCOUWPX-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP C[C@H](CCC1CC1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000186349526 1043270767 /nfs/dbraw/zinc/27/07/67/1043270767.db2.gz BOFXDBOMEXMKHV-QZTJIDSGSA-N 2 2 330.516 4.055 20 0 EIADLP c1cn(CCCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)c[nH+]1 ZINC000531684616 1043292655 /nfs/dbraw/zinc/29/26/55/1043292655.db2.gz MVGNYBLUKIIGEN-NRFANRHFSA-N 2 2 325.500 4.445 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3cccc4ncccc34)CC2)c[nH+]1 ZINC000639175877 1043294285 /nfs/dbraw/zinc/29/42/85/1043294285.db2.gz QNCLJVXWEAXYJW-UHFFFAOYSA-N 2 2 334.467 4.124 20 0 EIADLP C[C@@H]1CC([NH2+]C2(c3ccccn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012751 1043450654 /nfs/dbraw/zinc/45/06/54/1043450654.db2.gz DQUDZQOHZFMKAX-QZTJIDSGSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338796980 1043511547 /nfs/dbraw/zinc/51/15/47/1043511547.db2.gz WOACEQYOMIESBA-BRWVUGGUSA-N 2 2 327.472 4.117 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000442631804 1043784178 /nfs/dbraw/zinc/78/41/78/1043784178.db2.gz WGQKWPNQXMROSY-NVXWUHKLSA-N 2 2 337.389 4.218 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000442631806 1043788303 /nfs/dbraw/zinc/78/83/03/1043788303.db2.gz WGQKWPNQXMROSY-WBVHZDCISA-N 2 2 337.389 4.218 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442777036 1043829892 /nfs/dbraw/zinc/82/98/92/1043829892.db2.gz FMLHARASEHPQTM-FUHWJXTLSA-N 2 2 347.506 4.354 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000192162715 1043885679 /nfs/dbraw/zinc/88/56/79/1043885679.db2.gz KHIUQRHVNHCVHP-AWEZNQCLSA-N 2 2 327.378 4.310 20 0 EIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000443191525 1044078263 /nfs/dbraw/zinc/07/82/63/1044078263.db2.gz GNEHNCDPBMYALT-VPWXQRGCSA-N 2 2 346.490 4.282 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(C)(C)C ZINC000443193765 1044079765 /nfs/dbraw/zinc/07/97/65/1044079765.db2.gz NCWXCQVHMQWACG-WSTZPKSXSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(C)(C)C ZINC000443193765 1044079784 /nfs/dbraw/zinc/07/97/84/1044079784.db2.gz NCWXCQVHMQWACG-WSTZPKSXSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319508 1044306980 /nfs/dbraw/zinc/30/69/80/1044306980.db2.gz DJQVHCABDBLOTM-SJLPKXTDSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319508 1044306994 /nfs/dbraw/zinc/30/69/94/1044306994.db2.gz DJQVHCABDBLOTM-SJLPKXTDSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020854 1044403862 /nfs/dbraw/zinc/40/38/62/1044403862.db2.gz NXYIKSVZONJHTI-SHJAMOMRSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020854 1044403884 /nfs/dbraw/zinc/40/38/84/1044403884.db2.gz NXYIKSVZONJHTI-SHJAMOMRSA-N 2 2 336.479 4.151 20 0 EIADLP CC[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739482 1044455961 /nfs/dbraw/zinc/45/59/61/1044455961.db2.gz KIVWOQWTHSQSFK-SFHVURJKSA-N 2 2 325.481 4.104 20 0 EIADLP C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000675726825 1044459709 /nfs/dbraw/zinc/45/97/09/1044459709.db2.gz DDTOUMZARISAAI-SCLBCKFNSA-N 2 2 339.826 4.310 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919794 1044559901 /nfs/dbraw/zinc/55/99/01/1044559901.db2.gz JEOKUTNAGNHKDN-WBVHZDCISA-N 2 2 325.481 4.425 20 0 EIADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919199 1044560849 /nfs/dbraw/zinc/56/08/49/1044560849.db2.gz LFMVUOOBOZMSMX-XLIONFOSSA-N 2 2 349.478 4.453 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924334 1044566518 /nfs/dbraw/zinc/56/65/18/1044566518.db2.gz XOVXHTGTIHLTAD-PXNSSMCTSA-N 2 2 349.478 4.372 20 0 EIADLP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000543426838 1044577511 /nfs/dbraw/zinc/57/75/11/1044577511.db2.gz LREKCZBLCYGQKM-CYBMUJFWSA-N 2 2 345.368 4.183 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000676045685 1044624771 /nfs/dbraw/zinc/62/47/71/1044624771.db2.gz YQHLHHQOKXPBFG-SFHVURJKSA-N 2 2 343.833 4.286 20 0 EIADLP C[C@@H]1CC([NH2+]C(C)(C)c2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025313 1044647404 /nfs/dbraw/zinc/64/74/04/1044647404.db2.gz JIYBNMRSBPWCMS-QZTJIDSGSA-N 2 2 337.511 4.348 20 0 EIADLP Cc1cc(NC2CC[NH+](CC3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000734834736 1044694879 /nfs/dbraw/zinc/69/48/79/1044694879.db2.gz GLPGZDOLDZLZDV-UHFFFAOYSA-N 2 2 328.504 4.119 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1nc2ccc(F)cc2s1)C1CCCCC1 ZINC000428876016 1044806435 /nfs/dbraw/zinc/80/64/35/1044806435.db2.gz IQZPTEOYBIUIQT-UHFFFAOYSA-N 2 2 335.492 4.180 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1nc2ccc(F)cc2s1)C1CCCCC1 ZINC000428876016 1044806436 /nfs/dbraw/zinc/80/64/36/1044806436.db2.gz IQZPTEOYBIUIQT-UHFFFAOYSA-N 2 2 335.492 4.180 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766214560 1044869790 /nfs/dbraw/zinc/86/97/90/1044869790.db2.gz XKAMIWKVOXNHJW-PKOBYXMFSA-N 2 2 326.459 4.277 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766214560 1044869793 /nfs/dbraw/zinc/86/97/93/1044869793.db2.gz XKAMIWKVOXNHJW-PKOBYXMFSA-N 2 2 326.459 4.277 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000390577818 1044954892 /nfs/dbraw/zinc/95/48/92/1044954892.db2.gz DEQWIAPFUMJCPU-RTWAWAEBSA-N 2 2 349.522 4.349 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000390577818 1044954909 /nfs/dbraw/zinc/95/49/09/1044954909.db2.gz DEQWIAPFUMJCPU-RTWAWAEBSA-N 2 2 349.522 4.349 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912126 1044978412 /nfs/dbraw/zinc/97/84/12/1044978412.db2.gz DJYSTDCUTCZZFI-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912126 1044978426 /nfs/dbraw/zinc/97/84/26/1044978426.db2.gz DJYSTDCUTCZZFI-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000347912126 1044978432 /nfs/dbraw/zinc/97/84/32/1044978432.db2.gz DJYSTDCUTCZZFI-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000347912126 1044978446 /nfs/dbraw/zinc/97/84/46/1044978446.db2.gz DJYSTDCUTCZZFI-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000474469320 1045009647 /nfs/dbraw/zinc/00/96/47/1045009647.db2.gz CJSOPICWZRXCOW-QFIPXVFZSA-N 2 2 333.479 4.461 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237677071 1045391626 /nfs/dbraw/zinc/39/16/26/1045391626.db2.gz BXBDGBLGGQRTOG-MRXNPFEDSA-N 2 2 329.513 4.164 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237677071 1045391638 /nfs/dbraw/zinc/39/16/38/1045391638.db2.gz BXBDGBLGGQRTOG-MRXNPFEDSA-N 2 2 329.513 4.164 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cn1 ZINC000768094087 1045709344 /nfs/dbraw/zinc/70/93/44/1045709344.db2.gz TXBZOXCTVNEMBO-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCCCC2 ZINC001170005451 1045911793 /nfs/dbraw/zinc/91/17/93/1045911793.db2.gz WTFUPYHAMGDNIA-WOJBJXKFSA-N 2 2 339.483 4.090 20 0 EIADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473172 1045989350 /nfs/dbraw/zinc/98/93/50/1045989350.db2.gz LTOSNKWRJCOYJV-HNNXBMFYSA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473172 1045989359 /nfs/dbraw/zinc/98/93/59/1045989359.db2.gz LTOSNKWRJCOYJV-HNNXBMFYSA-N 2 2 344.446 4.216 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000769871188 1046098762 /nfs/dbraw/zinc/09/87/62/1046098762.db2.gz DAVRMRXHUPJODJ-CVEARBPZSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000769871188 1046098776 /nfs/dbraw/zinc/09/87/76/1046098776.db2.gz DAVRMRXHUPJODJ-CVEARBPZSA-N 2 2 329.488 4.107 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261724553 1046140587 /nfs/dbraw/zinc/14/05/87/1046140587.db2.gz NTTDESOSPXZYMO-IBGZPJMESA-N 2 2 329.513 4.104 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261724553 1046140602 /nfs/dbraw/zinc/14/06/02/1046140602.db2.gz NTTDESOSPXZYMO-IBGZPJMESA-N 2 2 329.513 4.104 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000162361683 1046190610 /nfs/dbraw/zinc/19/06/10/1046190610.db2.gz IXFOUNXKWDCACA-ZIAGYGMSSA-N 2 2 326.469 4.357 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000793526113 1046265544 /nfs/dbraw/zinc/26/55/44/1046265544.db2.gz XCSCTHUNBQQTRO-XLNTUCKNSA-N 2 2 341.499 4.088 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508691512 1046324766 /nfs/dbraw/zinc/32/47/66/1046324766.db2.gz NDWMYMGCXQOYFM-MRXNPFEDSA-N 2 2 331.891 4.145 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508691512 1046324778 /nfs/dbraw/zinc/32/47/78/1046324778.db2.gz NDWMYMGCXQOYFM-MRXNPFEDSA-N 2 2 331.891 4.145 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659507 1046609168 /nfs/dbraw/zinc/60/91/68/1046609168.db2.gz JRKWIGVBDIPQSL-LRDDRELGSA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659507 1046609179 /nfs/dbraw/zinc/60/91/79/1046609179.db2.gz JRKWIGVBDIPQSL-LRDDRELGSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659507 1046609192 /nfs/dbraw/zinc/60/91/92/1046609192.db2.gz JRKWIGVBDIPQSL-LRDDRELGSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C ZINC000536659507 1046609213 /nfs/dbraw/zinc/60/92/13/1046609213.db2.gz JRKWIGVBDIPQSL-LRDDRELGSA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658962 1046622023 /nfs/dbraw/zinc/62/20/23/1046622023.db2.gz WYTMBNIQZPCRSL-WFASDCNBSA-N 2 2 346.849 4.104 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658962 1046622024 /nfs/dbraw/zinc/62/20/24/1046622024.db2.gz WYTMBNIQZPCRSL-WFASDCNBSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658962 1046622039 /nfs/dbraw/zinc/62/20/39/1046622039.db2.gz WYTMBNIQZPCRSL-WFASDCNBSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658962 1046622052 /nfs/dbraw/zinc/62/20/52/1046622052.db2.gz WYTMBNIQZPCRSL-WFASDCNBSA-N 2 2 346.849 4.104 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C)ccc1OC ZINC000772444718 1046639225 /nfs/dbraw/zinc/63/92/25/1046639225.db2.gz MXYLTPAHTVCTGR-HKUYNNGSSA-N 2 2 329.488 4.356 20 0 EIADLP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(OC2CCCC2)c1 ZINC000127706381 1046716885 /nfs/dbraw/zinc/71/68/85/1046716885.db2.gz IVHSWEOHKQFEQN-UHFFFAOYSA-N 2 2 328.500 4.068 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cn1 ZINC000379631641 1046732525 /nfs/dbraw/zinc/73/25/25/1046732525.db2.gz RQNAXJMCCLRDPN-AHRSYUTCSA-N 2 2 341.474 4.315 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cn1 ZINC000379631641 1046732539 /nfs/dbraw/zinc/73/25/39/1046732539.db2.gz RQNAXJMCCLRDPN-AHRSYUTCSA-N 2 2 341.474 4.315 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643276 1046739070 /nfs/dbraw/zinc/73/90/70/1046739070.db2.gz FTIFXURXPROHPN-IMFGXOCKSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643276 1046739082 /nfs/dbraw/zinc/73/90/82/1046739082.db2.gz FTIFXURXPROHPN-IMFGXOCKSA-N 2 2 338.520 4.476 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459525734 1046753876 /nfs/dbraw/zinc/75/38/76/1046753876.db2.gz VRPXGWJXXPXNEN-KRWDZBQOSA-N 2 2 326.406 4.205 20 0 EIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000459649089 1046833672 /nfs/dbraw/zinc/83/36/72/1046833672.db2.gz IWCNXRNFDMLWCV-CQSZACIVSA-N 2 2 327.453 4.102 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CCC2 ZINC000537013258 1046894579 /nfs/dbraw/zinc/89/45/79/1046894579.db2.gz XBKBFDRFQBDJJN-SJLPKXTDSA-N 2 2 329.875 4.463 20 0 EIADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000537254110 1047061208 /nfs/dbraw/zinc/06/12/08/1047061208.db2.gz KIMDJGWUFMHYII-YOEHRIQHSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000537254110 1047061223 /nfs/dbraw/zinc/06/12/23/1047061223.db2.gz KIMDJGWUFMHYII-YOEHRIQHSA-N 2 2 337.389 4.375 20 0 EIADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000537297106 1047077886 /nfs/dbraw/zinc/07/78/86/1047077886.db2.gz OWUPBEDYEURLNM-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP CCOc1cccc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)oc21 ZINC000537294321 1047078358 /nfs/dbraw/zinc/07/83/58/1047078358.db2.gz BQKYCWCDKVWZKW-HNNXBMFYSA-N 2 2 327.428 4.159 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000537455066 1047244069 /nfs/dbraw/zinc/24/40/69/1047244069.db2.gz BAGBZEKHSSPBGN-GDBMZVCRSA-N 2 2 344.890 4.048 20 0 EIADLP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000788960652 1047335455 /nfs/dbraw/zinc/33/54/55/1047335455.db2.gz KQTMKBMQKNVZHX-UHFFFAOYSA-N 2 2 340.858 4.081 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000788987413 1047343435 /nfs/dbraw/zinc/34/34/35/1047343435.db2.gz LTRSTYUFTCWFQM-NRFANRHFSA-N 2 2 347.462 4.393 20 0 EIADLP c1cn(CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000129560975 1047431730 /nfs/dbraw/zinc/43/17/30/1047431730.db2.gz VMHQTVDPTBRJSJ-SFHVURJKSA-N 2 2 325.456 4.090 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556215435 1047566809 /nfs/dbraw/zinc/56/68/09/1047566809.db2.gz ZVMGHTBFAQSIIJ-LEOXJPRUSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556215435 1047566826 /nfs/dbraw/zinc/56/68/26/1047566826.db2.gz ZVMGHTBFAQSIIJ-LEOXJPRUSA-N 2 2 349.522 4.075 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000130431791 1047709306 /nfs/dbraw/zinc/70/93/06/1047709306.db2.gz DCGJUOUPXCASCS-VXKWHMMOSA-N 2 2 345.490 4.400 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000130454128 1047710734 /nfs/dbraw/zinc/71/07/34/1047710734.db2.gz ZDNLAJMFMULPFZ-FGZHOGPDSA-N 2 2 331.463 4.357 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000130465842 1047711716 /nfs/dbraw/zinc/71/17/16/1047711716.db2.gz SLBLEGNCCVZYCP-VXKWHMMOSA-N 2 2 331.463 4.357 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000130465612 1047712601 /nfs/dbraw/zinc/71/26/01/1047712601.db2.gz SLBLEGNCCVZYCP-YADHBBJMSA-N 2 2 331.463 4.357 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000131433017 1047925352 /nfs/dbraw/zinc/92/53/52/1047925352.db2.gz NYOMFALBNKPOKZ-MRXNPFEDSA-N 2 2 340.496 4.316 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131433017 1047925375 /nfs/dbraw/zinc/92/53/75/1047925375.db2.gz NYOMFALBNKPOKZ-MRXNPFEDSA-N 2 2 340.496 4.316 20 0 EIADLP CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000824903208 1047984405 /nfs/dbraw/zinc/98/44/05/1047984405.db2.gz BLSFRINTGUUMEF-QGZVFWFLSA-N 2 2 345.531 4.168 20 0 EIADLP CC(C)C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccn1 ZINC000132130765 1048208141 /nfs/dbraw/zinc/20/81/41/1048208141.db2.gz UNKFRLJWKPXYSB-NRFANRHFSA-N 2 2 348.494 4.246 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)cn1 ZINC000815561715 1048509990 /nfs/dbraw/zinc/50/99/90/1048509990.db2.gz NZRQNUMGLVWKEP-OAHLLOKOSA-N 2 2 332.451 4.304 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170598370 1048661581 /nfs/dbraw/zinc/66/15/81/1048661581.db2.gz HPROUNSASMNFEP-SFHVURJKSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170598370 1048661589 /nfs/dbraw/zinc/66/15/89/1048661589.db2.gz HPROUNSASMNFEP-SFHVURJKSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001170598370 1048661604 /nfs/dbraw/zinc/66/16/04/1048661604.db2.gz HPROUNSASMNFEP-SFHVURJKSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001170598370 1048661609 /nfs/dbraw/zinc/66/16/09/1048661609.db2.gz HPROUNSASMNFEP-SFHVURJKSA-N 2 2 334.552 4.288 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000076000872 1048834462 /nfs/dbraw/zinc/83/44/62/1048834462.db2.gz XPPIQCCUVHFTCX-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000076000872 1048834465 /nfs/dbraw/zinc/83/44/65/1048834465.db2.gz XPPIQCCUVHFTCX-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000076003077 1048834982 /nfs/dbraw/zinc/83/49/82/1048834982.db2.gz DFENAYZJWVUGIN-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000076003077 1048834986 /nfs/dbraw/zinc/83/49/86/1048834986.db2.gz DFENAYZJWVUGIN-OAHLLOKOSA-N 2 2 347.890 4.159 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000135827908 1049276676 /nfs/dbraw/zinc/27/66/76/1049276676.db2.gz UUDRCQVMVGJEMT-UHFFFAOYSA-N 2 2 345.712 4.065 20 0 EIADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000811825712 1049299708 /nfs/dbraw/zinc/29/97/08/1049299708.db2.gz MSAOFYUFCDANEZ-UHFFFAOYSA-N 2 2 343.434 4.353 20 0 EIADLP c1cc2c(cccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000282779691 1049469173 /nfs/dbraw/zinc/46/91/73/1049469173.db2.gz QFHFXYDPRJGFPQ-KRWDZBQOSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2c(cccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000282779691 1049469185 /nfs/dbraw/zinc/46/91/85/1049469185.db2.gz QFHFXYDPRJGFPQ-KRWDZBQOSA-N 2 2 334.467 4.080 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820805063 1049551263 /nfs/dbraw/zinc/55/12/63/1049551263.db2.gz DUYFHDXYCOEPHX-FQEVSTJZSA-N 2 2 326.484 4.336 20 0 EIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3cccc4sccc43)c2)C1 ZINC001171378690 1049563996 /nfs/dbraw/zinc/56/39/96/1049563996.db2.gz JCDIDFPFKUHHMB-QGZVFWFLSA-N 2 2 337.492 4.046 20 0 EIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3cccc4sccc43)c2)C1 ZINC001171378690 1049564011 /nfs/dbraw/zinc/56/40/11/1049564011.db2.gz JCDIDFPFKUHHMB-QGZVFWFLSA-N 2 2 337.492 4.046 20 0 EIADLP CCc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000812823253 1049586707 /nfs/dbraw/zinc/58/67/07/1049586707.db2.gz FPLUDTTVDLDRTI-UHFFFAOYSA-N 2 2 343.540 4.135 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000812823827 1049586994 /nfs/dbraw/zinc/58/69/94/1049586994.db2.gz KKGDZCLFXDKRTF-UHFFFAOYSA-N 2 2 329.532 4.281 20 0 EIADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812826568 1049587488 /nfs/dbraw/zinc/58/74/88/1049587488.db2.gz QODIHJUIWXSXIJ-ZWKOTPCHSA-N 2 2 329.532 4.137 20 0 EIADLP CC(C)CSCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812839852 1049605512 /nfs/dbraw/zinc/60/55/12/1049605512.db2.gz LAPQHHQXEMLSAU-UHFFFAOYSA-N 2 2 349.588 4.090 20 0 EIADLP Cc1ccc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000237723451 1049724873 /nfs/dbraw/zinc/72/48/73/1049724873.db2.gz AFHRTRBPGCUAPY-UHFFFAOYSA-N 2 2 347.462 4.409 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569951 1049745962 /nfs/dbraw/zinc/74/59/62/1049745962.db2.gz OSRABTSICUEUBM-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569951 1049745970 /nfs/dbraw/zinc/74/59/70/1049745970.db2.gz OSRABTSICUEUBM-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569951 1049745983 /nfs/dbraw/zinc/74/59/83/1049745983.db2.gz OSRABTSICUEUBM-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000081569951 1049745995 /nfs/dbraw/zinc/74/59/95/1049745995.db2.gz OSRABTSICUEUBM-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644707 1049780567 /nfs/dbraw/zinc/78/05/67/1049780567.db2.gz KSOKFXCMPWTRNG-BZOOQXSSSA-N 2 2 339.321 4.015 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccnc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171971714 1049834543 /nfs/dbraw/zinc/83/45/43/1049834543.db2.gz JLMWXEDAOYHJMV-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccnc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171971714 1049834544 /nfs/dbraw/zinc/83/45/44/1049834544.db2.gz JLMWXEDAOYHJMV-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001171973640 1049835902 /nfs/dbraw/zinc/83/59/02/1049835902.db2.gz MBVJSEJKLQWUMX-UKRRQHHQSA-N 2 2 337.389 4.173 20 0 EIADLP C[C@]1(F)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069953 1049853546 /nfs/dbraw/zinc/85/35/46/1049853546.db2.gz WEWPZKPHEHJIPN-ZPAWYTMASA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069953 1049853551 /nfs/dbraw/zinc/85/35/51/1049853551.db2.gz WEWPZKPHEHJIPN-ZPAWYTMASA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069953 1049853555 /nfs/dbraw/zinc/85/35/55/1049853555.db2.gz WEWPZKPHEHJIPN-ZPAWYTMASA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069953 1049853556 /nfs/dbraw/zinc/85/35/56/1049853556.db2.gz WEWPZKPHEHJIPN-ZPAWYTMASA-N 2 2 348.481 4.344 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3c(Cl)cccc3C2)cc1 ZINC001171033277 1049877719 /nfs/dbraw/zinc/87/77/19/1049877719.db2.gz MIZLBNBUSYVBLX-QGZVFWFLSA-N 2 2 337.854 4.392 20 0 EIADLP CC[C@@H](C)OCC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327956 1049886259 /nfs/dbraw/zinc/88/62/59/1049886259.db2.gz AENGEPFONOVMPI-RBUKOAKNSA-N 2 2 332.532 4.177 20 0 EIADLP CC[C@@H](C)OCC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327956 1049886261 /nfs/dbraw/zinc/88/62/61/1049886261.db2.gz AENGEPFONOVMPI-RBUKOAKNSA-N 2 2 332.532 4.177 20 0 EIADLP CC(C)COCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172454043 1049915695 /nfs/dbraw/zinc/91/56/95/1049915695.db2.gz IJYVYUNAIQHVQW-VLCRHTCISA-N 2 2 340.511 4.469 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[NH+]1CCCCC1 ZINC001172563984 1049934744 /nfs/dbraw/zinc/93/47/44/1049934744.db2.gz ABGIBMBITUCNKL-ZDUSSCGKSA-N 2 2 330.850 4.015 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172660802 1049959552 /nfs/dbraw/zinc/95/95/52/1049959552.db2.gz YDLAQKPVMKOIBC-UHFFFAOYSA-N 2 2 327.472 4.040 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172660802 1049959557 /nfs/dbraw/zinc/95/95/57/1049959557.db2.gz YDLAQKPVMKOIBC-UHFFFAOYSA-N 2 2 327.472 4.040 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246940919 1050006416 /nfs/dbraw/zinc/00/64/16/1050006416.db2.gz HQWWCOATECSGQT-BNDYYXHWSA-N 2 2 329.532 4.096 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246940919 1050006422 /nfs/dbraw/zinc/00/64/22/1050006422.db2.gz HQWWCOATECSGQT-BNDYYXHWSA-N 2 2 329.532 4.096 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC001177222029 1050169276 /nfs/dbraw/zinc/16/92/76/1050169276.db2.gz FPCNPIKRTRFVBK-LEWJYISDSA-N 2 2 344.543 4.021 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001172874010 1050214157 /nfs/dbraw/zinc/21/41/57/1050214157.db2.gz ZLEDFLZFNYDTIX-HNNXBMFYSA-N 2 2 338.898 4.360 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](c2ccccc2)C2CC2)[nH+]1 ZINC000091283305 1050246410 /nfs/dbraw/zinc/24/64/10/1050246410.db2.gz VEXNAFRUNHTZOT-JOCHJYFZSA-N 2 2 331.463 4.215 20 0 EIADLP Cc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000091284339 1050246717 /nfs/dbraw/zinc/24/67/17/1050246717.db2.gz QRGPQHFKWCXHIN-QFIPXVFZSA-N 2 2 331.463 4.481 20 0 EIADLP CCC1(CC)CCC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001177924980 1050329422 /nfs/dbraw/zinc/32/94/22/1050329422.db2.gz TUOYAEJNJYORRW-UHFFFAOYSA-N 2 2 328.544 4.424 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173551663 1050487608 /nfs/dbraw/zinc/48/76/08/1050487608.db2.gz UQGOASXYAXMGKB-DDUZABMNSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173551663 1050487614 /nfs/dbraw/zinc/48/76/14/1050487614.db2.gz UQGOASXYAXMGKB-DDUZABMNSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001173551663 1050487626 /nfs/dbraw/zinc/48/76/26/1050487626.db2.gz UQGOASXYAXMGKB-DDUZABMNSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001173551663 1050487632 /nfs/dbraw/zinc/48/76/32/1050487632.db2.gz UQGOASXYAXMGKB-DDUZABMNSA-N 2 2 341.326 4.341 20 0 EIADLP c1cn(C2CC[NH+](C3CCC4(CCc5ccccc54)CC3)CC2)c[nH+]1 ZINC001173690726 1050544151 /nfs/dbraw/zinc/54/41/51/1050544151.db2.gz ZFZJUVPZPXUFPH-UHFFFAOYSA-N 2 2 335.495 4.347 20 0 EIADLP CS[C@H]1CCC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770308 1050550884 /nfs/dbraw/zinc/55/08/84/1050550884.db2.gz YXKKWJXJQJDHDH-MOPGFXCFSA-N 2 2 332.557 4.305 20 0 EIADLP CS[C@H]1CCC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770308 1050550893 /nfs/dbraw/zinc/55/08/93/1050550893.db2.gz YXKKWJXJQJDHDH-MOPGFXCFSA-N 2 2 332.557 4.305 20 0 EIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001178774803 1050562915 /nfs/dbraw/zinc/56/29/15/1050562915.db2.gz MGEGGDWXRVLHBY-IBGZPJMESA-N 2 2 330.516 4.000 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001179339170 1050679152 /nfs/dbraw/zinc/67/91/52/1050679152.db2.gz XPNXEMVAVPJFNS-AEFFLSMTSA-N 2 2 343.540 4.124 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001179339170 1050679161 /nfs/dbraw/zinc/67/91/61/1050679161.db2.gz XPNXEMVAVPJFNS-AEFFLSMTSA-N 2 2 343.540 4.124 20 0 EIADLP Cc1cc(C)c(/C=C\C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)c(C)c1 ZINC001179636622 1050744987 /nfs/dbraw/zinc/74/49/87/1050744987.db2.gz IYFKWWRIEYUVCU-QZQRZDCMSA-N 2 2 337.511 4.303 20 0 EIADLP C[N@@H+]1CCCC[C@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001179730279 1050763745 /nfs/dbraw/zinc/76/37/45/1050763745.db2.gz VDDRUFUGXLJKSB-FQEVSTJZSA-N 2 2 344.449 4.171 20 0 EIADLP C[N@H+]1CCCC[C@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001179730279 1050763758 /nfs/dbraw/zinc/76/37/58/1050763758.db2.gz VDDRUFUGXLJKSB-FQEVSTJZSA-N 2 2 344.449 4.171 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@@H]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001179817098 1050784741 /nfs/dbraw/zinc/78/47/41/1050784741.db2.gz NUSAOKGVRUBSOP-PCCBWWKXSA-N 2 2 326.528 4.455 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@@H]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001179817098 1050784755 /nfs/dbraw/zinc/78/47/55/1050784755.db2.gz NUSAOKGVRUBSOP-PCCBWWKXSA-N 2 2 326.528 4.455 20 0 EIADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001181195909 1051177489 /nfs/dbraw/zinc/17/74/89/1051177489.db2.gz GBSBSVJTFPKOOT-RTWAWAEBSA-N 2 2 326.528 4.426 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001181383388 1051214953 /nfs/dbraw/zinc/21/49/53/1051214953.db2.gz SUEHXYQRDXBDIX-NQIIRXRSSA-N 2 2 340.486 4.401 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001181383388 1051214963 /nfs/dbraw/zinc/21/49/63/1051214963.db2.gz SUEHXYQRDXBDIX-NQIIRXRSSA-N 2 2 340.486 4.401 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000153745446 1051222090 /nfs/dbraw/zinc/22/20/90/1051222090.db2.gz KXFVSXHUMYSUHK-HRCADAONSA-N 2 2 343.540 4.395 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000153745446 1051222106 /nfs/dbraw/zinc/22/21/06/1051222106.db2.gz KXFVSXHUMYSUHK-HRCADAONSA-N 2 2 343.540 4.395 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC3 ZINC001181436707 1051237711 /nfs/dbraw/zinc/23/77/11/1051237711.db2.gz YXQNFEGTAQJPSS-HRAATJIYSA-N 2 2 339.527 4.044 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC3 ZINC001181436707 1051237719 /nfs/dbraw/zinc/23/77/19/1051237719.db2.gz YXQNFEGTAQJPSS-HRAATJIYSA-N 2 2 339.527 4.044 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC001181913441 1051350851 /nfs/dbraw/zinc/35/08/51/1051350851.db2.gz PTHFEXRZLQOLHP-VXKWHMMOSA-N 2 2 334.507 4.434 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC001181913441 1051350859 /nfs/dbraw/zinc/35/08/59/1051350859.db2.gz PTHFEXRZLQOLHP-VXKWHMMOSA-N 2 2 334.507 4.434 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC001191220787 1051397910 /nfs/dbraw/zinc/39/79/10/1051397910.db2.gz BZXDSXNJDPFYGM-AVRDEDQJSA-N 2 2 331.463 4.498 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC001191220787 1051397920 /nfs/dbraw/zinc/39/79/20/1051397920.db2.gz BZXDSXNJDPFYGM-AVRDEDQJSA-N 2 2 331.463 4.498 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000157516477 1051646131 /nfs/dbraw/zinc/64/61/31/1051646131.db2.gz OWSVJNIFXMPEDL-HNNXBMFYSA-N 2 2 334.479 4.282 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182635219 1051653488 /nfs/dbraw/zinc/65/34/88/1051653488.db2.gz YDSQERPQEUHVMW-YTQUADARSA-N 2 2 332.557 4.336 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182635219 1051653503 /nfs/dbraw/zinc/65/35/03/1051653503.db2.gz YDSQERPQEUHVMW-YTQUADARSA-N 2 2 332.557 4.336 20 0 EIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC001182845779 1051716407 /nfs/dbraw/zinc/71/64/07/1051716407.db2.gz WVHHDKHHISBSTN-KKSFZXQISA-N 2 2 327.516 4.415 20 0 EIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845448 1051716450 /nfs/dbraw/zinc/71/64/50/1051716450.db2.gz TZUOMGSEHBWAPT-CJNGLKHVSA-N 2 2 328.422 4.271 20 0 EIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845448 1051716466 /nfs/dbraw/zinc/71/64/66/1051716466.db2.gz TZUOMGSEHBWAPT-CJNGLKHVSA-N 2 2 328.422 4.271 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccccn1 ZINC000158679333 1051775386 /nfs/dbraw/zinc/77/53/86/1051775386.db2.gz CLAKLOBTCIYXGI-QFIPXVFZSA-N 2 2 337.511 4.485 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccccn1 ZINC000158679458 1051775679 /nfs/dbraw/zinc/77/56/79/1051775679.db2.gz CLAKLOBTCIYXGI-JOCHJYFZSA-N 2 2 337.511 4.485 20 0 EIADLP CC[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)cc2)CC1 ZINC001175780540 1051782542 /nfs/dbraw/zinc/78/25/42/1051782542.db2.gz HVWVKUPGQDBYTQ-UHFFFAOYSA-N 2 2 332.451 4.120 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC001183238381 1051809020 /nfs/dbraw/zinc/80/90/20/1051809020.db2.gz LUIJJEZFEWKZMM-UHFFFAOYSA-N 2 2 338.898 4.362 20 0 EIADLP CCCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000621331264 1051829662 /nfs/dbraw/zinc/82/96/62/1051829662.db2.gz YDXHXYSRRJMCNR-UHFFFAOYSA-N 2 2 329.444 4.315 20 0 EIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC001183498130 1051855421 /nfs/dbraw/zinc/85/54/21/1051855421.db2.gz CQJKSHXUNWEBQV-QXCFHYIPSA-N 2 2 337.492 4.468 20 0 EIADLP Cc1oc2ccccc2c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183500064 1051855551 /nfs/dbraw/zinc/85/55/51/1051855551.db2.gz OPSVWRLCRXDVII-FQEVSTJZSA-N 2 2 331.419 4.469 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106075 1051950261 /nfs/dbraw/zinc/95/02/61/1051950261.db2.gz KCPSAWVDUUYKHO-OUFMZXHOSA-N 2 2 334.507 4.433 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106075 1051950275 /nfs/dbraw/zinc/95/02/75/1051950275.db2.gz KCPSAWVDUUYKHO-OUFMZXHOSA-N 2 2 334.507 4.433 20 0 EIADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184266127 1051980408 /nfs/dbraw/zinc/98/04/08/1051980408.db2.gz YYDUHJACJCVJBB-KRWDZBQOSA-N 2 2 342.449 4.348 20 0 EIADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184266127 1051980423 /nfs/dbraw/zinc/98/04/23/1051980423.db2.gz YYDUHJACJCVJBB-KRWDZBQOSA-N 2 2 342.449 4.348 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000166121694 1052083564 /nfs/dbraw/zinc/08/35/64/1052083564.db2.gz JTEGFIBDQJVBDS-QFIPXVFZSA-N 2 2 331.463 4.407 20 0 EIADLP Fc1ccc(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001176566901 1052132784 /nfs/dbraw/zinc/13/27/84/1052132784.db2.gz FIOMYQNFXQDZOU-UHFFFAOYSA-N 2 2 338.470 4.413 20 0 EIADLP CCC[N@H+](Cc1ncccc1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891619 1052202306 /nfs/dbraw/zinc/20/23/06/1052202306.db2.gz KKMUCOPBYFCEPB-UHFFFAOYSA-N 2 2 337.511 4.267 20 0 EIADLP CCC[N@@H+](Cc1ncccc1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891619 1052202315 /nfs/dbraw/zinc/20/23/15/1052202315.db2.gz KKMUCOPBYFCEPB-UHFFFAOYSA-N 2 2 337.511 4.267 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932920 1052694081 /nfs/dbraw/zinc/69/40/81/1052694081.db2.gz FYPCCYAEKTXVSG-OPAMFIHVSA-N 2 2 349.453 4.484 20 0 EIADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4scnc43)C2)c1 ZINC000623880206 1052828852 /nfs/dbraw/zinc/82/88/52/1052828852.db2.gz BHXUTHCZKPWAQS-HOCLYGCPSA-N 2 2 347.553 4.084 20 0 EIADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCc4scnc43)C2)c1 ZINC000623880206 1052828858 /nfs/dbraw/zinc/82/88/58/1052828858.db2.gz BHXUTHCZKPWAQS-HOCLYGCPSA-N 2 2 347.553 4.084 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000623898806 1052831691 /nfs/dbraw/zinc/83/16/91/1052831691.db2.gz RKQNOGNWMVQUOP-LZWOXQAQSA-N 2 2 335.542 4.247 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000623898806 1052831694 /nfs/dbraw/zinc/83/16/94/1052831694.db2.gz RKQNOGNWMVQUOP-LZWOXQAQSA-N 2 2 335.542 4.247 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124100 1052868673 /nfs/dbraw/zinc/86/86/73/1052868673.db2.gz XFYSWAWCGDUOOD-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124100 1052868677 /nfs/dbraw/zinc/86/86/77/1052868677.db2.gz XFYSWAWCGDUOOD-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000194845816 1053047184 /nfs/dbraw/zinc/04/71/84/1053047184.db2.gz ZXNJFGKEXLKKLE-NRFANRHFSA-N 2 2 347.462 4.107 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850424206 1053199242 /nfs/dbraw/zinc/19/92/42/1053199242.db2.gz GXGKSYNOCNDVQL-KRWDZBQOSA-N 2 2 347.462 4.107 20 0 EIADLP CCC(CC)[N@H+](C[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001202513170 1053255525 /nfs/dbraw/zinc/25/55/25/1053255525.db2.gz OBQVFNDTMLALQY-FQEVSTJZSA-N 2 2 344.543 4.178 20 0 EIADLP CCC(CC)[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001202513170 1053255542 /nfs/dbraw/zinc/25/55/42/1053255542.db2.gz OBQVFNDTMLALQY-FQEVSTJZSA-N 2 2 344.543 4.178 20 0 EIADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921511815 1053522393 /nfs/dbraw/zinc/52/23/93/1053522393.db2.gz HBVZVYZQIZIEDT-UHFFFAOYSA-N 2 2 329.488 4.104 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404848 1053536607 /nfs/dbraw/zinc/53/66/07/1053536607.db2.gz NKTMESIWURQIRG-AVRDEDQJSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404848 1053536619 /nfs/dbraw/zinc/53/66/19/1053536619.db2.gz NKTMESIWURQIRG-AVRDEDQJSA-N 2 2 345.490 4.235 20 0 EIADLP CC(C)(C)OC1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000865698188 1053574590 /nfs/dbraw/zinc/57/45/90/1053574590.db2.gz KADWWKGWPJMZRR-UHFFFAOYSA-N 2 2 333.501 4.150 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852782573 1053612721 /nfs/dbraw/zinc/61/27/21/1053612721.db2.gz VLWUYCZDGRFRIK-KRWDZBQOSA-N 2 2 347.462 4.357 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2c(ccnc2Cl)o1 ZINC000866282853 1053676356 /nfs/dbraw/zinc/67/63/56/1053676356.db2.gz RQLSWMWBNUSGDZ-LBPRGKRZSA-N 2 2 330.819 4.029 20 0 EIADLP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000866310396 1053686343 /nfs/dbraw/zinc/68/63/43/1053686343.db2.gz UOLZYQSXJFPHBK-RBUKOAKNSA-N 2 2 337.511 4.136 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866341956 1053697266 /nfs/dbraw/zinc/69/72/66/1053697266.db2.gz CNANVFHTGXKKND-YPMHNXCESA-N 2 2 341.402 4.161 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866341952 1053697416 /nfs/dbraw/zinc/69/74/16/1053697416.db2.gz CNANVFHTGXKKND-DGCLKSJQSA-N 2 2 341.402 4.161 20 0 EIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1OC(F)F ZINC001168553873 1053895369 /nfs/dbraw/zinc/89/53/69/1053895369.db2.gz XRJASBDJSZXRKF-DGCLKSJQSA-N 2 2 332.822 4.076 20 0 EIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(Cl)ccc1OC(F)F ZINC001168553873 1053895370 /nfs/dbraw/zinc/89/53/70/1053895370.db2.gz XRJASBDJSZXRKF-DGCLKSJQSA-N 2 2 332.822 4.076 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197376493 1053897597 /nfs/dbraw/zinc/89/75/97/1053897597.db2.gz DXPZOWVKZRIOLN-KBPBESRZSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197376493 1053897598 /nfs/dbraw/zinc/89/75/98/1053897598.db2.gz DXPZOWVKZRIOLN-KBPBESRZSA-N 2 2 333.838 4.146 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000122363070 1053951461 /nfs/dbraw/zinc/95/14/61/1053951461.db2.gz BNXCQJTYZQOOPH-MRXNPFEDSA-N 2 2 341.499 4.228 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001198790456 1054251210 /nfs/dbraw/zinc/25/12/10/1054251210.db2.gz HYXOSBHXPODHFR-QGZVFWFLSA-N 2 2 339.483 4.048 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001198790456 1054251223 /nfs/dbraw/zinc/25/12/23/1054251223.db2.gz HYXOSBHXPODHFR-QGZVFWFLSA-N 2 2 339.483 4.048 20 0 EIADLP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790464 1054251540 /nfs/dbraw/zinc/25/15/40/1054251540.db2.gz IIQLBCZYAQZAQW-GOSISDBHSA-N 2 2 340.515 4.084 20 0 EIADLP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790464 1054251559 /nfs/dbraw/zinc/25/15/59/1054251559.db2.gz IIQLBCZYAQZAQW-GOSISDBHSA-N 2 2 340.515 4.084 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001198791270 1054258809 /nfs/dbraw/zinc/25/88/09/1054258809.db2.gz URJOIJPUMZVTHT-GJZGRUSLSA-N 2 2 325.447 4.253 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001198791270 1054258827 /nfs/dbraw/zinc/25/88/27/1054258827.db2.gz URJOIJPUMZVTHT-GJZGRUSLSA-N 2 2 325.447 4.253 20 0 EIADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC001198901021 1054292568 /nfs/dbraw/zinc/29/25/68/1054292568.db2.gz OGUMCLBCHZDMQR-PKTZIBPZSA-N 2 2 334.507 4.361 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1ccc(OC(F)F)cc1F)C1CCCCC1 ZINC001198918504 1054304759 /nfs/dbraw/zinc/30/47/59/1054304759.db2.gz KXWUKRAQHWXLOV-UHFFFAOYSA-N 2 2 344.421 4.171 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1ccc(OC(F)F)cc1F)C1CCCCC1 ZINC001198918504 1054304774 /nfs/dbraw/zinc/30/47/74/1054304774.db2.gz KXWUKRAQHWXLOV-UHFFFAOYSA-N 2 2 344.421 4.171 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001198908773 1054312284 /nfs/dbraw/zinc/31/22/84/1054312284.db2.gz ZSWKMZDYXGPNKM-GOSISDBHSA-N 2 2 346.421 4.331 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001198908773 1054312306 /nfs/dbraw/zinc/31/23/06/1054312306.db2.gz ZSWKMZDYXGPNKM-GOSISDBHSA-N 2 2 346.421 4.331 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000872033562 1054349072 /nfs/dbraw/zinc/34/90/72/1054349072.db2.gz FHAKXULSEFOUCD-PKOBYXMFSA-N 2 2 330.516 4.197 20 0 EIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872072843 1054378068 /nfs/dbraw/zinc/37/80/68/1054378068.db2.gz KOKKZSVLSHBPDS-OAHLLOKOSA-N 2 2 345.874 4.107 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858103912 1054416705 /nfs/dbraw/zinc/41/67/05/1054416705.db2.gz ZIAGBQKRIOZHTN-NQERJWCQSA-N 2 2 327.516 4.064 20 0 EIADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001199640773 1054437326 /nfs/dbraw/zinc/43/73/26/1054437326.db2.gz XHXNWVPUAURPDT-BHDDXSALSA-N 2 2 344.543 4.253 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3c2cccc3F)C2CCCC2)CC1 ZINC001137060361 1054450138 /nfs/dbraw/zinc/45/01/38/1054450138.db2.gz PHNSFGQRADYRQW-UHFFFAOYSA-N 2 2 329.463 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3c2cccc3F)C2CCCC2)CC1 ZINC001137060361 1054450139 /nfs/dbraw/zinc/45/01/39/1054450139.db2.gz PHNSFGQRADYRQW-UHFFFAOYSA-N 2 2 329.463 4.146 20 0 EIADLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc2cccnc12 ZINC001199752192 1054461429 /nfs/dbraw/zinc/46/14/29/1054461429.db2.gz ZTNTWFMHWREEBP-UHFFFAOYSA-N 2 2 328.419 4.019 20 0 EIADLP C[N@H+](Cc1ccc(N2CCCC2)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137072061 1054556501 /nfs/dbraw/zinc/55/65/01/1054556501.db2.gz POVZJUKDAXXCET-UHFFFAOYSA-N 2 2 345.531 4.109 20 0 EIADLP C[N@@H+](Cc1ccc(N2CCCC2)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137072061 1054556518 /nfs/dbraw/zinc/55/65/18/1054556518.db2.gz POVZJUKDAXXCET-UHFFFAOYSA-N 2 2 345.531 4.109 20 0 EIADLP Clc1ccccc1COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000061030886 1054738530 /nfs/dbraw/zinc/73/85/30/1054738530.db2.gz IJXCNSUFZVSYQK-UHFFFAOYSA-N 2 2 344.886 4.104 20 0 EIADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560309 1054848931 /nfs/dbraw/zinc/84/89/31/1054848931.db2.gz ROJUEPOAMLGANV-NRSPTQNISA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560309 1054848933 /nfs/dbraw/zinc/84/89/33/1054848933.db2.gz ROJUEPOAMLGANV-NRSPTQNISA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560309 1054848934 /nfs/dbraw/zinc/84/89/34/1054848934.db2.gz ROJUEPOAMLGANV-NRSPTQNISA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560309 1054848936 /nfs/dbraw/zinc/84/89/36/1054848936.db2.gz ROJUEPOAMLGANV-NRSPTQNISA-N 2 2 329.532 4.052 20 0 EIADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3Cl)CCCCC2)n1C ZINC001201778467 1054918765 /nfs/dbraw/zinc/91/87/65/1054918765.db2.gz TZPOEOFURFWGPC-UHFFFAOYSA-N 2 2 331.891 4.374 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974686 1054954165 /nfs/dbraw/zinc/95/41/65/1054954165.db2.gz ZFPYLCQZMIBVAG-PCCBWWKXSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974686 1054954169 /nfs/dbraw/zinc/95/41/69/1054954169.db2.gz ZFPYLCQZMIBVAG-PCCBWWKXSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974686 1054954181 /nfs/dbraw/zinc/95/41/81/1054954181.db2.gz ZFPYLCQZMIBVAG-PCCBWWKXSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974686 1054954193 /nfs/dbraw/zinc/95/41/93/1054954193.db2.gz ZFPYLCQZMIBVAG-PCCBWWKXSA-N 2 2 341.543 4.218 20 0 EIADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876932207 1054986308 /nfs/dbraw/zinc/98/63/08/1054986308.db2.gz GWBVCTJMFLPRLA-AWEZNQCLSA-N 2 2 349.931 4.318 20 0 EIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc(Cl)cs2)C1 ZINC000876932207 1054986317 /nfs/dbraw/zinc/98/63/17/1054986317.db2.gz GWBVCTJMFLPRLA-AWEZNQCLSA-N 2 2 349.931 4.318 20 0 EIADLP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033417 /nfs/dbraw/zinc/03/34/17/1055033417.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033433 /nfs/dbraw/zinc/03/34/33/1055033433.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033435 /nfs/dbraw/zinc/03/34/35/1055033435.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033453 /nfs/dbraw/zinc/03/34/53/1055033453.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001202546226 1055043874 /nfs/dbraw/zinc/04/38/74/1055043874.db2.gz MMARYKNRZOTZSN-IRXDYDNUSA-N 2 2 337.854 4.419 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC2CCCC2)CC3)cs1 ZINC001202138903 1055048514 /nfs/dbraw/zinc/04/85/14/1055048514.db2.gz KZFFXQKQAYBTIE-UHFFFAOYSA-N 2 2 333.545 4.072 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC2CCCC2)CC3)cs1 ZINC001202138903 1055048529 /nfs/dbraw/zinc/04/85/29/1055048529.db2.gz KZFFXQKQAYBTIE-UHFFFAOYSA-N 2 2 333.545 4.072 20 0 EIADLP C[NH+](C)C1CCN(c2ccc(NC3CCCCCCC3)[nH+]c2)CC1 ZINC000776250383 1055055791 /nfs/dbraw/zinc/05/57/91/1055055791.db2.gz HTIMGGVBHLEMBW-UHFFFAOYSA-N 2 2 330.520 4.137 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CCCC1 ZINC001202387000 1055145664 /nfs/dbraw/zinc/14/56/64/1055145664.db2.gz BASJTENDVKTQAA-OAHLLOKOSA-N 2 2 347.890 4.284 20 0 EIADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347647406 1055777351 /nfs/dbraw/zinc/77/73/51/1055777351.db2.gz YBMXJCYMHQBUCH-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347647406 1055777367 /nfs/dbraw/zinc/77/73/67/1055777367.db2.gz YBMXJCYMHQBUCH-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000542831923 1056171928 /nfs/dbraw/zinc/17/19/28/1056171928.db2.gz SBRWDJZOBBVTQB-DQLDELGASA-N 2 2 348.506 4.146 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CCC(C(F)(F)F)CC1 ZINC000354462632 1056518136 /nfs/dbraw/zinc/51/81/36/1056518136.db2.gz ITVZVFLEPRLLGQ-FGZQJIAISA-N 2 2 329.410 4.107 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000515315597 1056675787 /nfs/dbraw/zinc/67/57/87/1056675787.db2.gz HWVDPVVKKRVIOB-RBUKOAKNSA-N 2 2 344.886 4.274 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000515315597 1056675795 /nfs/dbraw/zinc/67/57/95/1056675795.db2.gz HWVDPVVKKRVIOB-RBUKOAKNSA-N 2 2 344.886 4.274 20 0 EIADLP COc1cccc2cc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)oc21 ZINC000742393663 1058592413 /nfs/dbraw/zinc/59/24/13/1058592413.db2.gz ZLRYMCACZRCLQP-OAHLLOKOSA-N 2 2 347.418 4.478 20 0 EIADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305259 1059365558 /nfs/dbraw/zinc/36/55/58/1059365558.db2.gz RQGPJHZZAXTJCY-UZLBHIALSA-N 2 2 337.442 4.064 20 0 EIADLP C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323579 1059734686 /nfs/dbraw/zinc/73/46/86/1059734686.db2.gz DAYZJCSICDAMMV-SCLBCKFNSA-N 2 2 339.826 4.310 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622664 1060137457 /nfs/dbraw/zinc/13/74/57/1060137457.db2.gz HCYQVTIDGSUPDH-MAUKXSAKSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000379622664 1060137482 /nfs/dbraw/zinc/13/74/82/1060137482.db2.gz HCYQVTIDGSUPDH-MAUKXSAKSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379653162 1060141206 /nfs/dbraw/zinc/14/12/06/1060141206.db2.gz YYKBVMLTVVTKRZ-UIFIKXQLSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379653162 1060141234 /nfs/dbraw/zinc/14/12/34/1060141234.db2.gz YYKBVMLTVVTKRZ-UIFIKXQLSA-N 2 2 335.495 4.102 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001169114093 1060660960 /nfs/dbraw/zinc/66/09/60/1060660960.db2.gz WRAIQNCMMFPFBF-XYYAHUGASA-N 2 2 333.690 4.362 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001169114093 1060660964 /nfs/dbraw/zinc/66/09/64/1060660964.db2.gz WRAIQNCMMFPFBF-XYYAHUGASA-N 2 2 333.690 4.362 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001169266218 1060712752 /nfs/dbraw/zinc/71/27/52/1060712752.db2.gz VIJWBBKMUQMMOA-AWEZNQCLSA-N 2 2 327.299 4.267 20 0 EIADLP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001169266218 1060712769 /nfs/dbraw/zinc/71/27/69/1060712769.db2.gz VIJWBBKMUQMMOA-AWEZNQCLSA-N 2 2 327.299 4.267 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1F ZINC000067977631 527373424 /nfs/dbraw/zinc/37/34/24/527373424.db2.gz FKKQCTQZOWTNKW-DYVFJYSZSA-N 2 2 339.414 4.326 20 0 EIADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040719304 563923254 /nfs/dbraw/zinc/92/32/54/563923254.db2.gz SATIMBBHVWUZOK-UHFFFAOYSA-N 2 2 326.362 4.007 20 0 EIADLP Cc1ccc2c(C)cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)[nH+]c2c1C ZINC001164768102 721300162 /nfs/dbraw/zinc/30/01/62/721300162.db2.gz FNRFEGGBILGMMT-UHFFFAOYSA-N 2 2 335.495 4.082 20 0 EIADLP Cc1ccc2c(C)cc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)[nH+]c2c1C ZINC001164768102 721300170 /nfs/dbraw/zinc/30/01/70/721300170.db2.gz FNRFEGGBILGMMT-UHFFFAOYSA-N 2 2 335.495 4.082 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1sccc1Br ZINC000532205141 1032088663 /nfs/dbraw/zinc/08/86/63/1032088663.db2.gz MTYFZFKHKZJJNL-LLVKDONJSA-N 2 2 343.334 4.178 20 0 EIADLP COC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000193992200 1032162315 /nfs/dbraw/zinc/16/23/15/1032162315.db2.gz QBXUCEHDIPNLPY-GOSISDBHSA-N 2 2 341.842 4.003 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000360079644 1032239675 /nfs/dbraw/zinc/23/96/75/1032239675.db2.gz PFHGFWACEFHVPI-KBPBESRZSA-N 2 2 333.863 4.082 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000508622006 1032269887 /nfs/dbraw/zinc/26/98/87/1032269887.db2.gz NZKHGXQLUMWZKX-ZDUSSCGKSA-N 2 2 338.282 4.182 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000508622006 1032269895 /nfs/dbraw/zinc/26/98/95/1032269895.db2.gz NZKHGXQLUMWZKX-ZDUSSCGKSA-N 2 2 338.282 4.182 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000245534165 1032288948 /nfs/dbraw/zinc/28/89/48/1032288948.db2.gz JNSMTDNHOVYKKU-JKSUJKDBSA-N 2 2 329.513 4.368 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000245534165 1032288966 /nfs/dbraw/zinc/28/89/66/1032288966.db2.gz JNSMTDNHOVYKKU-JKSUJKDBSA-N 2 2 329.513 4.368 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245707369 1032405123 /nfs/dbraw/zinc/40/51/23/1032405123.db2.gz MQXXGXRFTKJVJF-OQIJWPOYSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245707369 1032405127 /nfs/dbraw/zinc/40/51/27/1032405127.db2.gz MQXXGXRFTKJVJF-OQIJWPOYSA-N 2 2 341.524 4.298 20 0 EIADLP c1cc2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000529559753 1032446336 /nfs/dbraw/zinc/44/63/36/1032446336.db2.gz YKCDKDJZYDJZFE-GOSISDBHSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000529559753 1032446352 /nfs/dbraw/zinc/44/63/52/1032446352.db2.gz YKCDKDJZYDJZFE-GOSISDBHSA-N 2 2 334.467 4.080 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)ccc1F ZINC000177933161 1032513522 /nfs/dbraw/zinc/51/35/22/1032513522.db2.gz UUCGCAHZBCSTRG-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)c(F)c(F)c1 ZINC000177934547 1032514303 /nfs/dbraw/zinc/51/43/03/1032514303.db2.gz PBHDNINONMHYLW-ZDUSSCGKSA-N 2 2 345.368 4.200 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760167102 1032527547 /nfs/dbraw/zinc/52/75/47/1032527547.db2.gz HESGAUCRHYZRPD-LLVKDONJSA-N 2 2 339.270 4.123 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000432732334 1032617444 /nfs/dbraw/zinc/61/74/44/1032617444.db2.gz ULUNTBFRAKJAHD-DGCLKSJQSA-N 2 2 329.391 4.047 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000432732334 1032617478 /nfs/dbraw/zinc/61/74/78/1032617478.db2.gz ULUNTBFRAKJAHD-DGCLKSJQSA-N 2 2 329.391 4.047 20 0 EIADLP Fc1ccc(C([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000643547311 1018923688 /nfs/dbraw/zinc/92/36/88/1018923688.db2.gz CQOKPFPXHBVEBM-LJQANCHMSA-N 2 2 342.433 4.319 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1csc(-c2ccccc2)n1 ZINC000643547847 1018928913 /nfs/dbraw/zinc/92/89/13/1018928913.db2.gz JSAAPKLZXCZZAU-GDBMZVCRSA-N 2 2 327.497 4.135 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000017313971 1020152986 /nfs/dbraw/zinc/15/29/86/1020152986.db2.gz RTODJFMVSPHOED-UHFFFAOYSA-N 2 2 339.266 4.437 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180799342 1020180093 /nfs/dbraw/zinc/18/00/93/1020180093.db2.gz GZBTVCLORLYTFP-UHFFFAOYSA-N 2 2 326.440 4.036 20 0 EIADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000120828235 1020521223 /nfs/dbraw/zinc/52/12/23/1020521223.db2.gz GVWGSSYHPIGVQN-FQEVSTJZSA-N 2 2 345.437 4.316 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000236795006 1020657064 /nfs/dbraw/zinc/65/70/64/1020657064.db2.gz GGTUZBOMCNABCT-UHFFFAOYSA-N 2 2 330.447 4.358 20 0 EIADLP CCC(CC)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655696276 1020902576 /nfs/dbraw/zinc/90/25/76/1020902576.db2.gz DWXNONIGTYDKQY-RTWAWAEBSA-N 2 2 330.516 4.007 20 0 EIADLP CCC(CC)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655703389 1020905533 /nfs/dbraw/zinc/90/55/33/1020905533.db2.gz PEKODUHNAWMHIU-IEBWSBKVSA-N 2 2 336.545 4.068 20 0 EIADLP c1ccc([C@H](CC2CCCC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655736334 1020927188 /nfs/dbraw/zinc/92/71/88/1020927188.db2.gz DIVKSNXOSCKKPC-YADHBBJMSA-N 2 2 342.527 4.151 20 0 EIADLP C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376125722 1021542081 /nfs/dbraw/zinc/54/20/81/1021542081.db2.gz DGCXNJFQSZEXRY-QGZVFWFLSA-N 2 2 332.451 4.040 20 0 EIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc21 ZINC000683783424 1021544935 /nfs/dbraw/zinc/54/49/35/1021544935.db2.gz WMVLZBUGWVNFBY-NRFANRHFSA-N 2 2 335.495 4.307 20 0 EIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2ccccc21 ZINC000683783424 1021544945 /nfs/dbraw/zinc/54/49/45/1021544945.db2.gz WMVLZBUGWVNFBY-NRFANRHFSA-N 2 2 335.495 4.307 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000685834249 1021648803 /nfs/dbraw/zinc/64/88/03/1021648803.db2.gz AYBZTFTUUDPHBD-QBOMHBFWSA-N 2 2 347.409 4.294 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000685834249 1021648806 /nfs/dbraw/zinc/64/88/06/1021648806.db2.gz AYBZTFTUUDPHBD-QBOMHBFWSA-N 2 2 347.409 4.294 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139181 1021668794 /nfs/dbraw/zinc/66/87/94/1021668794.db2.gz MSFCCOJIGXUQFL-DOXZYTNZSA-N 2 2 343.540 4.321 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139181 1021668812 /nfs/dbraw/zinc/66/88/12/1021668812.db2.gz MSFCCOJIGXUQFL-DOXZYTNZSA-N 2 2 343.540 4.321 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1csc(-c2ccccc2)n1 ZINC000414099140 1021853959 /nfs/dbraw/zinc/85/39/59/1021853959.db2.gz JIWBMTLCAJKYST-OAHLLOKOSA-N 2 2 338.480 4.358 20 0 EIADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000178587636 1022140233 /nfs/dbraw/zinc/14/02/33/1022140233.db2.gz NKFDZTLMBYTIJK-QGZVFWFLSA-N 2 2 339.439 4.338 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471593615 1022202091 /nfs/dbraw/zinc/20/20/91/1022202091.db2.gz MJBLPSVVUAWZAB-RYRKJORJSA-N 2 2 344.524 4.318 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471593615 1022202095 /nfs/dbraw/zinc/20/20/95/1022202095.db2.gz MJBLPSVVUAWZAB-RYRKJORJSA-N 2 2 344.524 4.318 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1Cl ZINC000163831702 1022204907 /nfs/dbraw/zinc/20/49/07/1022204907.db2.gz PUJONZFXAPTFDG-MRXNPFEDSA-N 2 2 344.886 4.023 20 0 EIADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653031 1022291832 /nfs/dbraw/zinc/29/18/32/1022291832.db2.gz WAFSSLSPNZDKPL-YJBOKZPZSA-N 2 2 329.513 4.178 20 0 EIADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653031 1022291856 /nfs/dbraw/zinc/29/18/56/1022291856.db2.gz WAFSSLSPNZDKPL-YJBOKZPZSA-N 2 2 329.513 4.178 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349342108 1022392922 /nfs/dbraw/zinc/39/29/22/1022392922.db2.gz DIOBBHTVMAPUNR-UHFFFAOYSA-N 2 2 333.501 4.019 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349342108 1022392940 /nfs/dbraw/zinc/39/29/40/1022392940.db2.gz DIOBBHTVMAPUNR-UHFFFAOYSA-N 2 2 333.501 4.019 20 0 EIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000134297651 1022596503 /nfs/dbraw/zinc/59/65/03/1022596503.db2.gz RLOLWLRSGRCIKH-MRXNPFEDSA-N 2 2 325.283 4.197 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccccc1N(C)C ZINC000378339077 1022718166 /nfs/dbraw/zinc/71/81/66/1022718166.db2.gz DLHSQDOGLFXQPV-INIZCTEOSA-N 2 2 343.540 4.129 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544110392 1022847930 /nfs/dbraw/zinc/84/79/30/1022847930.db2.gz DPARCLNDRPYWBP-STQMWFEESA-N 2 2 343.334 4.132 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544110392 1022847933 /nfs/dbraw/zinc/84/79/33/1022847933.db2.gz DPARCLNDRPYWBP-STQMWFEESA-N 2 2 343.334 4.132 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544110392 1022847941 /nfs/dbraw/zinc/84/79/41/1022847941.db2.gz DPARCLNDRPYWBP-STQMWFEESA-N 2 2 343.334 4.132 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000544110392 1022847945 /nfs/dbraw/zinc/84/79/45/1022847945.db2.gz DPARCLNDRPYWBP-STQMWFEESA-N 2 2 343.334 4.132 20 0 EIADLP Brc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000588161151 1023007794 /nfs/dbraw/zinc/00/77/94/1023007794.db2.gz GKOCIBQEFFOMIP-STQMWFEESA-N 2 2 346.272 4.036 20 0 EIADLP Brc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000588161151 1023007810 /nfs/dbraw/zinc/00/78/10/1023007810.db2.gz GKOCIBQEFFOMIP-STQMWFEESA-N 2 2 346.272 4.036 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000656503614 1023074627 /nfs/dbraw/zinc/07/46/27/1023074627.db2.gz QMERIHDIAKUKIA-PCCBWWKXSA-N 2 2 331.463 4.097 20 0 EIADLP Cc1cccc([C@H](C)[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364039233 1023173236 /nfs/dbraw/zinc/17/32/36/1023173236.db2.gz XAHQDTDRTHAGPT-IBGZPJMESA-N 2 2 337.511 4.090 20 0 EIADLP Cc1cccc([C@H](C)[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364039233 1023173241 /nfs/dbraw/zinc/17/32/41/1023173241.db2.gz XAHQDTDRTHAGPT-IBGZPJMESA-N 2 2 337.511 4.090 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321340 1023263966 /nfs/dbraw/zinc/26/39/66/1023263966.db2.gz LLMSYZUWBBCHKT-AYOQOUSVSA-N 2 2 337.492 4.275 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3nsc4ccccc43)CC2)c[nH+]1 ZINC000660244752 1023370657 /nfs/dbraw/zinc/37/06/57/1023370657.db2.gz KLCRLKHLIDQNIA-UHFFFAOYSA-N 2 2 340.496 4.185 20 0 EIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000377370475 1023497307 /nfs/dbraw/zinc/49/73/07/1023497307.db2.gz XZJKRJQVYNYKGT-NNWRFLSQSA-N 2 2 335.495 4.084 20 0 EIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000377370475 1023497310 /nfs/dbraw/zinc/49/73/10/1023497310.db2.gz XZJKRJQVYNYKGT-NNWRFLSQSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000377370475 1023497314 /nfs/dbraw/zinc/49/73/14/1023497314.db2.gz XZJKRJQVYNYKGT-NNWRFLSQSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000377370475 1023497317 /nfs/dbraw/zinc/49/73/17/1023497317.db2.gz XZJKRJQVYNYKGT-NNWRFLSQSA-N 2 2 335.495 4.084 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(c1ccccc1)c1ccccc1 ZINC000377414566 1023520313 /nfs/dbraw/zinc/52/03/13/1023520313.db2.gz VLDFCUDFYRWPHS-VQIMIIECSA-N 2 2 331.463 4.077 20 0 EIADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000472793981 1023592299 /nfs/dbraw/zinc/59/22/99/1023592299.db2.gz PIKSGDATYILCAV-LJQANCHMSA-N 2 2 348.918 4.109 20 0 EIADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000472793981 1023592307 /nfs/dbraw/zinc/59/23/07/1023592307.db2.gz PIKSGDATYILCAV-LJQANCHMSA-N 2 2 348.918 4.109 20 0 EIADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000783237122 1023620965 /nfs/dbraw/zinc/62/09/65/1023620965.db2.gz QHJHMEACFURGIF-VGSWGCGISA-N 2 2 331.463 4.487 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000364353164 1023667447 /nfs/dbraw/zinc/66/74/47/1023667447.db2.gz HXWTZNJXZUANIO-CYBMUJFWSA-N 2 2 349.276 4.006 20 0 EIADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000390554774 1023671361 /nfs/dbraw/zinc/67/13/61/1023671361.db2.gz LBBOPCHPVSTCGI-ALOPSCKCSA-N 2 2 330.859 4.218 20 0 EIADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000390554774 1023671363 /nfs/dbraw/zinc/67/13/63/1023671363.db2.gz LBBOPCHPVSTCGI-ALOPSCKCSA-N 2 2 330.859 4.218 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C2 ZINC000364372766 1023690915 /nfs/dbraw/zinc/69/09/15/1023690915.db2.gz FHUOMVDDJZBNOK-TZIWHRDSSA-N 2 2 335.426 4.025 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1Cl ZINC000377798101 1023762778 /nfs/dbraw/zinc/76/27/78/1023762778.db2.gz DHVBYXRIAIRQRS-SJCJKPOMSA-N 2 2 336.266 4.315 20 0 EIADLP C[C@@H](C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000194540033 1023770065 /nfs/dbraw/zinc/77/00/65/1023770065.db2.gz OPOWMDXFKPEFLN-SFHVURJKSA-N 2 2 337.511 4.433 20 0 EIADLP C[C@H](C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000194540037 1023770738 /nfs/dbraw/zinc/77/07/38/1023770738.db2.gz OPOWMDXFKPEFLN-GOSISDBHSA-N 2 2 337.511 4.433 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000364449301 1023783396 /nfs/dbraw/zinc/78/33/96/1023783396.db2.gz WBAMXNBYLXKPTK-LPHOPBHVSA-N 2 2 347.865 4.047 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000364449301 1023783403 /nfs/dbraw/zinc/78/34/03/1023783403.db2.gz WBAMXNBYLXKPTK-LPHOPBHVSA-N 2 2 347.865 4.047 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCc4sccc43)sc2C1 ZINC000341540832 1023845342 /nfs/dbraw/zinc/84/53/42/1023845342.db2.gz VTXRHBKRSQWVBO-AWEZNQCLSA-N 2 2 347.553 4.138 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCc4sccc43)sc2C1 ZINC000341540832 1023845343 /nfs/dbraw/zinc/84/53/43/1023845343.db2.gz VTXRHBKRSQWVBO-AWEZNQCLSA-N 2 2 347.553 4.138 20 0 EIADLP Cc1ccc2ncc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)cc2c1 ZINC000660676744 1024013535 /nfs/dbraw/zinc/01/35/35/1024013535.db2.gz AAUFMFDYOZVDIX-UHFFFAOYSA-N 2 2 345.490 4.297 20 0 EIADLP C[C@H]1CCCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790944 1024024244 /nfs/dbraw/zinc/02/42/44/1024024244.db2.gz QWZQMTBHBGXLPJ-YJNKEBTESA-N 2 2 332.454 4.350 20 0 EIADLP Cc1cc(OCCC[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000510708001 1024287175 /nfs/dbraw/zinc/28/71/75/1024287175.db2.gz ZHPRUTDHICFNQH-JKSUJKDBSA-N 2 2 335.879 4.071 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432235412 1024626899 /nfs/dbraw/zinc/62/68/99/1024626899.db2.gz IFOHNHPJIRNXFE-UHFFFAOYSA-N 2 2 333.278 4.485 20 0 EIADLP CC(C)COc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000510875032 1024701138 /nfs/dbraw/zinc/70/11/38/1024701138.db2.gz TYJSRYJLMJTYDM-UHFFFAOYSA-N 2 2 349.478 4.256 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)CCC2 ZINC000432256777 1024791147 /nfs/dbraw/zinc/79/11/47/1024791147.db2.gz UHSDQBVZEARMPF-SNVBAGLBSA-N 2 2 330.284 4.227 20 0 EIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639666 1024818694 /nfs/dbraw/zinc/81/86/94/1024818694.db2.gz KYDYUTWZKZURBC-SFTDATJTSA-N 2 2 342.527 4.123 20 0 EIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639666 1024818696 /nfs/dbraw/zinc/81/86/96/1024818696.db2.gz KYDYUTWZKZURBC-SFTDATJTSA-N 2 2 342.527 4.123 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000581995898 1024824873 /nfs/dbraw/zinc/82/48/73/1024824873.db2.gz IPBLQSYHCMRTIW-UONOGXRCSA-N 2 2 338.282 4.185 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000535838703 1025104619 /nfs/dbraw/zinc/10/46/19/1025104619.db2.gz DASMZAILMDFLDC-QFIPXVFZSA-N 2 2 345.490 4.450 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000151337349 1025283190 /nfs/dbraw/zinc/28/31/90/1025283190.db2.gz WJRVNJKAAZLQEZ-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)c2ccccc21 ZINC000342295604 1025803125 /nfs/dbraw/zinc/80/31/25/1025803125.db2.gz RGAXGMMFKWNSCM-ZDUSSCGKSA-N 2 2 343.471 4.348 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422845 1025901644 /nfs/dbraw/zinc/90/16/44/1025901644.db2.gz VLHAPQPCYOYUDF-QZTJIDSGSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422845 1025901656 /nfs/dbraw/zinc/90/16/56/1025901656.db2.gz VLHAPQPCYOYUDF-QZTJIDSGSA-N 2 2 342.483 4.098 20 0 EIADLP c1cn(-c2csc(C[NH2+]Cc3csc4ccccc34)c2)c[nH+]1 ZINC000344123808 1026036318 /nfs/dbraw/zinc/03/63/18/1026036318.db2.gz GSNDCKOQXALLNS-UHFFFAOYSA-N 2 2 325.462 4.438 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000344169127 1026090642 /nfs/dbraw/zinc/09/06/42/1026090642.db2.gz OBUIRGXPQHFENU-UHFFFAOYSA-N 2 2 337.389 4.425 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000344169127 1026090652 /nfs/dbraw/zinc/09/06/52/1026090652.db2.gz OBUIRGXPQHFENU-UHFFFAOYSA-N 2 2 337.389 4.425 20 0 EIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCCO2 ZINC000152243956 1026242929 /nfs/dbraw/zinc/24/29/29/1026242929.db2.gz JBHWLPLLHJXXSJ-HXUWFJFHSA-N 2 2 347.462 4.493 20 0 EIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000344474867 1026416758 /nfs/dbraw/zinc/41/67/58/1026416758.db2.gz AGNXYSZFOBOYDH-UHFFFAOYSA-N 2 2 344.842 4.448 20 0 EIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000344474867 1026416775 /nfs/dbraw/zinc/41/67/75/1026416775.db2.gz AGNXYSZFOBOYDH-UHFFFAOYSA-N 2 2 344.842 4.448 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582340069 1026467320 /nfs/dbraw/zinc/46/73/20/1026467320.db2.gz CZCIOPXYSJRCJW-GOSISDBHSA-N 2 2 340.433 4.453 20 0 EIADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426787 1026576148 /nfs/dbraw/zinc/57/61/48/1026576148.db2.gz GAENPWHZADPPAL-MJGOQNOKSA-N 2 2 346.425 4.008 20 0 EIADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426787 1026576154 /nfs/dbraw/zinc/57/61/54/1026576154.db2.gz GAENPWHZADPPAL-MJGOQNOKSA-N 2 2 346.425 4.008 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507110115 1026646444 /nfs/dbraw/zinc/64/64/44/1026646444.db2.gz ITCVUDOAWSJPNR-KNTRCKAVSA-N 2 2 342.527 4.187 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1C(F)(F)F ZINC000152783281 1026845602 /nfs/dbraw/zinc/84/56/02/1026845602.db2.gz ITTWHYGOCKMYRK-ZDUSSCGKSA-N 2 2 337.389 4.132 20 0 EIADLP CC(C)Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000896035541 1027171386 /nfs/dbraw/zinc/17/13/86/1027171386.db2.gz UMAAGOOLBGLOIR-NRFANRHFSA-N 2 2 334.467 4.008 20 0 EIADLP Cc1ccc2ncc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc2c1 ZINC000560688412 1027384177 /nfs/dbraw/zinc/38/41/77/1027384177.db2.gz SYLYGNTWMXNVFI-UHFFFAOYSA-N 2 2 332.451 4.015 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000163249621 1027579265 /nfs/dbraw/zinc/57/92/65/1027579265.db2.gz ZGWKWPWJOLJXCR-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000163249621 1027579281 /nfs/dbraw/zinc/57/92/81/1027579281.db2.gz ZGWKWPWJOLJXCR-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP Clc1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994412 1027747336 /nfs/dbraw/zinc/74/73/36/1027747336.db2.gz CUOULPJPVKPPDB-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994412 1027747364 /nfs/dbraw/zinc/74/73/64/1027747364.db2.gz CUOULPJPVKPPDB-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167994412 1027747381 /nfs/dbraw/zinc/74/73/81/1027747381.db2.gz CUOULPJPVKPPDB-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167994412 1027747402 /nfs/dbraw/zinc/74/74/02/1027747402.db2.gz CUOULPJPVKPPDB-JWTNVVGKSA-N 2 2 330.903 4.104 20 0 EIADLP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)s2)c1 ZINC001204684973 1027759977 /nfs/dbraw/zinc/75/99/77/1027759977.db2.gz PMJGQGUCQANODU-UHFFFAOYSA-N 2 2 340.414 4.229 20 0 EIADLP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)s2)c1 ZINC001204684973 1027759996 /nfs/dbraw/zinc/75/99/96/1027759996.db2.gz PMJGQGUCQANODU-UHFFFAOYSA-N 2 2 340.414 4.229 20 0 EIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000153648581 1027820652 /nfs/dbraw/zinc/82/06/52/1027820652.db2.gz HFGRMIQKBCHQIO-QGZVFWFLSA-N 2 2 339.414 4.408 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000162159253 1027822359 /nfs/dbraw/zinc/82/23/59/1027822359.db2.gz VBURIVYCEMXAPF-SFHVURJKSA-N 2 2 340.515 4.088 20 0 EIADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000583030159 1027860608 /nfs/dbraw/zinc/86/06/08/1027860608.db2.gz LVDUVEMFFPNYMZ-GFCCVEGCSA-N 2 2 333.888 4.486 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000444667179 1027954105 /nfs/dbraw/zinc/95/41/05/1027954105.db2.gz SEBADYRRBFCSPQ-QAPCUYQASA-N 2 2 344.528 4.470 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000444667179 1027954115 /nfs/dbraw/zinc/95/41/15/1027954115.db2.gz SEBADYRRBFCSPQ-QAPCUYQASA-N 2 2 344.528 4.470 20 0 EIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1cccc(O)c1 ZINC000346139091 1028276774 /nfs/dbraw/zinc/27/67/74/1028276774.db2.gz KJUFNBHZNGOOHV-AWEZNQCLSA-N 2 2 327.453 4.223 20 0 EIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1cccc(O)c1 ZINC000346139091 1028276786 /nfs/dbraw/zinc/27/67/86/1028276786.db2.gz KJUFNBHZNGOOHV-AWEZNQCLSA-N 2 2 327.453 4.223 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273914 1028344157 /nfs/dbraw/zinc/34/41/57/1028344157.db2.gz IYSNZKKOVRECLB-SUMWQHHRSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273914 1028344182 /nfs/dbraw/zinc/34/41/82/1028344182.db2.gz IYSNZKKOVRECLB-SUMWQHHRSA-N 2 2 337.389 4.293 20 0 EIADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125615158 1028439607 /nfs/dbraw/zinc/43/96/07/1028439607.db2.gz VLLIAVCCRQGRMG-OAQYLSRUSA-N 2 2 348.494 4.131 20 0 EIADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141866 1028517255 /nfs/dbraw/zinc/51/72/55/1028517255.db2.gz JGGIIJGSINZISW-KRWDZBQOSA-N 2 2 326.406 4.013 20 0 EIADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141866 1028517264 /nfs/dbraw/zinc/51/72/64/1028517264.db2.gz JGGIIJGSINZISW-KRWDZBQOSA-N 2 2 326.406 4.013 20 0 EIADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141866 1028517270 /nfs/dbraw/zinc/51/72/70/1028517270.db2.gz JGGIIJGSINZISW-KRWDZBQOSA-N 2 2 326.406 4.013 20 0 EIADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141866 1028517275 /nfs/dbraw/zinc/51/72/75/1028517275.db2.gz JGGIIJGSINZISW-KRWDZBQOSA-N 2 2 326.406 4.013 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1Cl ZINC000163231362 1028886561 /nfs/dbraw/zinc/88/65/61/1028886561.db2.gz RXKWAFHKRUIGPK-BQFCYCMXSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1Cl ZINC000163231362 1028886562 /nfs/dbraw/zinc/88/65/62/1028886562.db2.gz RXKWAFHKRUIGPK-BQFCYCMXSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1Cl ZINC000163231257 1028891372 /nfs/dbraw/zinc/89/13/72/1028891372.db2.gz RXKWAFHKRUIGPK-RYRKJORJSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1Cl ZINC000163231257 1028891373 /nfs/dbraw/zinc/89/13/73/1028891373.db2.gz RXKWAFHKRUIGPK-RYRKJORJSA-N 2 2 343.902 4.439 20 0 EIADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000347199773 1028915060 /nfs/dbraw/zinc/91/50/60/1028915060.db2.gz IETIWHKFBYAHJV-KRWDZBQOSA-N 2 2 334.467 4.415 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000151114446 1029079795 /nfs/dbraw/zinc/07/97/95/1029079795.db2.gz HHIDALMZURKLQZ-CQSZACIVSA-N 2 2 329.444 4.492 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192807875 1029420911 /nfs/dbraw/zinc/42/09/11/1029420911.db2.gz DJTJWLUZDMOAOI-CABCVRRESA-N 2 2 339.414 4.432 20 0 EIADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151353974 1029496051 /nfs/dbraw/zinc/49/60/51/1029496051.db2.gz FLVFZVKQZPCEDX-QFIPXVFZSA-N 2 2 347.462 4.107 20 0 EIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475353213 1029570036 /nfs/dbraw/zinc/57/00/36/1029570036.db2.gz FPKNTVUOHPPGJR-QBBMROGASA-N 2 2 332.454 4.208 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2ccncc2s1 ZINC000657836460 1029681429 /nfs/dbraw/zinc/68/14/29/1029681429.db2.gz MJJCJVFRHMAAIR-AWEZNQCLSA-N 2 2 338.480 4.011 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000447086049 1029683497 /nfs/dbraw/zinc/68/34/97/1029683497.db2.gz LJDBJXRHTNEPAB-UHFFFAOYSA-N 2 2 345.512 4.187 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccn2CCC(C)C)CC1 ZINC000447087338 1029683652 /nfs/dbraw/zinc/68/36/52/1029683652.db2.gz OWFOQZBFCWPVBG-UHFFFAOYSA-N 2 2 341.499 4.281 20 0 EIADLP Cc1cccc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000301291992 1029700111 /nfs/dbraw/zinc/70/01/11/1029700111.db2.gz PSHPYKPGLJFRHI-UHFFFAOYSA-N 2 2 349.400 4.485 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000162149333 1029730795 /nfs/dbraw/zinc/73/07/95/1029730795.db2.gz XQROOCUBBQGNAJ-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000301632377 1029777279 /nfs/dbraw/zinc/77/72/79/1029777279.db2.gz JQKSMMRSCSKSNB-MRXNPFEDSA-N 2 2 335.373 4.095 20 0 EIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000301632377 1029777286 /nfs/dbraw/zinc/77/72/86/1029777286.db2.gz JQKSMMRSCSKSNB-MRXNPFEDSA-N 2 2 335.373 4.095 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301704122 1029792667 /nfs/dbraw/zinc/79/26/67/1029792667.db2.gz HRAJMCHHRZJINV-CQSZACIVSA-N 2 2 340.858 4.081 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000089614487 1029850841 /nfs/dbraw/zinc/85/08/41/1029850841.db2.gz FNDKHSYTMZVNHG-HNNXBMFYSA-N 2 2 329.856 4.364 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667899 1029868839 /nfs/dbraw/zinc/86/88/39/1029868839.db2.gz UKLCDZPPUWZODU-JKSUJKDBSA-N 2 2 329.513 4.328 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000390874022 1030069935 /nfs/dbraw/zinc/06/99/35/1030069935.db2.gz RKGAUKVAIGMSSC-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000390874022 1030069955 /nfs/dbraw/zinc/06/99/55/1030069955.db2.gz RKGAUKVAIGMSSC-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930168 1030104760 /nfs/dbraw/zinc/10/47/60/1030104760.db2.gz VUTXVJMIPWEILH-HOTGVXAUSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930168 1030104776 /nfs/dbraw/zinc/10/47/76/1030104776.db2.gz VUTXVJMIPWEILH-HOTGVXAUSA-N 2 2 337.458 4.224 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CCC2 ZINC000367387086 1030144211 /nfs/dbraw/zinc/14/42/11/1030144211.db2.gz ZVWYMFDYCQVSBA-KXBFYZLASA-N 2 2 334.467 4.217 20 0 EIADLP CN(c1ccccc1)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000685462493 1030339932 /nfs/dbraw/zinc/33/99/32/1030339932.db2.gz QSNOBHLUHAZGBX-UHFFFAOYSA-N 2 2 334.467 4.173 20 0 EIADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000685462493 1030339954 /nfs/dbraw/zinc/33/99/54/1030339954.db2.gz QSNOBHLUHAZGBX-UHFFFAOYSA-N 2 2 334.467 4.173 20 0 EIADLP CC1(C)CCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530366262 1030340623 /nfs/dbraw/zinc/34/06/23/1030340623.db2.gz KSTRVWTVWTYUNQ-UYSNPLJNSA-N 2 2 332.454 4.350 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2cc3ccccc3[nH]2)Cc2ccccc2)CC1 ZINC000685467965 1030355047 /nfs/dbraw/zinc/35/50/47/1030355047.db2.gz UTUKNQNFOAASHO-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccccc3[nH]2)Cc2ccccc2)CC1 ZINC000685467965 1030355065 /nfs/dbraw/zinc/35/50/65/1030355065.db2.gz UTUKNQNFOAASHO-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2cnccc2o1 ZINC000657901417 1030405615 /nfs/dbraw/zinc/40/56/15/1030405615.db2.gz TXIKPSIPWIIKNL-FUHIMQAGSA-N 2 2 349.478 4.389 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2cnccc2o1 ZINC000657901417 1030405632 /nfs/dbraw/zinc/40/56/32/1030405632.db2.gz TXIKPSIPWIIKNL-FUHIMQAGSA-N 2 2 349.478 4.389 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3cc(F)c(Cl)cc31)CCC2 ZINC000527860581 1030882221 /nfs/dbraw/zinc/88/22/21/1030882221.db2.gz AYVNMILORIJWRQ-DYVFJYSZSA-N 2 2 333.838 4.139 20 0 EIADLP CC(C)CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000658294387 1030959934 /nfs/dbraw/zinc/95/99/34/1030959934.db2.gz MZAULAHAOUQWEB-YADHBBJMSA-N 2 2 344.543 4.397 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cn1 ZINC000528045190 1031081775 /nfs/dbraw/zinc/08/17/75/1031081775.db2.gz YDJJPCGZKFZJKT-YCRPNKLZSA-N 2 2 348.450 4.078 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000122904990 1031152500 /nfs/dbraw/zinc/15/25/00/1031152500.db2.gz SXBHEQLFIGFTIK-NRFANRHFSA-N 2 2 346.478 4.345 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000122904990 1031152514 /nfs/dbraw/zinc/15/25/14/1031152514.db2.gz SXBHEQLFIGFTIK-NRFANRHFSA-N 2 2 346.478 4.345 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000122904747 1031153556 /nfs/dbraw/zinc/15/35/56/1031153556.db2.gz SXBHEQLFIGFTIK-OAQYLSRUSA-N 2 2 346.478 4.345 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000122904747 1031153573 /nfs/dbraw/zinc/15/35/73/1031153573.db2.gz SXBHEQLFIGFTIK-OAQYLSRUSA-N 2 2 346.478 4.345 20 0 EIADLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000628230347 1031249419 /nfs/dbraw/zinc/24/94/19/1031249419.db2.gz DBHXWANWJURFBE-RTBURBONSA-N 2 2 337.511 4.309 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449026285 1031362991 /nfs/dbraw/zinc/36/29/91/1031362991.db2.gz FGNHJFMZGWAIIN-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449026285 1031362997 /nfs/dbraw/zinc/36/29/97/1031362997.db2.gz FGNHJFMZGWAIIN-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000449031914 1031367201 /nfs/dbraw/zinc/36/72/01/1031367201.db2.gz XWTNJXYWKXLAML-XLIONFOSSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449031914 1031367208 /nfs/dbraw/zinc/36/72/08/1031367208.db2.gz XWTNJXYWKXLAML-XLIONFOSSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031914 1031367211 /nfs/dbraw/zinc/36/72/11/1031367211.db2.gz XWTNJXYWKXLAML-XLIONFOSSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031914 1031367217 /nfs/dbraw/zinc/36/72/17/1031367217.db2.gz XWTNJXYWKXLAML-XLIONFOSSA-N 2 2 349.478 4.313 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)CC1 ZINC000449087189 1031417746 /nfs/dbraw/zinc/41/77/46/1031417746.db2.gz UTGLQOSBZOPIBC-SFTDATJTSA-N 2 2 342.527 4.151 20 0 EIADLP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000449077621 1031432816 /nfs/dbraw/zinc/43/28/16/1031432816.db2.gz SDDFCRNMYGZQJG-AEFFLSMTSA-N 2 2 343.902 4.341 20 0 EIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449079853 1031435422 /nfs/dbraw/zinc/43/54/22/1031435422.db2.gz QNPNYDMJWSPYDW-INIZCTEOSA-N 2 2 335.451 4.017 20 0 EIADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCC1 ZINC000449155195 1031483508 /nfs/dbraw/zinc/48/35/08/1031483508.db2.gz KNYXFAHVINABJS-FXAWDEMLSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000531701642 1031485385 /nfs/dbraw/zinc/48/53/85/1031485385.db2.gz AWQRCYWIGARSLR-CJNGLKHVSA-N 2 2 348.288 4.264 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)CCC2 ZINC000449167215 1031507210 /nfs/dbraw/zinc/50/72/10/1031507210.db2.gz IPBRCZUVBSIPKP-SNVBAGLBSA-N 2 2 330.284 4.227 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066978 1031529373 /nfs/dbraw/zinc/52/93/73/1031529373.db2.gz RJAZAWDFGNBOHT-RCCFBDPRSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066978 1031529374 /nfs/dbraw/zinc/52/93/74/1031529374.db2.gz RJAZAWDFGNBOHT-RCCFBDPRSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000449210326 1031533786 /nfs/dbraw/zinc/53/37/86/1031533786.db2.gz QCJLFAGLZMRAQI-WIRSXHRWSA-N 2 2 329.532 4.411 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000125180003 1031577490 /nfs/dbraw/zinc/57/74/90/1031577490.db2.gz FXXXIIPABASKQC-ROUUACIJSA-N 2 2 340.515 4.340 20 0 EIADLP CO[C@@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000453317709 1031842570 /nfs/dbraw/zinc/84/25/70/1031842570.db2.gz JEDOFCRSYGQXLN-UTKZUKDTSA-N 2 2 335.451 4.085 20 0 EIADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)c(C)s1 ZINC000359884594 1031895452 /nfs/dbraw/zinc/89/54/52/1031895452.db2.gz YRLKDJINEFBROQ-XIKOKIGWSA-N 2 2 349.569 4.130 20 0 EIADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c(C)s1 ZINC000359884594 1031895455 /nfs/dbraw/zinc/89/54/55/1031895455.db2.gz YRLKDJINEFBROQ-XIKOKIGWSA-N 2 2 349.569 4.130 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000359865302 1031895807 /nfs/dbraw/zinc/89/58/07/1031895807.db2.gz DEJZUOFFLRJWOV-LJQANCHMSA-N 2 2 334.467 4.219 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000359865302 1031895815 /nfs/dbraw/zinc/89/58/15/1031895815.db2.gz DEJZUOFFLRJWOV-LJQANCHMSA-N 2 2 334.467 4.219 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000152230873 1033803783 /nfs/dbraw/zinc/80/37/83/1033803783.db2.gz UPYTUHWXJWHDEH-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP Cc1cc([C@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)on1 ZINC000509814691 1034046669 /nfs/dbraw/zinc/04/66/69/1034046669.db2.gz VKUZFJVNVSVKNQ-LJQANCHMSA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)on1 ZINC000509814691 1034046683 /nfs/dbraw/zinc/04/66/83/1034046683.db2.gz VKUZFJVNVSVKNQ-LJQANCHMSA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)on1 ZINC000509814691 1034046702 /nfs/dbraw/zinc/04/67/02/1034046702.db2.gz VKUZFJVNVSVKNQ-LJQANCHMSA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)on1 ZINC000509814691 1034046714 /nfs/dbraw/zinc/04/67/14/1034046714.db2.gz VKUZFJVNVSVKNQ-LJQANCHMSA-N 2 2 341.499 4.278 20 0 EIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@@H](C)O1 ZINC000614325958 1034176155 /nfs/dbraw/zinc/17/61/55/1034176155.db2.gz MRHVLGWJUJRXIW-IAGOWNOFSA-N 2 2 344.524 4.004 20 0 EIADLP CCc1ccc(-c2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)o2)cc1 ZINC000513047839 1034363277 /nfs/dbraw/zinc/36/32/77/1034363277.db2.gz VIFCDILAVNSEIA-UHFFFAOYSA-N 2 2 326.484 4.471 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000513497087 1034986032 /nfs/dbraw/zinc/98/60/32/1034986032.db2.gz QJJBTJOLAQXXKN-UHFFFAOYSA-N 2 2 328.525 4.461 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000513497087 1034986041 /nfs/dbraw/zinc/98/60/41/1034986041.db2.gz QJJBTJOLAQXXKN-UHFFFAOYSA-N 2 2 328.525 4.461 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278246 1035495826 /nfs/dbraw/zinc/49/58/26/1035495826.db2.gz VEUCQJDTSZJFOU-CABCVRRESA-N 2 2 347.890 4.296 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278246 1035495830 /nfs/dbraw/zinc/49/58/30/1035495830.db2.gz VEUCQJDTSZJFOU-CABCVRRESA-N 2 2 347.890 4.296 20 0 EIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290233 1035500862 /nfs/dbraw/zinc/50/08/62/1035500862.db2.gz LPYZOFZVAFKCKA-QWHCGFSZSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290233 1035500891 /nfs/dbraw/zinc/50/08/91/1035500891.db2.gz LPYZOFZVAFKCKA-QWHCGFSZSA-N 2 2 335.904 4.023 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308734 1035506014 /nfs/dbraw/zinc/50/60/14/1035506014.db2.gz DADNMELYURSNOX-UGSOOPFHSA-N 2 2 333.863 4.035 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308734 1035506025 /nfs/dbraw/zinc/50/60/25/1035506025.db2.gz DADNMELYURSNOX-UGSOOPFHSA-N 2 2 333.863 4.035 20 0 EIADLP CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420368806 1035557064 /nfs/dbraw/zinc/55/70/64/1035557064.db2.gz IKRPEEDGMTXDBQ-KDOFPFPSSA-N 2 2 344.503 4.264 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCO2 ZINC000151330935 1035704464 /nfs/dbraw/zinc/70/44/64/1035704464.db2.gz TWUUJSXXMJXJKR-NRFANRHFSA-N 2 2 347.462 4.107 20 0 EIADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000570886876 1035824233 /nfs/dbraw/zinc/82/42/33/1035824233.db2.gz NESGLPPCRKFHOJ-MRXNPFEDSA-N 2 2 339.870 4.478 20 0 EIADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668574960 1036430294 /nfs/dbraw/zinc/43/02/94/1036430294.db2.gz FDXSYGBDBSKCPJ-LAUBAEHRSA-N 2 2 349.478 4.020 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000502894430 1036762182 /nfs/dbraw/zinc/76/21/82/1036762182.db2.gz BJLKAMVWZUIVTM-UHFFFAOYSA-N 2 2 330.516 4.119 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000502894430 1036762212 /nfs/dbraw/zinc/76/22/12/1036762212.db2.gz BJLKAMVWZUIVTM-UHFFFAOYSA-N 2 2 330.516 4.119 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421819310 1036774502 /nfs/dbraw/zinc/77/45/02/1036774502.db2.gz GMYOVZLTWVPCAD-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP COc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c(F)c1 ZINC000421825043 1036783064 /nfs/dbraw/zinc/78/30/64/1036783064.db2.gz LJUQTWDTYKFRLK-HXUWFJFHSA-N 2 2 343.446 4.162 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1Cl ZINC000421827956 1036787153 /nfs/dbraw/zinc/78/71/53/1036787153.db2.gz AGBNYNPTOCJWHR-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1Cl ZINC000421827956 1036787173 /nfs/dbraw/zinc/78/71/73/1036787173.db2.gz AGBNYNPTOCJWHR-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421834596 1036796152 /nfs/dbraw/zinc/79/61/52/1036796152.db2.gz CNBMKLLBQNOAFI-XYJFISCASA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421834596 1036796175 /nfs/dbraw/zinc/79/61/75/1036796175.db2.gz CNBMKLLBQNOAFI-XYJFISCASA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000589634836 1036854570 /nfs/dbraw/zinc/85/45/70/1036854570.db2.gz HNIFNTVEXMLCPP-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP CC(C)c1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272572419 1037230658 /nfs/dbraw/zinc/23/06/58/1037230658.db2.gz IKHANDORKQUPRO-FUHWJXTLSA-N 2 2 343.540 4.267 20 0 EIADLP CC(C)c1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272572419 1037230692 /nfs/dbraw/zinc/23/06/92/1037230692.db2.gz IKHANDORKQUPRO-FUHWJXTLSA-N 2 2 343.540 4.267 20 0 EIADLP Clc1cscc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669714401 1037358014 /nfs/dbraw/zinc/35/80/14/1037358014.db2.gz GYDHLAQKTUJDEG-CYBMUJFWSA-N 2 2 335.904 4.314 20 0 EIADLP Clc1cscc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669714401 1037358026 /nfs/dbraw/zinc/35/80/26/1037358026.db2.gz GYDHLAQKTUJDEG-CYBMUJFWSA-N 2 2 335.904 4.314 20 0 EIADLP C[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(C)(C)C)cc1 ZINC000573409707 1037500262 /nfs/dbraw/zinc/50/02/62/1037500262.db2.gz QARUAFAJOUUHCM-YJBOKZPZSA-N 2 2 325.500 4.033 20 0 EIADLP C[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(C)(C)C)cc1 ZINC000573409705 1037500661 /nfs/dbraw/zinc/50/06/61/1037500661.db2.gz QARUAFAJOUUHCM-MAUKXSAKSA-N 2 2 325.500 4.033 20 0 EIADLP Clc1ccccc1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503368706 1037713324 /nfs/dbraw/zinc/71/33/24/1037713324.db2.gz NOIRJRAUJGVXMA-KRWDZBQOSA-N 2 2 343.902 4.295 20 0 EIADLP Clc1ccccc1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503368706 1037713343 /nfs/dbraw/zinc/71/33/43/1037713343.db2.gz NOIRJRAUJGVXMA-KRWDZBQOSA-N 2 2 343.902 4.295 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380582 1037730705 /nfs/dbraw/zinc/73/07/05/1037730705.db2.gz XJYDMKWGFHSNNW-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380582 1037730718 /nfs/dbraw/zinc/73/07/18/1037730718.db2.gz XJYDMKWGFHSNNW-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ccccc21 ZINC000422823497 1037841822 /nfs/dbraw/zinc/84/18/22/1037841822.db2.gz DKRCEIXNCKDGRW-DHIUTWEWSA-N 3 2 349.522 4.297 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885701 1037854448 /nfs/dbraw/zinc/85/44/48/1037854448.db2.gz UZHWUEWLEJXHDK-MQNAVGNWSA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885701 1037854449 /nfs/dbraw/zinc/85/44/49/1037854449.db2.gz UZHWUEWLEJXHDK-MQNAVGNWSA-N 3 2 349.522 4.295 20 0 EIADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(O[C@@H](C)CC(C)C)c1 ZINC000422872855 1037857705 /nfs/dbraw/zinc/85/77/05/1037857705.db2.gz IWDHQQBVGGVPJM-IRXDYDNUSA-N 2 2 341.499 4.467 20 0 EIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422906692 1037862966 /nfs/dbraw/zinc/86/29/66/1037862966.db2.gz AEZDDLXWIVZOTL-HLLBOEOZSA-N 2 2 344.528 4.167 20 0 EIADLP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000422943635 1037872890 /nfs/dbraw/zinc/87/28/90/1037872890.db2.gz YOZYUPTZDLCJJG-KZULUSFZSA-N 2 2 335.278 4.280 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422971952 1037892670 /nfs/dbraw/zinc/89/26/70/1037892670.db2.gz ZEPFPWKQPDYTRH-UGESXGAOSA-N 2 2 336.479 4.024 20 0 EIADLP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055910 1037923570 /nfs/dbraw/zinc/92/35/70/1037923570.db2.gz DYQWRLHMAQFQKS-WQAKAFBOSA-N 2 2 337.286 4.306 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055912 1037926326 /nfs/dbraw/zinc/92/63/26/1037926326.db2.gz DYQWRLHMAQFQKS-ZWKOPEQDSA-N 2 2 337.286 4.306 20 0 EIADLP FC(F)(F)C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423057944 1037926782 /nfs/dbraw/zinc/92/67/82/1037926782.db2.gz AZCOTYUVSAVNDG-ZDUSSCGKSA-N 2 2 340.311 4.041 20 0 EIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000423184394 1038015632 /nfs/dbraw/zinc/01/56/32/1038015632.db2.gz HUXYSOKOGLTKOE-CYBMUJFWSA-N 2 2 338.282 4.219 20 0 EIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2cc(Cl)ccc2o1 ZINC000423190197 1038047145 /nfs/dbraw/zinc/04/71/45/1038047145.db2.gz QLMICJBURKCRKO-AWEZNQCLSA-N 2 2 343.858 4.312 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246119 1038075498 /nfs/dbraw/zinc/07/54/98/1038075498.db2.gz PHILJKRCFDWWEB-KBXCAEBGSA-N 2 2 337.492 4.469 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000423248958 1038078728 /nfs/dbraw/zinc/07/87/28/1038078728.db2.gz SIBGQLHNSJPKGD-CXAGYDPISA-N 2 2 336.451 4.394 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423365652 1038182635 /nfs/dbraw/zinc/18/26/35/1038182635.db2.gz ZWSBSWIQHQAJEL-BTYIYWSLSA-N 2 2 332.451 4.183 20 0 EIADLP c1cn(CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c[nH+]1 ZINC000574376130 1038216208 /nfs/dbraw/zinc/21/62/08/1038216208.db2.gz QRYDGXFYOUKUKF-HXUWFJFHSA-N 2 2 339.483 4.046 20 0 EIADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423452059 1038231117 /nfs/dbraw/zinc/23/11/17/1038231117.db2.gz VVUNIEXZQAVKKR-NVGCLXPQSA-N 2 2 340.364 4.259 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000491212081 1038268886 /nfs/dbraw/zinc/26/88/86/1038268886.db2.gz GWBYQJIKSZVXQB-GOSISDBHSA-N 2 2 349.522 4.276 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000423518023 1038273330 /nfs/dbraw/zinc/27/33/30/1038273330.db2.gz ZAPXYKSXSQXWFT-RTBURBONSA-N 2 2 342.483 4.007 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000423527733 1038279660 /nfs/dbraw/zinc/27/96/60/1038279660.db2.gz MPAOZMILJDEOLO-MQNAVGNWSA-N 2 2 343.474 4.155 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000608072983 1038489939 /nfs/dbraw/zinc/48/99/39/1038489939.db2.gz MXLODMKHEZALEQ-IBGZPJMESA-N 2 2 349.409 4.379 20 0 EIADLP COc1ccccc1/C=C\C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075427 1038494619 /nfs/dbraw/zinc/49/46/19/1038494619.db2.gz VXJYWFCYWZYLBW-CRLZUZNUSA-N 2 2 347.462 4.016 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000424257002 1038758602 /nfs/dbraw/zinc/75/86/02/1038758602.db2.gz AWPOSJRWNUWOHD-AWEZNQCLSA-N 2 2 345.874 4.063 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000554966287 1038796952 /nfs/dbraw/zinc/79/69/52/1038796952.db2.gz ZIGKHPWXEYRQMA-ZDUSSCGKSA-N 2 2 335.885 4.426 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480757525 1038799861 /nfs/dbraw/zinc/79/98/61/1038799861.db2.gz LUIRLQWZTIHAHY-AGIUHOORSA-N 2 2 342.270 4.024 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616700 1038907344 /nfs/dbraw/zinc/90/73/44/1038907344.db2.gz WCMLOBXXQLYOSZ-WBVHZDCISA-N 2 2 329.513 4.115 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616700 1038907373 /nfs/dbraw/zinc/90/73/73/1038907373.db2.gz WCMLOBXXQLYOSZ-WBVHZDCISA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616700 1038907390 /nfs/dbraw/zinc/90/73/90/1038907390.db2.gz WCMLOBXXQLYOSZ-WBVHZDCISA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616700 1038907410 /nfs/dbraw/zinc/90/74/10/1038907410.db2.gz WCMLOBXXQLYOSZ-WBVHZDCISA-N 2 2 329.513 4.115 20 0 EIADLP CCCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000537617819 1038934757 /nfs/dbraw/zinc/93/47/57/1038934757.db2.gz DZBZULXDYXTMOJ-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000537617819 1038934792 /nfs/dbraw/zinc/93/47/92/1038934792.db2.gz DZBZULXDYXTMOJ-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000537617819 1038934817 /nfs/dbraw/zinc/93/48/17/1038934817.db2.gz DZBZULXDYXTMOJ-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000537617819 1038934855 /nfs/dbraw/zinc/93/48/55/1038934855.db2.gz DZBZULXDYXTMOJ-PKOBYXMFSA-N 2 2 348.531 4.179 20 0 EIADLP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481045422 1038979335 /nfs/dbraw/zinc/97/93/35/1038979335.db2.gz XDVPTBVWDXHOBP-HZPDHXFCSA-N 2 2 339.414 4.130 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000534063861 1039061876 /nfs/dbraw/zinc/06/18/76/1039061876.db2.gz QJYMXHDVLDGUDI-IJXRJRJASA-N 2 2 342.527 4.053 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667390 1039273777 /nfs/dbraw/zinc/27/37/77/1039273777.db2.gz UCOXMCHUBGJWPQ-LAUBAEHRSA-N 2 2 338.499 4.133 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000090667129 1039275796 /nfs/dbraw/zinc/27/57/96/1039275796.db2.gz HMKOWEVXSGHIRL-JKSUJKDBSA-N 2 2 335.561 4.117 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000550795757 1039303810 /nfs/dbraw/zinc/30/38/10/1039303810.db2.gz KKCKKFYSXCRPIY-MJGOQNOKSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000550795757 1039303828 /nfs/dbraw/zinc/30/38/28/1039303828.db2.gz KKCKKFYSXCRPIY-MJGOQNOKSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000550795755 1039306488 /nfs/dbraw/zinc/30/64/88/1039306488.db2.gz KKCKKFYSXCRPIY-HKUYNNGSSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000550795755 1039306506 /nfs/dbraw/zinc/30/65/06/1039306506.db2.gz KKCKKFYSXCRPIY-HKUYNNGSSA-N 2 2 332.850 4.404 20 0 EIADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000121369875 1039369368 /nfs/dbraw/zinc/36/93/68/1039369368.db2.gz WGEFCOIGQKFKLL-GOSISDBHSA-N 2 2 329.875 4.445 20 0 EIADLP c1ccc(NC[C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]c1 ZINC000092812712 1039594748 /nfs/dbraw/zinc/59/47/48/1039594748.db2.gz BGJSPSGZKQTQNL-IBGZPJMESA-N 2 2 344.462 4.078 20 0 EIADLP c1ccc(NC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]c1 ZINC000092812712 1039594760 /nfs/dbraw/zinc/59/47/60/1039594760.db2.gz BGJSPSGZKQTQNL-IBGZPJMESA-N 2 2 344.462 4.078 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000093398118 1039685365 /nfs/dbraw/zinc/68/53/65/1039685365.db2.gz HDPZRCBSUOJCIX-INIZCTEOSA-N 2 2 329.513 4.226 20 0 EIADLP Fc1ccc(Cl)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677475 1039811078 /nfs/dbraw/zinc/81/10/78/1039811078.db2.gz XCEBPVORDGBKER-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000550990267 1039854761 /nfs/dbraw/zinc/85/47/61/1039854761.db2.gz FZBNQKFQXNIYJC-ROUUACIJSA-N 2 2 346.421 4.213 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000550990267 1039854763 /nfs/dbraw/zinc/85/47/63/1039854763.db2.gz FZBNQKFQXNIYJC-ROUUACIJSA-N 2 2 346.421 4.213 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1C(C)(C)C ZINC000535088831 1039955555 /nfs/dbraw/zinc/95/55/55/1039955555.db2.gz XMWHMPUKFWWQIN-MRXNPFEDSA-N 2 2 325.500 4.410 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)cc1 ZINC000553092244 1039972881 /nfs/dbraw/zinc/97/28/81/1039972881.db2.gz WQRJRSSYOGGHHF-OAQYLSRUSA-N 2 2 341.474 4.422 20 0 EIADLP Fc1ccccc1[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000482074515 1039982141 /nfs/dbraw/zinc/98/21/41/1039982141.db2.gz WHXVLYNKSMJYNE-WMZOPIPTSA-N 2 2 339.458 4.115 20 0 EIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000482166295 1040056794 /nfs/dbraw/zinc/05/67/94/1040056794.db2.gz SWUHSYMFBNNDCV-QAPCUYQASA-N 2 2 347.528 4.393 20 0 EIADLP CCOc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000514633917 1040070551 /nfs/dbraw/zinc/07/05/51/1040070551.db2.gz RXTGFMJMJYFLJB-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CCOc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000514633917 1040070570 /nfs/dbraw/zinc/07/05/70/1040070570.db2.gz RXTGFMJMJYFLJB-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000514636168 1040071641 /nfs/dbraw/zinc/07/16/41/1040071641.db2.gz PRQFVLIDRGBFJM-MRXNPFEDSA-N 2 2 344.462 4.185 20 0 EIADLP Cc1cccc2[nH]c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc21 ZINC000668075584 1040357283 /nfs/dbraw/zinc/35/72/83/1040357283.db2.gz VVCLUQCHXWWQBH-UHFFFAOYSA-N 2 2 335.451 4.223 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482623082 1040399812 /nfs/dbraw/zinc/39/98/12/1040399812.db2.gz YJGOWTRTLHDDRJ-NRFANRHFSA-N 2 2 346.559 4.041 20 0 EIADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492041 1040401529 /nfs/dbraw/zinc/40/15/29/1040401529.db2.gz UNWMOMVEEKMUSS-YJNKEBTESA-N 2 2 332.454 4.350 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403654 1040412080 /nfs/dbraw/zinc/41/20/80/1040412080.db2.gz ABSHLZUCBQJDBF-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403654 1040412092 /nfs/dbraw/zinc/41/20/92/1040412092.db2.gz ABSHLZUCBQJDBF-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403654 1040412098 /nfs/dbraw/zinc/41/20/98/1040412098.db2.gz ABSHLZUCBQJDBF-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403654 1040412106 /nfs/dbraw/zinc/41/21/06/1040412106.db2.gz ABSHLZUCBQJDBF-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP CC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000479488587 1040419797 /nfs/dbraw/zinc/41/97/97/1040419797.db2.gz JIMSMXDEUIRARH-JLMIFGBASA-N 2 2 329.532 4.098 20 0 EIADLP CC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000479488587 1040419805 /nfs/dbraw/zinc/41/98/05/1040419805.db2.gz JIMSMXDEUIRARH-JLMIFGBASA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cc2[nH]c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc2c(C)c1 ZINC000479528212 1040426548 /nfs/dbraw/zinc/42/65/48/1040426548.db2.gz ODUZDGUGBJFFEB-UHFFFAOYSA-N 2 2 330.435 4.260 20 0 EIADLP CCOc1cccc2cc([C@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)oc21 ZINC000479519928 1040437144 /nfs/dbraw/zinc/43/71/44/1040437144.db2.gz XNTJXDJFHKFRIR-ZLPCBKJTSA-N 2 2 342.483 4.499 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000551779494 1040583391 /nfs/dbraw/zinc/58/33/91/1040583391.db2.gz ZZTNIPARZMTFMI-YESZJQIVSA-N 2 2 349.400 4.143 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483136644 1040716639 /nfs/dbraw/zinc/71/66/39/1040716639.db2.gz SFXJAOLZQSIUHN-AZUAARDMSA-N 2 2 346.478 4.192 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000479870927 1040732830 /nfs/dbraw/zinc/73/28/30/1040732830.db2.gz CVDJUVIMVBENGI-QFIPXVFZSA-N 2 2 333.479 4.168 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000479870927 1040732839 /nfs/dbraw/zinc/73/28/39/1040732839.db2.gz CVDJUVIMVBENGI-QFIPXVFZSA-N 2 2 333.479 4.168 20 0 EIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000483347413 1040824332 /nfs/dbraw/zinc/82/43/32/1040824332.db2.gz ADMLPFPFEBQBPP-PZJWPPBQSA-N 2 2 346.563 4.095 20 0 EIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000483347413 1040824342 /nfs/dbraw/zinc/82/43/42/1040824342.db2.gz ADMLPFPFEBQBPP-PZJWPPBQSA-N 2 2 346.563 4.095 20 0 EIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000483347413 1040824345 /nfs/dbraw/zinc/82/43/45/1040824345.db2.gz ADMLPFPFEBQBPP-PZJWPPBQSA-N 2 2 346.563 4.095 20 0 EIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000483347413 1040824351 /nfs/dbraw/zinc/82/43/51/1040824351.db2.gz ADMLPFPFEBQBPP-PZJWPPBQSA-N 2 2 346.563 4.095 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(Cl)c1 ZINC000436045944 1040837327 /nfs/dbraw/zinc/83/73/27/1040837327.db2.gz AAZMLIUXAPEVHS-LSDHHAIUSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(Cl)c1 ZINC000436045944 1040837331 /nfs/dbraw/zinc/83/73/31/1040837331.db2.gz AAZMLIUXAPEVHS-LSDHHAIUSA-N 2 2 349.931 4.278 20 0 EIADLP Fc1ccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000480085509 1040922123 /nfs/dbraw/zinc/92/21/23/1040922123.db2.gz LVTJLNILGRDWJK-LJQANCHMSA-N 2 2 343.833 4.249 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537980878 1040948984 /nfs/dbraw/zinc/94/89/84/1040948984.db2.gz OIJARRVZJYUPQN-STZQEDGTSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537980878 1040949010 /nfs/dbraw/zinc/94/90/10/1040949010.db2.gz OIJARRVZJYUPQN-STZQEDGTSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000462805136 1040971374 /nfs/dbraw/zinc/97/13/74/1040971374.db2.gz MJTAMGJJFYDZKO-CVEARBPZSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000462805136 1040971399 /nfs/dbraw/zinc/97/13/99/1040971399.db2.gz MJTAMGJJFYDZKO-CVEARBPZSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000483804559 1041015316 /nfs/dbraw/zinc/01/53/16/1041015316.db2.gz HCYKRGKTFPYLMS-RXVVDRJESA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000483804559 1041015322 /nfs/dbraw/zinc/01/53/22/1041015322.db2.gz HCYKRGKTFPYLMS-RXVVDRJESA-N 2 2 329.532 4.242 20 0 EIADLP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)CCC2 ZINC000480160288 1041015379 /nfs/dbraw/zinc/01/53/79/1041015379.db2.gz OGJZAOPLAIHKTK-KRWDZBQOSA-N 2 2 343.540 4.195 20 0 EIADLP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)CCC2 ZINC000480160288 1041015390 /nfs/dbraw/zinc/01/53/90/1041015390.db2.gz OGJZAOPLAIHKTK-KRWDZBQOSA-N 2 2 343.540 4.195 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000480160297 1041018274 /nfs/dbraw/zinc/01/82/74/1041018274.db2.gz OHEJMGNNZFHAHX-GFCCVEGCSA-N 2 2 346.849 4.466 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](c1cccnc1)C(C)C)c1ccccc1 ZINC000538060567 1041030008 /nfs/dbraw/zinc/03/00/08/1041030008.db2.gz NNKYZICGTMYVAD-SFTDATJTSA-N 2 2 325.500 4.451 20 0 EIADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000554375589 1041061812 /nfs/dbraw/zinc/06/18/12/1041061812.db2.gz SEGPSLKULUCISA-CKUJCDMFSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)C[NH+]1CCCC1 ZINC000462881679 1041064918 /nfs/dbraw/zinc/06/49/18/1041064918.db2.gz PWYMTDNYEOICEZ-CABCVRRESA-N 2 2 347.503 4.332 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCCn1cc[nH+]c1 ZINC000554553019 1041236449 /nfs/dbraw/zinc/23/64/49/1041236449.db2.gz BAEUUJYONQESFT-QINSGFPZSA-N 2 2 337.389 4.375 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000484494387 1041301853 /nfs/dbraw/zinc/30/18/53/1041301853.db2.gz VXVXPKYDOSFCQZ-UWVAXJGDSA-N 2 2 326.484 4.403 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000484494387 1041301864 /nfs/dbraw/zinc/30/18/64/1041301864.db2.gz VXVXPKYDOSFCQZ-UWVAXJGDSA-N 2 2 326.484 4.403 20 0 EIADLP Cc1cccc(C)c1OC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000538391673 1041311786 /nfs/dbraw/zinc/31/17/86/1041311786.db2.gz PBRPNUHWEUJUQR-NRFANRHFSA-N 2 2 349.478 4.300 20 0 EIADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000516386448 1041557386 /nfs/dbraw/zinc/55/73/86/1041557386.db2.gz NWHQKKDCKVMGCZ-FQEVSTJZSA-N 2 2 333.435 4.048 20 0 EIADLP CCc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000540757542 1041643533 /nfs/dbraw/zinc/64/35/33/1041643533.db2.gz XNBBWCBQJJRVPW-GDBMZVCRSA-N 2 2 344.528 4.019 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)CC1 ZINC000516621583 1041677481 /nfs/dbraw/zinc/67/74/81/1041677481.db2.gz RNOJZOGFVPSXBN-KOUHRCEDSA-N 2 2 330.516 4.005 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccnc1 ZINC000366674373 1041836994 /nfs/dbraw/zinc/83/69/94/1041836994.db2.gz GSZBAEJCPGDOBA-LJQANCHMSA-N 2 2 329.513 4.239 20 0 EIADLP Cc1ccc2cc([C@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)oc2c1 ZINC000425954337 1042067896 /nfs/dbraw/zinc/06/78/96/1042067896.db2.gz ZCYZLUICKNIHFU-INIZCTEOSA-N 2 2 335.451 4.456 20 0 EIADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000550000704 1042123630 /nfs/dbraw/zinc/12/36/30/1042123630.db2.gz WVFMBIWWTKWCIM-SZPZYZBQSA-N 2 2 349.522 4.077 20 0 EIADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000550000704 1042123635 /nfs/dbraw/zinc/12/36/35/1042123635.db2.gz WVFMBIWWTKWCIM-SZPZYZBQSA-N 2 2 349.522 4.077 20 0 EIADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000550000704 1042123638 /nfs/dbraw/zinc/12/36/38/1042123638.db2.gz WVFMBIWWTKWCIM-SZPZYZBQSA-N 2 2 349.522 4.077 20 0 EIADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000550000704 1042123643 /nfs/dbraw/zinc/12/36/43/1042123643.db2.gz WVFMBIWWTKWCIM-SZPZYZBQSA-N 2 2 349.522 4.077 20 0 EIADLP C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542010146 1042231017 /nfs/dbraw/zinc/23/10/17/1042231017.db2.gz WMJKEUYSTCWBAB-INIZCTEOSA-N 2 2 339.414 4.131 20 0 EIADLP CC(C)c1[nH+]c(CNc2ccc(N3CCCC3)[nH+]c2)c2ccccn21 ZINC000517945954 1042287461 /nfs/dbraw/zinc/28/74/61/1042287461.db2.gz ONCBDRBBDJBIOZ-UHFFFAOYSA-N 2 2 335.455 4.065 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3nc4ccccc4o3)c2)CC1 ZINC000638568253 1042429891 /nfs/dbraw/zinc/42/98/91/1042429891.db2.gz YRIBWXIOLOUZIJ-UHFFFAOYSA-N 2 2 349.478 4.350 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000439012727 1042467536 /nfs/dbraw/zinc/46/75/36/1042467536.db2.gz TZLGLDQTLVMQQO-HXUWFJFHSA-N 2 2 340.442 4.450 20 0 EIADLP Fc1cc(C2CC2)ccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491586461 1042473038 /nfs/dbraw/zinc/47/30/38/1042473038.db2.gz NPUBYTFMXCWWSW-UHFFFAOYSA-N 2 2 327.428 4.240 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000177291415 1042833315 /nfs/dbraw/zinc/83/33/15/1042833315.db2.gz CNAFVFPBZIIZKL-KRWDZBQOSA-N 2 2 331.463 4.487 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000237177270 1042870531 /nfs/dbraw/zinc/87/05/31/1042870531.db2.gz BKFURRCDALGCFC-MRXNPFEDSA-N 2 2 342.458 4.150 20 0 EIADLP C[N@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000493680831 1042951365 /nfs/dbraw/zinc/95/13/65/1042951365.db2.gz NLJIXYGPRTXKNB-UHFFFAOYSA-N 2 2 344.449 4.104 20 0 EIADLP C[N@@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000493680831 1042951373 /nfs/dbraw/zinc/95/13/73/1042951373.db2.gz NLJIXYGPRTXKNB-UHFFFAOYSA-N 2 2 344.449 4.104 20 0 EIADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000507830682 1043129658 /nfs/dbraw/zinc/12/96/58/1043129658.db2.gz MUHSYUFGBVCCIT-LJQANCHMSA-N 2 2 334.454 4.339 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3CCC[C@@H](C)C3)CCCC2)no1 ZINC000507952402 1043206645 /nfs/dbraw/zinc/20/66/45/1043206645.db2.gz QWHQHTNFAJVAFA-SJORKVTESA-N 2 2 348.535 4.097 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3CCC[C@H](C)C3)CCCC2)no1 ZINC000507951954 1043207750 /nfs/dbraw/zinc/20/77/50/1043207750.db2.gz QWHQHTNFAJVAFA-DLBZAZTESA-N 2 2 348.535 4.097 20 0 EIADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876895 1043234316 /nfs/dbraw/zinc/23/43/16/1043234316.db2.gz NJRWUGCUDHSBNT-JKSUJKDBSA-N 2 2 337.389 4.348 20 0 EIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427880356 1043247697 /nfs/dbraw/zinc/24/76/97/1043247697.db2.gz FFWWPHARDSUHMC-DENIHFKCSA-N 2 2 331.463 4.194 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887238 1043251600 /nfs/dbraw/zinc/25/16/00/1043251600.db2.gz SCTJPLRFZJDWJK-GJZGRUSLSA-N 2 2 338.282 4.116 20 0 EIADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CCCC1 ZINC000665247519 1043253613 /nfs/dbraw/zinc/25/36/13/1043253613.db2.gz DLILCASFOIVNGW-NRFANRHFSA-N 2 2 349.453 4.324 20 0 EIADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347870099 1043267464 /nfs/dbraw/zinc/26/74/64/1043267464.db2.gz FZEVPSDBCOUWPX-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347870099 1043267480 /nfs/dbraw/zinc/26/74/80/1043267480.db2.gz FZEVPSDBCOUWPX-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000428047508 1043307618 /nfs/dbraw/zinc/30/76/18/1043307618.db2.gz YVYGBMIZZSKGNX-PKOBYXMFSA-N 2 2 341.524 4.117 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000428047508 1043307628 /nfs/dbraw/zinc/30/76/28/1043307628.db2.gz YVYGBMIZZSKGNX-PKOBYXMFSA-N 2 2 341.524 4.117 20 0 EIADLP COCC(C)(C)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000672616975 1043320850 /nfs/dbraw/zinc/32/08/50/1043320850.db2.gz WMBGNOWAHRIPGT-IBGZPJMESA-N 2 2 332.532 4.082 20 0 EIADLP COCC(C)(C)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000672616975 1043320858 /nfs/dbraw/zinc/32/08/58/1043320858.db2.gz WMBGNOWAHRIPGT-IBGZPJMESA-N 2 2 332.532 4.082 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCCC3(C)C)CC2)cc1 ZINC000766189626 1043398012 /nfs/dbraw/zinc/39/80/12/1043398012.db2.gz GLLPCIWJFIAJRZ-FQEVSTJZSA-N 2 2 329.532 4.280 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1sccc1C)c1ccccc1 ZINC000165991753 1043426958 /nfs/dbraw/zinc/42/69/58/1043426958.db2.gz QHZHLILGRDTNRI-MJGOQNOKSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1sccc1C)c1ccccc1 ZINC000165991753 1043426965 /nfs/dbraw/zinc/42/69/65/1043426965.db2.gz QHZHLILGRDTNRI-MJGOQNOKSA-N 2 2 346.540 4.417 20 0 EIADLP Cc1nc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000189947660 1043661374 /nfs/dbraw/zinc/66/13/74/1043661374.db2.gz XLLQOSYRHOCZQM-HUUCEWRRSA-N 2 2 343.540 4.006 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192151749 1043882699 /nfs/dbraw/zinc/88/26/99/1043882699.db2.gz XDWOGXVMBMLQHA-HNNXBMFYSA-N 2 2 339.414 4.179 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000192160413 1043886737 /nfs/dbraw/zinc/88/67/37/1043886737.db2.gz PZKGHVHCRFMNKR-UHFFFAOYSA-N 2 2 341.405 4.484 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1cnc(-c2ccco2)s1)Cc1ccccc1 ZINC000192985005 1043988878 /nfs/dbraw/zinc/98/88/78/1043988878.db2.gz JVQFUIMPNAHEDW-UHFFFAOYSA-N 2 2 341.480 4.015 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1cnc(-c2ccco2)s1)Cc1ccccc1 ZINC000192985005 1043988894 /nfs/dbraw/zinc/98/88/94/1043988894.db2.gz JVQFUIMPNAHEDW-UHFFFAOYSA-N 2 2 341.480 4.015 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)[N@@H+]1CCc2ccccc2C1 ZINC000521820327 1044010176 /nfs/dbraw/zinc/01/01/76/1044010176.db2.gz KWXAIBCQDDPASN-QFIPXVFZSA-N 2 2 347.506 4.340 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)[N@H+]1CCc2ccccc2C1 ZINC000521820327 1044010186 /nfs/dbraw/zinc/01/01/86/1044010186.db2.gz KWXAIBCQDDPASN-QFIPXVFZSA-N 2 2 347.506 4.340 20 0 EIADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207489 1044135065 /nfs/dbraw/zinc/13/50/65/1044135065.db2.gz CPKBTSFMRYJWFG-RDTXWAMCSA-N 2 2 327.859 4.156 20 0 EIADLP Clc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207489 1044135073 /nfs/dbraw/zinc/13/50/73/1044135073.db2.gz CPKBTSFMRYJWFG-RDTXWAMCSA-N 2 2 327.859 4.156 20 0 EIADLP C[C@H]1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)C1 ZINC000766107790 1044188477 /nfs/dbraw/zinc/18/84/77/1044188477.db2.gz JSRQIKYTWPNXLQ-IAGOWNOFSA-N 2 2 329.532 4.136 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000474043557 1044267004 /nfs/dbraw/zinc/26/70/04/1044267004.db2.gz ZMAVHUXXYKTZLP-NRFANRHFSA-N 2 2 347.462 4.393 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000766192899 1044399918 /nfs/dbraw/zinc/39/99/18/1044399918.db2.gz XQLMNRGKHADQKP-CMKODMSKSA-N 2 2 341.543 4.280 20 0 EIADLP C[C@@H]1CC([NH2+][C@H]2COc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020849 1044401146 /nfs/dbraw/zinc/40/11/46/1044401146.db2.gz NXYIKSVZONJHTI-LZJOCLMNSA-N 2 2 336.479 4.151 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675809783 1044508299 /nfs/dbraw/zinc/50/82/99/1044508299.db2.gz MMYLJFZFSWNUDO-QILLFSRXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675809783 1044508306 /nfs/dbraw/zinc/50/83/06/1044508306.db2.gz MMYLJFZFSWNUDO-QILLFSRXSA-N 2 2 329.513 4.013 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1OCC ZINC000675833489 1044521007 /nfs/dbraw/zinc/52/10/07/1044521007.db2.gz KRUMSXBYLNEQSN-MOPGFXCFSA-N 2 2 346.515 4.009 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1OCC ZINC000675833489 1044521024 /nfs/dbraw/zinc/52/10/24/1044521024.db2.gz KRUMSXBYLNEQSN-MOPGFXCFSA-N 2 2 346.515 4.009 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[NH+]1CCCCC1 ZINC000543418747 1044562107 /nfs/dbraw/zinc/56/21/07/1044562107.db2.gz KFEGUKVVYVNKMR-GJZGRUSLSA-N 2 2 348.922 4.142 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675921040 1044562227 /nfs/dbraw/zinc/56/22/27/1044562227.db2.gz LIVVPPJKNKOFCC-NVXWUHKLSA-N 2 2 325.481 4.425 20 0 EIADLP CC[C@H](Cc1cccs1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922192 1044563348 /nfs/dbraw/zinc/56/33/48/1044563348.db2.gz NYAAIYYGHKWNHZ-IEBWSBKVSA-N 2 2 339.508 4.376 20 0 EIADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922795 1044564826 /nfs/dbraw/zinc/56/48/26/1044564826.db2.gz QTBAIJCRLOKDIP-BBTUJRGHSA-N 2 2 333.479 4.486 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000675924204 1044567255 /nfs/dbraw/zinc/56/72/55/1044567255.db2.gz WPLSHDIYSYREPW-UXHICEINSA-N 2 2 335.426 4.120 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000191497467 1044642195 /nfs/dbraw/zinc/64/21/95/1044642195.db2.gz XSJMHHITSWBIJH-OAHLLOKOSA-N 2 2 332.492 4.204 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000191497467 1044642203 /nfs/dbraw/zinc/64/22/03/1044642203.db2.gz XSJMHHITSWBIJH-OAHLLOKOSA-N 2 2 332.492 4.204 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000676236112 1044687745 /nfs/dbraw/zinc/68/77/45/1044687745.db2.gz WIPCCMLFLZXALL-KRWDZBQOSA-N 2 2 333.863 4.129 20 0 EIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1OC ZINC000922620366 1044847457 /nfs/dbraw/zinc/84/74/57/1044847457.db2.gz AHCQTEYVJWAOID-QGZVFWFLSA-N 2 2 345.443 4.322 20 0 EIADLP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c2ccccc12 ZINC000922629872 1044856094 /nfs/dbraw/zinc/85/60/94/1044856094.db2.gz ANYWKYXKDBEHIZ-NRFANRHFSA-N 2 2 349.478 4.026 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000673600665 1044859621 /nfs/dbraw/zinc/85/96/21/1044859621.db2.gz GAFMGZSUFQACPA-RVDMUPIBSA-N 2 2 337.389 4.375 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000673601833 1044861823 /nfs/dbraw/zinc/86/18/23/1044861823.db2.gz SNDLOVNGAAUIQS-WAFIBAPDSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673601833 1044861825 /nfs/dbraw/zinc/86/18/25/1044861825.db2.gz SNDLOVNGAAUIQS-WAFIBAPDSA-N 2 2 338.417 4.183 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000508990317 1044879176 /nfs/dbraw/zinc/87/91/76/1044879176.db2.gz JHYZNPIETOEZQJ-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000508990317 1044879180 /nfs/dbraw/zinc/87/91/80/1044879180.db2.gz JHYZNPIETOEZQJ-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508990317 1044879184 /nfs/dbraw/zinc/87/91/84/1044879184.db2.gz JHYZNPIETOEZQJ-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508990317 1044879186 /nfs/dbraw/zinc/87/91/86/1044879186.db2.gz JHYZNPIETOEZQJ-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3cccc4cccc2c43)s1 ZINC000895933584 1044996459 /nfs/dbraw/zinc/99/64/59/1044996459.db2.gz FMLFWJGHFNYHJE-SFHVURJKSA-N 2 2 337.492 4.135 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000347765988 1045020183 /nfs/dbraw/zinc/02/01/83/1045020183.db2.gz DIVPJMHKPGKISF-QHCPKHFHSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000347765988 1045020187 /nfs/dbraw/zinc/02/01/87/1045020187.db2.gz DIVPJMHKPGKISF-QHCPKHFHSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000347765988 1045020209 /nfs/dbraw/zinc/02/02/09/1045020209.db2.gz DIVPJMHKPGKISF-QHCPKHFHSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000347765988 1045020226 /nfs/dbraw/zinc/02/02/26/1045020226.db2.gz DIVPJMHKPGKISF-QHCPKHFHSA-N 2 2 349.522 4.132 20 0 EIADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766231139 1045030491 /nfs/dbraw/zinc/03/04/91/1045030491.db2.gz WSRNZXDMJBFCGV-UTKZUKDTSA-N 2 2 329.532 4.280 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(C)o1 ZINC000495415507 1045068084 /nfs/dbraw/zinc/06/80/84/1045068084.db2.gz QSBKIPJVZAWWLV-LSTHTHJFSA-N 2 2 348.531 4.298 20 0 EIADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000766259411 1045251215 /nfs/dbraw/zinc/25/12/15/1045251215.db2.gz YLSAAUYOGXAUSR-BYCMXARLSA-N 2 2 343.298 4.137 20 0 EIADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237202224 1045376576 /nfs/dbraw/zinc/37/65/76/1045376576.db2.gz QHRGMGXVQSTRPP-NQIIRXRSSA-N 2 2 338.495 4.053 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237508327 1045386521 /nfs/dbraw/zinc/38/65/21/1045386521.db2.gz BXBDGBLGGQRTOG-INIZCTEOSA-N 2 2 329.513 4.164 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000237508327 1045386531 /nfs/dbraw/zinc/38/65/31/1045386531.db2.gz BXBDGBLGGQRTOG-INIZCTEOSA-N 2 2 329.513 4.164 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000237534064 1045388634 /nfs/dbraw/zinc/38/86/34/1045388634.db2.gz VBECAJLHNSDCJL-KRWDZBQOSA-N 2 2 335.495 4.280 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247139722 1045842676 /nfs/dbraw/zinc/84/26/76/1045842676.db2.gz SDYCSVZHSXZQRF-UWWQBHOKSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247139722 1045842680 /nfs/dbraw/zinc/84/26/80/1045842680.db2.gz SDYCSVZHSXZQRF-UWWQBHOKSA-N 2 2 329.513 4.013 20 0 EIADLP CC[N@H+](CC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C1CC1 ZINC000769016737 1045877911 /nfs/dbraw/zinc/87/79/11/1045877911.db2.gz GOPDYELQKBMYRR-UHFFFAOYSA-N 2 2 344.543 4.014 20 0 EIADLP CC[N@@H+](CC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C1CC1 ZINC000769016737 1045877920 /nfs/dbraw/zinc/87/79/20/1045877920.db2.gz GOPDYELQKBMYRR-UHFFFAOYSA-N 2 2 344.543 4.014 20 0 EIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCCCC2 ZINC001170005448 1045911616 /nfs/dbraw/zinc/91/16/16/1045911616.db2.gz WTFUPYHAMGDNIA-UXHICEINSA-N 2 2 339.483 4.090 20 0 EIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCCCC2 ZINC001170005450 1045912617 /nfs/dbraw/zinc/91/26/17/1045912617.db2.gz WTFUPYHAMGDNIA-VQTJNVASSA-N 2 2 339.483 4.090 20 0 EIADLP C[C@H](CCC1CC1)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000769419450 1045957058 /nfs/dbraw/zinc/95/70/58/1045957058.db2.gz USRCMSBOYAELRP-QGZVFWFLSA-N 2 2 329.532 4.455 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469599 1045986348 /nfs/dbraw/zinc/98/63/48/1045986348.db2.gz AYYOBWTXISBHFA-STQMWFEESA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469599 1045986362 /nfs/dbraw/zinc/98/63/62/1045986362.db2.gz AYYOBWTXISBHFA-STQMWFEESA-N 2 2 332.460 4.040 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469599 1045986341 /nfs/dbraw/zinc/98/63/41/1045986341.db2.gz AYYOBWTXISBHFA-STQMWFEESA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469599 1045986357 /nfs/dbraw/zinc/98/63/57/1045986357.db2.gz AYYOBWTXISBHFA-STQMWFEESA-N 2 2 332.460 4.040 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000037150380 1046014125 /nfs/dbraw/zinc/01/41/25/1046014125.db2.gz ATCKDADYTJWIBQ-CQSZACIVSA-N 2 2 339.321 4.364 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000161595095 1046019089 /nfs/dbraw/zinc/01/90/89/1046019089.db2.gz OSGVTGWKOAKGAM-ZDUSSCGKSA-N 2 2 330.394 4.110 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000769874930 1046102393 /nfs/dbraw/zinc/10/23/93/1046102393.db2.gz ZDBYBDCXDOQGEM-BXWFABGCSA-N 2 2 341.499 4.249 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000769874930 1046102377 /nfs/dbraw/zinc/10/23/77/1046102377.db2.gz ZDBYBDCXDOQGEM-BXWFABGCSA-N 2 2 341.499 4.249 20 0 EIADLP CCc1noc(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119979 1046326843 /nfs/dbraw/zinc/32/68/43/1046326843.db2.gz FRIAGKUGWVWTMP-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119979 1046326858 /nfs/dbraw/zinc/32/68/58/1046326858.db2.gz FRIAGKUGWVWTMP-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119979 1046326880 /nfs/dbraw/zinc/32/68/80/1046326880.db2.gz FRIAGKUGWVWTMP-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119979 1046326895 /nfs/dbraw/zinc/32/68/95/1046326895.db2.gz FRIAGKUGWVWTMP-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CC[N@@H+](Cc1ccsc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000508696567 1046327233 /nfs/dbraw/zinc/32/72/33/1046327233.db2.gz VWINLOJCGCCLKC-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP CC[N@H+](Cc1ccsc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000508696567 1046327240 /nfs/dbraw/zinc/32/72/40/1046327240.db2.gz VWINLOJCGCCLKC-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677825 1046663642 /nfs/dbraw/zinc/66/36/42/1046663642.db2.gz MDEYLBSEHWWCDG-KRWDZBQOSA-N 2 2 329.513 4.116 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677825 1046663650 /nfs/dbraw/zinc/66/36/50/1046663650.db2.gz MDEYLBSEHWWCDG-KRWDZBQOSA-N 2 2 329.513 4.116 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677825 1046663656 /nfs/dbraw/zinc/66/36/56/1046663656.db2.gz MDEYLBSEHWWCDG-KRWDZBQOSA-N 2 2 329.513 4.116 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)s1 ZINC000536677825 1046663664 /nfs/dbraw/zinc/66/36/64/1046663664.db2.gz MDEYLBSEHWWCDG-KRWDZBQOSA-N 2 2 329.513 4.116 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000536696735 1046695016 /nfs/dbraw/zinc/69/50/16/1046695016.db2.gz NCSSYYQFBVAJES-QGZVFWFLSA-N 2 2 347.572 4.499 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000536696735 1046695027 /nfs/dbraw/zinc/69/50/27/1046695027.db2.gz NCSSYYQFBVAJES-QGZVFWFLSA-N 2 2 347.572 4.499 20 0 EIADLP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636729 1046724369 /nfs/dbraw/zinc/72/43/69/1046724369.db2.gz XTBZBTZYCLBUJQ-APWZRJJASA-N 2 2 329.463 4.172 20 0 EIADLP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636729 1046724378 /nfs/dbraw/zinc/72/43/78/1046724378.db2.gz XTBZBTZYCLBUJQ-APWZRJJASA-N 2 2 329.463 4.172 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654512 1046755372 /nfs/dbraw/zinc/75/53/72/1046755372.db2.gz IRNFSEJVLCPBGX-WSTZPKSXSA-N 2 2 338.495 4.399 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654512 1046755382 /nfs/dbraw/zinc/75/53/82/1046755382.db2.gz IRNFSEJVLCPBGX-WSTZPKSXSA-N 2 2 338.495 4.399 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654510 1046756248 /nfs/dbraw/zinc/75/62/48/1046756248.db2.gz IRNFSEJVLCPBGX-CMKODMSKSA-N 2 2 338.495 4.399 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654510 1046756261 /nfs/dbraw/zinc/75/62/61/1046756261.db2.gz IRNFSEJVLCPBGX-CMKODMSKSA-N 2 2 338.495 4.399 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000536875698 1046837976 /nfs/dbraw/zinc/83/79/76/1046837976.db2.gz ITEVBPMBXHCUAC-NDXORKPFSA-N 2 2 348.506 4.146 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC(C)C)CC2)c1 ZINC001170063864 1046866137 /nfs/dbraw/zinc/86/61/37/1046866137.db2.gz IFBCUYVWTVOLHW-SFHVURJKSA-N 2 2 332.532 4.464 20 0 EIADLP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787295353 1046970920 /nfs/dbraw/zinc/97/09/20/1046970920.db2.gz PBEGMJKWPVGMHQ-IBGZPJMESA-N 3 2 340.515 4.179 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C(C)(C)C)CC2)cc1 ZINC000806142778 1047167997 /nfs/dbraw/zinc/16/79/97/1047167997.db2.gz QQUBCJMNUUEAEG-UXHICEINSA-N 2 2 329.532 4.136 20 0 EIADLP CCC(CC)(C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000788602992 1047242729 /nfs/dbraw/zinc/24/27/29/1047242729.db2.gz QCKZDPTVTVDCBY-IRXDYDNUSA-N 2 2 341.499 4.347 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154707965 1047410187 /nfs/dbraw/zinc/41/01/87/1047410187.db2.gz NJZNJUGBZOFXOO-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154707965 1047410191 /nfs/dbraw/zinc/41/01/91/1047410191.db2.gz NJZNJUGBZOFXOO-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154707965 1047410192 /nfs/dbraw/zinc/41/01/92/1047410192.db2.gz NJZNJUGBZOFXOO-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154707965 1047410196 /nfs/dbraw/zinc/41/01/96/1047410196.db2.gz NJZNJUGBZOFXOO-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000045094440 1047679742 /nfs/dbraw/zinc/67/97/42/1047679742.db2.gz KKPTVVGFYJNRSB-MRXNPFEDSA-N 2 2 336.277 4.167 20 0 EIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000045094439 1047680064 /nfs/dbraw/zinc/68/00/64/1047680064.db2.gz KKPTVVGFYJNRSB-INIZCTEOSA-N 2 2 336.277 4.167 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000550621423 1047765609 /nfs/dbraw/zinc/76/56/09/1047765609.db2.gz BBWFUBYBMZNJEE-IBGZPJMESA-N 2 2 343.902 4.026 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719177 1048061648 /nfs/dbraw/zinc/06/16/48/1048061648.db2.gz BWXZHPBGEMOOLZ-KRWDZBQOSA-N 2 2 341.524 4.118 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719177 1048061664 /nfs/dbraw/zinc/06/16/64/1048061664.db2.gz BWXZHPBGEMOOLZ-KRWDZBQOSA-N 2 2 341.524 4.118 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171089809 1048096671 /nfs/dbraw/zinc/09/66/71/1048096671.db2.gz BXSFNMHCZNKPHL-INIZCTEOSA-N 2 2 339.310 4.021 20 0 EIADLP Brc1cccc(C2([NH2+]CCn3cc[nH+]c3)CCCCC2)c1 ZINC000499051800 1048126901 /nfs/dbraw/zinc/12/69/01/1048126901.db2.gz CLJPHHVCBBPMFV-UHFFFAOYSA-N 2 2 348.288 4.095 20 0 EIADLP COc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCCC2)cc1 ZINC000072961318 1048146408 /nfs/dbraw/zinc/14/64/08/1048146408.db2.gz WDKVHEBDSIUUCK-UHFFFAOYSA-N 2 2 347.462 4.440 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131850841 1048159447 /nfs/dbraw/zinc/15/94/47/1048159447.db2.gz OWYINIUGASQWER-QRFRQXIXSA-N 2 2 341.499 4.364 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1C ZINC000132169880 1048216510 /nfs/dbraw/zinc/21/65/10/1048216510.db2.gz KPJJKCPXJAZAKI-IBGZPJMESA-N 2 2 333.479 4.442 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143810113 1048220368 /nfs/dbraw/zinc/22/03/68/1048220368.db2.gz MSZWPJXKCFWAOY-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143810113 1048220383 /nfs/dbraw/zinc/22/03/83/1048220383.db2.gz MSZWPJXKCFWAOY-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132696 1048391407 /nfs/dbraw/zinc/39/14/07/1048391407.db2.gz FWSBAXZXGNFVGJ-RBUKOAKNSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132696 1048391414 /nfs/dbraw/zinc/39/14/14/1048391414.db2.gz FWSBAXZXGNFVGJ-RBUKOAKNSA-N 2 2 342.870 4.054 20 0 EIADLP CC[C@@H](C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000809642465 1048450920 /nfs/dbraw/zinc/45/09/20/1048450920.db2.gz GCJCSVSYQPAZHA-INIZCTEOSA-N 2 2 331.529 4.220 20 0 EIADLP CC[C@@H](C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000809642465 1048450924 /nfs/dbraw/zinc/45/09/24/1048450924.db2.gz GCJCSVSYQPAZHA-INIZCTEOSA-N 2 2 331.529 4.220 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(CSC(F)F)o1 ZINC000809750458 1048517728 /nfs/dbraw/zinc/51/77/28/1048517728.db2.gz XCPPUOHCJYLKQI-UHFFFAOYSA-N 2 2 332.460 4.043 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(CSC(F)F)o1 ZINC000809750458 1048517742 /nfs/dbraw/zinc/51/77/42/1048517742.db2.gz XCPPUOHCJYLKQI-UHFFFAOYSA-N 2 2 332.460 4.043 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815649920 1048573021 /nfs/dbraw/zinc/57/30/21/1048573021.db2.gz CGCKFFSCCZHANO-GDBMZVCRSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815649920 1048573029 /nfs/dbraw/zinc/57/30/29/1048573029.db2.gz CGCKFFSCCZHANO-GDBMZVCRSA-N 2 2 348.412 4.104 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171172753 1048629540 /nfs/dbraw/zinc/62/95/40/1048629540.db2.gz RUKOXVZMFJPEDS-OAHLLOKOSA-N 2 2 338.282 4.069 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171172753 1048629541 /nfs/dbraw/zinc/62/95/41/1048629541.db2.gz RUKOXVZMFJPEDS-OAHLLOKOSA-N 2 2 338.282 4.069 20 0 EIADLP CC(C)Oc1ccc2[nH+]ccc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000649267989 1048993713 /nfs/dbraw/zinc/99/37/13/1048993713.db2.gz QPRROHJWASYLGV-INIZCTEOSA-N 2 2 336.439 4.060 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482643 1049008654 /nfs/dbraw/zinc/00/86/54/1049008654.db2.gz RIAMEXJHCCMSBR-HOTGVXAUSA-N 2 2 333.435 4.047 20 0 EIADLP Fc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)c(F)c1 ZINC000136130375 1049348007 /nfs/dbraw/zinc/34/80/07/1049348007.db2.gz BDUCHGNHTYYHRQ-UHFFFAOYSA-N 2 2 339.389 4.320 20 0 EIADLP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000820814866 1049556832 /nfs/dbraw/zinc/55/68/32/1049556832.db2.gz NNQDDFNVPKBQET-FQEVSTJZSA-N 2 2 326.484 4.334 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000812835362 1049604287 /nfs/dbraw/zinc/60/42/87/1049604287.db2.gz QNZWJSKQQPRDJR-VXKWHMMOSA-N 2 2 341.543 4.280 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420655 1049717059 /nfs/dbraw/zinc/71/70/59/1049717059.db2.gz HPJZZGPRFRHACH-LIRRHRJNSA-N 2 2 347.890 4.157 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420655 1049717070 /nfs/dbraw/zinc/71/70/70/1049717070.db2.gz HPJZZGPRFRHACH-LIRRHRJNSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420655 1049717081 /nfs/dbraw/zinc/71/70/81/1049717081.db2.gz HPJZZGPRFRHACH-LIRRHRJNSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420655 1049717091 /nfs/dbraw/zinc/71/70/91/1049717091.db2.gz HPJZZGPRFRHACH-LIRRHRJNSA-N 2 2 347.890 4.157 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCOc3cc(F)cc(F)c32)CC1(C)C ZINC001171624357 1049768427 /nfs/dbraw/zinc/76/84/27/1049768427.db2.gz RUOZCPUZRWHFHI-OAHLLOKOSA-N 2 2 338.442 4.029 20 0 EIADLP C[NH+]1C(C)(C)CC([N@@H+]2CCc3c4ccccc4oc3C2)CC1(C)C ZINC001171642785 1049780993 /nfs/dbraw/zinc/78/09/93/1049780993.db2.gz NICIIEVJOTZOHR-UHFFFAOYSA-N 2 2 326.484 4.442 20 0 EIADLP C[NH+]1C(C)(C)CC([N@H+]2CCc3c4ccccc4oc3C2)CC1(C)C ZINC001171642785 1049780998 /nfs/dbraw/zinc/78/09/98/1049780998.db2.gz NICIIEVJOTZOHR-UHFFFAOYSA-N 2 2 326.484 4.442 20 0 EIADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171773418 1049793396 /nfs/dbraw/zinc/79/33/96/1049793396.db2.gz KXEUMZWBVGQTTE-WWPVKYPJSA-N 2 2 346.449 4.324 20 0 EIADLP CCC1(CC)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001171954308 1049821217 /nfs/dbraw/zinc/82/12/17/1049821217.db2.gz HXEDSGYSFAJDHX-OAQYLSRUSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001171954308 1049821219 /nfs/dbraw/zinc/82/12/19/1049821219.db2.gz HXEDSGYSFAJDHX-OAQYLSRUSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001171954308 1049821221 /nfs/dbraw/zinc/82/12/21/1049821221.db2.gz HXEDSGYSFAJDHX-OAQYLSRUSA-N 2 2 344.543 4.180 20 0 EIADLP CCC1(CC)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001171954308 1049821225 /nfs/dbraw/zinc/82/12/25/1049821225.db2.gz HXEDSGYSFAJDHX-OAQYLSRUSA-N 2 2 344.543 4.180 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962616 1049825021 /nfs/dbraw/zinc/82/50/21/1049825021.db2.gz CGXCOJPUNHNCOU-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962616 1049825025 /nfs/dbraw/zinc/82/50/25/1049825025.db2.gz CGXCOJPUNHNCOU-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983887 1049840693 /nfs/dbraw/zinc/84/06/93/1049840693.db2.gz AVGYTKIZXQPZPY-NRFANRHFSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983887 1049840694 /nfs/dbraw/zinc/84/06/94/1049840694.db2.gz AVGYTKIZXQPZPY-NRFANRHFSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983887 1049840695 /nfs/dbraw/zinc/84/06/95/1049840695.db2.gz AVGYTKIZXQPZPY-NRFANRHFSA-N 2 2 337.511 4.265 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171983887 1049840696 /nfs/dbraw/zinc/84/06/96/1049840696.db2.gz AVGYTKIZXQPZPY-NRFANRHFSA-N 2 2 337.511 4.265 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2(c4ccccn4)CC2)C3)cc1 ZINC001172066454 1049851507 /nfs/dbraw/zinc/85/15/07/1049851507.db2.gz WZFKPXHPCAGJGL-MZADTFQBSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2(c4ccccn4)CC2)C3)cc1 ZINC001172066454 1049851510 /nfs/dbraw/zinc/85/15/10/1049851510.db2.gz WZFKPXHPCAGJGL-MZADTFQBSA-N 2 2 347.506 4.246 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172104384 1049857732 /nfs/dbraw/zinc/85/77/32/1049857732.db2.gz CGDLGFOAOIMSDU-QKDCVEJESA-N 2 2 338.417 4.299 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172104384 1049857736 /nfs/dbraw/zinc/85/77/36/1049857736.db2.gz CGDLGFOAOIMSDU-QKDCVEJESA-N 2 2 338.417 4.299 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000247974862 1050037632 /nfs/dbraw/zinc/03/76/32/1050037632.db2.gz KLZAKUVVBONECR-KKLQWCBXSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000247974862 1050037636 /nfs/dbraw/zinc/03/76/36/1050037636.db2.gz KLZAKUVVBONECR-KKLQWCBXSA-N 2 2 349.522 4.002 20 0 EIADLP CC(C)[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172871788 1050209407 /nfs/dbraw/zinc/20/94/07/1050209407.db2.gz LTNMVJCUWHYHGU-CQSZACIVSA-N 2 2 326.887 4.215 20 0 EIADLP CC(C)[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172871788 1050209422 /nfs/dbraw/zinc/20/94/22/1050209422.db2.gz LTNMVJCUWHYHGU-CQSZACIVSA-N 2 2 326.887 4.215 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000251787802 1050215810 /nfs/dbraw/zinc/21/58/10/1050215810.db2.gz VBBVXXFOJBCGQL-SRVKXCTJSA-N 2 2 331.262 4.410 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000251787802 1050215819 /nfs/dbraw/zinc/21/58/19/1050215819.db2.gz VBBVXXFOJBCGQL-SRVKXCTJSA-N 2 2 331.262 4.410 20 0 EIADLP c1cn(Cc2ccc(Nc3cc[nH+]cc3Oc3ccccc3)cc2)c[nH+]1 ZINC001212692477 1050232089 /nfs/dbraw/zinc/23/20/89/1050232089.db2.gz VSMUSLLSMCKNLT-UHFFFAOYSA-N 2 2 342.402 4.284 20 0 EIADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000091261968 1050244228 /nfs/dbraw/zinc/24/42/28/1050244228.db2.gz JSPVOMDQEIRSOI-MRXNPFEDSA-N 2 2 325.378 4.279 20 0 EIADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(F)c1F ZINC001177575879 1050258541 /nfs/dbraw/zinc/25/85/41/1050258541.db2.gz NXQHNVPMOIYARY-UHFFFAOYSA-N 2 2 340.433 4.238 20 0 EIADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Oc1cccc(Cl)c1 ZINC001177928522 1050336390 /nfs/dbraw/zinc/33/63/90/1050336390.db2.gz MEFHGSXCGHZIFR-ZDUSSCGKSA-N 2 2 347.871 4.144 20 0 EIADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173199135 1050342672 /nfs/dbraw/zinc/34/26/72/1050342672.db2.gz UOOFJNGWMUUMRD-FDYSRKEFSA-N 2 2 330.516 4.087 20 0 EIADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173199135 1050342688 /nfs/dbraw/zinc/34/26/88/1050342688.db2.gz UOOFJNGWMUUMRD-FDYSRKEFSA-N 2 2 330.516 4.087 20 0 EIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001173213631 1050374365 /nfs/dbraw/zinc/37/43/65/1050374365.db2.gz GXFCUMVSKXYSDC-IBGZPJMESA-N 2 2 334.507 4.377 20 0 EIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001173213631 1050374370 /nfs/dbraw/zinc/37/43/70/1050374370.db2.gz GXFCUMVSKXYSDC-IBGZPJMESA-N 2 2 334.507 4.377 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3cnccc3o2)c(C)c1 ZINC001178276089 1050425577 /nfs/dbraw/zinc/42/55/77/1050425577.db2.gz AGTOCCOCSXQCER-HXUWFJFHSA-N 2 2 346.434 4.172 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001173549995 1050486159 /nfs/dbraw/zinc/48/61/59/1050486159.db2.gz JWDPEYQBUFYKHA-CJNGLKHVSA-N 2 2 341.326 4.388 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001173549995 1050486167 /nfs/dbraw/zinc/48/61/67/1050486167.db2.gz JWDPEYQBUFYKHA-CJNGLKHVSA-N 2 2 341.326 4.388 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)[NH+](CC)CC)cc1 ZINC001178827218 1050565321 /nfs/dbraw/zinc/56/53/21/1050565321.db2.gz MSKZFNRJOPVQIH-HBMCJLEFSA-N 2 2 332.532 4.179 20 0 EIADLP CC(C)c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336761 1050569503 /nfs/dbraw/zinc/56/95/03/1050569503.db2.gz LKDKDBPPWJBMKY-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336761 1050569518 /nfs/dbraw/zinc/56/95/18/1050569518.db2.gz LKDKDBPPWJBMKY-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093336761 1050569535 /nfs/dbraw/zinc/56/95/35/1050569535.db2.gz LKDKDBPPWJBMKY-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP CC(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093336761 1050569550 /nfs/dbraw/zinc/56/95/50/1050569550.db2.gz LKDKDBPPWJBMKY-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP CCOc1ccc(C[C@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001178873633 1050577855 /nfs/dbraw/zinc/57/78/55/1050577855.db2.gz WGJXRUNVVRCQMA-SFHVURJKSA-N 2 2 349.478 4.239 20 0 EIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c(C)c1 ZINC001179636620 1050745893 /nfs/dbraw/zinc/74/58/93/1050745893.db2.gz IYFKWWRIEYUVCU-GLJAUCNMSA-N 2 2 337.511 4.303 20 0 EIADLP CC(C)(C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001179681925 1050757856 /nfs/dbraw/zinc/75/78/56/1050757856.db2.gz VESZRQXWUGDRHM-UHFFFAOYSA-N 2 2 347.890 4.141 20 0 EIADLP c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C[NH+]1CCCC1 ZINC001174524153 1051056685 /nfs/dbraw/zinc/05/66/85/1051056685.db2.gz GSVCBTGBUXBKJG-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792878 1051077743 /nfs/dbraw/zinc/07/77/43/1051077743.db2.gz HECMYVRDHLTDPX-OFQRWUPVSA-N 2 2 347.553 4.362 20 0 EIADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792878 1051077755 /nfs/dbraw/zinc/07/77/55/1051077755.db2.gz HECMYVRDHLTDPX-OFQRWUPVSA-N 2 2 347.553 4.362 20 0 EIADLP CCc1nc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC001190520719 1051202528 /nfs/dbraw/zinc/20/25/28/1051202528.db2.gz VZNVICDPZNPUPW-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP CCc1nc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC001190520719 1051202537 /nfs/dbraw/zinc/20/25/37/1051202537.db2.gz VZNVICDPZNPUPW-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP CO[C@@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001181534594 1051248849 /nfs/dbraw/zinc/24/88/49/1051248849.db2.gz NHUXAKANGOCYSM-QFIPXVFZSA-N 2 2 344.543 4.178 20 0 EIADLP CO[C@@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001181534594 1051248860 /nfs/dbraw/zinc/24/88/60/1051248860.db2.gz NHUXAKANGOCYSM-QFIPXVFZSA-N 2 2 344.543 4.178 20 0 EIADLP C[C@H](C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000620757762 1051275989 /nfs/dbraw/zinc/27/59/89/1051275989.db2.gz CAQXBUQSAGVEDR-SNVBAGLBSA-N 2 2 332.662 4.269 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000620878968 1051414847 /nfs/dbraw/zinc/41/48/47/1051414847.db2.gz WXTTYWSNYQGBAQ-IBGZPJMESA-N 2 2 332.488 4.441 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272358636 1051568846 /nfs/dbraw/zinc/56/88/46/1051568846.db2.gz RUECWBYGTPSZIQ-RLFYNMQTSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272358636 1051568860 /nfs/dbraw/zinc/56/88/60/1051568860.db2.gz RUECWBYGTPSZIQ-RLFYNMQTSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2F)[nH+]1 ZINC001192041521 1051620108 /nfs/dbraw/zinc/62/01/08/1051620108.db2.gz GPXYKQCPWIBYKJ-INIZCTEOSA-N 2 2 333.838 4.259 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2F)[nH+]1 ZINC001192041521 1051620119 /nfs/dbraw/zinc/62/01/19/1051620119.db2.gz GPXYKQCPWIBYKJ-INIZCTEOSA-N 2 2 333.838 4.259 20 0 EIADLP c1cn(C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001175670092 1051723623 /nfs/dbraw/zinc/72/36/23/1051723623.db2.gz XQGAHMKYRTUXOY-KNQAVFIVSA-N 2 2 331.463 4.334 20 0 EIADLP CC1(C)[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC001182960838 1051750277 /nfs/dbraw/zinc/75/02/77/1051750277.db2.gz VNEMUDIHKUYIPP-WMQCIHAUSA-N 2 2 342.527 4.229 20 0 EIADLP CC1(C)[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC001182960838 1051750288 /nfs/dbraw/zinc/75/02/88/1051750288.db2.gz VNEMUDIHKUYIPP-WMQCIHAUSA-N 2 2 342.527 4.229 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000159017942 1051803985 /nfs/dbraw/zinc/80/39/85/1051803985.db2.gz UJOOZQSIOROYFU-QGZVFWFLSA-N 2 2 347.547 4.449 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000159017942 1051803990 /nfs/dbraw/zinc/80/39/90/1051803990.db2.gz UJOOZQSIOROYFU-QGZVFWFLSA-N 2 2 347.547 4.449 20 0 EIADLP c1ccc(-c2cc(Nc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]2)cc1 ZINC001175856735 1051822405 /nfs/dbraw/zinc/82/24/05/1051822405.db2.gz MVKJILLNWLZNQA-UHFFFAOYSA-N 2 2 345.446 4.324 20 0 EIADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C(C)(C)C ZINC001183497739 1051855603 /nfs/dbraw/zinc/85/56/03/1051855603.db2.gz AMTJWUFDJJXTJT-UHFFFAOYSA-N 2 2 330.516 4.053 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000079000555 1051936054 /nfs/dbraw/zinc/93/60/54/1051936054.db2.gz ZHHJRXDDZPXGDY-OAHLLOKOSA-N 2 2 325.378 4.106 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccn1)CC(C)C ZINC001176344191 1051999311 /nfs/dbraw/zinc/99/93/11/1051999311.db2.gz BNNOCODMHFACRY-UHFFFAOYSA-N 2 2 334.467 4.234 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccn1)CC(C)C ZINC001176344191 1051999328 /nfs/dbraw/zinc/99/93/28/1051999328.db2.gz BNNOCODMHFACRY-UHFFFAOYSA-N 2 2 334.467 4.234 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)s1 ZINC000163800038 1052006422 /nfs/dbraw/zinc/00/64/22/1052006422.db2.gz VEOVWJRMFKUTDL-LLVKDONJSA-N 2 2 340.290 4.058 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163827427 1052008228 /nfs/dbraw/zinc/00/82/28/1052008228.db2.gz QWVLBLFGZIMZMA-CABCVRRESA-N 2 2 340.496 4.275 20 0 EIADLP CCOC[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165574576 1052072027 /nfs/dbraw/zinc/07/20/27/1052072027.db2.gz GXJICWUPIKYEGA-SFHVURJKSA-N 2 2 349.478 4.113 20 0 EIADLP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000166474387 1052096290 /nfs/dbraw/zinc/09/62/90/1052096290.db2.gz JCFRSKHGPRFFEJ-UYAOXDASSA-N 2 2 339.483 4.031 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001204175043 1052170236 /nfs/dbraw/zinc/17/02/36/1052170236.db2.gz LUVZUGQELQLZOY-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001204175043 1052170244 /nfs/dbraw/zinc/17/02/44/1052170244.db2.gz LUVZUGQELQLZOY-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP CCC[N@H+](CCc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176897311 1052208005 /nfs/dbraw/zinc/20/80/05/1052208005.db2.gz MAHFBGSOPZBWQX-UHFFFAOYSA-N 2 2 343.540 4.062 20 0 EIADLP CCC[N@@H+](CCc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176897311 1052208012 /nfs/dbraw/zinc/20/80/12/1052208012.db2.gz MAHFBGSOPZBWQX-UHFFFAOYSA-N 2 2 343.540 4.062 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC001176976696 1052214386 /nfs/dbraw/zinc/21/43/86/1052214386.db2.gz FNWQMBPQEKNXBM-UHFFFAOYSA-N 2 2 349.931 4.435 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000177934899 1052694728 /nfs/dbraw/zinc/69/47/28/1052694728.db2.gz VPRLQSVOZQETBP-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000180406414 1052798655 /nfs/dbraw/zinc/79/86/55/1052798655.db2.gz QVSMVYMMLFLVHC-GFCCVEGCSA-N 2 2 346.849 4.465 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000623849463 1052822230 /nfs/dbraw/zinc/82/22/30/1052822230.db2.gz GHMXYNBGKUDTRZ-KRWDZBQOSA-N 2 2 328.847 4.075 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000623870316 1052830824 /nfs/dbraw/zinc/83/08/24/1052830824.db2.gz WFGZPUWUYFYCJV-RTBURBONSA-N 2 2 347.503 4.496 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000623898805 1052831551 /nfs/dbraw/zinc/83/15/51/1052831551.db2.gz RKQNOGNWMVQUOP-DZKIICNBSA-N 2 2 335.542 4.247 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000623898805 1052831555 /nfs/dbraw/zinc/83/15/55/1052831555.db2.gz RKQNOGNWMVQUOP-DZKIICNBSA-N 2 2 335.542 4.247 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000623964715 1052843369 /nfs/dbraw/zinc/84/33/69/1052843369.db2.gz ORHSVMPXSMRTDV-BPQIPLTHSA-N 2 2 345.487 4.030 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000623985991 1052844456 /nfs/dbraw/zinc/84/44/56/1052844456.db2.gz IFNFDZVLIMEYDW-PXAZEXFGSA-N 2 2 340.858 4.069 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068444 1052861155 /nfs/dbraw/zinc/86/11/55/1052861155.db2.gz WHNZLLUVGVNTAY-BRKWEVRTSA-N 2 2 349.522 4.074 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068444 1052861159 /nfs/dbraw/zinc/86/11/59/1052861159.db2.gz WHNZLLUVGVNTAY-BRKWEVRTSA-N 2 2 349.522 4.074 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000624188916 1052886824 /nfs/dbraw/zinc/88/68/24/1052886824.db2.gz LWYIQNAUKCXNPT-WMLDXEAASA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000624188916 1052886827 /nfs/dbraw/zinc/88/68/27/1052886827.db2.gz LWYIQNAUKCXNPT-WMLDXEAASA-N 2 2 334.529 4.085 20 0 EIADLP COc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)[C@H](c1ccccc1)C2 ZINC000182854349 1052952872 /nfs/dbraw/zinc/95/28/72/1052952872.db2.gz NTLJXLWIQAJZNG-QFIPXVFZSA-N 2 2 347.462 4.081 20 0 EIADLP COc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)[C@H](c1ccccc1)C2 ZINC000182854349 1052952877 /nfs/dbraw/zinc/95/28/77/1052952877.db2.gz NTLJXLWIQAJZNG-QFIPXVFZSA-N 2 2 347.462 4.081 20 0 EIADLP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000764570014 1053194966 /nfs/dbraw/zinc/19/49/66/1053194966.db2.gz AUWOKBYWSJGUGF-CXAGYDPISA-N 2 2 338.480 4.365 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc2ccccc2[nH]1 ZINC000775627566 1053228571 /nfs/dbraw/zinc/22/85/71/1053228571.db2.gz JVFVSWOALZZSCP-SJORKVTESA-N 2 2 348.494 4.439 20 0 EIADLP C[C@H]([NH2+]CCSCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764614360 1053235374 /nfs/dbraw/zinc/23/53/74/1053235374.db2.gz BCVVAMGBPLQIRT-KRWDZBQOSA-N 2 2 337.492 4.456 20 0 EIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000765250388 1053476418 /nfs/dbraw/zinc/47/64/18/1053476418.db2.gz LTBXLBATFGCMEN-NHYWBVRUSA-N 2 2 325.378 4.066 20 0 EIADLP COc1ccc2c(NCc3cc[nH+]c(N4CCCCC4)c3)cc[nH+]c2c1 ZINC000765467048 1053560692 /nfs/dbraw/zinc/56/06/92/1053560692.db2.gz CJGMABDWOVSOOL-UHFFFAOYSA-N 2 2 348.450 4.241 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866362058 1053703361 /nfs/dbraw/zinc/70/33/61/1053703361.db2.gz YPBJQLOGHVFKCE-ZYHUDNBSSA-N 2 2 341.402 4.230 20 0 EIADLP CCC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccnc1 ZINC000542663492 1053858423 /nfs/dbraw/zinc/85/84/23/1053858423.db2.gz VSGLXHPKVITDEW-IBGZPJMESA-N 2 2 347.572 4.264 20 0 EIADLP Cc1ccc2ncc(C[NH+]3CCC(C)([NH+]4CCCCC4)CC3)cc2c1 ZINC001197582415 1053948847 /nfs/dbraw/zinc/94/88/47/1053948847.db2.gz QENZJSYUDAFQQO-UHFFFAOYSA-N 2 2 337.511 4.384 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3ccccc3c2)c[nH+]1 ZINC000030651845 1054043943 /nfs/dbraw/zinc/04/39/43/1054043943.db2.gz OQZICTSKCOYLHM-UHFFFAOYSA-N 2 2 327.431 4.374 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429535804 1054093369 /nfs/dbraw/zinc/09/33/69/1054093369.db2.gz MOQWRTHJYQNFFG-IRXDYDNUSA-N 2 2 339.321 4.316 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429535804 1054093378 /nfs/dbraw/zinc/09/33/78/1054093378.db2.gz MOQWRTHJYQNFFG-IRXDYDNUSA-N 2 2 339.321 4.316 20 0 EIADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000542671508 1054185319 /nfs/dbraw/zinc/18/53/19/1054185319.db2.gz TVPFXYMPASGBNL-SFHVURJKSA-N 2 2 329.875 4.083 20 0 EIADLP CCC[N@H+](C[C@H]1CCO[C@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633014 1054212976 /nfs/dbraw/zinc/21/29/76/1054212976.db2.gz PEPQOGWTQKJPOK-CTNGQTDRSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633014 1054212987 /nfs/dbraw/zinc/21/29/87/1054212987.db2.gz PEPQOGWTQKJPOK-CTNGQTDRSA-N 2 2 344.543 4.178 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC001198769577 1054262009 /nfs/dbraw/zinc/26/20/09/1054262009.db2.gz LPAZBTJISHICRQ-UHFFFAOYSA-N 2 2 340.858 4.001 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001198791744 1054266796 /nfs/dbraw/zinc/26/67/96/1054266796.db2.gz YKQOSAKAWLVCQL-AWEZNQCLSA-N 2 2 333.426 4.296 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001198791744 1054266813 /nfs/dbraw/zinc/26/68/13/1054266813.db2.gz YKQOSAKAWLVCQL-AWEZNQCLSA-N 2 2 333.426 4.296 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001198791752 1054269150 /nfs/dbraw/zinc/26/91/50/1054269150.db2.gz YKQOSAKAWLVCQL-CQSZACIVSA-N 2 2 333.426 4.296 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001198791752 1054269168 /nfs/dbraw/zinc/26/91/68/1054269168.db2.gz YKQOSAKAWLVCQL-CQSZACIVSA-N 2 2 333.426 4.296 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(OC(F)F)cc1 ZINC001199110168 1054349590 /nfs/dbraw/zinc/34/95/90/1054349590.db2.gz KSEDKRPPBHEXDJ-LBPRGKRZSA-N 2 2 349.406 4.386 20 0 EIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872072832 1054378962 /nfs/dbraw/zinc/37/89/62/1054378962.db2.gz KOKKZSVLSHBPDS-HNNXBMFYSA-N 2 2 345.874 4.107 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160433 1054427436 /nfs/dbraw/zinc/42/74/36/1054427436.db2.gz IWRPSKJEVPCXNL-RISCZKNCSA-N 2 2 343.298 4.279 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160433 1054427440 /nfs/dbraw/zinc/42/74/40/1054427440.db2.gz IWRPSKJEVPCXNL-RISCZKNCSA-N 2 2 343.298 4.279 20 0 EIADLP C[C@]1(C[NH2+][C@@H]2CCCc3scnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000858414667 1054485059 /nfs/dbraw/zinc/48/50/59/1054485059.db2.gz FWWSCRMYXDMFKV-YLJYHZDGSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@]1(C[NH2+][C@@H]2CCCc3scnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000858414667 1054485065 /nfs/dbraw/zinc/48/50/65/1054485065.db2.gz FWWSCRMYXDMFKV-YLJYHZDGSA-N 2 2 341.524 4.022 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001200923884 1054577733 /nfs/dbraw/zinc/57/77/33/1054577733.db2.gz UXPSBSSCZDAQTB-UHFFFAOYSA-N 2 2 327.299 4.490 20 0 EIADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904880 1054614123 /nfs/dbraw/zinc/61/41/23/1054614123.db2.gz XSZWBPOTUIXFDD-MNOVXSKESA-N 2 2 344.596 4.445 20 0 EIADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904880 1054614134 /nfs/dbraw/zinc/61/41/34/1054614134.db2.gz XSZWBPOTUIXFDD-MNOVXSKESA-N 2 2 344.596 4.445 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000859214482 1054644071 /nfs/dbraw/zinc/64/40/71/1054644071.db2.gz IZNFHMBVAIKTCB-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(-c3cccs3)o2)cc1 ZINC000859214482 1054644082 /nfs/dbraw/zinc/64/40/82/1054644082.db2.gz IZNFHMBVAIKTCB-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP CC(C)Nc1ccc([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1 ZINC001201492285 1054818535 /nfs/dbraw/zinc/81/85/35/1054818535.db2.gz ZHBILGKIQZGJJY-UHFFFAOYSA-N 2 2 336.414 4.165 20 0 EIADLP CC(C)Nc1ccc([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1 ZINC001201492285 1054818540 /nfs/dbraw/zinc/81/85/40/1054818540.db2.gz ZHBILGKIQZGJJY-UHFFFAOYSA-N 2 2 336.414 4.165 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566369 1054849906 /nfs/dbraw/zinc/84/99/06/1054849906.db2.gz SPGPANVGVLYGMR-KSZLIROESA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566369 1054849910 /nfs/dbraw/zinc/84/99/10/1054849910.db2.gz SPGPANVGVLYGMR-KSZLIROESA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201566369 1054849918 /nfs/dbraw/zinc/84/99/18/1054849918.db2.gz SPGPANVGVLYGMR-KSZLIROESA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201566369 1054849923 /nfs/dbraw/zinc/84/99/23/1054849923.db2.gz SPGPANVGVLYGMR-KSZLIROESA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566365 1054850681 /nfs/dbraw/zinc/85/06/81/1054850681.db2.gz SPGPANVGVLYGMR-BZSNNMDCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566365 1054850685 /nfs/dbraw/zinc/85/06/85/1054850685.db2.gz SPGPANVGVLYGMR-BZSNNMDCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201566365 1054850688 /nfs/dbraw/zinc/85/06/88/1054850688.db2.gz SPGPANVGVLYGMR-BZSNNMDCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201566365 1054850695 /nfs/dbraw/zinc/85/06/95/1054850695.db2.gz SPGPANVGVLYGMR-BZSNNMDCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566372 1054850952 /nfs/dbraw/zinc/85/09/52/1054850952.db2.gz SPGPANVGVLYGMR-RCCFBDPRSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566372 1054850955 /nfs/dbraw/zinc/85/09/55/1054850955.db2.gz SPGPANVGVLYGMR-RCCFBDPRSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201566372 1054850958 /nfs/dbraw/zinc/85/09/58/1054850958.db2.gz SPGPANVGVLYGMR-RCCFBDPRSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201566372 1054850963 /nfs/dbraw/zinc/85/09/63/1054850963.db2.gz SPGPANVGVLYGMR-RCCFBDPRSA-N 2 2 335.561 4.256 20 0 EIADLP COc1ccc(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001201600808 1054862415 /nfs/dbraw/zinc/86/24/15/1054862415.db2.gz ODLITZXYILMBHY-OAQYLSRUSA-N 2 2 349.478 4.348 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739230 1054874455 /nfs/dbraw/zinc/87/44/55/1054874455.db2.gz SBEXWEMCTUGGEP-UONOGXRCSA-N 2 2 348.406 4.131 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977587 1054952207 /nfs/dbraw/zinc/95/22/07/1054952207.db2.gz TYQDIOUDRJAVLO-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977587 1054952217 /nfs/dbraw/zinc/95/22/17/1054952217.db2.gz TYQDIOUDRJAVLO-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977587 1054952228 /nfs/dbraw/zinc/95/22/28/1054952228.db2.gz TYQDIOUDRJAVLO-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977587 1054952238 /nfs/dbraw/zinc/95/22/38/1054952238.db2.gz TYQDIOUDRJAVLO-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1C(F)(F)F ZINC000862272834 1055041371 /nfs/dbraw/zinc/04/13/71/1055041371.db2.gz QOBCITVXAKUBQA-LBPRGKRZSA-N 2 2 331.407 4.168 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380310 1055059134 /nfs/dbraw/zinc/05/91/34/1055059134.db2.gz TYBRTSBXJUNWNY-SDDRHHMPSA-N 2 2 347.812 4.031 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380310 1055059152 /nfs/dbraw/zinc/05/91/52/1055059152.db2.gz TYBRTSBXJUNWNY-SDDRHHMPSA-N 2 2 347.812 4.031 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000877628607 1055095704 /nfs/dbraw/zinc/09/57/04/1055095704.db2.gz IPGJYTPMMVCELM-AIZKBTNYSA-N 2 2 348.490 4.123 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000877628607 1055095718 /nfs/dbraw/zinc/09/57/18/1055095718.db2.gz IPGJYTPMMVCELM-AIZKBTNYSA-N 2 2 348.490 4.123 20 0 EIADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072756431 1055147857 /nfs/dbraw/zinc/14/78/57/1055147857.db2.gz ABKZLIYEFFSIPE-VXKWHMMOSA-N 2 2 347.462 4.191 20 0 EIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001202417382 1055164284 /nfs/dbraw/zinc/16/42/84/1055164284.db2.gz KRGPKGSKQZSEEL-MRXNPFEDSA-N 2 2 343.352 4.067 20 0 EIADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3noc4ccccc34)CC23CC3)cc1 ZINC000655855473 1055764969 /nfs/dbraw/zinc/76/49/69/1055764969.db2.gz FBZWYNOZFJVGAD-GOSISDBHSA-N 2 2 347.462 4.115 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3noc4ccccc34)CC23CC3)cc1 ZINC000655855473 1055764992 /nfs/dbraw/zinc/76/49/92/1055764992.db2.gz FBZWYNOZFJVGAD-GOSISDBHSA-N 2 2 347.462 4.115 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194984 1056239701 /nfs/dbraw/zinc/23/97/01/1056239701.db2.gz MFARGNZYEVXCSU-VXTDNTOSSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194984 1056239729 /nfs/dbraw/zinc/23/97/29/1056239729.db2.gz MFARGNZYEVXCSU-VXTDNTOSSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921799000 1056582102 /nfs/dbraw/zinc/58/21/02/1056582102.db2.gz LCAMTELGCSECEP-HZPDHXFCSA-N 2 2 333.435 4.047 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1C ZINC000656252448 1056750849 /nfs/dbraw/zinc/75/08/49/1056750849.db2.gz AJVVDZHKSUCRAQ-FUHWJXTLSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1C ZINC000656252448 1056750859 /nfs/dbraw/zinc/75/08/59/1056750859.db2.gz AJVVDZHKSUCRAQ-FUHWJXTLSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1C ZINC000656252448 1056750870 /nfs/dbraw/zinc/75/08/70/1056750870.db2.gz AJVVDZHKSUCRAQ-FUHWJXTLSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1C ZINC000656252448 1056750880 /nfs/dbraw/zinc/75/08/80/1056750880.db2.gz AJVVDZHKSUCRAQ-FUHWJXTLSA-N 2 2 343.540 4.341 20 0 EIADLP C[C@H](C1CC1)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347672370 1056803385 /nfs/dbraw/zinc/80/33/85/1056803385.db2.gz JAKMINHHNJROSO-OAHLLOKOSA-N 2 2 329.513 4.005 20 0 EIADLP C[C@H](C1CC1)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347672370 1056803388 /nfs/dbraw/zinc/80/33/88/1056803388.db2.gz JAKMINHHNJROSO-OAHLLOKOSA-N 2 2 329.513 4.005 20 0 EIADLP C[C@H]1CCC[N@@H+]1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000742387318 1058588641 /nfs/dbraw/zinc/58/86/41/1058588641.db2.gz RGCOBCXXCCRILQ-IBGZPJMESA-N 2 2 347.506 4.264 20 0 EIADLP C[C@H]1CCC[N@H+]1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000742387318 1058588655 /nfs/dbraw/zinc/58/86/55/1058588655.db2.gz RGCOBCXXCCRILQ-IBGZPJMESA-N 2 2 347.506 4.264 20 0 EIADLP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168969979 1060563442 /nfs/dbraw/zinc/56/34/42/1060563442.db2.gz ZFFXYVVYCFGUSU-QFIPXVFZSA-N 2 2 331.463 4.470 20 0 EIADLP C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168969979 1060563461 /nfs/dbraw/zinc/56/34/61/1060563461.db2.gz ZFFXYVVYCFGUSU-QFIPXVFZSA-N 2 2 331.463 4.470 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(SCC(F)F)cc1 ZINC000532195021 1032080059 /nfs/dbraw/zinc/08/00/59/1032080059.db2.gz IOPLLDCTBXEOJG-CQSZACIVSA-N 2 2 339.455 4.371 20 0 EIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532270412 1032129136 /nfs/dbraw/zinc/12/91/36/1032129136.db2.gz FBMYGUMEGYCNLU-LJQANCHMSA-N 2 2 327.472 4.290 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000508621074 1032239115 /nfs/dbraw/zinc/23/91/15/1032239115.db2.gz KWPPXLXQZIZSFX-OAHLLOKOSA-N 2 2 331.529 4.234 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000508621074 1032239130 /nfs/dbraw/zinc/23/91/30/1032239130.db2.gz KWPPXLXQZIZSFX-OAHLLOKOSA-N 2 2 331.529 4.234 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000360079647 1032240194 /nfs/dbraw/zinc/24/01/94/1032240194.db2.gz PFHGFWACEFHVPI-ZIAGYGMSSA-N 2 2 333.863 4.082 20 0 EIADLP CC[N@H+](C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@H]1C=CCCC1 ZINC000532734533 1032272494 /nfs/dbraw/zinc/27/24/94/1032272494.db2.gz LOYUILTYVDQOFO-SFHVURJKSA-N 2 2 342.531 4.308 20 0 EIADLP CC[N@@H+](C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@H]1C=CCCC1 ZINC000532734533 1032272506 /nfs/dbraw/zinc/27/25/06/1032272506.db2.gz LOYUILTYVDQOFO-SFHVURJKSA-N 2 2 342.531 4.308 20 0 EIADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760607 1032301108 /nfs/dbraw/zinc/30/11/08/1032301108.db2.gz QRVWJJMUMKRDAH-DOTOQJQBSA-N 2 2 329.513 4.308 20 0 EIADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760607 1032301119 /nfs/dbraw/zinc/30/11/19/1032301119.db2.gz QRVWJJMUMKRDAH-DOTOQJQBSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760607 1032301123 /nfs/dbraw/zinc/30/11/23/1032301123.db2.gz QRVWJJMUMKRDAH-DOTOQJQBSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760607 1032301125 /nfs/dbraw/zinc/30/11/25/1032301125.db2.gz QRVWJJMUMKRDAH-DOTOQJQBSA-N 2 2 329.513 4.308 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000245585928 1032328345 /nfs/dbraw/zinc/32/83/45/1032328345.db2.gz MDTWJQSTAKJQGG-MPGHIAIKSA-N 2 2 329.513 4.155 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000245585928 1032328356 /nfs/dbraw/zinc/32/83/56/1032328356.db2.gz MDTWJQSTAKJQGG-MPGHIAIKSA-N 2 2 329.513 4.155 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000245705541 1032401666 /nfs/dbraw/zinc/40/16/66/1032401666.db2.gz RXBVXYNUMHVMDJ-DNVCBOLYSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000245705541 1032401671 /nfs/dbraw/zinc/40/16/71/1032401671.db2.gz RXBVXYNUMHVMDJ-DNVCBOLYSA-N 2 2 347.890 4.087 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000389899378 1032427334 /nfs/dbraw/zinc/42/73/34/1032427334.db2.gz ARXSPZCSYSOHDD-RBUKOAKNSA-N 2 2 349.478 4.376 20 0 EIADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450363665 1032446065 /nfs/dbraw/zinc/44/60/65/1032446065.db2.gz VVCWVIMBGLGNOV-ZDUSSCGKSA-N 2 2 337.389 4.032 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450363665 1032446067 /nfs/dbraw/zinc/44/60/67/1032446067.db2.gz VVCWVIMBGLGNOV-ZDUSSCGKSA-N 2 2 337.389 4.032 20 0 EIADLP FC(F)SCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176992680 1032487509 /nfs/dbraw/zinc/48/75/09/1032487509.db2.gz XBWATFXNCZCUAC-UHFFFAOYSA-N 2 2 344.471 4.232 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000177935029 1032513040 /nfs/dbraw/zinc/51/30/40/1032513040.db2.gz JRIIEUWZADYQAI-HXUWFJFHSA-N 2 2 341.405 4.451 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)ccc1F ZINC000177933145 1032513887 /nfs/dbraw/zinc/51/38/87/1032513887.db2.gz UUCGCAHZBCSTRG-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000177934370 1032513923 /nfs/dbraw/zinc/51/39/23/1032513923.db2.gz JXYGDWHUCQCSBD-OAQYLSRUSA-N 2 2 335.451 4.181 20 0 EIADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000533200729 1032537408 /nfs/dbraw/zinc/53/74/08/1032537408.db2.gz GICIKWHGDZOKKV-IBGZPJMESA-N 2 2 327.472 4.290 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000178588175 1032540374 /nfs/dbraw/zinc/54/03/74/1032540374.db2.gz LWVKZLQVPPUPOH-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430144003 1018840818 /nfs/dbraw/zinc/84/08/18/1018840818.db2.gz CYMFQCGWOCBCRK-GOSISDBHSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430144003 1018840822 /nfs/dbraw/zinc/84/08/22/1018840822.db2.gz CYMFQCGWOCBCRK-GOSISDBHSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430144003 1018840824 /nfs/dbraw/zinc/84/08/24/1018840824.db2.gz CYMFQCGWOCBCRK-GOSISDBHSA-N 2 2 338.948 4.368 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430144003 1018840825 /nfs/dbraw/zinc/84/08/25/1018840825.db2.gz CYMFQCGWOCBCRK-GOSISDBHSA-N 2 2 338.948 4.368 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000375591751 1019285969 /nfs/dbraw/zinc/28/59/69/1019285969.db2.gz OQZIRQTZSCWVJA-AVRDEDQJSA-N 2 2 346.478 4.142 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)co2)cc1 ZINC000579822390 1019382095 /nfs/dbraw/zinc/38/20/95/1019382095.db2.gz GUJPSQLAABAPGG-XUVXKRRUSA-N 2 2 339.483 4.050 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCOCC1 ZINC000537948646 1019877330 /nfs/dbraw/zinc/87/73/30/1019877330.db2.gz WBKLRMYTJRVXSD-RTWAWAEBSA-N 2 2 341.499 4.036 20 0 EIADLP c1ccc([C@@H](CC2CCCC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655736331 1020927397 /nfs/dbraw/zinc/92/73/97/1020927397.db2.gz DIVKSNXOSCKKPC-FGZHOGPDSA-N 2 2 342.527 4.151 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000340469735 1021075760 /nfs/dbraw/zinc/07/57/60/1021075760.db2.gz KUUGVSOTNDOMBY-NVXWUHKLSA-N 2 2 327.472 4.066 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000340469735 1021075769 /nfs/dbraw/zinc/07/57/69/1021075769.db2.gz KUUGVSOTNDOMBY-NVXWUHKLSA-N 2 2 327.472 4.066 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706229 1021126464 /nfs/dbraw/zinc/12/64/64/1021126464.db2.gz FGURASSHTPKFGR-RXVVDRJESA-N 2 2 333.479 4.487 20 0 EIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608742 1021178827 /nfs/dbraw/zinc/17/88/27/1021178827.db2.gz UOLRNOHJTQWVRS-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608742 1021178845 /nfs/dbraw/zinc/17/88/45/1021178845.db2.gz UOLRNOHJTQWVRS-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608740 1021179142 /nfs/dbraw/zinc/17/91/42/1021179142.db2.gz UOLRNOHJTQWVRS-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608740 1021179149 /nfs/dbraw/zinc/17/91/49/1021179149.db2.gz UOLRNOHJTQWVRS-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924561873 1021564626 /nfs/dbraw/zinc/56/46/26/1021564626.db2.gz YHFOLWIKRNNGRN-LBPRGKRZSA-N 2 2 334.348 4.114 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924561873 1021564645 /nfs/dbraw/zinc/56/46/45/1021564645.db2.gz YHFOLWIKRNNGRN-LBPRGKRZSA-N 2 2 334.348 4.114 20 0 EIADLP CC1=C[C@H](C)C[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835057 1021658974 /nfs/dbraw/zinc/65/89/74/1021658974.db2.gz ZSGUTMXHQPRRCU-AZUAARDMSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835057 1021658982 /nfs/dbraw/zinc/65/89/82/1021658982.db2.gz ZSGUTMXHQPRRCU-AZUAARDMSA-N 2 2 341.543 4.013 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC000177807305 1021705889 /nfs/dbraw/zinc/70/58/89/1021705889.db2.gz ROYGMHIGIOUULZ-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)c1 ZINC000414058084 1021754890 /nfs/dbraw/zinc/75/48/90/1021754890.db2.gz GUTMBXNGAJQVOH-AEFFLSMTSA-N 2 2 343.902 4.341 20 0 EIADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000414073538 1021806992 /nfs/dbraw/zinc/80/69/92/1021806992.db2.gz VZBZUNLGTVXPMS-MOPGFXCFSA-N 2 2 341.499 4.003 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000414160982 1021998801 /nfs/dbraw/zinc/99/88/01/1021998801.db2.gz JSZNFLNWVLVQPR-OIISXLGYSA-N 2 2 329.875 4.236 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000174513109 1022094787 /nfs/dbraw/zinc/09/47/87/1022094787.db2.gz IWOADXZDAYRVHA-KGLIPLIRSA-N 2 2 341.480 4.129 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000174513109 1022094807 /nfs/dbraw/zinc/09/48/07/1022094807.db2.gz IWOADXZDAYRVHA-KGLIPLIRSA-N 2 2 341.480 4.129 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)CCC2 ZINC000377943116 1022129901 /nfs/dbraw/zinc/12/99/01/1022129901.db2.gz CFIUHPXBBSVJMG-DZGCQCFKSA-N 2 2 348.288 4.182 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1Br ZINC000125888595 1022198489 /nfs/dbraw/zinc/19/84/89/1022198489.db2.gz WOEYHGICRDZGTI-KRWDZBQOSA-N 2 2 339.321 4.363 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)s2)cc1C ZINC000656261967 1022308591 /nfs/dbraw/zinc/30/85/91/1022308591.db2.gz OEBNCODHTKBYNR-VQIMIIECSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)s2)cc1C ZINC000656261967 1022308600 /nfs/dbraw/zinc/30/86/00/1022308600.db2.gz OEBNCODHTKBYNR-VQIMIIECSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)s2)cc1C ZINC000656261967 1022308608 /nfs/dbraw/zinc/30/86/08/1022308608.db2.gz OEBNCODHTKBYNR-VQIMIIECSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)s2)cc1C ZINC000656261967 1022308619 /nfs/dbraw/zinc/30/86/19/1022308619.db2.gz OEBNCODHTKBYNR-VQIMIIECSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)s2)cc1C ZINC000656261966 1022309716 /nfs/dbraw/zinc/30/97/16/1022309716.db2.gz OEBNCODHTKBYNR-QFBILLFUSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)s2)cc1C ZINC000656261966 1022309730 /nfs/dbraw/zinc/30/97/30/1022309730.db2.gz OEBNCODHTKBYNR-QFBILLFUSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)s2)cc1C ZINC000656261966 1022309741 /nfs/dbraw/zinc/30/97/41/1022309741.db2.gz OEBNCODHTKBYNR-QFBILLFUSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)s2)cc1C ZINC000656261966 1022309754 /nfs/dbraw/zinc/30/97/54/1022309754.db2.gz OEBNCODHTKBYNR-QFBILLFUSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)s2)cc1C ZINC000656261965 1022310468 /nfs/dbraw/zinc/31/04/68/1022310468.db2.gz OEBNCODHTKBYNR-LPHOPBHVSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)s2)cc1C ZINC000656261965 1022310481 /nfs/dbraw/zinc/31/04/81/1022310481.db2.gz OEBNCODHTKBYNR-LPHOPBHVSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)s2)cc1C ZINC000656261965 1022310499 /nfs/dbraw/zinc/31/04/99/1022310499.db2.gz OEBNCODHTKBYNR-LPHOPBHVSA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)s2)cc1C ZINC000656261965 1022310520 /nfs/dbraw/zinc/31/05/20/1022310520.db2.gz OEBNCODHTKBYNR-LPHOPBHVSA-N 2 2 343.540 4.199 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021224 1022361417 /nfs/dbraw/zinc/36/14/17/1022361417.db2.gz SRGZDTNRDXDHTN-MSOLQXFVSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021224 1022361435 /nfs/dbraw/zinc/36/14/35/1022361435.db2.gz SRGZDTNRDXDHTN-MSOLQXFVSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021224 1022361447 /nfs/dbraw/zinc/36/14/47/1022361447.db2.gz SRGZDTNRDXDHTN-MSOLQXFVSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021224 1022361454 /nfs/dbraw/zinc/36/14/54/1022361454.db2.gz SRGZDTNRDXDHTN-MSOLQXFVSA-N 2 2 325.500 4.254 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000430565678 1023052631 /nfs/dbraw/zinc/05/26/31/1023052631.db2.gz QKHKWVNVKXGAID-CRAIPNDOSA-N 2 2 343.540 4.493 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000430565678 1023052642 /nfs/dbraw/zinc/05/26/42/1023052642.db2.gz QKHKWVNVKXGAID-CRAIPNDOSA-N 2 2 343.540 4.493 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000236606159 1023124573 /nfs/dbraw/zinc/12/45/73/1023124573.db2.gz NDPMAWMOHFYPJV-OAQYLSRUSA-N 2 2 326.459 4.378 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000417307131 1023255642 /nfs/dbraw/zinc/25/56/42/1023255642.db2.gz FFOYKMNVHYYCRJ-UXPWSPDFSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000341210763 1023377225 /nfs/dbraw/zinc/37/72/25/1023377225.db2.gz NVHWICZUGYPZKQ-HNNXBMFYSA-N 2 2 329.513 4.288 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000468557394 1023385205 /nfs/dbraw/zinc/38/52/05/1023385205.db2.gz WOVWSZFLKCRRTB-SFTDATJTSA-N 2 2 344.543 4.110 20 0 EIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660258046 1023394852 /nfs/dbraw/zinc/39/48/52/1023394852.db2.gz YVVYQIVNLLVQSE-CABCVRRESA-N 2 2 329.513 4.039 20 0 EIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660258046 1023394861 /nfs/dbraw/zinc/39/48/61/1023394861.db2.gz YVVYQIVNLLVQSE-CABCVRRESA-N 2 2 329.513 4.039 20 0 EIADLP C[N@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CC(C)(C)[NH3+] ZINC000656786315 1023528089 /nfs/dbraw/zinc/52/80/89/1023528089.db2.gz WIKHCEQDZWUDIF-UHFFFAOYSA-N 2 2 348.922 4.128 20 0 EIADLP C[N@@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CC(C)(C)[NH3+] ZINC000656786315 1023528109 /nfs/dbraw/zinc/52/81/09/1023528109.db2.gz WIKHCEQDZWUDIF-UHFFFAOYSA-N 2 2 348.922 4.128 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(Cl)oc3ccccc31)CCC2 ZINC000341485662 1023808717 /nfs/dbraw/zinc/80/87/17/1023808717.db2.gz UNCRKVZRSQZREL-ZDUSSCGKSA-N 2 2 329.831 4.258 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000581934595 1023905110 /nfs/dbraw/zinc/90/51/10/1023905110.db2.gz ZFOVXGOVFPKUFJ-DENIHFKCSA-N 2 2 331.463 4.160 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000581934595 1023905114 /nfs/dbraw/zinc/90/51/14/1023905114.db2.gz ZFOVXGOVFPKUFJ-DENIHFKCSA-N 2 2 331.463 4.160 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCOCC1)c1ccccc1 ZINC000510648111 1024169003 /nfs/dbraw/zinc/16/90/03/1024169003.db2.gz DSYKEQNECDPKTR-IOMROCGXSA-N 2 2 342.527 4.055 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935677 1024313528 /nfs/dbraw/zinc/31/35/28/1024313528.db2.gz KFDFTXITQKCDBJ-RDJZCZTQSA-N 2 2 343.902 4.161 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935677 1024313542 /nfs/dbraw/zinc/31/35/42/1024313542.db2.gz KFDFTXITQKCDBJ-RDJZCZTQSA-N 2 2 343.902 4.161 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000473134155 1024355914 /nfs/dbraw/zinc/35/59/14/1024355914.db2.gz WDFJPARVODHNHU-JXFKEZNVSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000473134155 1024355934 /nfs/dbraw/zinc/35/59/34/1024355934.db2.gz WDFJPARVODHNHU-JXFKEZNVSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134155 1024355952 /nfs/dbraw/zinc/35/59/52/1024355952.db2.gz WDFJPARVODHNHU-JXFKEZNVSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134155 1024355972 /nfs/dbraw/zinc/35/59/72/1024355972.db2.gz WDFJPARVODHNHU-JXFKEZNVSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000473134159 1024358765 /nfs/dbraw/zinc/35/87/65/1024358765.db2.gz WDFJPARVODHNHU-UZLBHIALSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000473134159 1024358786 /nfs/dbraw/zinc/35/87/86/1024358786.db2.gz WDFJPARVODHNHU-UZLBHIALSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134159 1024358809 /nfs/dbraw/zinc/35/88/09/1024358809.db2.gz WDFJPARVODHNHU-UZLBHIALSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134159 1024358832 /nfs/dbraw/zinc/35/88/32/1024358832.db2.gz WDFJPARVODHNHU-UZLBHIALSA-N 2 2 342.458 4.016 20 0 EIADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000341706860 1024361450 /nfs/dbraw/zinc/36/14/50/1024361450.db2.gz ISEQYLZQGZXJCN-KRWDZBQOSA-N 2 2 345.874 4.431 20 0 EIADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1Cl ZINC000432231481 1024432932 /nfs/dbraw/zinc/43/29/32/1024432932.db2.gz HVNYVSWWGOIHON-UHFFFAOYSA-N 2 2 331.262 4.097 20 0 EIADLP Clc1ccccc1-c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)no1 ZINC000419209337 1033227523 /nfs/dbraw/zinc/22/75/23/1033227523.db2.gz BGAJYTZBXNXXEQ-UHFFFAOYSA-N 2 2 342.830 4.098 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(Cl)c1Cl)CCC2 ZINC000432256776 1024793046 /nfs/dbraw/zinc/79/30/46/1024793046.db2.gz UHSDQBVZEARMPF-JTQLQIEISA-N 2 2 330.284 4.227 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)[nH]1 ZINC000535798088 1024954492 /nfs/dbraw/zinc/95/44/92/1024954492.db2.gz FUYVMLWYGVRILM-HNNXBMFYSA-N 2 2 330.501 4.294 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)[nH]1 ZINC000535798088 1024954500 /nfs/dbraw/zinc/95/45/00/1024954500.db2.gz FUYVMLWYGVRILM-HNNXBMFYSA-N 2 2 330.501 4.294 20 0 EIADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151305969 1025279968 /nfs/dbraw/zinc/27/99/68/1025279968.db2.gz STMCJOTZYWAOFV-AWEZNQCLSA-N 2 2 340.496 4.110 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)s1 ZINC000151308996 1025280278 /nfs/dbraw/zinc/28/02/78/1025280278.db2.gz QRJVMFVQJYECFA-HNNXBMFYSA-N 2 2 325.481 4.461 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151316421 1025281554 /nfs/dbraw/zinc/28/15/54/1025281554.db2.gz CBWQEEZLSGGINK-OAQYLSRUSA-N 2 2 347.462 4.243 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000151337276 1025283061 /nfs/dbraw/zinc/28/30/61/1025283061.db2.gz BGCRUDCFEDWWNQ-HXUWFJFHSA-N 2 2 341.405 4.451 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092750021 1025499591 /nfs/dbraw/zinc/49/95/91/1025499591.db2.gz VNNLBSRHJYMNIQ-HOTGVXAUSA-N 2 2 327.447 4.097 20 0 EIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000519236238 1025633880 /nfs/dbraw/zinc/63/38/80/1025633880.db2.gz PDLLHDLZXNODLG-HXUWFJFHSA-N 2 2 331.463 4.341 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638688423 1025765375 /nfs/dbraw/zinc/76/53/75/1025765375.db2.gz FWFFDOQJOOCFLC-OALUTQOASA-N 2 2 346.478 4.049 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccccc3)CCCCC2)s1 ZINC000512043949 1025832812 /nfs/dbraw/zinc/83/28/12/1025832812.db2.gz AIBYZUSXLHBIBY-UHFFFAOYSA-N 2 2 329.513 4.154 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412825 1025880792 /nfs/dbraw/zinc/88/07/92/1025880792.db2.gz DFSVODUAQGEHCK-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412825 1025880793 /nfs/dbraw/zinc/88/07/93/1025880793.db2.gz DFSVODUAQGEHCK-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187773060 1025893689 /nfs/dbraw/zinc/89/36/89/1025893689.db2.gz SHNSOESMBHZAQY-IRLDBZIGSA-N 2 2 335.495 4.150 20 0 EIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536108 1025984195 /nfs/dbraw/zinc/98/41/95/1025984195.db2.gz YGSWURMCXOFGCC-RTBURBONSA-N 2 2 333.520 4.113 20 0 EIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536108 1025984215 /nfs/dbraw/zinc/98/42/15/1025984215.db2.gz YGSWURMCXOFGCC-RTBURBONSA-N 2 2 333.520 4.113 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000344104252 1026016461 /nfs/dbraw/zinc/01/64/61/1026016461.db2.gz ILPYYWMHGHSKIB-NRFANRHFSA-N 2 2 349.453 4.280 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC ZINC000152120275 1026114009 /nfs/dbraw/zinc/11/40/09/1026114009.db2.gz YJYSAWYTNDDRPW-FQEVSTJZSA-N 2 2 335.451 4.181 20 0 EIADLP Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344197351 1026117961 /nfs/dbraw/zinc/11/79/61/1026117961.db2.gz HVQJRCBLTIUNOY-UHFFFAOYSA-N 2 2 336.464 4.056 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCCO2 ZINC000152243661 1026242767 /nfs/dbraw/zinc/24/27/67/1026242767.db2.gz XSVXYDAZMNJAKZ-LJQANCHMSA-N 2 2 333.435 4.184 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000152256082 1026259252 /nfs/dbraw/zinc/25/92/52/1026259252.db2.gz PJYJOTTZQVYWKU-CQSZACIVSA-N 2 2 334.448 4.333 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000152259781 1026259725 /nfs/dbraw/zinc/25/97/25/1026259725.db2.gz SNTJTBGVJUTVCP-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP CC(C)CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000512364631 1026804895 /nfs/dbraw/zinc/80/48/95/1026804895.db2.gz JKKGOVXJYDEIKE-UHFFFAOYSA-N 2 2 327.472 4.214 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000507506129 1026819167 /nfs/dbraw/zinc/81/91/67/1026819167.db2.gz FGDOEMJZILTWKW-BBTUJRGHSA-N 2 2 337.511 4.348 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000507506129 1026819176 /nfs/dbraw/zinc/81/91/76/1026819176.db2.gz FGDOEMJZILTWKW-BBTUJRGHSA-N 2 2 337.511 4.348 20 0 EIADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC001167603198 1026982951 /nfs/dbraw/zinc/98/29/51/1026982951.db2.gz UQZHGJFXMHIQQJ-LBPRGKRZSA-N 2 2 338.282 4.279 20 0 EIADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC001167603198 1026982959 /nfs/dbraw/zinc/98/29/59/1026982959.db2.gz UQZHGJFXMHIQQJ-LBPRGKRZSA-N 2 2 338.282 4.279 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000076003358 1027065403 /nfs/dbraw/zinc/06/54/03/1027065403.db2.gz YDLLGFCIWVWGBI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000076003358 1027065408 /nfs/dbraw/zinc/06/54/08/1027065408.db2.gz YDLLGFCIWVWGBI-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000474489109 1027143651 /nfs/dbraw/zinc/14/36/51/1027143651.db2.gz NPKLITKNDYLYGU-BZUAXINKSA-N 2 2 333.545 4.354 20 0 EIADLP Cc1[nH+]c2ccccc2c(NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000302062713 1027203213 /nfs/dbraw/zinc/20/32/13/1027203213.db2.gz CZEJASYRXZNAEK-UHFFFAOYSA-N 2 2 332.451 4.328 20 0 EIADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655717169 1027251602 /nfs/dbraw/zinc/25/16/02/1027251602.db2.gz WHITVXYGMZXRLE-PMACEKPBSA-N 2 2 348.918 4.024 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000453263106 1027362368 /nfs/dbraw/zinc/36/23/68/1027362368.db2.gz HAXOZIYTXMLOEB-DOTOQJQBSA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000453263106 1027362377 /nfs/dbraw/zinc/36/23/77/1027362377.db2.gz HAXOZIYTXMLOEB-DOTOQJQBSA-N 2 2 349.400 4.026 20 0 EIADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1Cl ZINC000657648412 1027387141 /nfs/dbraw/zinc/38/71/41/1027387141.db2.gz KOQUPQOOWVPYME-LJQANCHMSA-N 2 2 339.870 4.456 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000428352448 1027436101 /nfs/dbraw/zinc/43/61/01/1027436101.db2.gz PYDFUXDEIMWYDU-CQSZACIVSA-N 2 2 338.455 4.451 20 0 EIADLP CC(C)[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922198 1027800140 /nfs/dbraw/zinc/80/01/40/1027800140.db2.gz GJVIIDWVOUUBHL-AZUAARDMSA-N 2 2 325.500 4.114 20 0 EIADLP CC(C)[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922198 1027800150 /nfs/dbraw/zinc/80/01/50/1027800150.db2.gz GJVIIDWVOUUBHL-AZUAARDMSA-N 2 2 325.500 4.114 20 0 EIADLP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305735439 1027806896 /nfs/dbraw/zinc/80/68/96/1027806896.db2.gz LSRWHAWFNMMAJF-RVKKMQEKSA-N 2 2 341.480 4.097 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1F ZINC000926448740 1027919163 /nfs/dbraw/zinc/91/91/63/1027919163.db2.gz BCAUXRQVHZXSHK-PSASIEDQSA-N 2 2 328.218 4.064 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000189247273 1028106588 /nfs/dbraw/zinc/10/65/88/1028106588.db2.gz FTEFQVVCEOOFFS-UHFFFAOYSA-N 2 2 343.833 4.056 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@]4(CC=CCC4)C3)sc2C1 ZINC000346225748 1028332078 /nfs/dbraw/zinc/33/20/78/1028332078.db2.gz SNDPPXOHILGLEI-HXUWFJFHSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@]4(CC=CCC4)C3)sc2C1 ZINC000346225748 1028332092 /nfs/dbraw/zinc/33/20/92/1028332092.db2.gz SNDPPXOHILGLEI-HXUWFJFHSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)sc2C1 ZINC000346225748 1028332110 /nfs/dbraw/zinc/33/21/10/1028332110.db2.gz SNDPPXOHILGLEI-HXUWFJFHSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)sc2C1 ZINC000346225748 1028332126 /nfs/dbraw/zinc/33/21/26/1028332126.db2.gz SNDPPXOHILGLEI-HXUWFJFHSA-N 2 2 345.556 4.232 20 0 EIADLP c1cn(C2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c[nH+]1 ZINC000281055956 1028362793 /nfs/dbraw/zinc/36/27/93/1028362793.db2.gz RISRDHNKYPIOIK-UHFFFAOYSA-N 2 2 331.463 4.352 20 0 EIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Br ZINC000523851821 1028420684 /nfs/dbraw/zinc/42/06/84/1028420684.db2.gz DTPVVROFHFCFOT-CZUORRHYSA-N 2 2 341.337 4.466 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125881021 1028492285 /nfs/dbraw/zinc/49/22/85/1028492285.db2.gz VIDXWLZWTRPVAP-OAQYLSRUSA-N 2 2 348.494 4.129 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125881021 1028492301 /nfs/dbraw/zinc/49/23/01/1028492301.db2.gz VIDXWLZWTRPVAP-OAQYLSRUSA-N 2 2 348.494 4.129 20 0 EIADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000156219757 1028674648 /nfs/dbraw/zinc/67/46/48/1028674648.db2.gz PUXJDAQVTNYCEV-FQEVSTJZSA-N 2 2 339.483 4.190 20 0 EIADLP C[C@@H]([NH2+]CCCNc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346868073 1028801833 /nfs/dbraw/zinc/80/18/33/1028801833.db2.gz JFMQRTBGZVCHRH-MRXNPFEDSA-N 2 2 338.430 4.164 20 0 EIADLP Cc1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000346976872 1028837599 /nfs/dbraw/zinc/83/75/99/1028837599.db2.gz VOYIGIIHAWTFJO-YOEHRIQHSA-N 2 2 344.528 4.073 20 0 EIADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347040396 1028851109 /nfs/dbraw/zinc/85/11/09/1028851109.db2.gz ANVKLKLPNCSVOI-UHFFFAOYSA-N 2 2 345.315 4.086 20 0 EIADLP Fc1cccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000151111995 1029067092 /nfs/dbraw/zinc/06/70/92/1029067092.db2.gz PLRHRSFUHOIREX-HXUWFJFHSA-N 2 2 341.405 4.125 20 0 EIADLP C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cccc21 ZINC001213090962 1029262340 /nfs/dbraw/zinc/26/23/40/1029262340.db2.gz OPUHFXGKLIOYMJ-GOSISDBHSA-N 2 2 334.423 4.206 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056817 1029311361 /nfs/dbraw/zinc/31/13/61/1029311361.db2.gz ITDSZQIWIRWWHC-PMACEKPBSA-N 3 2 345.575 4.092 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056817 1029311377 /nfs/dbraw/zinc/31/13/77/1029311377.db2.gz ITDSZQIWIRWWHC-PMACEKPBSA-N 3 2 345.575 4.092 20 0 EIADLP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158191521 1029389470 /nfs/dbraw/zinc/38/94/70/1029389470.db2.gz KKFYVVSBUCAJKF-LJQANCHMSA-N 3 2 340.515 4.035 20 0 EIADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000324836526 1029391406 /nfs/dbraw/zinc/39/14/06/1029391406.db2.gz JGCMUZPIWVCRCF-UHFFFAOYSA-N 2 2 341.480 4.132 20 0 EIADLP CCOc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000278549701 1029473011 /nfs/dbraw/zinc/47/30/11/1029473011.db2.gz UWSNUHKMKDSFIN-OAHLLOKOSA-N 2 2 339.414 4.261 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1C ZINC000475329510 1029539034 /nfs/dbraw/zinc/53/90/34/1029539034.db2.gz LYLZVGBBMFLMPS-LPEUENSQSA-N 2 2 332.454 4.206 20 0 EIADLP Clc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301602809 1029771496 /nfs/dbraw/zinc/77/14/96/1029771496.db2.gz WNGKOEFWWLCVOZ-UHFFFAOYSA-N 2 2 336.266 4.101 20 0 EIADLP Clc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301602809 1029771511 /nfs/dbraw/zinc/77/15/11/1029771511.db2.gz WNGKOEFWWLCVOZ-UHFFFAOYSA-N 2 2 336.266 4.101 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000301710778 1029794162 /nfs/dbraw/zinc/79/41/62/1029794162.db2.gz KGFWRQAZYQAPOH-CQSZACIVSA-N 2 2 340.858 4.081 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000092073921 1029899348 /nfs/dbraw/zinc/89/93/48/1029899348.db2.gz UZXRSIDLULWDBM-MRXNPFEDSA-N 2 2 338.480 4.221 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000092073921 1029899349 /nfs/dbraw/zinc/89/93/49/1029899349.db2.gz UZXRSIDLULWDBM-MRXNPFEDSA-N 2 2 338.480 4.221 20 0 EIADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092073916 1029899863 /nfs/dbraw/zinc/89/98/63/1029899863.db2.gz NMLJQVHCWHLZHB-LBPRGKRZSA-N 2 2 341.789 4.044 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742202 1029981695 /nfs/dbraw/zinc/98/16/95/1029981695.db2.gz NMFHSGIQMNYCRJ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742202 1029981732 /nfs/dbraw/zinc/98/17/32/1029981732.db2.gz NMFHSGIQMNYCRJ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742202 1029981758 /nfs/dbraw/zinc/98/17/58/1029981758.db2.gz NMFHSGIQMNYCRJ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742202 1029981784 /nfs/dbraw/zinc/98/17/84/1029981784.db2.gz NMFHSGIQMNYCRJ-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CC(C)CCc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000146684041 1030094639 /nfs/dbraw/zinc/09/46/39/1030094639.db2.gz HGVFMRUWKIYQTF-UHFFFAOYSA-N 2 2 335.561 4.040 20 0 EIADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930170 1030103039 /nfs/dbraw/zinc/10/30/39/1030103039.db2.gz VUTXVJMIPWEILH-HZPDHXFCSA-N 2 2 337.458 4.224 20 0 EIADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450930170 1030103044 /nfs/dbraw/zinc/10/30/44/1030103044.db2.gz VUTXVJMIPWEILH-HZPDHXFCSA-N 2 2 337.458 4.224 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000363543163 1030193284 /nfs/dbraw/zinc/19/32/84/1030193284.db2.gz DJUKTOMCGFBGNB-IACUBPJLSA-N 2 2 344.833 4.219 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000363543163 1030193306 /nfs/dbraw/zinc/19/33/06/1030193306.db2.gz DJUKTOMCGFBGNB-IACUBPJLSA-N 2 2 344.833 4.219 20 0 EIADLP Cc1ccccc1OCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429723756 1030241182 /nfs/dbraw/zinc/24/11/82/1030241182.db2.gz LGJMKBUHEUYMCM-UHFFFAOYSA-N 2 2 340.467 4.011 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447730179 1030293792 /nfs/dbraw/zinc/29/37/92/1030293792.db2.gz JODITUZGQKGCEX-INIZCTEOSA-N 2 2 338.898 4.075 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447730179 1030293811 /nfs/dbraw/zinc/29/38/11/1030293811.db2.gz JODITUZGQKGCEX-INIZCTEOSA-N 2 2 338.898 4.075 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447730179 1030293839 /nfs/dbraw/zinc/29/38/39/1030293839.db2.gz JODITUZGQKGCEX-INIZCTEOSA-N 2 2 338.898 4.075 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447730179 1030293858 /nfs/dbraw/zinc/29/38/58/1030293858.db2.gz JODITUZGQKGCEX-INIZCTEOSA-N 2 2 338.898 4.075 20 0 EIADLP Fc1cccc(Cl)c1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000447820849 1030344911 /nfs/dbraw/zinc/34/49/11/1030344911.db2.gz ISPABLXHUUMULQ-UHFFFAOYSA-N 2 2 347.865 4.065 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)CC2=Cc3ccccc3OC2)CC1 ZINC000685467551 1030355399 /nfs/dbraw/zinc/35/53/99/1030355399.db2.gz WPMRBIQSRRYZQW-UHFFFAOYSA-N 2 2 348.490 4.059 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)CC2=Cc3ccccc3OC2)CC1 ZINC000685467551 1030355419 /nfs/dbraw/zinc/35/54/19/1030355419.db2.gz WPMRBIQSRRYZQW-UHFFFAOYSA-N 2 2 348.490 4.059 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccnc3ccccc23)CC1 ZINC000685467905 1030356549 /nfs/dbraw/zinc/35/65/49/1030356549.db2.gz LXEUVBKDEGQNNT-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccnc3ccccc23)CC1 ZINC000685467905 1030356564 /nfs/dbraw/zinc/35/65/64/1030356564.db2.gz LXEUVBKDEGQNNT-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3cccc4cnccc43)CC2)c[nH+]1 ZINC000685459572 1030359128 /nfs/dbraw/zinc/35/91/28/1030359128.db2.gz LNRQHPBLDFLCQI-UHFFFAOYSA-N 2 2 334.467 4.124 20 0 EIADLP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188951524 1030444927 /nfs/dbraw/zinc/44/49/27/1030444927.db2.gz GBECXMNZCLUXLW-NRFANRHFSA-N 2 2 336.479 4.073 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1csc(Cl)c1 ZINC000191293562 1030614331 /nfs/dbraw/zinc/61/43/31/1030614331.db2.gz LHOQCNUIDXFBKL-KEYYUXOJSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1csc(Cl)c1 ZINC000191293562 1030614336 /nfs/dbraw/zinc/61/43/36/1030614336.db2.gz LHOQCNUIDXFBKL-KEYYUXOJSA-N 2 2 349.931 4.358 20 0 EIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657981492 1030736414 /nfs/dbraw/zinc/73/64/14/1030736414.db2.gz ROVRRCUVJKFGEG-MBOZVWFJSA-N 2 2 325.500 4.178 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527772267 1030851746 /nfs/dbraw/zinc/85/17/46/1030851746.db2.gz NUEJLIQNVGMDLD-HSZRJFAPSA-N 2 2 349.522 4.220 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925280 1030920572 /nfs/dbraw/zinc/92/05/72/1030920572.db2.gz MDNBYPWATRRAJK-VGSWGCGISA-N 2 2 341.543 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925280 1030920596 /nfs/dbraw/zinc/92/05/96/1030920596.db2.gz MDNBYPWATRRAJK-VGSWGCGISA-N 2 2 341.543 4.098 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925274 1030921698 /nfs/dbraw/zinc/92/16/98/1030921698.db2.gz MDNBYPWATRRAJK-HTAPYJJXSA-N 2 2 341.543 4.098 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925274 1030921713 /nfs/dbraw/zinc/92/17/13/1030921713.db2.gz MDNBYPWATRRAJK-HTAPYJJXSA-N 2 2 341.543 4.098 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004880 1031026378 /nfs/dbraw/zinc/02/63/78/1031026378.db2.gz YBPQADCINUZXMG-HBFSDRIKSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004880 1031026401 /nfs/dbraw/zinc/02/64/01/1031026401.db2.gz YBPQADCINUZXMG-HBFSDRIKSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004876 1031027355 /nfs/dbraw/zinc/02/73/55/1031027355.db2.gz YBPQADCINUZXMG-GGPKGHCWSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004876 1031027375 /nfs/dbraw/zinc/02/73/75/1031027375.db2.gz YBPQADCINUZXMG-GGPKGHCWSA-N 2 2 327.516 4.023 20 0 EIADLP COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532454851 1031097062 /nfs/dbraw/zinc/09/70/62/1031097062.db2.gz ZXPSPMLBZQQMLG-QGZVFWFLSA-N 2 2 335.451 4.083 20 0 EIADLP Clc1ccc(-c2cnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000111243311 1031330243 /nfs/dbraw/zinc/33/02/43/1031330243.db2.gz ISDDOBWCUDIDOS-UHFFFAOYSA-N 2 2 342.830 4.029 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037116 1031373239 /nfs/dbraw/zinc/37/32/39/1031373239.db2.gz MIKXZFDSROJEPI-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037116 1031373262 /nfs/dbraw/zinc/37/32/62/1031373262.db2.gz MIKXZFDSROJEPI-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037116 1031373281 /nfs/dbraw/zinc/37/32/81/1031373281.db2.gz MIKXZFDSROJEPI-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449037116 1031373299 /nfs/dbraw/zinc/37/32/99/1031373299.db2.gz MIKXZFDSROJEPI-OAHLLOKOSA-N 2 2 347.503 4.113 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151695955 1031425972 /nfs/dbraw/zinc/42/59/72/1031425972.db2.gz QEWQQUUNAAUBBM-GOSISDBHSA-N 2 2 346.478 4.192 20 0 EIADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc2ccccc21 ZINC000449077574 1031432923 /nfs/dbraw/zinc/43/29/23/1031432923.db2.gz KIOMFQUZMIMKML-UHFFFAOYSA-N 2 2 347.462 4.002 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000531701646 1031484441 /nfs/dbraw/zinc/48/44/41/1031484441.db2.gz AWQRCYWIGARSLR-XJKSGUPXSA-N 2 2 348.288 4.264 20 0 EIADLP C[C@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000449156720 1031487143 /nfs/dbraw/zinc/48/71/43/1031487143.db2.gz OOSMUNUUMWMOKE-QZTJIDSGSA-N 2 2 332.532 4.301 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCCC23CCC3)CCOCC1)c1ccccc1 ZINC000449158507 1031487827 /nfs/dbraw/zinc/48/78/27/1031487827.db2.gz UKPFKBGXFLQADV-QUCCMNQESA-N 2 2 342.527 4.199 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453086999 1031576710 /nfs/dbraw/zinc/57/67/10/1031576710.db2.gz HTEANXPWPHNGLY-QGZVFWFLSA-N 2 2 349.482 4.025 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000125180132 1031577677 /nfs/dbraw/zinc/57/76/77/1031577677.db2.gz FXXXIIPABASKQC-QZTJIDSGSA-N 2 2 340.515 4.340 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000453128515 1031630738 /nfs/dbraw/zinc/63/07/38/1031630738.db2.gz WWXXWVJSOWUINX-QZTJIDSGSA-N 2 2 334.467 4.329 20 0 EIADLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449318709 1031632692 /nfs/dbraw/zinc/63/26/92/1031632692.db2.gz DPOHZXLQXKKCGO-GOSISDBHSA-N 2 2 346.563 4.140 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cn1 ZINC000126459340 1031647321 /nfs/dbraw/zinc/64/73/21/1031647321.db2.gz ZDJWAQGHDHTPDX-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP CO[C@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000453317706 1031841699 /nfs/dbraw/zinc/84/16/99/1031841699.db2.gz JEDOFCRSYGQXLN-DYESRHJHSA-N 2 2 335.451 4.085 20 0 EIADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168263173 1031858911 /nfs/dbraw/zinc/85/89/11/1031858911.db2.gz BNSLMHNPSFBANM-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168263173 1031858913 /nfs/dbraw/zinc/85/89/13/1031858913.db2.gz BNSLMHNPSFBANM-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168263173 1031858914 /nfs/dbraw/zinc/85/89/14/1031858914.db2.gz BNSLMHNPSFBANM-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168263173 1031858916 /nfs/dbraw/zinc/85/89/16/1031858916.db2.gz BNSLMHNPSFBANM-HNAYVOBHSA-N 2 2 348.918 4.187 20 0 EIADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)c(C)s1 ZINC000359884589 1031896121 /nfs/dbraw/zinc/89/61/21/1031896121.db2.gz YRLKDJINEFBROQ-KZULUSFZSA-N 2 2 349.569 4.130 20 0 EIADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c(C)s1 ZINC000359884589 1031896126 /nfs/dbraw/zinc/89/61/26/1031896126.db2.gz YRLKDJINEFBROQ-KZULUSFZSA-N 2 2 349.569 4.130 20 0 EIADLP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459358553 1031920668 /nfs/dbraw/zinc/92/06/68/1031920668.db2.gz BCRZSWPARSLNLY-MBSDFSHPSA-N 2 2 345.490 4.041 20 0 EIADLP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459358553 1031920675 /nfs/dbraw/zinc/92/06/75/1031920675.db2.gz BCRZSWPARSLNLY-MBSDFSHPSA-N 2 2 345.490 4.041 20 0 EIADLP c1cc2[nH+]ccc(N3CCC(c4[nH+]cc5n4CCCC5)CC3)c2s1 ZINC000432942724 1033471516 /nfs/dbraw/zinc/47/15/16/1033471516.db2.gz HURGMZACDNZDOM-UHFFFAOYSA-N 2 2 338.480 4.213 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489333 1034983278 /nfs/dbraw/zinc/98/32/78/1034983278.db2.gz HHSNQIFRGBAMCK-DYESRHJHSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489333 1034983287 /nfs/dbraw/zinc/98/32/87/1034983287.db2.gz HHSNQIFRGBAMCK-DYESRHJHSA-N 2 2 338.495 4.499 20 0 EIADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000280173407 1035196478 /nfs/dbraw/zinc/19/64/78/1035196478.db2.gz GDQCIWMLYKYNMB-XLIONFOSSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345694439 1035282385 /nfs/dbraw/zinc/28/23/85/1035282385.db2.gz KLEWDFIPKYKBBT-LBPRGKRZSA-N 2 2 345.397 4.095 20 0 EIADLP Cc1nc([C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308728 1035505572 /nfs/dbraw/zinc/50/55/72/1035505572.db2.gz DADNMELYURSNOX-ACJLOTCBSA-N 2 2 333.863 4.035 20 0 EIADLP Cc1nc([C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308728 1035505587 /nfs/dbraw/zinc/50/55/87/1035505587.db2.gz DADNMELYURSNOX-ACJLOTCBSA-N 2 2 333.863 4.035 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000151166254 1035543068 /nfs/dbraw/zinc/54/30/68/1035543068.db2.gz URQWISNVSVAYFE-CQSZACIVSA-N 2 2 341.952 4.273 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000151166254 1035543113 /nfs/dbraw/zinc/54/31/13/1035543113.db2.gz URQWISNVSVAYFE-CQSZACIVSA-N 2 2 341.952 4.273 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000570886875 1035823822 /nfs/dbraw/zinc/82/38/22/1035823822.db2.gz NESGLPPCRKFHOJ-INIZCTEOSA-N 2 2 339.870 4.478 20 0 EIADLP Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000195437090 1035844188 /nfs/dbraw/zinc/84/41/88/1035844188.db2.gz PASVRPKNENFJPM-UHFFFAOYSA-N 2 2 325.843 4.183 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000319650906 1035888323 /nfs/dbraw/zinc/88/83/23/1035888323.db2.gz DKPBOCQVESCCKA-HOTGVXAUSA-N 2 2 333.476 4.264 20 0 EIADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001204925090 1036248725 /nfs/dbraw/zinc/24/87/25/1036248725.db2.gz MBIXBXYCFKIQQN-IBGZPJMESA-N 2 2 349.478 4.060 20 0 EIADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001204925090 1036248745 /nfs/dbraw/zinc/24/87/45/1036248745.db2.gz MBIXBXYCFKIQQN-IBGZPJMESA-N 2 2 349.478 4.060 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827279 1036781448 /nfs/dbraw/zinc/78/14/48/1036781448.db2.gz XDDJVPSLXACHIE-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827279 1036781461 /nfs/dbraw/zinc/78/14/61/1036781461.db2.gz XDDJVPSLXACHIE-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1Cl)[N@H+](C)Cc1ccccc1 ZINC000421829224 1036786220 /nfs/dbraw/zinc/78/62/20/1036786220.db2.gz HCQWTHDKCVKYEU-HOTGVXAUSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000421829224 1036786235 /nfs/dbraw/zinc/78/62/35/1036786235.db2.gz HCQWTHDKCVKYEU-HOTGVXAUSA-N 2 2 331.891 4.296 20 0 EIADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000590073772 1036950859 /nfs/dbraw/zinc/95/08/59/1036950859.db2.gz CJNVOEMRRZABMN-INIZCTEOSA-N 2 2 329.513 4.288 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303049 1037496690 /nfs/dbraw/zinc/49/66/90/1037496690.db2.gz TWRYZSFGKHZRCO-IRXDYDNUSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303049 1037496694 /nfs/dbraw/zinc/49/66/94/1037496694.db2.gz TWRYZSFGKHZRCO-IRXDYDNUSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303049 1037496704 /nfs/dbraw/zinc/49/67/04/1037496704.db2.gz TWRYZSFGKHZRCO-IRXDYDNUSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303049 1037496721 /nfs/dbraw/zinc/49/67/21/1037496721.db2.gz TWRYZSFGKHZRCO-IRXDYDNUSA-N 2 2 343.490 4.393 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806814 1037692167 /nfs/dbraw/zinc/69/21/67/1037692167.db2.gz OHMIXJHFVPGTKS-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806814 1037692174 /nfs/dbraw/zinc/69/21/74/1037692174.db2.gz OHMIXJHFVPGTKS-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806814 1037692182 /nfs/dbraw/zinc/69/21/82/1037692182.db2.gz OHMIXJHFVPGTKS-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(Cl)cn3)C2)s1 ZINC000573806814 1037692187 /nfs/dbraw/zinc/69/21/87/1037692187.db2.gz OHMIXJHFVPGTKS-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000605155591 1037698771 /nfs/dbraw/zinc/69/87/71/1037698771.db2.gz VGQKTVBIXDIVCJ-HXUWFJFHSA-N 2 2 335.476 4.162 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCS[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000605155591 1037698780 /nfs/dbraw/zinc/69/87/80/1037698780.db2.gz VGQKTVBIXDIVCJ-HXUWFJFHSA-N 2 2 335.476 4.162 20 0 EIADLP CCc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503366815 1037712070 /nfs/dbraw/zinc/71/20/70/1037712070.db2.gz KKAOZYLQGLCMJA-HXUWFJFHSA-N 2 2 337.511 4.204 20 0 EIADLP CCc1ccc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503366815 1037712089 /nfs/dbraw/zinc/71/20/89/1037712089.db2.gz KKAOZYLQGLCMJA-HXUWFJFHSA-N 2 2 337.511 4.204 20 0 EIADLP Clc1ccccc1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503368707 1037714183 /nfs/dbraw/zinc/71/41/83/1037714183.db2.gz NOIRJRAUJGVXMA-QGZVFWFLSA-N 2 2 343.902 4.295 20 0 EIADLP Clc1ccccc1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503368707 1037714198 /nfs/dbraw/zinc/71/41/98/1037714198.db2.gz NOIRJRAUJGVXMA-QGZVFWFLSA-N 2 2 343.902 4.295 20 0 EIADLP Clc1ccc(-c2cnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000605421226 1037776008 /nfs/dbraw/zinc/77/60/08/1037776008.db2.gz VFOZQZDHLISARM-UHFFFAOYSA-N 2 2 342.830 4.098 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422743180 1037822566 /nfs/dbraw/zinc/82/25/66/1037822566.db2.gz RAEQHQRRCWZGKK-WQGACYEGSA-N 2 2 333.476 4.049 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000422786772 1037831961 /nfs/dbraw/zinc/83/19/61/1037831961.db2.gz QSVPLCHWMHAPOC-IQUTYRLHSA-N 2 2 332.875 4.153 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422967256 1037883008 /nfs/dbraw/zinc/88/30/08/1037883008.db2.gz OTCKRCNGMFAORR-GOTSBHOMSA-N 3 2 349.522 4.153 20 0 EIADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC000423235556 1038053614 /nfs/dbraw/zinc/05/36/14/1038053614.db2.gz GMBGKGFMNIGAEL-ZWKOTPCHSA-N 2 2 349.503 4.477 20 0 EIADLP CCCc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000414722294 1038054709 /nfs/dbraw/zinc/05/47/09/1038054709.db2.gz FEKKTZKGCGARJN-LJQANCHMSA-N 2 2 343.540 4.016 20 0 EIADLP CCCc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000414722294 1038054723 /nfs/dbraw/zinc/05/47/23/1038054723.db2.gz FEKKTZKGCGARJN-LJQANCHMSA-N 2 2 343.540 4.016 20 0 EIADLP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000423309070 1038104387 /nfs/dbraw/zinc/10/43/87/1038104387.db2.gz YSPQIKHAJUKROK-LBPRGKRZSA-N 2 2 334.822 4.141 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423571464 1038298630 /nfs/dbraw/zinc/29/86/30/1038298630.db2.gz XOHSBRBWXGEFOR-TZMCWYRMSA-N 2 2 333.476 4.050 20 0 EIADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000490131541 1038353916 /nfs/dbraw/zinc/35/39/16/1038353916.db2.gz XGEIGJPKCXQMPB-LJQANCHMSA-N 2 2 343.540 4.168 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168567 1038366967 /nfs/dbraw/zinc/36/69/67/1038366967.db2.gz XJWDOVWJSQMGBJ-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168567 1038366977 /nfs/dbraw/zinc/36/69/77/1038366977.db2.gz XJWDOVWJSQMGBJ-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172178 1038369768 /nfs/dbraw/zinc/36/97/68/1038369768.db2.gz LOAPYKZTHGOYCZ-QAPCUYQASA-N 2 2 347.503 4.235 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172178 1038369783 /nfs/dbraw/zinc/36/97/83/1038369783.db2.gz LOAPYKZTHGOYCZ-QAPCUYQASA-N 2 2 347.503 4.235 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490296179 1038453749 /nfs/dbraw/zinc/45/37/49/1038453749.db2.gz DAIDTGWHCNMIOH-STQMWFEESA-N 2 2 334.261 4.113 20 0 EIADLP COc1ccccc1-c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000608054480 1038516155 /nfs/dbraw/zinc/51/61/55/1038516155.db2.gz PTTAHEJEAUFWEP-UHFFFAOYSA-N 2 2 335.451 4.129 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000480745739 1038784907 /nfs/dbraw/zinc/78/49/07/1038784907.db2.gz DGRVUZKUAOBCRG-KGLIPLIRSA-N 2 2 345.393 4.377 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000149416895 1038791431 /nfs/dbraw/zinc/79/14/31/1038791431.db2.gz UHABJRTVQYKHQN-GFCCVEGCSA-N 2 2 343.284 4.113 20 0 EIADLP CC[C@H](C)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000481083482 1039024865 /nfs/dbraw/zinc/02/48/65/1039024865.db2.gz AHUIDURLVMYDHI-INIZCTEOSA-N 2 2 332.536 4.245 20 0 EIADLP CC[C@H](C)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000481083482 1039024890 /nfs/dbraw/zinc/02/48/90/1039024890.db2.gz AHUIDURLVMYDHI-INIZCTEOSA-N 2 2 332.536 4.245 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000481308494 1039252279 /nfs/dbraw/zinc/25/22/79/1039252279.db2.gz MSJSPZZLKASWOJ-QGZVFWFLSA-N 2 2 326.484 4.466 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)(F)F ZINC000481446547 1039442611 /nfs/dbraw/zinc/44/26/11/1039442611.db2.gz RECMBMKOQGYLBS-ZDUSSCGKSA-N 2 2 342.405 4.253 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434547233 1039610738 /nfs/dbraw/zinc/61/07/38/1039610738.db2.gz MFLGRGPYFKRFSN-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434547233 1039610749 /nfs/dbraw/zinc/61/07/49/1039610749.db2.gz MFLGRGPYFKRFSN-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000097036194 1039859569 /nfs/dbraw/zinc/85/95/69/1039859569.db2.gz NTQQZPGZENDASD-CQSZACIVSA-N 2 2 327.378 4.344 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000097036194 1039859570 /nfs/dbraw/zinc/85/95/70/1039859570.db2.gz NTQQZPGZENDASD-CQSZACIVSA-N 2 2 327.378 4.344 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000097036192 1039860172 /nfs/dbraw/zinc/86/01/72/1039860172.db2.gz NTQQZPGZENDASD-AWEZNQCLSA-N 2 2 327.378 4.344 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000097036192 1039860175 /nfs/dbraw/zinc/86/01/75/1039860175.db2.gz NTQQZPGZENDASD-AWEZNQCLSA-N 2 2 327.378 4.344 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551006589 1039869011 /nfs/dbraw/zinc/86/90/11/1039869011.db2.gz YHHBQVOUWWZNHK-QSFXBCCZSA-N 2 2 342.458 4.320 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551006589 1039869013 /nfs/dbraw/zinc/86/90/13/1039869013.db2.gz YHHBQVOUWWZNHK-QSFXBCCZSA-N 2 2 342.458 4.320 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551006587 1039869464 /nfs/dbraw/zinc/86/94/64/1039869464.db2.gz YHHBQVOUWWZNHK-CVAIRZPRSA-N 2 2 342.458 4.320 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551006587 1039869467 /nfs/dbraw/zinc/86/94/67/1039869467.db2.gz YHHBQVOUWWZNHK-CVAIRZPRSA-N 2 2 342.458 4.320 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000551087221 1039973892 /nfs/dbraw/zinc/97/38/92/1039973892.db2.gz NKZHCSCIHOQXRL-QXAKKESOSA-N 2 2 342.870 4.199 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000551087221 1039973909 /nfs/dbraw/zinc/97/39/09/1039973909.db2.gz NKZHCSCIHOQXRL-QXAKKESOSA-N 2 2 342.870 4.199 20 0 EIADLP C(=C\c1ccccc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482082848 1040001764 /nfs/dbraw/zinc/00/17/64/1040001764.db2.gz YWTUXGGQTBTSOY-YFHOEESVSA-N 2 2 330.541 4.041 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000482135643 1040027925 /nfs/dbraw/zinc/02/79/25/1040027925.db2.gz ODFNROSEDGNLCP-ULQDDVLXSA-N 2 2 329.488 4.379 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000479163419 1040190343 /nfs/dbraw/zinc/19/03/43/1040190343.db2.gz FIIHYZLBHUOFOC-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573290 1040392619 /nfs/dbraw/zinc/39/26/19/1040392619.db2.gz HOQIPXHBYVIQJQ-INIZCTEOSA-N 2 2 348.450 4.374 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000482632037 1040396529 /nfs/dbraw/zinc/39/65/29/1040396529.db2.gz PCWRKEKMSFTKKV-QGZVFWFLSA-N 2 2 340.511 4.380 20 0 EIADLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492039 1040403060 /nfs/dbraw/zinc/40/30/60/1040403060.db2.gz UNWMOMVEEKMUSS-LYAPFXNSSA-N 2 2 332.454 4.350 20 0 EIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479534704 1040439012 /nfs/dbraw/zinc/43/90/12/1040439012.db2.gz XJMVVMKLVHQTRX-ODIFPOPNSA-N 2 2 336.907 4.406 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000482778026 1040483370 /nfs/dbraw/zinc/48/33/70/1040483370.db2.gz IYZPOEBHLVHEIV-KSSFIOAISA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000482778026 1040483378 /nfs/dbraw/zinc/48/33/78/1040483378.db2.gz IYZPOEBHLVHEIV-KSSFIOAISA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778026 1040483390 /nfs/dbraw/zinc/48/33/90/1040483390.db2.gz IYZPOEBHLVHEIV-KSSFIOAISA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778026 1040483403 /nfs/dbraw/zinc/48/34/03/1040483403.db2.gz IYZPOEBHLVHEIV-KSSFIOAISA-N 2 2 336.907 4.043 20 0 EIADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000539500182 1040491535 /nfs/dbraw/zinc/49/15/35/1040491535.db2.gz SUNXDKTXYPBGRC-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435630134 1040512407 /nfs/dbraw/zinc/51/24/07/1040512407.db2.gz ZSQVKUNXUAKUAX-KRWDZBQOSA-N 2 2 347.890 4.267 20 0 EIADLP CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435630134 1040512425 /nfs/dbraw/zinc/51/24/25/1040512425.db2.gz ZSQVKUNXUAKUAX-KRWDZBQOSA-N 2 2 347.890 4.267 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000436054030 1040856864 /nfs/dbraw/zinc/85/68/64/1040856864.db2.gz PBUSANDYLHZGNS-GJZGRUSLSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000436054030 1040856874 /nfs/dbraw/zinc/85/68/74/1040856874.db2.gz PBUSANDYLHZGNS-GJZGRUSLSA-N 2 2 349.931 4.278 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483546058 1040889274 /nfs/dbraw/zinc/88/92/74/1040889274.db2.gz REDYCXHSARZEPN-JKSUJKDBSA-N 2 2 339.414 4.130 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(F)cc1 ZINC000483618643 1040914900 /nfs/dbraw/zinc/91/49/00/1040914900.db2.gz GKDLJRAEDLNNTE-HZPDHXFCSA-N 2 2 339.414 4.130 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000462805579 1040975354 /nfs/dbraw/zinc/97/53/54/1040975354.db2.gz HOSMQCCAFRQWFV-JYJNAYRXSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)c1C ZINC000483857248 1041057127 /nfs/dbraw/zinc/05/71/27/1041057127.db2.gz SWXPLBOPHUHNSL-QFBILLFUSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)c1C ZINC000483857248 1041057147 /nfs/dbraw/zinc/05/71/47/1041057147.db2.gz SWXPLBOPHUHNSL-QFBILLFUSA-N 2 2 339.483 4.063 20 0 EIADLP C[N@H+](CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000480256007 1041123415 /nfs/dbraw/zinc/12/34/15/1041123415.db2.gz YCWTTYMTDXPNMB-UHFFFAOYSA-N 3 2 335.580 4.028 20 0 EIADLP C[N@@H+](CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000480256007 1041123433 /nfs/dbraw/zinc/12/34/33/1041123433.db2.gz YCWTTYMTDXPNMB-UHFFFAOYSA-N 3 2 335.580 4.028 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484180319 1041154993 /nfs/dbraw/zinc/15/49/93/1041154993.db2.gz TXDXPMYBEZGDCY-FHWLQOOXSA-N 2 2 344.543 4.301 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000538553355 1041417335 /nfs/dbraw/zinc/41/73/35/1041417335.db2.gz DYUMVGSMGUDSCJ-LAUBAEHRSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000538553355 1041417339 /nfs/dbraw/zinc/41/73/39/1041417339.db2.gz DYUMVGSMGUDSCJ-LAUBAEHRSA-N 2 2 338.470 4.458 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000554890516 1041475003 /nfs/dbraw/zinc/47/50/03/1041475003.db2.gz ZOMKCSTUCRJKNY-VXKWHMMOSA-N 2 2 331.463 4.357 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719496 1041490011 /nfs/dbraw/zinc/49/00/11/1041490011.db2.gz PFNMBUZFNAIXSR-MAUKXSAKSA-N 2 2 335.561 4.353 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719496 1041490016 /nfs/dbraw/zinc/49/00/16/1041490016.db2.gz PFNMBUZFNAIXSR-MAUKXSAKSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719496 1041490024 /nfs/dbraw/zinc/49/00/24/1041490024.db2.gz PFNMBUZFNAIXSR-MAUKXSAKSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719496 1041490030 /nfs/dbraw/zinc/49/00/30/1041490030.db2.gz PFNMBUZFNAIXSR-MAUKXSAKSA-N 2 2 335.561 4.353 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000480750009 1041507430 /nfs/dbraw/zinc/50/74/30/1041507430.db2.gz MDHJKBCWNIAHTN-MSOLQXFVSA-N 2 2 335.451 4.201 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000484908983 1041514493 /nfs/dbraw/zinc/51/44/93/1041514493.db2.gz SCZGAYAXZZWWMF-WMLDXEAASA-N 2 2 329.513 4.103 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000484908983 1041514503 /nfs/dbraw/zinc/51/45/03/1041514503.db2.gz SCZGAYAXZZWWMF-WMLDXEAASA-N 2 2 329.513 4.103 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437791852 1041913232 /nfs/dbraw/zinc/91/32/32/1041913232.db2.gz HTYPVOCBVOQNKU-DWLFOUALSA-N 2 2 337.511 4.185 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437791852 1041913246 /nfs/dbraw/zinc/91/32/46/1041913246.db2.gz HTYPVOCBVOQNKU-DWLFOUALSA-N 2 2 337.511 4.185 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844503 1042135626 /nfs/dbraw/zinc/13/56/26/1042135626.db2.gz RBIZCFFTYNXAQL-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844503 1042135630 /nfs/dbraw/zinc/13/56/30/1042135630.db2.gz RBIZCFFTYNXAQL-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000464770016 1042149143 /nfs/dbraw/zinc/14/91/43/1042149143.db2.gz BIIMDJOCPIYXEV-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000464770016 1042149145 /nfs/dbraw/zinc/14/91/45/1042149145.db2.gz BIIMDJOCPIYXEV-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841467 1042192680 /nfs/dbraw/zinc/19/26/80/1042192680.db2.gz XPHYZSPUYJAGTB-IEBWSBKVSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841467 1042192685 /nfs/dbraw/zinc/19/26/85/1042192685.db2.gz XPHYZSPUYJAGTB-IEBWSBKVSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841467 1042192686 /nfs/dbraw/zinc/19/26/86/1042192686.db2.gz XPHYZSPUYJAGTB-IEBWSBKVSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841467 1042192691 /nfs/dbraw/zinc/19/26/91/1042192691.db2.gz XPHYZSPUYJAGTB-IEBWSBKVSA-N 2 2 326.459 4.341 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237141206 1042431190 /nfs/dbraw/zinc/43/11/90/1042431190.db2.gz VHBMKGZQHKQECN-HTXNQAPBSA-N 2 2 349.522 4.415 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237142840 1042686342 /nfs/dbraw/zinc/68/63/42/1042686342.db2.gz DCAPMYSYADYYJD-UHFFFAOYSA-N 2 2 343.902 4.165 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)Cc1ccsc1 ZINC000426486743 1042758660 /nfs/dbraw/zinc/75/86/60/1042758660.db2.gz QRAZCWNCBHROSX-MRXNPFEDSA-N 2 2 325.481 4.387 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)Cc1ccsc1 ZINC000426486743 1042758665 /nfs/dbraw/zinc/75/86/65/1042758665.db2.gz QRAZCWNCBHROSX-MRXNPFEDSA-N 2 2 325.481 4.387 20 0 EIADLP Cc1cc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccnc2)ccc1F ZINC000542471561 1042999417 /nfs/dbraw/zinc/99/94/17/1042999417.db2.gz UGYVQWFDLWGSTD-ZVDOUQERSA-N 2 2 341.474 4.081 20 0 EIADLP Cc1cc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2cccnc2)ccc1F ZINC000542471560 1043000214 /nfs/dbraw/zinc/00/02/14/1043000214.db2.gz UGYVQWFDLWGSTD-ZJOUEHCJSA-N 2 2 341.474 4.081 20 0 EIADLP CSc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895113888 1043033784 /nfs/dbraw/zinc/03/37/84/1043033784.db2.gz YSSGSJVDTYNIKH-HDJSIYSDSA-N 2 2 333.526 4.142 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008714 1043078361 /nfs/dbraw/zinc/07/83/61/1043078361.db2.gz FVQUSOPOXFIIHG-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008714 1043078371 /nfs/dbraw/zinc/07/83/71/1043078371.db2.gz FVQUSOPOXFIIHG-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP c1nc(C2CC2)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000494951637 1043092177 /nfs/dbraw/zinc/09/21/77/1043092177.db2.gz OXPOXXKIBAITMF-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CC2)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000494951637 1043092191 /nfs/dbraw/zinc/09/21/91/1043092191.db2.gz OXPOXXKIBAITMF-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cs1 ZINC000427846500 1043225141 /nfs/dbraw/zinc/22/51/41/1043225141.db2.gz SIKABSKWKSZHSL-RISCZKNCSA-N 2 2 344.509 4.042 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2F)s1 ZINC000427877060 1043235508 /nfs/dbraw/zinc/23/55/08/1043235508.db2.gz NMKOSEPUEHNPHZ-KGLIPLIRSA-N 2 2 341.455 4.416 20 0 EIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427866039 1043239903 /nfs/dbraw/zinc/23/99/03/1043239903.db2.gz JRWNERIKWIIESI-RDJZCZTQSA-N 2 2 347.890 4.237 20 0 EIADLP Cc1ccc(C)c([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427880357 1043246871 /nfs/dbraw/zinc/24/68/71/1043246871.db2.gz FFWWPHARDSUHMC-KNQAVFIVSA-N 2 2 331.463 4.194 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000427889402 1043253030 /nfs/dbraw/zinc/25/30/30/1043253030.db2.gz GSEJOYDFIWIBQE-CJNGLKHVSA-N 2 2 341.455 4.416 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC3(CCCCC3)Oc3ccccc31)CC2 ZINC000427893862 1043254612 /nfs/dbraw/zinc/25/46/12/1043254612.db2.gz JSNWEZOBTIWQMI-WMZOPIPTSA-N 2 2 337.467 4.014 20 0 EIADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1C ZINC000347864777 1043256130 /nfs/dbraw/zinc/25/61/30/1043256130.db2.gz LSNIFVSRMYURNX-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1C ZINC000347864777 1043256137 /nfs/dbraw/zinc/25/61/37/1043256137.db2.gz LSNIFVSRMYURNX-SFHVURJKSA-N 2 2 329.513 4.159 20 0 EIADLP FC(F)(F)C1CCC(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000186604525 1043294972 /nfs/dbraw/zinc/29/49/72/1043294972.db2.gz NBFWOYMZJNSVJY-UHFFFAOYSA-N 2 2 337.389 4.331 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000165985375 1043411464 /nfs/dbraw/zinc/41/14/64/1043411464.db2.gz IUGVXLXLOZMACR-FUHWJXTLSA-N 2 2 332.513 4.108 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000165985375 1043411465 /nfs/dbraw/zinc/41/14/65/1043411465.db2.gz IUGVXLXLOZMACR-FUHWJXTLSA-N 2 2 332.513 4.108 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665279543 1043640378 /nfs/dbraw/zinc/64/03/78/1043640378.db2.gz FVEUXVWYLBQFAB-MNQCNDSGSA-N 2 2 332.900 4.027 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000701978444 1043862898 /nfs/dbraw/zinc/86/28/98/1043862898.db2.gz JGEZGOSKRZITSC-LPHOPBHVSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000701978444 1043862899 /nfs/dbraw/zinc/86/28/99/1043862899.db2.gz JGEZGOSKRZITSC-LPHOPBHVSA-N 2 2 329.513 4.014 20 0 EIADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000067182625 1043879052 /nfs/dbraw/zinc/87/90/52/1043879052.db2.gz BDBPZWFKGBEHAO-UHFFFAOYSA-N 2 2 349.356 4.342 20 0 EIADLP Clc1ccsc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000193002406 1043988195 /nfs/dbraw/zinc/98/81/95/1043988195.db2.gz SHIDOBKOVMMKPA-UHFFFAOYSA-N 2 2 334.916 4.198 20 0 EIADLP C[NH2+][C@@H](C)CC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC001117953443 1044226556 /nfs/dbraw/zinc/22/65/56/1044226556.db2.gz HFTPJDOBELKSMH-NSHDSACASA-N 2 2 341.933 4.035 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000474048868 1044305376 /nfs/dbraw/zinc/30/53/76/1044305376.db2.gz UFNVVHKKEZQYFX-IBGZPJMESA-N 2 2 339.483 4.295 20 0 EIADLP CCCn1c2ccccc2nc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000326868827 1044317717 /nfs/dbraw/zinc/31/77/17/1044317717.db2.gz YDFLWRUMKUOYIL-UHFFFAOYSA-N 2 2 342.531 4.191 20 0 EIADLP CCCn1c2ccccc2nc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000326868827 1044317728 /nfs/dbraw/zinc/31/77/28/1044317728.db2.gz YDFLWRUMKUOYIL-UHFFFAOYSA-N 2 2 342.531 4.191 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168018853 1044335412 /nfs/dbraw/zinc/33/54/12/1044335412.db2.gz FUNXSTFNPBQHMD-QRVBRYPASA-N 2 2 337.511 4.482 20 0 EIADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000675725411 1044458482 /nfs/dbraw/zinc/45/84/82/1044458482.db2.gz ZDJBAZSDZWAMQF-LJQANCHMSA-N 2 2 342.870 4.028 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000675922945 1044564618 /nfs/dbraw/zinc/56/46/18/1044564618.db2.gz QTBAIJCRLOKDIP-LQWHRVPQSA-N 2 2 333.479 4.486 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675924122 1044567584 /nfs/dbraw/zinc/56/75/84/1044567584.db2.gz WATFWOWWVHHRRI-NHCUHLMSSA-N 2 2 331.463 4.289 20 0 EIADLP Cc1cccc(COc2c(C)cc(C[NH2+]CCn3cc[nH+]c3)cc2C)c1 ZINC000734506748 1044590798 /nfs/dbraw/zinc/59/07/98/1044590798.db2.gz LWPROUBFJGDJFJ-UHFFFAOYSA-N 2 2 349.478 4.177 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000676236113 1044688446 /nfs/dbraw/zinc/68/84/46/1044688446.db2.gz WIPCCMLFLZXALL-QGZVFWFLSA-N 2 2 333.863 4.129 20 0 EIADLP Fc1cccc2c1SCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000178552103 1044890028 /nfs/dbraw/zinc/89/00/28/1044890028.db2.gz NENCSJIZPLFGGA-MRXNPFEDSA-N 2 2 331.460 4.240 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347913513 1044998917 /nfs/dbraw/zinc/99/89/17/1044998917.db2.gz AEMWYYDXMLOGKU-QZTJIDSGSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000347913513 1044998936 /nfs/dbraw/zinc/99/89/36/1044998936.db2.gz AEMWYYDXMLOGKU-QZTJIDSGSA-N 3 2 340.515 4.096 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccc(C)o1 ZINC000495404417 1045063623 /nfs/dbraw/zinc/06/36/23/1045063623.db2.gz YWBWERKARIHTAT-DBVUQKKJSA-N 2 2 348.531 4.298 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000785484281 1045098277 /nfs/dbraw/zinc/09/82/77/1045098277.db2.gz VAUXSMPBQDGIBE-INIZCTEOSA-N 2 2 331.872 4.209 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777730 1045106537 /nfs/dbraw/zinc/10/65/37/1045106537.db2.gz JDQVHASJEZGXAN-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777730 1045106546 /nfs/dbraw/zinc/10/65/46/1045106546.db2.gz JDQVHASJEZGXAN-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777730 1045106563 /nfs/dbraw/zinc/10/65/63/1045106563.db2.gz JDQVHASJEZGXAN-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777730 1045106574 /nfs/dbraw/zinc/10/65/74/1045106574.db2.gz JDQVHASJEZGXAN-XMSQKQJNSA-N 2 2 337.511 4.129 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311416 1045226198 /nfs/dbraw/zinc/22/61/98/1045226198.db2.gz SLKXUAAAUUIZAT-CRAIPNDOSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311416 1045226210 /nfs/dbraw/zinc/22/62/10/1045226210.db2.gz SLKXUAAAUUIZAT-CRAIPNDOSA-N 2 2 341.524 4.021 20 0 EIADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000393414969 1045472163 /nfs/dbraw/zinc/47/21/63/1045472163.db2.gz IAWBBJOVURFZTG-FQEVSTJZSA-N 2 2 327.447 4.176 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000742388684 1045661744 /nfs/dbraw/zinc/66/17/44/1045661744.db2.gz REXISGHALWUEOL-NRFANRHFSA-N 2 2 342.446 4.042 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432237981 1045696580 /nfs/dbraw/zinc/69/65/80/1045696580.db2.gz AXOFBIKNUDWHNZ-UHFFFAOYSA-N 2 2 333.278 4.343 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](O)c1ccc(C)cc1 ZINC000792233814 1045880241 /nfs/dbraw/zinc/88/02/41/1045880241.db2.gz UWHAVNPWAGIFIT-QFIPXVFZSA-N 2 2 349.478 4.045 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](O)c1ccc(C)cc1 ZINC000792233814 1045880257 /nfs/dbraw/zinc/88/02/57/1045880257.db2.gz UWHAVNPWAGIFIT-QFIPXVFZSA-N 2 2 349.478 4.045 20 0 EIADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001170275313 1045967387 /nfs/dbraw/zinc/96/73/87/1045967387.db2.gz FMADYKGYDOIWIY-OAHLLOKOSA-N 2 2 330.859 4.209 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000508673957 1046067672 /nfs/dbraw/zinc/06/76/72/1046067672.db2.gz AJMHMPSKBAPDOM-CQSZACIVSA-N 2 2 343.858 4.274 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000508673957 1046067690 /nfs/dbraw/zinc/06/76/90/1046067690.db2.gz AJMHMPSKBAPDOM-CQSZACIVSA-N 2 2 343.858 4.274 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000769871195 1046099027 /nfs/dbraw/zinc/09/90/27/1046099027.db2.gz DAVRMRXHUPJODJ-HZPDHXFCSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000769871195 1046099016 /nfs/dbraw/zinc/09/90/16/1046099016.db2.gz DAVRMRXHUPJODJ-HZPDHXFCSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000769875274 1046103306 /nfs/dbraw/zinc/10/33/06/1046103306.db2.gz OSUGVTOBJGNTFE-ZUEVXXBESA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000769875274 1046103310 /nfs/dbraw/zinc/10/33/10/1046103310.db2.gz OSUGVTOBJGNTFE-ZUEVXXBESA-N 2 2 347.528 4.341 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261724558 1046139741 /nfs/dbraw/zinc/13/97/41/1046139741.db2.gz NTTDESOSPXZYMO-LJQANCHMSA-N 2 2 329.513 4.104 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261724558 1046139757 /nfs/dbraw/zinc/13/97/57/1046139757.db2.gz NTTDESOSPXZYMO-LJQANCHMSA-N 2 2 329.513 4.104 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508691511 1046324218 /nfs/dbraw/zinc/32/42/18/1046324218.db2.gz NDWMYMGCXQOYFM-INIZCTEOSA-N 2 2 331.891 4.145 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508691511 1046324231 /nfs/dbraw/zinc/32/42/31/1046324231.db2.gz NDWMYMGCXQOYFM-INIZCTEOSA-N 2 2 331.891 4.145 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000126485332 1046487611 /nfs/dbraw/zinc/48/76/11/1046487611.db2.gz YBWZDXWISWXQHQ-GOSISDBHSA-N 2 2 334.891 4.079 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000509695852 1046572475 /nfs/dbraw/zinc/57/24/75/1046572475.db2.gz HSONGCUTIRSDTG-HNNXBMFYSA-N 2 2 326.406 4.013 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000509695852 1046572482 /nfs/dbraw/zinc/57/24/82/1046572482.db2.gz HSONGCUTIRSDTG-HNNXBMFYSA-N 2 2 326.406 4.013 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459419666 1046618060 /nfs/dbraw/zinc/61/80/60/1046618060.db2.gz GXZLMRUQPDQIBS-XLIONFOSSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000459419666 1046618076 /nfs/dbraw/zinc/61/80/76/1046618076.db2.gz GXZLMRUQPDQIBS-XLIONFOSSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459419045 1046619304 /nfs/dbraw/zinc/61/93/04/1046619304.db2.gz GXZLMRUQPDQIBS-FXAWDEMLSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000459419045 1046619311 /nfs/dbraw/zinc/61/93/11/1046619311.db2.gz GXZLMRUQPDQIBS-FXAWDEMLSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660453 1046624783 /nfs/dbraw/zinc/62/47/83/1046624783.db2.gz JLHURVKJVFWVNR-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660453 1046624793 /nfs/dbraw/zinc/62/47/93/1046624793.db2.gz JLHURVKJVFWVNR-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660453 1046624811 /nfs/dbraw/zinc/62/48/11/1046624811.db2.gz JLHURVKJVFWVNR-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660453 1046624821 /nfs/dbraw/zinc/62/48/21/1046624821.db2.gz JLHURVKJVFWVNR-MJGOQNOKSA-N 2 2 348.531 4.035 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C)ccc1OC ZINC000772444720 1046639323 /nfs/dbraw/zinc/63/93/23/1046639323.db2.gz MXYLTPAHTVCTGR-IEBWSBKVSA-N 2 2 329.488 4.356 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000785537153 1046704466 /nfs/dbraw/zinc/70/44/66/1046704466.db2.gz MIZLRPOUTQKRGC-MRXNPFEDSA-N 2 2 339.405 4.415 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622199 1046715047 /nfs/dbraw/zinc/71/50/47/1046715047.db2.gz GEOHMLPKQHEPCZ-BEFAXECRSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000379622199 1046715064 /nfs/dbraw/zinc/71/50/64/1046715064.db2.gz GEOHMLPKQHEPCZ-BEFAXECRSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770187 1046765766 /nfs/dbraw/zinc/76/57/66/1046765766.db2.gz DDYRUXMOMROAPQ-OAGGEKHMSA-N 2 2 335.561 4.041 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459633412 1046823104 /nfs/dbraw/zinc/82/31/04/1046823104.db2.gz GQJMJHUKBQRXGR-GOSISDBHSA-N 2 2 334.467 4.077 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000536875700 1046837316 /nfs/dbraw/zinc/83/73/16/1046837316.db2.gz ITEVBPMBXHCUAC-TYCQWZJGSA-N 2 2 348.506 4.146 20 0 EIADLP CC(C)CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001170069081 1046923907 /nfs/dbraw/zinc/92/39/07/1046923907.db2.gz LBSDGGGTVBNELO-CZUORRHYSA-N 2 2 327.310 4.253 20 0 EIADLP c1cn(CC[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000537125838 1046951307 /nfs/dbraw/zinc/95/13/07/1046951307.db2.gz ISAMBIJMTYLBMJ-FCHUYYIVSA-N 2 2 331.463 4.334 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000128589156 1046976302 /nfs/dbraw/zinc/97/63/02/1046976302.db2.gz AFFYNEYYLKUDMR-QGZVFWFLSA-N 2 2 348.288 4.434 20 0 EIADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000537254109 1047061311 /nfs/dbraw/zinc/06/13/11/1047061311.db2.gz KIMDJGWUFMHYII-WMLDXEAASA-N 2 2 337.389 4.375 20 0 EIADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000537254109 1047061327 /nfs/dbraw/zinc/06/13/27/1047061327.db2.gz KIMDJGWUFMHYII-WMLDXEAASA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000537254108 1047061961 /nfs/dbraw/zinc/06/19/61/1047061961.db2.gz KIMDJGWUFMHYII-RHSMWYFYSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000537254108 1047061977 /nfs/dbraw/zinc/06/19/77/1047061977.db2.gz KIMDJGWUFMHYII-RHSMWYFYSA-N 2 2 337.389 4.375 20 0 EIADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000537297112 1047078095 /nfs/dbraw/zinc/07/80/95/1047078095.db2.gz OWUPBEDYEURLNM-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000537297063 1047079134 /nfs/dbraw/zinc/07/91/34/1047079134.db2.gz NFKANLDUZYKFNR-HNNXBMFYSA-N 2 2 337.467 4.421 20 0 EIADLP Clc1ccc2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000788607760 1047245476 /nfs/dbraw/zinc/24/54/76/1047245476.db2.gz CPDFMNGXQRXYPU-KRWDZBQOSA-N 2 2 333.907 4.109 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170103869 1047407075 /nfs/dbraw/zinc/40/70/75/1047407075.db2.gz HQNQNIXAJYYNEL-XMSQKQJNSA-N 2 2 334.507 4.486 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000556598241 1047834582 /nfs/dbraw/zinc/83/45/82/1047834582.db2.gz IWCZBWCXMXAXIZ-CJNGLKHVSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000556598241 1047834583 /nfs/dbraw/zinc/83/45/83/1047834583.db2.gz IWCZBWCXMXAXIZ-CJNGLKHVSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598241 1047834584 /nfs/dbraw/zinc/83/45/84/1047834584.db2.gz IWCZBWCXMXAXIZ-CJNGLKHVSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598241 1047834585 /nfs/dbraw/zinc/83/45/85/1047834585.db2.gz IWCZBWCXMXAXIZ-CJNGLKHVSA-N 2 2 349.931 4.378 20 0 EIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170729745 1047862870 /nfs/dbraw/zinc/86/28/70/1047862870.db2.gz GEDRYAJXZUNKQZ-OWZKRDHZSA-N 2 2 330.491 4.123 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CC2 ZINC000766191266 1048083118 /nfs/dbraw/zinc/08/31/18/1048083118.db2.gz METOSOKTHJNZEO-HSZRJFAPSA-N 2 2 349.522 4.307 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499058768 1048119360 /nfs/dbraw/zinc/11/93/60/1048119360.db2.gz YRAIHAOOJGYAAA-UHFFFAOYSA-N 2 2 337.389 4.347 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499058768 1048119368 /nfs/dbraw/zinc/11/93/68/1048119368.db2.gz YRAIHAOOJGYAAA-UHFFFAOYSA-N 2 2 337.389 4.347 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000499071657 1048163669 /nfs/dbraw/zinc/16/36/69/1048163669.db2.gz VPTNOCDNSBUQME-KRWDZBQOSA-N 2 2 335.451 4.252 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000499071657 1048163677 /nfs/dbraw/zinc/16/36/77/1048163677.db2.gz VPTNOCDNSBUQME-KRWDZBQOSA-N 2 2 335.451 4.252 20 0 EIADLP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579648 1048407892 /nfs/dbraw/zinc/40/78/92/1048407892.db2.gz DRCLSRSRNGKSPM-UZLBHIALSA-N 2 2 343.540 4.486 20 0 EIADLP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579648 1048407896 /nfs/dbraw/zinc/40/78/96/1048407896.db2.gz DRCLSRSRNGKSPM-UZLBHIALSA-N 2 2 343.540 4.486 20 0 EIADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558464 1048414109 /nfs/dbraw/zinc/41/41/09/1048414109.db2.gz OQJKBSVDMXULII-RBUKOAKNSA-N 2 2 343.540 4.363 20 0 EIADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558464 1048414114 /nfs/dbraw/zinc/41/41/14/1048414114.db2.gz OQJKBSVDMXULII-RBUKOAKNSA-N 2 2 343.540 4.363 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC000809588295 1048425385 /nfs/dbraw/zinc/42/53/85/1048425385.db2.gz YHTDPQJXZVKYMB-FQEVSTJZSA-N 2 2 343.540 4.050 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)s1 ZINC000809588295 1048425391 /nfs/dbraw/zinc/42/53/91/1048425391.db2.gz YHTDPQJXZVKYMB-FQEVSTJZSA-N 2 2 343.540 4.050 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170593780 1048594525 /nfs/dbraw/zinc/59/45/25/1048594525.db2.gz VDESTHASZNCNPM-MRXNPFEDSA-N 2 2 330.476 4.027 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170593780 1048594541 /nfs/dbraw/zinc/59/45/41/1048594541.db2.gz VDESTHASZNCNPM-MRXNPFEDSA-N 2 2 330.476 4.027 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170599097 1048653249 /nfs/dbraw/zinc/65/32/49/1048653249.db2.gz LYPRQMIUNOGOEV-IBGZPJMESA-N 2 2 332.536 4.044 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170599097 1048653262 /nfs/dbraw/zinc/65/32/62/1048653262.db2.gz LYPRQMIUNOGOEV-IBGZPJMESA-N 2 2 332.536 4.044 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001170602247 1048733142 /nfs/dbraw/zinc/73/31/42/1048733142.db2.gz XUYZGYBPYORDIH-SFHVURJKSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001170602247 1048733150 /nfs/dbraw/zinc/73/31/50/1048733150.db2.gz XUYZGYBPYORDIH-SFHVURJKSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001170602247 1048733164 /nfs/dbraw/zinc/73/31/64/1048733164.db2.gz XUYZGYBPYORDIH-SFHVURJKSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001170602247 1048733181 /nfs/dbraw/zinc/73/31/81/1048733181.db2.gz XUYZGYBPYORDIH-SFHVURJKSA-N 2 2 349.567 4.073 20 0 EIADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000564330957 1049075911 /nfs/dbraw/zinc/07/59/11/1049075911.db2.gz UWCURCFCGQFDJX-FCHUYYIVSA-N 2 2 349.453 4.496 20 0 EIADLP Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000564330970 1049076847 /nfs/dbraw/zinc/07/68/47/1049076847.db2.gz UWCURCFCGQFDJX-FGZHOGPDSA-N 2 2 349.453 4.496 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171359480 1049508514 /nfs/dbraw/zinc/50/85/14/1049508514.db2.gz DRDSNYNKUIPTRJ-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000812821869 1049585935 /nfs/dbraw/zinc/58/59/35/1049585935.db2.gz RTWYSCSTCMOVJX-HSZRJFAPSA-N 2 2 349.522 4.389 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000812835361 1049604719 /nfs/dbraw/zinc/60/47/19/1049604719.db2.gz QNZWJSKQQPRDJR-FGZHOGPDSA-N 2 2 341.543 4.280 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716696065 1049701359 /nfs/dbraw/zinc/70/13/59/1049701359.db2.gz BIBKEYPUCHNRGJ-BVBHFADKSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716696065 1049701375 /nfs/dbraw/zinc/70/13/75/1049701375.db2.gz BIBKEYPUCHNRGJ-BVBHFADKSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716696068 1049701980 /nfs/dbraw/zinc/70/19/80/1049701980.db2.gz BIBKEYPUCHNRGJ-WNHJNPCNSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716696068 1049701991 /nfs/dbraw/zinc/70/19/91/1049701991.db2.gz BIBKEYPUCHNRGJ-WNHJNPCNSA-N 2 2 341.524 4.155 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171010077 1049828723 /nfs/dbraw/zinc/82/87/23/1049828723.db2.gz KOKSVYVXQGWFKN-IBGZPJMESA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171010077 1049828726 /nfs/dbraw/zinc/82/87/26/1049828726.db2.gz KOKSVYVXQGWFKN-IBGZPJMESA-N 2 2 330.491 4.022 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989135 1049832018 /nfs/dbraw/zinc/83/20/18/1049832018.db2.gz YOLXAOKKUJOJSD-NRFANRHFSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989135 1049832019 /nfs/dbraw/zinc/83/20/19/1049832019.db2.gz YOLXAOKKUJOJSD-NRFANRHFSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989135 1049832024 /nfs/dbraw/zinc/83/20/24/1049832024.db2.gz YOLXAOKKUJOJSD-NRFANRHFSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989135 1049832026 /nfs/dbraw/zinc/83/20/26/1049832026.db2.gz YOLXAOKKUJOJSD-NRFANRHFSA-N 2 2 335.495 4.149 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1csc(-c3cccc(F)c3)n1)C2 ZINC001172111479 1049858059 /nfs/dbraw/zinc/85/80/59/1049858059.db2.gz UUBHYBPEDJDDDU-VBUUOAMHSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1csc(-c3cccc(F)c3)n1)C2 ZINC001172111479 1049858061 /nfs/dbraw/zinc/85/80/61/1049858061.db2.gz UUBHYBPEDJDDDU-VBUUOAMHSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1csc(-c3cccc(F)c3)n1)C2 ZINC001172111481 1049859171 /nfs/dbraw/zinc/85/91/71/1049859171.db2.gz UUBHYBPEDJDDDU-XGWQRUHWSA-N 2 2 345.487 4.054 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1csc(-c3cccc(F)c3)n1)C2 ZINC001172111481 1049859172 /nfs/dbraw/zinc/85/91/72/1049859172.db2.gz UUBHYBPEDJDDDU-XGWQRUHWSA-N 2 2 345.487 4.054 20 0 EIADLP Fc1c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)ccnc1Cl ZINC000823747578 1049873337 /nfs/dbraw/zinc/87/33/37/1049873337.db2.gz FUVXUFDJZQSUJY-UHFFFAOYSA-N 2 2 339.886 4.008 20 0 EIADLP Cc1ccc(N([C@H]2CC[C@@H](c3ccccc3)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001172565953 1049935409 /nfs/dbraw/zinc/93/54/09/1049935409.db2.gz QTIAIQIRZXCZNA-CTNGQTDRSA-N 2 2 335.495 4.285 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCOc1cc[nH+]cc1 ZINC001172570511 1049939247 /nfs/dbraw/zinc/93/92/47/1049939247.db2.gz ISKNGLCDDJQYFQ-GFCCVEGCSA-N 2 2 340.801 4.003 20 0 EIADLP c1ccc([C@@H]2CCC[C@@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C2)cc1 ZINC001172548780 1049947884 /nfs/dbraw/zinc/94/78/84/1049947884.db2.gz IPFMTNSBBSJPFQ-TZIWHRDSSA-N 2 2 335.495 4.366 20 0 EIADLP CC1(C)CC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC(C)(C)O1 ZINC001172651290 1049956467 /nfs/dbraw/zinc/95/64/67/1049956467.db2.gz YOSNQLXTLLJURL-IBGZPJMESA-N 2 2 344.543 4.019 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248545342 1050063938 /nfs/dbraw/zinc/06/39/38/1050063938.db2.gz DHQXAHPTZDNPBA-PMPSAXMXSA-N 2 2 327.472 4.131 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248545342 1050063945 /nfs/dbraw/zinc/06/39/45/1050063945.db2.gz DHQXAHPTZDNPBA-PMPSAXMXSA-N 2 2 327.472 4.131 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172842241 1050181161 /nfs/dbraw/zinc/18/11/61/1050181161.db2.gz JMYBMHFEEMCZFP-JOCHJYFZSA-N 2 2 331.463 4.170 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172842241 1050181179 /nfs/dbraw/zinc/18/11/79/1050181179.db2.gz JMYBMHFEEMCZFP-JOCHJYFZSA-N 2 2 331.463 4.170 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172845971 1050183829 /nfs/dbraw/zinc/18/38/29/1050183829.db2.gz QNOUVHRPZZDDGQ-AWEZNQCLSA-N 2 2 343.833 4.386 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001212690576 1050203449 /nfs/dbraw/zinc/20/34/49/1050203449.db2.gz OVFLIGDDEDHDQV-UHFFFAOYSA-N 2 2 346.478 4.484 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172881418 1050222521 /nfs/dbraw/zinc/22/25/21/1050222521.db2.gz GMNMHRWTGGHWSX-KGLIPLIRSA-N 2 2 335.904 4.357 20 0 EIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000091283958 1050248123 /nfs/dbraw/zinc/24/81/23/1050248123.db2.gz LBQCDTUSCCXMQD-QFIPXVFZSA-N 2 2 331.463 4.481 20 0 EIADLP c1cn(Cc2ccc(Nc3ccccc3C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001212696921 1050263989 /nfs/dbraw/zinc/26/39/89/1050263989.db2.gz VEKYEJOAKRGYRU-UHFFFAOYSA-N 2 2 332.451 4.271 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC2(CCOCC2)CC1 ZINC001173050892 1050272407 /nfs/dbraw/zinc/27/24/07/1050272407.db2.gz DWIQVTAFUXPHEK-UHFFFAOYSA-N 2 2 339.483 4.044 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC2(CCOCC2)CC1 ZINC001173050892 1050272414 /nfs/dbraw/zinc/27/24/14/1050272414.db2.gz DWIQVTAFUXPHEK-UHFFFAOYSA-N 2 2 339.483 4.044 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2c(s1)CCCC2 ZINC000091733361 1050279211 /nfs/dbraw/zinc/27/92/11/1050279211.db2.gz SFCJAGKGBZCZFU-AWEZNQCLSA-N 2 2 333.545 4.080 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(F)c1 ZINC001177874862 1050309081 /nfs/dbraw/zinc/30/90/81/1050309081.db2.gz APSLZGMZNJPTIK-KRWDZBQOSA-N 2 2 326.459 4.449 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001177844422 1050315325 /nfs/dbraw/zinc/31/53/25/1050315325.db2.gz PSCACYZOWJCXPH-RBUKOAKNSA-N 2 2 336.589 4.320 20 0 EIADLP Cc1ccccc1[C@H]([C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001186381670 1050316157 /nfs/dbraw/zinc/31/61/57/1050316157.db2.gz XGSXJQNKPYGFOQ-QRWLVFNGSA-N 2 2 338.499 4.076 20 0 EIADLP CCO[C@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943701 1050342686 /nfs/dbraw/zinc/34/26/86/1050342686.db2.gz TXVHBDGLTWCIHF-VQTJNVASSA-N 2 2 332.532 4.080 20 0 EIADLP CCO[C@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943701 1050342697 /nfs/dbraw/zinc/34/26/97/1050342697.db2.gz TXVHBDGLTWCIHF-VQTJNVASSA-N 2 2 332.532 4.080 20 0 EIADLP Fc1cccc(Cl)c1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177977188 1050359472 /nfs/dbraw/zinc/35/94/72/1050359472.db2.gz TUHLHFMQRIIKGF-UHFFFAOYSA-N 2 2 335.835 4.059 20 0 EIADLP CCc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)cc1 ZINC001173241596 1050396149 /nfs/dbraw/zinc/39/61/49/1050396149.db2.gz OLIXXOAAXWYPHG-QGZVFWFLSA-N 2 2 340.486 4.269 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001173549993 1050485211 /nfs/dbraw/zinc/48/52/11/1050485211.db2.gz JWDPEYQBUFYKHA-BBRMVZONSA-N 2 2 341.326 4.388 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001173549993 1050485221 /nfs/dbraw/zinc/48/52/21/1050485221.db2.gz JWDPEYQBUFYKHA-BBRMVZONSA-N 2 2 341.326 4.388 20 0 EIADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)CCc1ccc(Cl)c(Cl)c1)C2 ZINC001173549351 1050485293 /nfs/dbraw/zinc/48/52/93/1050485293.db2.gz GMDPGULQKHJYTJ-LBPRGKRZSA-N 2 2 338.282 4.335 20 0 EIADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)CCc1ccc(Cl)c(Cl)c1)C2 ZINC001173549351 1050485301 /nfs/dbraw/zinc/48/53/01/1050485301.db2.gz GMDPGULQKHJYTJ-LBPRGKRZSA-N 2 2 338.282 4.335 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2ncccc12)C1CC1 ZINC001178537723 1050494824 /nfs/dbraw/zinc/49/48/24/1050494824.db2.gz SVKSIZBGOLHSAQ-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2ncccc12)C1CC1 ZINC001178537723 1050494835 /nfs/dbraw/zinc/49/48/35/1050494835.db2.gz SVKSIZBGOLHSAQ-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000182186572 1050519576 /nfs/dbraw/zinc/51/95/76/1050519576.db2.gz VWDJFTNVBDUSIH-INIZCTEOSA-N 2 2 337.439 4.255 20 0 EIADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCC1 ZINC001178713571 1050537280 /nfs/dbraw/zinc/53/72/80/1050537280.db2.gz VBQIJVATQSTZEP-NRFANRHFSA-N 2 2 329.532 4.280 20 0 EIADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC1CCC(C)(C)CC1 ZINC001178949027 1050594757 /nfs/dbraw/zinc/59/47/57/1050594757.db2.gz CGIUHYWVZUEIJN-UHFFFAOYSA-N 2 2 334.504 4.264 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000093604622 1050639893 /nfs/dbraw/zinc/63/98/93/1050639893.db2.gz DJIQEVDJXKTZQV-QGZVFWFLSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000093604622 1050639910 /nfs/dbraw/zinc/63/99/10/1050639910.db2.gz DJIQEVDJXKTZQV-QGZVFWFLSA-N 2 2 341.524 4.036 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639307 1050648792 /nfs/dbraw/zinc/64/87/92/1050648792.db2.gz XOICAUXEWHXHJJ-HIFRSBDPSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639307 1050648802 /nfs/dbraw/zinc/64/88/02/1050648802.db2.gz XOICAUXEWHXHJJ-HIFRSBDPSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639307 1050648810 /nfs/dbraw/zinc/64/88/10/1050648810.db2.gz XOICAUXEWHXHJJ-HIFRSBDPSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639307 1050648815 /nfs/dbraw/zinc/64/88/15/1050648815.db2.gz XOICAUXEWHXHJJ-HIFRSBDPSA-N 2 2 335.542 4.034 20 0 EIADLP C[NH+](C)Cc1ccccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001173927720 1050650328 /nfs/dbraw/zinc/65/03/28/1050650328.db2.gz OUWUKFYNZCZLOV-UHFFFAOYSA-N 2 2 342.443 4.234 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660051 1050653372 /nfs/dbraw/zinc/65/33/72/1050653372.db2.gz REJPAYMWIRNCKS-HNNXBMFYSA-N 2 2 335.542 4.178 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660051 1050653382 /nfs/dbraw/zinc/65/33/82/1050653382.db2.gz REJPAYMWIRNCKS-HNNXBMFYSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660051 1050653387 /nfs/dbraw/zinc/65/33/87/1050653387.db2.gz REJPAYMWIRNCKS-HNNXBMFYSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660051 1050653397 /nfs/dbraw/zinc/65/33/97/1050653397.db2.gz REJPAYMWIRNCKS-HNNXBMFYSA-N 2 2 335.542 4.178 20 0 EIADLP Cc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785136 1050777527 /nfs/dbraw/zinc/77/75/27/1050777527.db2.gz WLAKDQRAUJMXPW-ICSRJNTNSA-N 2 2 335.495 4.238 20 0 EIADLP Cc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785136 1050777547 /nfs/dbraw/zinc/77/75/47/1050777547.db2.gz WLAKDQRAUJMXPW-ICSRJNTNSA-N 2 2 335.495 4.238 20 0 EIADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152807132 1050860087 /nfs/dbraw/zinc/86/00/87/1050860087.db2.gz RIFXZMXXDGVXJD-HXUWFJFHSA-N 2 2 325.500 4.009 20 0 EIADLP c1cn(-c2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2)c[nH+]1 ZINC001174397054 1050914139 /nfs/dbraw/zinc/91/41/39/1050914139.db2.gz LQBHIJWHKUVYSV-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2)c[nH+]1 ZINC001174397054 1050914162 /nfs/dbraw/zinc/91/41/62/1050914162.db2.gz LQBHIJWHKUVYSV-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP CC[NH+](CC)c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446721 1050977361 /nfs/dbraw/zinc/97/73/61/1050977361.db2.gz SGAMECAAVGDZOY-UHFFFAOYSA-N 2 2 339.483 4.109 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@H+](Cc2ccccc2)C1 ZINC001181196355 1051177001 /nfs/dbraw/zinc/17/70/01/1051177001.db2.gz MSBHSWGAVDAQHX-WIYYLYMNSA-N 2 2 347.506 4.211 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@@H+](Cc2ccccc2)C1 ZINC001181196355 1051177010 /nfs/dbraw/zinc/17/70/10/1051177010.db2.gz MSBHSWGAVDAQHX-WIYYLYMNSA-N 2 2 347.506 4.211 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cccs1 ZINC000153917254 1051246730 /nfs/dbraw/zinc/24/67/30/1051246730.db2.gz KVYWEWSIDCLBLB-IAGOWNOFSA-N 2 2 344.524 4.299 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC001191220788 1051398497 /nfs/dbraw/zinc/39/84/97/1051398497.db2.gz BZXDSXNJDPFYGM-GCJKJVERSA-N 2 2 331.463 4.498 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC001191220788 1051398504 /nfs/dbraw/zinc/39/85/04/1051398504.db2.gz BZXDSXNJDPFYGM-GCJKJVERSA-N 2 2 331.463 4.498 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001175700431 1051707917 /nfs/dbraw/zinc/70/79/17/1051707917.db2.gz YFSHHYJJAYEUDA-GOSISDBHSA-N 2 2 329.513 4.144 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC001175700431 1051707929 /nfs/dbraw/zinc/70/79/29/1051707929.db2.gz YFSHHYJJAYEUDA-GOSISDBHSA-N 2 2 329.513 4.144 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182844129 1051714291 /nfs/dbraw/zinc/71/42/91/1051714291.db2.gz JMFMKUVDJJWAIA-BBRMVZONSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182844129 1051714302 /nfs/dbraw/zinc/71/43/02/1051714302.db2.gz JMFMKUVDJJWAIA-BBRMVZONSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001206550060 1051757697 /nfs/dbraw/zinc/75/76/97/1051757697.db2.gz UMTOOMKURDMAEJ-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001206550060 1051757710 /nfs/dbraw/zinc/75/77/10/1051757710.db2.gz UMTOOMKURDMAEJ-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000159066784 1051807583 /nfs/dbraw/zinc/80/75/83/1051807583.db2.gz SNTCINZKIYBHCS-CYBMUJFWSA-N 2 2 345.314 4.145 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC001183238841 1051810213 /nfs/dbraw/zinc/81/02/13/1051810213.db2.gz QHTAXWFXPAHODJ-AATRIKPKSA-N 2 2 334.454 4.318 20 0 EIADLP C[C@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)[NH+]1CCCCC1 ZINC000184341523 1051910840 /nfs/dbraw/zinc/91/08/40/1051910840.db2.gz OVSLRHCJDXNDQE-CYBMUJFWSA-N 2 2 332.460 4.090 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183863592 1051918453 /nfs/dbraw/zinc/91/84/53/1051918453.db2.gz DVJINJSSSCEAMJ-UHFFFAOYSA-N 2 2 349.400 4.263 20 0 EIADLP Cc1nsc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001193743702 1051979573 /nfs/dbraw/zinc/97/95/73/1051979573.db2.gz RIEWNJAYCNHVOM-IBGZPJMESA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nsc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001193743702 1051979583 /nfs/dbraw/zinc/97/95/83/1051979583.db2.gz RIEWNJAYCNHVOM-IBGZPJMESA-N 2 2 343.540 4.150 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC001184373945 1051999217 /nfs/dbraw/zinc/99/92/17/1051999217.db2.gz HBHITQVWGCVOSL-HNNXBMFYSA-N 2 2 344.528 4.352 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC001184373945 1051999229 /nfs/dbraw/zinc/99/92/29/1051999229.db2.gz HBHITQVWGCVOSL-HNNXBMFYSA-N 2 2 344.528 4.352 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC001176978875 1052214816 /nfs/dbraw/zinc/21/48/16/1052214816.db2.gz XNSONVONHRMKRL-UHFFFAOYSA-N 2 2 329.831 4.199 20 0 EIADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)n1 ZINC001176992052 1052215282 /nfs/dbraw/zinc/21/52/82/1052215282.db2.gz WQPXONPDGVKDIM-SFHVURJKSA-N 2 2 340.515 4.338 20 0 EIADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)n1 ZINC001176992052 1052215291 /nfs/dbraw/zinc/21/52/91/1052215291.db2.gz WQPXONPDGVKDIM-SFHVURJKSA-N 2 2 340.515 4.338 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)CC1 ZINC001177086517 1052227550 /nfs/dbraw/zinc/22/75/50/1052227550.db2.gz KJDIMFBVEJYETA-UHFFFAOYSA-N 2 2 345.314 4.355 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340073 1052627951 /nfs/dbraw/zinc/62/79/51/1052627951.db2.gz WKTZUHBFRMBSAK-PZJWPPBQSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340073 1052627953 /nfs/dbraw/zinc/62/79/53/1052627953.db2.gz WKTZUHBFRMBSAK-PZJWPPBQSA-N 2 2 338.495 4.247 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481223 1052663331 /nfs/dbraw/zinc/66/33/31/1052663331.db2.gz UMKZYTPKKWDJMS-LSDHHAIUSA-N 2 2 332.385 4.282 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481223 1052663333 /nfs/dbraw/zinc/66/33/33/1052663333.db2.gz UMKZYTPKKWDJMS-LSDHHAIUSA-N 2 2 332.385 4.282 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCC2 ZINC000177933787 1052694428 /nfs/dbraw/zinc/69/44/28/1052694428.db2.gz IRJMXHYCEYLJOH-QGZVFWFLSA-N 2 2 331.463 4.271 20 0 EIADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623879343 1052828241 /nfs/dbraw/zinc/82/82/41/1052828241.db2.gz DQKIQXHFZULWFK-MSOLQXFVSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623879343 1052828244 /nfs/dbraw/zinc/82/82/44/1052828244.db2.gz DQKIQXHFZULWFK-MSOLQXFVSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623879346 1052828393 /nfs/dbraw/zinc/82/83/93/1052828393.db2.gz DQKIQXHFZULWFK-ZWKOTPCHSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623879346 1052828395 /nfs/dbraw/zinc/82/83/95/1052828395.db2.gz DQKIQXHFZULWFK-ZWKOTPCHSA-N 2 2 341.524 4.022 20 0 EIADLP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000623870347 1052830905 /nfs/dbraw/zinc/83/09/05/1052830905.db2.gz XBLDATLNSFCRQN-AWEZNQCLSA-N 2 2 336.277 4.085 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120535 1052867873 /nfs/dbraw/zinc/86/78/73/1052867873.db2.gz BIZZSDGIBUNVTL-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120535 1052867876 /nfs/dbraw/zinc/86/78/76/1052867876.db2.gz BIZZSDGIBUNVTL-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000182352705 1052928028 /nfs/dbraw/zinc/92/80/28/1052928028.db2.gz GMJSVOGVFIMSMB-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP Clc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000073381186 1052935089 /nfs/dbraw/zinc/93/50/89/1052935089.db2.gz ZTQDSWLOTPYCAP-UHFFFAOYSA-N 2 2 330.859 4.316 20 0 EIADLP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000764570015 1053191267 /nfs/dbraw/zinc/19/12/67/1053191267.db2.gz AUWOKBYWSJGUGF-DYVFJYSZSA-N 2 2 338.480 4.365 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000764639626 1053245401 /nfs/dbraw/zinc/24/54/01/1053245401.db2.gz QVCBPZCHCNOLPA-OAHLLOKOSA-N 2 2 343.298 4.281 20 0 EIADLP CCC(CC)[N@H+](C[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001202513171 1053257224 /nfs/dbraw/zinc/25/72/24/1053257224.db2.gz OBQVFNDTMLALQY-HXUWFJFHSA-N 2 2 344.543 4.178 20 0 EIADLP CCC(CC)[N@@H+](C[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001202513171 1053257249 /nfs/dbraw/zinc/25/72/49/1053257249.db2.gz OBQVFNDTMLALQY-HXUWFJFHSA-N 2 2 344.543 4.178 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250358 1053475598 /nfs/dbraw/zinc/47/55/98/1053475598.db2.gz LETKIZGEVAYEDP-MDZRGWNJSA-N 2 2 329.488 4.088 20 0 EIADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765347983 1053512272 /nfs/dbraw/zinc/51/22/72/1053512272.db2.gz IDHQXZSQUJDSRC-IRXDYDNUSA-N 2 2 329.532 4.136 20 0 EIADLP c1ccc(CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccn2)cc1 ZINC000866350763 1053699495 /nfs/dbraw/zinc/69/94/95/1053699495.db2.gz ILOOEHSASGOJQR-BBHUYCHWSA-N 2 2 349.522 4.362 20 0 EIADLP [NH3+]CC[C@H]1CN(c2cc(OCc3ccccc3)cc[nH+]2)c2ccccc21 ZINC001168545463 1053727985 /nfs/dbraw/zinc/72/79/85/1053727985.db2.gz OXHCWVYKOSXQSJ-SFHVURJKSA-N 2 2 345.446 4.245 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001197357716 1053881956 /nfs/dbraw/zinc/88/19/56/1053881956.db2.gz CHPYATWOFABHQZ-UHFFFAOYSA-N 2 2 337.511 4.465 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197376498 1053898243 /nfs/dbraw/zinc/89/82/43/1053898243.db2.gz DXPZOWVKZRIOLN-UONOGXRCSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197376498 1053898245 /nfs/dbraw/zinc/89/82/45/1053898245.db2.gz DXPZOWVKZRIOLN-UONOGXRCSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122339619 1053945617 /nfs/dbraw/zinc/94/56/17/1053945617.db2.gz JBJWVZBFMAKFED-INIZCTEOSA-N 2 2 349.588 4.231 20 0 EIADLP CSc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000173334913 1054063313 /nfs/dbraw/zinc/06/33/13/1054063313.db2.gz WNWMHQGSDGCYDP-AWEZNQCLSA-N 2 2 338.480 4.148 20 0 EIADLP CCc1[nH]c(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC001203243500 1054126127 /nfs/dbraw/zinc/12/61/27/1054126127.db2.gz LLPWZFBJWJSHCH-QFIPXVFZSA-N 2 2 331.463 4.428 20 0 EIADLP CCc1[nH]c(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC001203243500 1054126130 /nfs/dbraw/zinc/12/61/30/1054126130.db2.gz LLPWZFBJWJSHCH-QFIPXVFZSA-N 2 2 331.463 4.428 20 0 EIADLP CCC[N@H+](Cc1cncc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198632733 1054213139 /nfs/dbraw/zinc/21/31/39/1054213139.db2.gz KFCDVRKWMVPIEP-UHFFFAOYSA-N 2 2 341.474 4.097 20 0 EIADLP CCC[N@@H+](Cc1cncc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198632733 1054213157 /nfs/dbraw/zinc/21/31/57/1054213157.db2.gz KFCDVRKWMVPIEP-UHFFFAOYSA-N 2 2 341.474 4.097 20 0 EIADLP CCC[N@H+](C[C@@H](OC)C1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641155 1054214553 /nfs/dbraw/zinc/21/45/53/1054214553.db2.gz NFVHSENJYDYGAV-JOCHJYFZSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@@H](OC)C1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641155 1054214566 /nfs/dbraw/zinc/21/45/66/1054214566.db2.gz NFVHSENJYDYGAV-JOCHJYFZSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790754 1054252750 /nfs/dbraw/zinc/25/27/50/1054252750.db2.gz NYKJWKAWXMZHRZ-DLBZAZTESA-N 2 2 347.547 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790754 1054252757 /nfs/dbraw/zinc/25/27/57/1054252757.db2.gz NYKJWKAWXMZHRZ-DLBZAZTESA-N 2 2 347.547 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC001198789912 1054252969 /nfs/dbraw/zinc/25/29/69/1054252969.db2.gz ARKDUICVJRHDGT-CQSZACIVSA-N 2 2 332.879 4.066 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC001198789912 1054252988 /nfs/dbraw/zinc/25/29/88/1054252988.db2.gz ARKDUICVJRHDGT-CQSZACIVSA-N 2 2 332.879 4.066 20 0 EIADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001199392529 1054396540 /nfs/dbraw/zinc/39/65/40/1054396540.db2.gz UKOWDNDZNUYVBT-SIKLNZKXSA-N 2 2 344.543 4.213 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001199608510 1054431662 /nfs/dbraw/zinc/43/16/62/1054431662.db2.gz IZSDLKYXDFRIAK-QGZVFWFLSA-N 2 2 335.879 4.140 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201485505 1054813214 /nfs/dbraw/zinc/81/32/14/1054813214.db2.gz IELXSOJTOBLFDD-SFHVURJKSA-N 2 2 346.563 4.266 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201485505 1054813219 /nfs/dbraw/zinc/81/32/19/1054813219.db2.gz IELXSOJTOBLFDD-SFHVURJKSA-N 2 2 346.563 4.266 20 0 EIADLP CCC(CC)[C@@H](CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559317 1054848685 /nfs/dbraw/zinc/84/86/85/1054848685.db2.gz XMRICISBDASHHK-LEWJYISDSA-N 2 2 346.559 4.470 20 0 EIADLP CCC(CC)[C@@H](CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559317 1054848686 /nfs/dbraw/zinc/84/86/86/1054848686.db2.gz XMRICISBDASHHK-LEWJYISDSA-N 2 2 346.559 4.470 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877109780 1055018844 /nfs/dbraw/zinc/01/88/44/1055018844.db2.gz GOJIIVDENJMYCV-NSHDSACASA-N 2 2 332.860 4.141 20 0 EIADLP CCCOc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000069676015 1055118550 /nfs/dbraw/zinc/11/85/50/1055118550.db2.gz OEIMOUWCFDTXSI-UHFFFAOYSA-N 2 2 335.451 4.010 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)Cn1cc[nH+]c1 ZINC000126849282 1055176537 /nfs/dbraw/zinc/17/65/37/1055176537.db2.gz YMDHXUPVDLWDQT-CQSZACIVSA-N 2 2 329.831 4.222 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411520 1055297480 /nfs/dbraw/zinc/29/74/80/1055297480.db2.gz LHUJNKKRVBAIKM-OLZOCXBDSA-N 2 2 330.394 4.041 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411520 1055297499 /nfs/dbraw/zinc/29/74/99/1055297499.db2.gz LHUJNKKRVBAIKM-OLZOCXBDSA-N 2 2 330.394 4.041 20 0 EIADLP CN(c1ccccc1)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000616026378 1055313961 /nfs/dbraw/zinc/31/39/61/1055313961.db2.gz AIWSOXZTHHRXRC-UHFFFAOYSA-N 2 2 334.467 4.221 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271356 1058311414 /nfs/dbraw/zinc/31/14/14/1058311414.db2.gz DRGNRWHNQMWNDI-KBPBESRZSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271356 1058311429 /nfs/dbraw/zinc/31/14/29/1058311429.db2.gz DRGNRWHNQMWNDI-KBPBESRZSA-N 2 2 328.472 4.179 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000743479075 1059010118 /nfs/dbraw/zinc/01/01/18/1059010118.db2.gz AGXWHKLFGHRXSP-GOSISDBHSA-N 2 2 337.511 4.381 20 0 EIADLP CCOc1cccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000766303784 1059143807 /nfs/dbraw/zinc/14/38/07/1059143807.db2.gz KINWGBQDNOOROC-UTKZUKDTSA-N 2 2 349.478 4.453 20 0 EIADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327258 1059816285 /nfs/dbraw/zinc/81/62/85/1059816285.db2.gz VUPALZZIARWJAZ-BEFAXECRSA-N 2 2 349.434 4.055 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000191480244 1060188067 /nfs/dbraw/zinc/18/80/67/1060188067.db2.gz XVTXXRPOMIEPID-UHFFFAOYSA-N 2 2 334.533 4.112 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000191480244 1060188097 /nfs/dbraw/zinc/18/80/97/1060188097.db2.gz XVTXXRPOMIEPID-UHFFFAOYSA-N 2 2 334.533 4.112 20 0 EIADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001169050917 1060605237 /nfs/dbraw/zinc/60/52/37/1060605237.db2.gz SBZXAZDNCAFUAJ-HSZRJFAPSA-N 2 2 336.523 4.365 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126237 1060651476 /nfs/dbraw/zinc/65/14/76/1060651476.db2.gz QMQOTFLRJHTZQO-MHORFTMASA-N 2 2 349.316 4.211 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126237 1060651477 /nfs/dbraw/zinc/65/14/77/1060651477.db2.gz QMQOTFLRJHTZQO-MHORFTMASA-N 2 2 349.316 4.211 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126237 1060651480 /nfs/dbraw/zinc/65/14/80/1060651480.db2.gz QMQOTFLRJHTZQO-MHORFTMASA-N 2 2 349.316 4.211 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126237 1060651483 /nfs/dbraw/zinc/65/14/83/1060651483.db2.gz QMQOTFLRJHTZQO-MHORFTMASA-N 2 2 349.316 4.211 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC001169266183 1060714812 /nfs/dbraw/zinc/71/48/12/1060714812.db2.gz SYIKDWNJRPCUJQ-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC001169266183 1060714835 /nfs/dbraw/zinc/71/48/35/1060714835.db2.gz SYIKDWNJRPCUJQ-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP Clc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000121353058 1060844211 /nfs/dbraw/zinc/84/42/11/1060844211.db2.gz PCKRASCAUBPCGF-UHFFFAOYSA-N 2 2 336.266 4.147 20 0 EIADLP CCOc1ccccc1C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000078725168 217108932 /nfs/dbraw/zinc/10/89/32/217108932.db2.gz JQUUJRNZVVAZFX-QGZVFWFLSA-N 2 2 326.484 4.304 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206527 1032073589 /nfs/dbraw/zinc/07/35/89/1032073589.db2.gz VNCKVWWLYCVZJD-YCRPNKLZSA-N 2 2 335.426 4.425 20 0 EIADLP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000459375285 1032096122 /nfs/dbraw/zinc/09/61/22/1032096122.db2.gz YUTPPWMCCJASCD-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226927 1032103495 /nfs/dbraw/zinc/10/34/95/1032103495.db2.gz XPHHWUOXAMHEKG-JQWIXIFHSA-N 2 2 333.328 4.364 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226927 1032103503 /nfs/dbraw/zinc/10/35/03/1032103503.db2.gz XPHHWUOXAMHEKG-JQWIXIFHSA-N 2 2 333.328 4.364 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683607 1032147539 /nfs/dbraw/zinc/14/75/39/1032147539.db2.gz QANNFOXJJRBAFU-QAASUXMZSA-N 2 2 342.527 4.103 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683607 1032147554 /nfs/dbraw/zinc/14/75/54/1032147554.db2.gz QANNFOXJJRBAFU-QAASUXMZSA-N 2 2 342.527 4.103 20 0 EIADLP COc1cccc(C2([NH2+]C3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000360022617 1032232419 /nfs/dbraw/zinc/23/24/19/1032232419.db2.gz YASLSWCVCYAHQE-UHFFFAOYSA-N 2 2 342.508 4.000 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc2ccccc12 ZINC000171933765 1032281537 /nfs/dbraw/zinc/28/15/37/1032281537.db2.gz XRKAGGQXNXZUKK-UHFFFAOYSA-N 2 2 340.858 4.230 20 0 EIADLP c1cn(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c[nH+]1 ZINC000171942424 1032283605 /nfs/dbraw/zinc/28/36/05/1032283605.db2.gz AQWJSCHVJLQKNK-UHFFFAOYSA-N 2 2 347.462 4.299 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000245545490 1032299345 /nfs/dbraw/zinc/29/93/45/1032299345.db2.gz VNILZIOYGUUXGV-IXDOHACOSA-N 2 2 343.540 4.472 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000245545490 1032299357 /nfs/dbraw/zinc/29/93/57/1032299357.db2.gz VNILZIOYGUUXGV-IXDOHACOSA-N 2 2 343.540 4.472 20 0 EIADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760610 1032301215 /nfs/dbraw/zinc/30/12/15/1032301215.db2.gz QRVWJJMUMKRDAH-WBVHZDCISA-N 2 2 329.513 4.308 20 0 EIADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760610 1032301227 /nfs/dbraw/zinc/30/12/27/1032301227.db2.gz QRVWJJMUMKRDAH-WBVHZDCISA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760610 1032301234 /nfs/dbraw/zinc/30/12/34/1032301234.db2.gz QRVWJJMUMKRDAH-WBVHZDCISA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760610 1032301241 /nfs/dbraw/zinc/30/12/41/1032301241.db2.gz QRVWJJMUMKRDAH-WBVHZDCISA-N 2 2 329.513 4.308 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000173316779 1032357142 /nfs/dbraw/zinc/35/71/42/1032357142.db2.gz ZPCUHLLNELJLNQ-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000245705535 1032401447 /nfs/dbraw/zinc/40/14/47/1032401447.db2.gz RXBVXYNUMHVMDJ-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000245705535 1032401451 /nfs/dbraw/zinc/40/14/51/1032401451.db2.gz RXBVXYNUMHVMDJ-BEFAXECRSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C2CC(F)(F)C2)c(C)c1 ZINC000529547312 1032437128 /nfs/dbraw/zinc/43/71/28/1032437128.db2.gz WWYUBYAGDXAGDQ-QAPCUYQASA-N 2 2 333.426 4.265 20 0 EIADLP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3cc(F)c(Cl)cc31)CC2 ZINC000450422129 1032493341 /nfs/dbraw/zinc/49/33/41/1032493341.db2.gz ULRJCPWCNUZKER-UHFFFAOYSA-N 2 2 333.838 4.092 20 0 EIADLP C[N@H+]1CCCC12CCN(c1cc[nH+]c3cc(F)c(Cl)cc31)CC2 ZINC000450422129 1032493354 /nfs/dbraw/zinc/49/33/54/1032493354.db2.gz ULRJCPWCNUZKER-UHFFFAOYSA-N 2 2 333.838 4.092 20 0 EIADLP C[N@H+](CC/C=C/c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450470358 1032517476 /nfs/dbraw/zinc/51/74/76/1032517476.db2.gz RXJYWNYMAPEKTN-IZZDOVSWSA-N 2 2 349.522 4.124 20 0 EIADLP C[N@@H+](CC/C=C/c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450470358 1032517481 /nfs/dbraw/zinc/51/74/81/1032517481.db2.gz RXJYWNYMAPEKTN-IZZDOVSWSA-N 2 2 349.522 4.124 20 0 EIADLP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450490595 1032528719 /nfs/dbraw/zinc/52/87/19/1032528719.db2.gz UBYZASWAAIQFFP-OAHLLOKOSA-N 2 2 337.389 4.174 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000245983098 1032573994 /nfs/dbraw/zinc/57/39/94/1032573994.db2.gz PREZWHYMTNFBLK-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1F ZINC000245983098 1032574009 /nfs/dbraw/zinc/57/40/09/1032574009.db2.gz PREZWHYMTNFBLK-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H](C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891256 1019799981 /nfs/dbraw/zinc/79/99/81/1019799981.db2.gz JCCABBJVUOSMIG-PFPDTZPXSA-N 2 2 342.449 4.080 20 0 EIADLP C[C@@H](C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891256 1019799993 /nfs/dbraw/zinc/79/99/93/1019799993.db2.gz JCCABBJVUOSMIG-PFPDTZPXSA-N 2 2 342.449 4.080 20 0 EIADLP C[C@@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891256 1019800009 /nfs/dbraw/zinc/80/00/09/1019800009.db2.gz JCCABBJVUOSMIG-PFPDTZPXSA-N 2 2 342.449 4.080 20 0 EIADLP C[C@@H](C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)C(F)(F)F ZINC001208891256 1019800015 /nfs/dbraw/zinc/80/00/15/1019800015.db2.gz JCCABBJVUOSMIG-PFPDTZPXSA-N 2 2 342.449 4.080 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000274887449 1019837631 /nfs/dbraw/zinc/83/76/31/1019837631.db2.gz IULVEJFGOUWJGH-OAHLLOKOSA-N 2 2 329.875 4.050 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000274892559 1019840269 /nfs/dbraw/zinc/84/02/69/1019840269.db2.gz JSALVMWAGPBBNE-XYJFISCASA-N 2 2 343.540 4.267 20 0 EIADLP CCc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000274892559 1019840277 /nfs/dbraw/zinc/84/02/77/1019840277.db2.gz JSALVMWAGPBBNE-XYJFISCASA-N 2 2 343.540 4.267 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180013307 1020024601 /nfs/dbraw/zinc/02/46/01/1020024601.db2.gz GSXSHWRTCLBTJD-IBGZPJMESA-N 2 2 332.850 4.252 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000510155286 1020044075 /nfs/dbraw/zinc/04/40/75/1020044075.db2.gz YQYNPSJNTHQLLM-QGOAFFKASA-N 2 2 347.462 4.212 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC3 ZINC000180415202 1020112151 /nfs/dbraw/zinc/11/21/51/1020112151.db2.gz QABCKFMRVHDXPN-KRWDZBQOSA-N 2 2 348.494 4.211 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccncc1F ZINC000340259893 1020695775 /nfs/dbraw/zinc/69/57/75/1020695775.db2.gz QZBRHVMRAXPJAJ-PMUMKWKESA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccncc1F ZINC000340259893 1020695787 /nfs/dbraw/zinc/69/57/87/1020695787.db2.gz QZBRHVMRAXPJAJ-PMUMKWKESA-N 2 2 333.476 4.016 20 0 EIADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000655686427 1020893936 /nfs/dbraw/zinc/89/39/36/1020893936.db2.gz GRWFPMGALZTOTH-OAQYLSRUSA-N 2 2 331.463 4.325 20 0 EIADLP CCCc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694852 1020902183 /nfs/dbraw/zinc/90/21/83/1020902183.db2.gz HOQRJIGRQDLLOY-VXKWHMMOSA-N 2 2 344.543 4.179 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000275598427 1020925966 /nfs/dbraw/zinc/92/59/66/1020925966.db2.gz KEJCRZOKWYDEOR-IRXDYDNUSA-N 2 2 337.389 4.142 20 0 EIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655735996 1020926857 /nfs/dbraw/zinc/92/68/57/1020926857.db2.gz CEKLYMMGPXFFGT-IFMALSPDSA-N 2 2 342.527 4.030 20 0 EIADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302631 1020978799 /nfs/dbraw/zinc/97/87/99/1020978799.db2.gz RMUKCWJRLUXUTJ-QFIPXVFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302631 1020978802 /nfs/dbraw/zinc/97/88/02/1020978802.db2.gz RMUKCWJRLUXUTJ-QFIPXVFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302631 1020978806 /nfs/dbraw/zinc/97/88/06/1020978806.db2.gz RMUKCWJRLUXUTJ-QFIPXVFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCCCC1 ZINC001167302631 1020978810 /nfs/dbraw/zinc/97/88/10/1020978810.db2.gz RMUKCWJRLUXUTJ-QFIPXVFZSA-N 2 2 344.543 4.322 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478325 1021097892 /nfs/dbraw/zinc/09/78/92/1021097892.db2.gz IXEKSDIOGODYNL-HZPDHXFCSA-N 2 2 327.447 4.097 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683691794 1021099454 /nfs/dbraw/zinc/09/94/54/1021099454.db2.gz LBBOPCHPVSTCGI-OSYLJGHBSA-N 2 2 330.859 4.218 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000683691794 1021099464 /nfs/dbraw/zinc/09/94/64/1021099464.db2.gz LBBOPCHPVSTCGI-OSYLJGHBSA-N 2 2 330.859 4.218 20 0 EIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312608741 1021178405 /nfs/dbraw/zinc/17/84/05/1021178405.db2.gz UOLRNOHJTQWVRS-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312608741 1021178409 /nfs/dbraw/zinc/17/84/09/1021178409.db2.gz UOLRNOHJTQWVRS-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000414056407 1021746910 /nfs/dbraw/zinc/74/69/10/1021746910.db2.gz DJPNGWXFDXHZHE-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000414070215 1021788257 /nfs/dbraw/zinc/78/82/57/1021788257.db2.gz SGVMRXVSKULILC-RTBURBONSA-N 2 2 341.499 4.003 20 0 EIADLP Clc1sccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000312750120 1021795846 /nfs/dbraw/zinc/79/58/46/1021795846.db2.gz HASJVZJDLVTZOH-UHFFFAOYSA-N 2 2 334.916 4.198 20 0 EIADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000124937010 1021873153 /nfs/dbraw/zinc/87/31/53/1021873153.db2.gz QFGOXFUROLQGGD-MRXNPFEDSA-N 2 2 346.421 4.141 20 0 EIADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000124937010 1021873155 /nfs/dbraw/zinc/87/31/55/1021873155.db2.gz QFGOXFUROLQGGD-MRXNPFEDSA-N 2 2 346.421 4.141 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414121718 1021883453 /nfs/dbraw/zinc/88/34/53/1021883453.db2.gz AAQSUXYKRKGUFH-NXHRZFHOSA-N 2 2 329.875 4.167 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305874 1021889815 /nfs/dbraw/zinc/88/98/15/1021889815.db2.gz DDMKJFVYPCKPBI-YJBOKZPZSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305874 1021889817 /nfs/dbraw/zinc/88/98/17/1021889817.db2.gz DDMKJFVYPCKPBI-YJBOKZPZSA-N 2 2 329.513 4.094 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000414131994 1021903297 /nfs/dbraw/zinc/90/32/97/1021903297.db2.gz LRWRQGSCOZPAGS-BPQIPLTHSA-N 2 2 329.875 4.167 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255519 1022246469 /nfs/dbraw/zinc/24/64/69/1022246469.db2.gz OAVFRCUQFGRUOW-KRWDZBQOSA-N 2 2 343.540 4.201 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255519 1022246488 /nfs/dbraw/zinc/24/64/88/1022246488.db2.gz OAVFRCUQFGRUOW-KRWDZBQOSA-N 2 2 343.540 4.201 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255519 1022246500 /nfs/dbraw/zinc/24/65/00/1022246500.db2.gz OAVFRCUQFGRUOW-KRWDZBQOSA-N 2 2 343.540 4.201 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255519 1022246508 /nfs/dbraw/zinc/24/65/08/1022246508.db2.gz OAVFRCUQFGRUOW-KRWDZBQOSA-N 2 2 343.540 4.201 20 0 EIADLP CC(C)[NH+](CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C(C)C ZINC000343852080 1022358273 /nfs/dbraw/zinc/35/82/73/1022358273.db2.gz LKXKDWWDKBWYDY-UHFFFAOYSA-N 2 2 348.922 4.124 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000472572923 1022372626 /nfs/dbraw/zinc/37/26/26/1022372626.db2.gz YYCJYRCYTCIGDY-WMLDXEAASA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000472572923 1022372654 /nfs/dbraw/zinc/37/26/54/1022372654.db2.gz YYCJYRCYTCIGDY-WMLDXEAASA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000472572923 1022372673 /nfs/dbraw/zinc/37/26/73/1022372673.db2.gz YYCJYRCYTCIGDY-WMLDXEAASA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000472572923 1022372684 /nfs/dbraw/zinc/37/26/84/1022372684.db2.gz YYCJYRCYTCIGDY-WMLDXEAASA-N 2 2 339.321 4.174 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414294256 1022424869 /nfs/dbraw/zinc/42/48/69/1022424869.db2.gz DPSCIWKYCDJDSQ-RSPOEFSDSA-N 2 2 329.532 4.096 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414294256 1022424883 /nfs/dbraw/zinc/42/48/83/1022424883.db2.gz DPSCIWKYCDJDSQ-RSPOEFSDSA-N 2 2 329.532 4.096 20 0 EIADLP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1C(F)(F)F ZINC000414295988 1022433400 /nfs/dbraw/zinc/43/34/00/1022433400.db2.gz XSFKEMAOAADELY-UHFFFAOYSA-N 2 2 349.400 4.167 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)CCC2 ZINC000378182855 1022477873 /nfs/dbraw/zinc/47/78/73/1022477873.db2.gz JUCKMVAGUSUSSS-HKUYNNGSSA-N 2 2 329.463 4.065 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467198080 1022547000 /nfs/dbraw/zinc/54/70/00/1022547000.db2.gz WONBLGHWLGTKIZ-PXNSSMCTSA-N 2 2 339.483 4.405 20 0 EIADLP CCCC[NH+](CCCC)CCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167732926 1022579381 /nfs/dbraw/zinc/57/93/81/1022579381.db2.gz IJGTUPWHYDKOCW-UHFFFAOYSA-N 2 2 328.504 4.246 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011886 1022648751 /nfs/dbraw/zinc/64/87/51/1022648751.db2.gz DITQGLIDHBXSLG-CRAIPNDOSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011886 1022648755 /nfs/dbraw/zinc/64/87/55/1022648755.db2.gz DITQGLIDHBXSLG-CRAIPNDOSA-N 2 2 344.886 4.046 20 0 EIADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCCCC2)n1 ZINC000367615310 1022698960 /nfs/dbraw/zinc/69/89/60/1022698960.db2.gz LDFYVXZUFNKAFF-LJQANCHMSA-N 2 2 330.520 4.028 20 0 EIADLP COc1c(C)cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000367617994 1022818441 /nfs/dbraw/zinc/81/84/41/1022818441.db2.gz OCVYYSUXJMLCQW-AWEZNQCLSA-N 2 2 347.890 4.083 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892650722 1022822775 /nfs/dbraw/zinc/82/27/75/1022822775.db2.gz PYWMEDQKRNKTAH-OAHLLOKOSA-N 2 2 325.378 4.164 20 0 EIADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522735787 1022838089 /nfs/dbraw/zinc/83/80/89/1022838089.db2.gz UOASBBODBZVKSQ-FQEVSTJZSA-N 2 2 344.543 4.418 20 0 EIADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522735787 1022838094 /nfs/dbraw/zinc/83/80/94/1022838094.db2.gz UOASBBODBZVKSQ-FQEVSTJZSA-N 2 2 344.543 4.418 20 0 EIADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 ZINC000363998424 1023108873 /nfs/dbraw/zinc/10/88/73/1023108873.db2.gz CKNHUERPZPQIET-VQIMIIECSA-N 2 2 343.540 4.223 20 0 EIADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 ZINC000363998424 1023108884 /nfs/dbraw/zinc/10/88/84/1023108884.db2.gz CKNHUERPZPQIET-VQIMIIECSA-N 2 2 343.540 4.223 20 0 EIADLP Cc1cc2c(s1)N(c1ccc([C@H](C)[NH3+])nc1)c1ccccc1NC2=[NH2+] ZINC001167471480 1023381122 /nfs/dbraw/zinc/38/11/22/1023381122.db2.gz FBWOXUFXHZLIMZ-LBPRGKRZSA-N 2 2 349.463 4.291 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188879190 1023388351 /nfs/dbraw/zinc/38/83/51/1023388351.db2.gz GBECXMNZCLUXLW-OAQYLSRUSA-N 2 2 336.479 4.073 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000549167912 1023411369 /nfs/dbraw/zinc/41/13/69/1023411369.db2.gz XUGZIVBRIWFBLC-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000549167912 1023411373 /nfs/dbraw/zinc/41/13/73/1023411373.db2.gz XUGZIVBRIWFBLC-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000510436658 1023449204 /nfs/dbraw/zinc/44/92/04/1023449204.db2.gz TVKPTRIZETWDHY-UHFFFAOYSA-N 2 2 332.385 4.151 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000510436658 1023449209 /nfs/dbraw/zinc/44/92/09/1023449209.db2.gz TVKPTRIZETWDHY-UHFFFAOYSA-N 2 2 332.385 4.151 20 0 EIADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccccc21 ZINC000377370474 1023498154 /nfs/dbraw/zinc/49/81/54/1023498154.db2.gz XZJKRJQVYNYKGT-BVSLBCMMSA-N 2 2 335.495 4.084 20 0 EIADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccccc21 ZINC000377370474 1023498157 /nfs/dbraw/zinc/49/81/57/1023498157.db2.gz XZJKRJQVYNYKGT-BVSLBCMMSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccccc21 ZINC000377370474 1023498162 /nfs/dbraw/zinc/49/81/62/1023498162.db2.gz XZJKRJQVYNYKGT-BVSLBCMMSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCCc2ccccc21 ZINC000377370474 1023498164 /nfs/dbraw/zinc/49/81/64/1023498164.db2.gz XZJKRJQVYNYKGT-BVSLBCMMSA-N 2 2 335.495 4.084 20 0 EIADLP C[C@@]1(C[NH2+]Cc2cccc3cnccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000397947924 1023605140 /nfs/dbraw/zinc/60/51/40/1023605140.db2.gz NKFNZWQWVSPYBT-QHCPKHFHSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@@]1(C[NH2+]Cc2cccc3cnccc32)CCC[N@H+]1Cc1ccccc1 ZINC000397947924 1023605144 /nfs/dbraw/zinc/60/51/44/1023605144.db2.gz NKFNZWQWVSPYBT-QHCPKHFHSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000783237120 1023620090 /nfs/dbraw/zinc/62/00/90/1023620090.db2.gz QHJHMEACFURGIF-JTSKRJEESA-N 2 2 331.463 4.487 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619620 1023636397 /nfs/dbraw/zinc/63/63/97/1023636397.db2.gz DILSPSPRSAJDDH-YIONKMFJSA-N 2 2 343.298 4.059 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619620 1023636404 /nfs/dbraw/zinc/63/64/04/1023636404.db2.gz DILSPSPRSAJDDH-YIONKMFJSA-N 2 2 343.298 4.059 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619620 1023636409 /nfs/dbraw/zinc/63/64/09/1023636409.db2.gz DILSPSPRSAJDDH-YIONKMFJSA-N 2 2 343.298 4.059 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619620 1023636415 /nfs/dbraw/zinc/63/64/15/1023636415.db2.gz DILSPSPRSAJDDH-YIONKMFJSA-N 2 2 343.298 4.059 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000893079246 1023763749 /nfs/dbraw/zinc/76/37/49/1023763749.db2.gz HXNWUYWSWVPCKV-FPOVZHCZSA-N 2 2 331.463 4.024 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4sccc43)sc2C1 ZINC000341540841 1023845391 /nfs/dbraw/zinc/84/53/91/1023845391.db2.gz VTXRHBKRSQWVBO-CQSZACIVSA-N 2 2 347.553 4.138 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4sccc43)sc2C1 ZINC000341540841 1023845395 /nfs/dbraw/zinc/84/53/95/1023845395.db2.gz VTXRHBKRSQWVBO-CQSZACIVSA-N 2 2 347.553 4.138 20 0 EIADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478463 1023859584 /nfs/dbraw/zinc/85/95/84/1023859584.db2.gz BZWAXOPSYGPSKA-CABCVRRESA-N 2 2 325.447 4.080 20 0 EIADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478463 1023859585 /nfs/dbraw/zinc/85/95/85/1023859585.db2.gz BZWAXOPSYGPSKA-CABCVRRESA-N 2 2 325.447 4.080 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000510537404 1024004473 /nfs/dbraw/zinc/00/44/73/1024004473.db2.gz HSOJHHPLCPHDLW-UKRRQHHQSA-N 2 2 348.288 4.155 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Br)c1 ZINC000510537404 1024004491 /nfs/dbraw/zinc/00/44/91/1024004491.db2.gz HSOJHHPLCPHDLW-UKRRQHHQSA-N 2 2 348.288 4.155 20 0 EIADLP Clc1ccccc1C1CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000510658561 1024186480 /nfs/dbraw/zinc/18/64/80/1024186480.db2.gz AWSMBIWKTZHTJF-UHFFFAOYSA-N 2 2 329.875 4.463 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651688371 1024207896 /nfs/dbraw/zinc/20/78/96/1024207896.db2.gz IMBIHSKYJIGWFO-KRWDZBQOSA-N 2 2 335.495 4.416 20 0 EIADLP CC[C@H](OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000651908316 1024208767 /nfs/dbraw/zinc/20/87/67/1024208767.db2.gz BAVKDUZOWAKYHU-IBGZPJMESA-N 2 2 341.480 4.191 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(F)c2)c1 ZINC000510735215 1024371957 /nfs/dbraw/zinc/37/19/57/1024371957.db2.gz NISDZMTVERLQEY-VSKRKVRLSA-N 2 2 338.470 4.440 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(F)c2)c1 ZINC000510735215 1024371974 /nfs/dbraw/zinc/37/19/74/1024371974.db2.gz NISDZMTVERLQEY-VSKRKVRLSA-N 2 2 338.470 4.440 20 0 EIADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091265553 1024549247 /nfs/dbraw/zinc/54/92/47/1024549247.db2.gz CRUQQQQTIXTHDK-GFCCVEGCSA-N 2 2 348.922 4.187 20 0 EIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639665 1024818412 /nfs/dbraw/zinc/81/84/12/1024818412.db2.gz KYDYUTWZKZURBC-RTWAWAEBSA-N 2 2 342.527 4.123 20 0 EIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000709639665 1024818414 /nfs/dbraw/zinc/81/84/14/1024818414.db2.gz KYDYUTWZKZURBC-RTWAWAEBSA-N 2 2 342.527 4.123 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000249031104 1024876232 /nfs/dbraw/zinc/87/62/32/1024876232.db2.gz RGJQESNOHZAVSU-NEPJUHHUSA-N 2 2 331.287 4.082 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000249031104 1024876235 /nfs/dbraw/zinc/87/62/35/1024876235.db2.gz RGJQESNOHZAVSU-NEPJUHHUSA-N 2 2 331.287 4.082 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)s1 ZINC000348710543 1024903060 /nfs/dbraw/zinc/90/30/60/1024903060.db2.gz DBJRJMHTACHACR-FQEVSTJZSA-N 2 2 343.540 4.149 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@](C)(c3ccccc3)CC2)s1 ZINC000348710543 1024903070 /nfs/dbraw/zinc/90/30/70/1024903070.db2.gz DBJRJMHTACHACR-FQEVSTJZSA-N 2 2 343.540 4.149 20 0 EIADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000663305298 1025033101 /nfs/dbraw/zinc/03/31/01/1025033101.db2.gz XDDUTAUISOTKLQ-FGZHOGPDSA-N 2 2 344.543 4.179 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC ZINC000151356086 1025286512 /nfs/dbraw/zinc/28/65/12/1025286512.db2.gz LPZKPDPCOJQPBU-FQEVSTJZSA-N 2 2 335.451 4.181 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)c[nH+]1 ZINC000176635889 1025346088 /nfs/dbraw/zinc/34/60/88/1025346088.db2.gz QGDKEZSRFKJUSJ-FQEVSTJZSA-N 2 2 345.446 4.408 20 0 EIADLP Cc1ccccc1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000511989695 1025431102 /nfs/dbraw/zinc/43/11/02/1025431102.db2.gz MKXOQEKFKILMED-GOSISDBHSA-N 2 2 331.529 4.390 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164909 1025583149 /nfs/dbraw/zinc/58/31/49/1025583149.db2.gz VRAPUAJVFKFDFX-WOJBJXKFSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164909 1025583164 /nfs/dbraw/zinc/58/31/64/1025583164.db2.gz VRAPUAJVFKFDFX-WOJBJXKFSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342258726 1025650120 /nfs/dbraw/zinc/65/01/20/1025650120.db2.gz YXJUEGUIBQBTTG-INIZCTEOSA-N 2 2 341.480 4.019 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000163855588 1025867172 /nfs/dbraw/zinc/86/71/72/1025867172.db2.gz GYNFKVURROZIGF-HNNXBMFYSA-N 2 2 338.480 4.358 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412827 1025882020 /nfs/dbraw/zinc/88/20/20/1025882020.db2.gz DFSVODUAQGEHCK-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412827 1025882022 /nfs/dbraw/zinc/88/20/22/1025882022.db2.gz DFSVODUAQGEHCK-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000344035438 1025891994 /nfs/dbraw/zinc/89/19/94/1025891994.db2.gz QZSXKZMXPOXFRP-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000344033206 1025892959 /nfs/dbraw/zinc/89/29/59/1025892959.db2.gz ZNEOQIRAOCLSOR-RXVVDRJESA-N 2 2 326.484 4.047 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000344033206 1025892961 /nfs/dbraw/zinc/89/29/61/1025892961.db2.gz ZNEOQIRAOCLSOR-RXVVDRJESA-N 2 2 326.484 4.047 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000151944712 1025925964 /nfs/dbraw/zinc/92/59/64/1025925964.db2.gz SDYCSVZHSXZQRF-QILLFSRXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000151944712 1025926009 /nfs/dbraw/zinc/92/60/09/1025926009.db2.gz SDYCSVZHSXZQRF-QILLFSRXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cccc2c(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c[nH]c21 ZINC000344207705 1026130639 /nfs/dbraw/zinc/13/06/39/1026130639.db2.gz INAIWSYDXRWILC-UHFFFAOYSA-N 2 2 336.464 4.056 20 0 EIADLP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158159790 1026299701 /nfs/dbraw/zinc/29/97/01/1026299701.db2.gz MSYXJAUKKMWEET-XJABCFGWSA-N 2 2 347.462 4.443 20 0 EIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCCCC(C)C)CC2)cc1 ZINC000894729433 1026380130 /nfs/dbraw/zinc/38/01/30/1026380130.db2.gz OXMUDPRTBOPCPX-UHFFFAOYSA-N 2 2 345.531 4.025 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccsc3)s1)CCC2 ZINC000344546537 1026440802 /nfs/dbraw/zinc/44/08/02/1026440802.db2.gz UCVHHMAAPZZQSO-CYBMUJFWSA-N 2 2 344.509 4.044 20 0 EIADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426791 1026577280 /nfs/dbraw/zinc/57/72/80/1026577280.db2.gz GAENPWHZADPPAL-PKOBYXMFSA-N 2 2 346.425 4.008 20 0 EIADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426791 1026577289 /nfs/dbraw/zinc/57/72/89/1026577289.db2.gz GAENPWHZADPPAL-PKOBYXMFSA-N 2 2 346.425 4.008 20 0 EIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)F)cc1 ZINC000152810735 1026854860 /nfs/dbraw/zinc/85/48/60/1026854860.db2.gz VJQRSLCTAMNLDM-QGZVFWFLSA-N 2 2 349.425 4.104 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474472333 1027099694 /nfs/dbraw/zinc/09/96/94/1027099694.db2.gz NTDRIWVTMMWIBX-CVEARBPZSA-N 2 2 343.902 4.486 20 0 EIADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000474489110 1027143526 /nfs/dbraw/zinc/14/35/26/1027143526.db2.gz NPKLITKNDYLYGU-HRCADAONSA-N 2 2 333.545 4.354 20 0 EIADLP CC(C)Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000896035542 1027175664 /nfs/dbraw/zinc/17/56/64/1027175664.db2.gz UMAAGOOLBGLOIR-OAQYLSRUSA-N 2 2 334.467 4.008 20 0 EIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000302033444 1027193923 /nfs/dbraw/zinc/19/39/23/1027193923.db2.gz KZUDCVZARYHRAG-FOIQADDNSA-N 2 2 334.467 4.390 20 0 EIADLP Cc1cccc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235518 1027277502 /nfs/dbraw/zinc/27/75/02/1027277502.db2.gz IGWLDHHJQLDERW-KBXCAEBGSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cccc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235518 1027277533 /nfs/dbraw/zinc/27/75/33/1027277533.db2.gz IGWLDHHJQLDERW-KBXCAEBGSA-N 2 2 333.838 4.287 20 0 EIADLP CC(C)C[C@@H](C)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000520288349 1027392814 /nfs/dbraw/zinc/39/28/14/1027392814.db2.gz MVPAAPQYMKFQNA-MOPGFXCFSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078517340 1027455567 /nfs/dbraw/zinc/45/55/67/1027455567.db2.gz UTNOSAMYWDMXFL-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441367422 1027492685 /nfs/dbraw/zinc/49/26/85/1027492685.db2.gz IBXZXZAUCUGHQG-IBGZPJMESA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441367422 1027492691 /nfs/dbraw/zinc/49/26/91/1027492691.db2.gz IBXZXZAUCUGHQG-IBGZPJMESA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000441367422 1027492699 /nfs/dbraw/zinc/49/26/99/1027492699.db2.gz IBXZXZAUCUGHQG-IBGZPJMESA-N 2 2 330.516 4.121 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000441367422 1027492707 /nfs/dbraw/zinc/49/27/07/1027492707.db2.gz IBXZXZAUCUGHQG-IBGZPJMESA-N 2 2 330.516 4.121 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127215626 1027576527 /nfs/dbraw/zinc/57/65/27/1027576527.db2.gz OAYZTQDRBYSQOY-UHFFFAOYSA-N 2 2 335.451 4.197 20 0 EIADLP Fc1cccc([C@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000475563106 1027628078 /nfs/dbraw/zinc/62/80/78/1027628078.db2.gz PZSGLAOCXAYMMM-DOTOQJQBSA-N 2 2 341.455 4.499 20 0 EIADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@H]2CCc3ccccc32)cc1 ZINC001168043804 1027732942 /nfs/dbraw/zinc/73/29/42/1027732942.db2.gz NVLFNSXWYFAICD-QFIPXVFZSA-N 2 2 331.463 4.381 20 0 EIADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCc3ccccc32)cc1 ZINC001168043804 1027732982 /nfs/dbraw/zinc/73/29/82/1027732982.db2.gz NVLFNSXWYFAICD-QFIPXVFZSA-N 2 2 331.463 4.381 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923250 1027802095 /nfs/dbraw/zinc/80/20/95/1027802095.db2.gz PIJRFVJUILHMQI-FXAWDEMLSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923250 1027802102 /nfs/dbraw/zinc/80/21/02/1027802102.db2.gz PIJRFVJUILHMQI-FXAWDEMLSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc(F)c1 ZINC000153661250 1027836551 /nfs/dbraw/zinc/83/65/51/1027836551.db2.gz LNDJFNKOVMLDBG-LBPRGKRZSA-N 2 2 331.341 4.140 20 0 EIADLP Clc1ccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536369448 1028173576 /nfs/dbraw/zinc/17/35/76/1028173576.db2.gz RDTXVDHJKGZDEP-UHFFFAOYSA-N 2 2 345.874 4.080 20 0 EIADLP Clc1cccc(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000523520071 1028188117 /nfs/dbraw/zinc/18/81/17/1028188117.db2.gz HCEZGBPUIBKSKM-UHFFFAOYSA-N 2 2 337.854 4.347 20 0 EIADLP Fc1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000346146218 1028283033 /nfs/dbraw/zinc/28/30/33/1028283033.db2.gz HPMQLZXLGBJZEX-UHFFFAOYSA-N 2 2 327.428 4.238 20 0 EIADLP Fc1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000346146218 1028283052 /nfs/dbraw/zinc/28/30/52/1028283052.db2.gz HPMQLZXLGBJZEX-UHFFFAOYSA-N 2 2 327.428 4.238 20 0 EIADLP COc1ccccc1C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346155771 1028285231 /nfs/dbraw/zinc/28/52/31/1028285231.db2.gz RMGLFOWLLVQVFU-UHFFFAOYSA-N 2 2 339.464 4.107 20 0 EIADLP COc1ccccc1C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346155771 1028285249 /nfs/dbraw/zinc/28/52/49/1028285249.db2.gz RMGLFOWLLVQVFU-UHFFFAOYSA-N 2 2 339.464 4.107 20 0 EIADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)nn(C)c1C ZINC000155154344 1028362662 /nfs/dbraw/zinc/36/26/62/1028362662.db2.gz CATDCVUYBNNRMG-AUUYWEPGSA-N 2 2 337.471 4.025 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)nn(C)c1C ZINC000155154022 1028363922 /nfs/dbraw/zinc/36/39/22/1028363922.db2.gz CATDCVUYBNNRMG-LIRRHRJNSA-N 2 2 337.471 4.025 20 0 EIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Br ZINC000523851822 1028421231 /nfs/dbraw/zinc/42/12/31/1028421231.db2.gz DTPVVROFHFCFOT-XJKSGUPXSA-N 2 2 341.337 4.466 20 0 EIADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125618362 1028439591 /nfs/dbraw/zinc/43/95/91/1028439591.db2.gz CFIWQTBMCIADFZ-OAQYLSRUSA-N 2 2 348.494 4.131 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000428397090 1028442891 /nfs/dbraw/zinc/44/28/91/1028442891.db2.gz BBDMUPQOCWRYHS-GOSISDBHSA-N 2 2 333.520 4.050 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000428397090 1028442905 /nfs/dbraw/zinc/44/29/05/1028442905.db2.gz BBDMUPQOCWRYHS-GOSISDBHSA-N 2 2 333.520 4.050 20 0 EIADLP C[C@H]([NH2+]CCCOCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346522697 1028479774 /nfs/dbraw/zinc/47/97/74/1028479774.db2.gz DPLGHHMGKVKSOD-SFHVURJKSA-N 2 2 335.451 4.130 20 0 EIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000427592370 1028572194 /nfs/dbraw/zinc/57/21/94/1028572194.db2.gz DRXMALDCGZWNHW-JOCHJYFZSA-N 2 2 333.479 4.288 20 0 EIADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(F)c1 ZINC000583385820 1028637245 /nfs/dbraw/zinc/63/72/45/1028637245.db2.gz VOYVSYVMFKGMHU-INIZCTEOSA-N 2 2 342.458 4.150 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1csc(C(F)(F)F)c1 ZINC000925173240 1028900537 /nfs/dbraw/zinc/90/05/37/1028900537.db2.gz XLCWXQASSHYJMP-WDEREUQCSA-N 2 2 329.391 4.192 20 0 EIADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000343313781 1028906384 /nfs/dbraw/zinc/90/63/84/1028906384.db2.gz KJUVHYKGUCRBEC-UHFFFAOYSA-N 2 2 325.378 4.203 20 0 EIADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000343313781 1028906401 /nfs/dbraw/zinc/90/64/01/1028906401.db2.gz KJUVHYKGUCRBEC-UHFFFAOYSA-N 2 2 325.378 4.203 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173800 1028921224 /nfs/dbraw/zinc/92/12/24/1028921224.db2.gz ZPULPEWVKIZIIM-RDJZCZTQSA-N 2 2 329.513 4.093 20 0 EIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214709 1028943726 /nfs/dbraw/zinc/94/37/26/1028943726.db2.gz QCFGQXKNOHLGRC-GXTWGEPZSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214709 1028943754 /nfs/dbraw/zinc/94/37/54/1028943754.db2.gz QCFGQXKNOHLGRC-GXTWGEPZSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151131605 1029142103 /nfs/dbraw/zinc/14/21/03/1029142103.db2.gz JIHSUXGPHNCCPC-OLZOCXBDSA-N 2 2 342.270 4.026 20 0 EIADLP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157882315 1029260359 /nfs/dbraw/zinc/26/03/59/1029260359.db2.gz RFTIWVPMOVTUCU-MOPGFXCFSA-N 3 2 340.515 4.178 20 0 EIADLP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157882315 1029260374 /nfs/dbraw/zinc/26/03/74/1029260374.db2.gz RFTIWVPMOVTUCU-MOPGFXCFSA-N 3 2 340.515 4.178 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192750041 1029376458 /nfs/dbraw/zinc/37/64/58/1029376458.db2.gz AJONHNHLPUIZRE-CABCVRRESA-N 2 2 335.407 4.013 20 0 EIADLP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000525181621 1029499686 /nfs/dbraw/zinc/49/96/86/1029499686.db2.gz AFAZCUZSLHQPRI-IBGZPJMESA-N 2 2 341.499 4.428 20 0 EIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000657816326 1029503355 /nfs/dbraw/zinc/50/33/55/1029503355.db2.gz KBDOKJDABBMWHE-GFCCVEGCSA-N 2 2 345.796 4.166 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657817999 1029528353 /nfs/dbraw/zinc/52/83/53/1029528353.db2.gz VAPMTTLQMUUQFK-MRXNPFEDSA-N 2 2 335.451 4.143 20 0 EIADLP CCc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000584176961 1029659754 /nfs/dbraw/zinc/65/97/54/1029659754.db2.gz DROSQUFRNODRMY-UHFFFAOYSA-N 2 2 340.433 4.144 20 0 EIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000657833399 1029660698 /nfs/dbraw/zinc/66/06/98/1029660698.db2.gz FRMMYELSINSMQD-VXGBXAGGSA-N 2 2 345.796 4.165 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000447093163 1029691986 /nfs/dbraw/zinc/69/19/86/1029691986.db2.gz HLVRKBUFKYRICJ-UHFFFAOYSA-N 2 2 331.485 4.013 20 0 EIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)Cc1ccsc1 ZINC000428470050 1029706381 /nfs/dbraw/zinc/70/63/81/1029706381.db2.gz YIMXAKAIEKTYKC-CQSZACIVSA-N 2 2 331.510 4.448 20 0 EIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)Cc1ccsc1 ZINC000428470050 1029706389 /nfs/dbraw/zinc/70/63/89/1029706389.db2.gz YIMXAKAIEKTYKC-CQSZACIVSA-N 2 2 331.510 4.448 20 0 EIADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960516 1029767042 /nfs/dbraw/zinc/76/70/42/1029767042.db2.gz ZUVCCALAWYOSJM-OCCSQVGLSA-N 2 2 339.361 4.249 20 0 EIADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960516 1029767051 /nfs/dbraw/zinc/76/70/51/1029767051.db2.gz ZUVCCALAWYOSJM-OCCSQVGLSA-N 2 2 339.361 4.249 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071304 1029898818 /nfs/dbraw/zinc/89/88/18/1029898818.db2.gz GLXJQNKNNCDEJH-KRWDZBQOSA-N 2 2 349.482 4.098 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071304 1029898819 /nfs/dbraw/zinc/89/88/19/1029898819.db2.gz GLXJQNKNNCDEJH-KRWDZBQOSA-N 2 2 349.482 4.098 20 0 EIADLP FC1(F)CCCC[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450718662 1029931877 /nfs/dbraw/zinc/93/18/77/1029931877.db2.gz UPPHMXFFHSDZNF-QGZVFWFLSA-N 2 2 325.447 4.201 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742201 1029983278 /nfs/dbraw/zinc/98/32/78/1029983278.db2.gz NMFHSGIQMNYCRJ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742201 1029983292 /nfs/dbraw/zinc/98/32/92/1029983292.db2.gz NMFHSGIQMNYCRJ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742201 1029983306 /nfs/dbraw/zinc/98/33/06/1029983306.db2.gz NMFHSGIQMNYCRJ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093742201 1029983316 /nfs/dbraw/zinc/98/33/16/1029983316.db2.gz NMFHSGIQMNYCRJ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315324 1029984625 /nfs/dbraw/zinc/98/46/25/1029984625.db2.gz QDDQTZGJLMUWRY-INIZCTEOSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315324 1029984646 /nfs/dbraw/zinc/98/46/46/1029984646.db2.gz QDDQTZGJLMUWRY-INIZCTEOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315324 1029984668 /nfs/dbraw/zinc/98/46/68/1029984668.db2.gz QDDQTZGJLMUWRY-INIZCTEOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315324 1029984709 /nfs/dbraw/zinc/98/47/09/1029984709.db2.gz QDDQTZGJLMUWRY-INIZCTEOSA-N 2 2 341.326 4.200 20 0 EIADLP FC(F)c1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000526974097 1030374709 /nfs/dbraw/zinc/37/47/09/1030374709.db2.gz CEOIGIGZKWGDPS-UHFFFAOYSA-N 2 2 327.378 4.159 20 0 EIADLP C[C@H](Cc1ccsc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000526991887 1030383842 /nfs/dbraw/zinc/38/38/42/1030383842.db2.gz RHECJISPLZSFRS-UWTIGNOOSA-N 2 2 346.462 4.074 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000448033907 1030513252 /nfs/dbraw/zinc/51/32/52/1030513252.db2.gz ZGOSMCHDRYQVEO-UHFFFAOYSA-N 2 2 330.447 4.438 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)cc1 ZINC000685629537 1030592569 /nfs/dbraw/zinc/59/25/69/1030592569.db2.gz HEDAPUDYWXXZAX-GOSISDBHSA-N 2 2 337.854 4.377 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657931509 1030624984 /nfs/dbraw/zinc/62/49/84/1030624984.db2.gz MVZDUYVULBTQQX-JOCLIGHLSA-N 2 2 327.516 4.021 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000093644179 1030741338 /nfs/dbraw/zinc/74/13/38/1030741338.db2.gz KJHJAGJMJGFZQR-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000093644179 1030741354 /nfs/dbraw/zinc/74/13/54/1030741354.db2.gz KJHJAGJMJGFZQR-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644179 1030741369 /nfs/dbraw/zinc/74/13/69/1030741369.db2.gz KJHJAGJMJGFZQR-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644179 1030741392 /nfs/dbraw/zinc/74/13/92/1030741392.db2.gz KJHJAGJMJGFZQR-KGLIPLIRSA-N 2 2 334.410 4.139 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000648462519 1030776614 /nfs/dbraw/zinc/77/66/14/1030776614.db2.gz CYNIJSLIGZBHPX-FCHUYYIVSA-N 2 2 345.490 4.241 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001168183515 1030839326 /nfs/dbraw/zinc/83/93/26/1030839326.db2.gz QXAVTEWXHIDWHK-HNNXBMFYSA-N 2 2 330.859 4.209 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191542 1030969425 /nfs/dbraw/zinc/96/94/25/1030969425.db2.gz GRMJSHFFWUWORU-YJBOKZPZSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191542 1030969448 /nfs/dbraw/zinc/96/94/48/1030969448.db2.gz GRMJSHFFWUWORU-YJBOKZPZSA-N 2 2 330.859 4.128 20 0 EIADLP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532448163 1031075035 /nfs/dbraw/zinc/07/50/35/1031075035.db2.gz SJQNLCLADFSNJH-ABSDTBQOSA-N 2 2 327.472 4.118 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507551 1031228065 /nfs/dbraw/zinc/22/80/65/1031228065.db2.gz GXMCNMQGOSDVKH-KXBFYZLASA-N 2 2 328.431 4.048 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507551 1031228083 /nfs/dbraw/zinc/22/80/83/1031228083.db2.gz GXMCNMQGOSDVKH-KXBFYZLASA-N 2 2 328.431 4.048 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507550 1031229501 /nfs/dbraw/zinc/22/95/01/1031229501.db2.gz GXMCNMQGOSDVKH-HNAYVOBHSA-N 2 2 328.431 4.048 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507550 1031229516 /nfs/dbraw/zinc/22/95/16/1031229516.db2.gz GXMCNMQGOSDVKH-HNAYVOBHSA-N 2 2 328.431 4.048 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000449090712 1031452687 /nfs/dbraw/zinc/45/26/87/1031452687.db2.gz OKRBEQUVAOAFEE-UHFFFAOYSA-N 3 2 349.607 4.130 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)[C@H]1c1cccs1 ZINC000449161373 1031500073 /nfs/dbraw/zinc/50/00/73/1031500073.db2.gz ORJBBHAXFKBZQS-QAPCUYQASA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)[C@H]1c1cccs1 ZINC000449161373 1031500083 /nfs/dbraw/zinc/50/00/83/1031500083.db2.gz ORJBBHAXFKBZQS-QAPCUYQASA-N 2 2 341.480 4.062 20 0 EIADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000453057218 1031545502 /nfs/dbraw/zinc/54/55/02/1031545502.db2.gz MEYWUJKFWZJMLM-MRXNPFEDSA-N 2 2 327.472 4.112 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1F ZINC000126407641 1031646638 /nfs/dbraw/zinc/64/66/38/1031646638.db2.gz DUKSZYUPIRQVNS-SFHVURJKSA-N 2 2 342.393 4.095 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ncc(-c2ccccc2)n1C ZINC000453196605 1031707767 /nfs/dbraw/zinc/70/77/67/1031707767.db2.gz QXGGJHUJAMSZOV-ZWKOTPCHSA-N 2 2 340.515 4.002 20 0 EIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CC(C)(C)C)CC2)cc1 ZINC000449522255 1031821412 /nfs/dbraw/zinc/82/14/12/1031821412.db2.gz IQZXNQVOEOHBOI-MRXNPFEDSA-N 2 2 345.531 4.024 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000531967343 1031889662 /nfs/dbraw/zinc/88/96/62/1031889662.db2.gz AZEOWUCRKUVEHO-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531968923 1031891295 /nfs/dbraw/zinc/89/12/95/1031891295.db2.gz GUOPMVFUTPYGQY-KRWDZBQOSA-N 2 2 327.472 4.262 20 0 EIADLP c1csc([C@@H]2C[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000449617981 1031895354 /nfs/dbraw/zinc/89/53/54/1031895354.db2.gz AMCIHOPOKBMTDD-BBRMVZONSA-N 2 2 345.493 4.005 20 0 EIADLP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459358551 1031921367 /nfs/dbraw/zinc/92/13/67/1031921367.db2.gz BCRZSWPARSLNLY-FDDCHVKYSA-N 2 2 345.490 4.041 20 0 EIADLP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459358551 1031921382 /nfs/dbraw/zinc/92/13/82/1031921382.db2.gz BCRZSWPARSLNLY-FDDCHVKYSA-N 2 2 345.490 4.041 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394299 1031959575 /nfs/dbraw/zinc/95/95/75/1031959575.db2.gz ISMOLVSQEYFXGA-FXAWDEMLSA-N 2 2 327.516 4.018 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394299 1031959586 /nfs/dbraw/zinc/95/95/86/1031959586.db2.gz ISMOLVSQEYFXGA-FXAWDEMLSA-N 2 2 327.516 4.018 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000419232376 1033788225 /nfs/dbraw/zinc/78/82/25/1033788225.db2.gz FEXHKQRJFHCWFM-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000419232376 1033788256 /nfs/dbraw/zinc/78/82/56/1033788256.db2.gz FEXHKQRJFHCWFM-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152226669 1033791445 /nfs/dbraw/zinc/79/14/45/1033791445.db2.gz COWNXIUJHDZPQJ-IBGZPJMESA-N 2 2 333.435 4.184 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152261142 1033832715 /nfs/dbraw/zinc/83/27/15/1033832715.db2.gz OXNRQLREZPTECJ-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000512989834 1034285276 /nfs/dbraw/zinc/28/52/76/1034285276.db2.gz AUNYSRXLWTZVPF-UHFFFAOYSA-N 2 2 346.824 4.465 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313498 1035509488 /nfs/dbraw/zinc/50/94/88/1035509488.db2.gz UEAYTPCVUDVUED-IFXJQAMLSA-N 2 2 345.874 4.050 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000420313498 1035509497 /nfs/dbraw/zinc/50/94/97/1035509497.db2.gz UEAYTPCVUDVUED-IFXJQAMLSA-N 2 2 345.874 4.050 20 0 EIADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333335 1036099869 /nfs/dbraw/zinc/09/98/69/1036099869.db2.gz OBBPAYVSHZRZBN-LKIHTYOGSA-N 2 2 339.458 4.251 20 0 EIADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333335 1036099900 /nfs/dbraw/zinc/09/99/00/1036099900.db2.gz OBBPAYVSHZRZBN-LKIHTYOGSA-N 2 2 339.458 4.251 20 0 EIADLP Cc1ccc2c(C)cc(NC[C@H](c3cccs3)[NH+](C)C)[nH+]c2c1 ZINC000641935834 1036348521 /nfs/dbraw/zinc/34/85/21/1036348521.db2.gz YEMYYJNLLJWZGL-QGZVFWFLSA-N 2 2 325.481 4.050 20 0 EIADLP CC[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000668575117 1036429318 /nfs/dbraw/zinc/42/93/18/1036429318.db2.gz HBCQCOCYOXUXNN-GHTZIAJQSA-N 2 2 333.479 4.487 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421834592 1036796947 /nfs/dbraw/zinc/79/69/47/1036796947.db2.gz CNBMKLLBQNOAFI-BQFCYCMXSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421834592 1036796965 /nfs/dbraw/zinc/79/69/65/1036796965.db2.gz CNBMKLLBQNOAFI-BQFCYCMXSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC3(CC3)CC2)CCOCC1)c1ccccc1 ZINC000486719015 1036826276 /nfs/dbraw/zinc/82/62/76/1036826276.db2.gz FNZMYHKCCJVEPZ-SFHVURJKSA-N 2 2 342.527 4.199 20 0 EIADLP C/C(=C/c1ccccc1)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669683000 1036852030 /nfs/dbraw/zinc/85/20/30/1036852030.db2.gz ZFEYXZZJMCVHNG-TXOBRMIJSA-N 2 2 331.463 4.397 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000486963030 1036926187 /nfs/dbraw/zinc/92/61/87/1036926187.db2.gz DTRVQASRQPQZBP-UHFFFAOYSA-N 2 2 334.916 4.464 20 0 EIADLP Cc1ccccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272184329 1037120395 /nfs/dbraw/zinc/12/03/95/1037120395.db2.gz GFAFTJBZYBVZMN-QGZVFWFLSA-N 2 2 338.499 4.094 20 0 EIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Sc1ccccc1 ZINC000272626458 1037253359 /nfs/dbraw/zinc/25/33/59/1037253359.db2.gz ZLANINGHZDGHCI-CQSZACIVSA-N 2 2 346.462 4.174 20 0 EIADLP COCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000272693345 1037269425 /nfs/dbraw/zinc/26/94/25/1037269425.db2.gz XKCLFQPMEWGTLQ-APWZRJJASA-N 2 2 339.439 4.202 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000273104384 1037361241 /nfs/dbraw/zinc/36/12/41/1037361241.db2.gz VFIIPRQMPDLMHB-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488429271 1037588879 /nfs/dbraw/zinc/58/88/79/1037588879.db2.gz DRVNHRAGZJYJKN-PBHICJAKSA-N 2 2 333.476 4.021 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422866262 1037849256 /nfs/dbraw/zinc/84/92/56/1037849256.db2.gz PZCZUEWCWWGJHW-XMSQKQJNSA-N 2 2 338.495 4.024 20 0 EIADLP Cc1sc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422878699 1037852937 /nfs/dbraw/zinc/85/29/37/1037852937.db2.gz UDQBRSQIERUCRC-WDEREUQCSA-N 2 2 335.904 4.030 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422890622 1037855391 /nfs/dbraw/zinc/85/53/91/1037855391.db2.gz SQJHKMWJXZKWNI-KEYYUXOJSA-N 2 2 329.513 4.218 20 0 EIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422872475 1037857773 /nfs/dbraw/zinc/85/77/73/1037857773.db2.gz HGQILOGTAUVDJM-MRXNPFEDSA-N 2 2 327.472 4.222 20 0 EIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422906694 1037863853 /nfs/dbraw/zinc/86/38/53/1037863853.db2.gz AEZDDLXWIVZOTL-VYDXJSESSA-N 2 2 344.528 4.167 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423072456 1037933211 /nfs/dbraw/zinc/93/32/11/1037933211.db2.gz JJEPMFZDCRRIRY-FUNVUKJBSA-N 2 2 344.808 4.221 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095981 1037934545 /nfs/dbraw/zinc/93/45/45/1037934545.db2.gz WLAKMMDRFDEFMT-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095981 1037934557 /nfs/dbraw/zinc/93/45/57/1037934557.db2.gz WLAKMMDRFDEFMT-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000574095981 1037934577 /nfs/dbraw/zinc/93/45/77/1037934577.db2.gz WLAKMMDRFDEFMT-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000574095981 1037934593 /nfs/dbraw/zinc/93/45/93/1037934593.db2.gz WLAKMMDRFDEFMT-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447717 1038067278 /nfs/dbraw/zinc/06/72/78/1038067278.db2.gz WBJCDBKKJSRPAU-QGZVFWFLSA-N 2 2 326.406 4.156 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447717 1038067302 /nfs/dbraw/zinc/06/73/02/1038067302.db2.gz WBJCDBKKJSRPAU-QGZVFWFLSA-N 2 2 326.406 4.156 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000606470925 1038094934 /nfs/dbraw/zinc/09/49/34/1038094934.db2.gz GBSLUUSJJOQIDH-RBBKRZOGSA-N 2 2 331.463 4.373 20 0 EIADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc2ccccc2c1 ZINC000423406876 1038215304 /nfs/dbraw/zinc/21/53/04/1038215304.db2.gz VFRVCJGNGPCDBM-NMIHRBCNSA-N 2 2 338.495 4.025 20 0 EIADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423452061 1038231014 /nfs/dbraw/zinc/23/10/14/1038231014.db2.gz VVUNIEXZQAVKKR-PRXAMGSTSA-N 2 2 340.364 4.259 20 0 EIADLP COc1ccccc1/C=C\C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075430 1038494838 /nfs/dbraw/zinc/49/48/38/1038494838.db2.gz VXJYWFCYWZYLBW-VUBAQRPUSA-N 2 2 347.462 4.016 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000424164273 1038699683 /nfs/dbraw/zinc/69/96/83/1038699683.db2.gz ZEWDKIJEJOUYFW-KRWDZBQOSA-N 2 2 326.488 4.308 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000424164273 1038699985 /nfs/dbraw/zinc/69/99/85/1038699985.db2.gz ZEWDKIJEJOUYFW-KRWDZBQOSA-N 2 2 326.488 4.308 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000480764390 1038788281 /nfs/dbraw/zinc/78/82/81/1038788281.db2.gz AJPAGJBPMYQCQZ-HXUWFJFHSA-N 2 2 342.527 4.012 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000480764390 1038788297 /nfs/dbraw/zinc/78/82/97/1038788297.db2.gz AJPAGJBPMYQCQZ-HXUWFJFHSA-N 2 2 342.527 4.012 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480756799 1038797086 /nfs/dbraw/zinc/79/70/86/1038797086.db2.gz AGDNEUYGKWAXCY-YOEHRIQHSA-N 2 2 328.422 4.218 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480756799 1038797116 /nfs/dbraw/zinc/79/71/16/1038797116.db2.gz AGDNEUYGKWAXCY-YOEHRIQHSA-N 2 2 328.422 4.218 20 0 EIADLP Fc1ccc(C([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000537607013 1038825932 /nfs/dbraw/zinc/82/59/32/1038825932.db2.gz CESGONMLKFRVSR-UHFFFAOYSA-N 2 2 341.405 4.321 20 0 EIADLP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000550735374 1038826673 /nfs/dbraw/zinc/82/66/73/1038826673.db2.gz GMEZDNOCAMWKJZ-CTNGQTDRSA-N 2 2 336.479 4.109 20 0 EIADLP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000550735374 1038826677 /nfs/dbraw/zinc/82/66/77/1038826677.db2.gz GMEZDNOCAMWKJZ-CTNGQTDRSA-N 2 2 336.479 4.109 20 0 EIADLP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481016842 1038945956 /nfs/dbraw/zinc/94/59/56/1038945956.db2.gz BNJPLQVIOZVIBS-LJQANCHMSA-N 2 2 348.494 4.440 20 0 EIADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)n1 ZINC000120104495 1039042910 /nfs/dbraw/zinc/04/29/10/1039042910.db2.gz OTHWCRPLRABELJ-SFHVURJKSA-N 2 2 333.545 4.289 20 0 EIADLP Cc1csc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)n1 ZINC000120104393 1039043194 /nfs/dbraw/zinc/04/31/94/1039043194.db2.gz OTHWCRPLRABELJ-GOSISDBHSA-N 2 2 333.545 4.289 20 0 EIADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128588 1039142089 /nfs/dbraw/zinc/14/20/89/1039142089.db2.gz MREJQMBWOHQIGW-AWEZNQCLSA-N 2 2 347.409 4.321 20 0 EIADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414834103 1039257824 /nfs/dbraw/zinc/25/78/24/1039257824.db2.gz GXCDHLLSESCTSV-SNVBAGLBSA-N 2 2 344.311 4.062 20 0 EIADLP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667128 1039271336 /nfs/dbraw/zinc/27/13/36/1039271336.db2.gz HMKOWEVXSGHIRL-CVEARBPZSA-N 2 2 335.561 4.117 20 0 EIADLP COc1ccsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000509450671 1039409697 /nfs/dbraw/zinc/40/96/97/1039409697.db2.gz GQRIBKQVTCCJNO-IBGZPJMESA-N 2 2 344.524 4.147 20 0 EIADLP COc1ccsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000509450671 1039409703 /nfs/dbraw/zinc/40/97/03/1039409703.db2.gz GQRIBKQVTCCJNO-IBGZPJMESA-N 2 2 344.524 4.147 20 0 EIADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000643496651 1039623074 /nfs/dbraw/zinc/62/30/74/1039623074.db2.gz ILNBYIUAVBHTKG-MRXNPFEDSA-N 2 2 325.456 4.186 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000550990265 1039855623 /nfs/dbraw/zinc/85/56/23/1039855623.db2.gz FZBNQKFQXNIYJC-MSOLQXFVSA-N 2 2 346.421 4.213 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000550990265 1039855626 /nfs/dbraw/zinc/85/56/26/1039855626.db2.gz FZBNQKFQXNIYJC-MSOLQXFVSA-N 2 2 346.421 4.213 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000481975829 1039922145 /nfs/dbraw/zinc/92/21/45/1039922145.db2.gz UATREQXIUYUMCP-ZDUSSCGKSA-N 2 2 344.421 4.342 20 0 EIADLP CC[N@H+](C[C@@H]1CCC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000551068078 1039950239 /nfs/dbraw/zinc/95/02/39/1039950239.db2.gz UFPJEZLUPOOENR-QGZVFWFLSA-N 2 2 337.458 4.055 20 0 EIADLP CC[N@@H+](C[C@@H]1CCC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000551068078 1039950256 /nfs/dbraw/zinc/95/02/56/1039950256.db2.gz UFPJEZLUPOOENR-QGZVFWFLSA-N 2 2 337.458 4.055 20 0 EIADLP FC(F)(F)c1ccccc1C1=CC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000551075218 1039958433 /nfs/dbraw/zinc/95/84/33/1039958433.db2.gz HCSVDZFBGGKPNU-UHFFFAOYSA-N 2 2 338.417 4.280 20 0 EIADLP FC(F)(F)c1ccccc1C1=CC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000551075218 1039958462 /nfs/dbraw/zinc/95/84/62/1039958462.db2.gz HCSVDZFBGGKPNU-UHFFFAOYSA-N 2 2 338.417 4.280 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000482102995 1040018671 /nfs/dbraw/zinc/01/86/71/1040018671.db2.gz BUOTZWJGYPRERM-JKSUJKDBSA-N 2 2 332.513 4.466 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000482102995 1040018689 /nfs/dbraw/zinc/01/86/89/1040018689.db2.gz BUOTZWJGYPRERM-JKSUJKDBSA-N 2 2 332.513 4.466 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1OC ZINC000482131278 1040040356 /nfs/dbraw/zinc/04/03/56/1040040356.db2.gz XHRWKYSCFUQIPQ-NVXWUHKLSA-N 2 2 341.499 4.245 20 0 EIADLP Clc1ccc(-c2ncc(C[NH2+]CCCCn3cc[nH+]c3)s2)cc1 ZINC000551206217 1040060796 /nfs/dbraw/zinc/06/07/96/1040060796.db2.gz ZCWCNWQGJVENPS-UHFFFAOYSA-N 2 2 346.887 4.230 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1Br ZINC000482260508 1040104697 /nfs/dbraw/zinc/10/46/97/1040104697.db2.gz ITSSCSDLTQTJTE-CQSZACIVSA-N 2 2 348.288 4.387 20 0 EIADLP CC(C)OCC[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553489688 1040262160 /nfs/dbraw/zinc/26/21/60/1040262160.db2.gz NWROBFPWFDWREI-UHFFFAOYSA-N 2 2 347.890 4.190 20 0 EIADLP CCC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000482513124 1040319199 /nfs/dbraw/zinc/31/91/99/1040319199.db2.gz RKYXSTPZSAPZSJ-LANMQJKKSA-N 2 2 329.532 4.098 20 0 EIADLP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000482513124 1040319218 /nfs/dbraw/zinc/31/92/18/1040319218.db2.gz RKYXSTPZSAPZSJ-LANMQJKKSA-N 2 2 329.532 4.098 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482633510 1040397031 /nfs/dbraw/zinc/39/70/31/1040397031.db2.gz QVSAYICKWBFWQU-GOSISDBHSA-N 2 2 332.532 4.152 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000539555029 1040554869 /nfs/dbraw/zinc/55/48/69/1040554869.db2.gz QIDOPPQSLQGKDS-HNNXBMFYSA-N 2 2 330.422 4.064 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000539555029 1040554891 /nfs/dbraw/zinc/55/48/91/1040554891.db2.gz QIDOPPQSLQGKDS-HNNXBMFYSA-N 2 2 330.422 4.064 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577611 1040578091 /nfs/dbraw/zinc/57/80/91/1040578091.db2.gz YCAYCTHPRNSKKP-IAGOWNOFSA-N 2 2 337.389 4.170 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577611 1040578115 /nfs/dbraw/zinc/57/81/15/1040578115.db2.gz YCAYCTHPRNSKKP-IAGOWNOFSA-N 2 2 337.389 4.170 20 0 EIADLP Cc1ccccc1C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000551793228 1040607137 /nfs/dbraw/zinc/60/71/37/1040607137.db2.gz JKJFHRNJIZKLIX-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124334 1040713994 /nfs/dbraw/zinc/71/39/94/1040713994.db2.gz GVDYJBJHJWQNLM-VGOFRKELSA-N 2 2 336.479 4.032 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124334 1040714016 /nfs/dbraw/zinc/71/40/16/1040714016.db2.gz GVDYJBJHJWQNLM-VGOFRKELSA-N 2 2 336.479 4.032 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000479878750 1040745816 /nfs/dbraw/zinc/74/58/16/1040745816.db2.gz CLFBMNZNCMBQHL-OAQYLSRUSA-N 2 2 333.479 4.168 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000479878750 1040745832 /nfs/dbraw/zinc/74/58/32/1040745832.db2.gz CLFBMNZNCMBQHL-OAQYLSRUSA-N 2 2 333.479 4.168 20 0 EIADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000479862784 1040750237 /nfs/dbraw/zinc/75/02/37/1040750237.db2.gz SFCFMPYRKUOVNG-LLVKDONJSA-N 2 2 334.838 4.180 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C)CCC2 ZINC000483441246 1040861502 /nfs/dbraw/zinc/86/15/02/1040861502.db2.gz PSNDQKHMVSMSOP-WOJBJXKFSA-N 2 2 325.500 4.234 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2(c3ccccc3)CC2)CC1 ZINC000903170768 1040954308 /nfs/dbraw/zinc/95/43/08/1040954308.db2.gz MJIDJQGNROPMSK-UHFFFAOYSA-N 2 2 340.433 4.115 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000462805584 1040975576 /nfs/dbraw/zinc/97/55/76/1040975576.db2.gz HOSMQCCAFRQWFV-OAGGEKHMSA-N 2 2 343.540 4.259 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000480160302 1041017168 /nfs/dbraw/zinc/01/71/68/1041017168.db2.gz OHEJMGNNZFHAHX-LBPRGKRZSA-N 2 2 346.849 4.466 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cn1 ZINC000480164270 1041023757 /nfs/dbraw/zinc/02/37/57/1041023757.db2.gz GGHCBKBNGMODJF-BXWFABGCSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cn1 ZINC000480164270 1041023765 /nfs/dbraw/zinc/02/37/65/1041023765.db2.gz GGHCBKBNGMODJF-BXWFABGCSA-N 2 2 343.902 4.296 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000538120041 1041052331 /nfs/dbraw/zinc/05/23/31/1041052331.db2.gz LOVZNGIVIHGULT-UHFFFAOYSA-N 2 2 339.414 4.337 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000538120041 1041052350 /nfs/dbraw/zinc/05/23/50/1041052350.db2.gz LOVZNGIVIHGULT-UHFFFAOYSA-N 2 2 339.414 4.337 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000480201678 1041074421 /nfs/dbraw/zinc/07/44/21/1041074421.db2.gz QLCYOTKYFRJTLT-JKSUJKDBSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000480201678 1041074443 /nfs/dbraw/zinc/07/44/43/1041074443.db2.gz QLCYOTKYFRJTLT-JKSUJKDBSA-N 2 2 331.891 4.296 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000491286854 1041135878 /nfs/dbraw/zinc/13/58/78/1041135878.db2.gz XXJDTKVGPUXFJK-GOSISDBHSA-N 2 2 329.806 4.055 20 0 EIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000484305797 1041203389 /nfs/dbraw/zinc/20/33/89/1041203389.db2.gz IWULDKBNDLABMG-CQSZACIVSA-N 2 2 335.398 4.144 20 0 EIADLP COc1ccc2cc([C@@H](C)[NH2+]CCCNc3cccc[nH+]3)ccc2c1 ZINC000484314546 1041204116 /nfs/dbraw/zinc/20/41/16/1041204116.db2.gz WHHCJBMJMBZRSH-MRXNPFEDSA-N 2 2 335.451 4.396 20 0 EIADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523943 1041352968 /nfs/dbraw/zinc/35/29/68/1041352968.db2.gz FIAITALBFWXVCU-WOJBJXKFSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000480556220 1041391541 /nfs/dbraw/zinc/39/15/41/1041391541.db2.gz QAZGHOBZPINPMA-WOJBJXKFSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000480556220 1041391551 /nfs/dbraw/zinc/39/15/51/1041391551.db2.gz QAZGHOBZPINPMA-WOJBJXKFSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000480556220 1041391559 /nfs/dbraw/zinc/39/15/59/1041391559.db2.gz QAZGHOBZPINPMA-WOJBJXKFSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000480556220 1041391570 /nfs/dbraw/zinc/39/15/70/1041391570.db2.gz QAZGHOBZPINPMA-WOJBJXKFSA-N 2 2 342.527 4.154 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463208586 1041420437 /nfs/dbraw/zinc/42/04/37/1041420437.db2.gz XOVOXKNCPMLHOB-IFMALSPDSA-N 3 2 345.575 4.138 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463208586 1041420444 /nfs/dbraw/zinc/42/04/44/1041420444.db2.gz XOVOXKNCPMLHOB-IFMALSPDSA-N 3 2 345.575 4.138 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cc1 ZINC000538557762 1041421194 /nfs/dbraw/zinc/42/11/94/1041421194.db2.gz LWMGAINMYIUUOW-KSSFIOAISA-N 2 2 344.890 4.048 20 0 EIADLP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000554890473 1041474363 /nfs/dbraw/zinc/47/43/63/1041474363.db2.gz YVZWTVBNWDUILN-KRWDZBQOSA-N 2 2 337.442 4.181 20 0 EIADLP CC(C)c1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000463286562 1041486996 /nfs/dbraw/zinc/48/69/96/1041486996.db2.gz HQDGUNFIDZSVBM-UHFFFAOYSA-N 2 2 328.422 4.316 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720457 1041489851 /nfs/dbraw/zinc/48/98/51/1041489851.db2.gz ZUOKHHBUDKNIRF-ZFWWWQNUSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720457 1041489857 /nfs/dbraw/zinc/48/98/57/1041489857.db2.gz ZUOKHHBUDKNIRF-ZFWWWQNUSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720457 1041489863 /nfs/dbraw/zinc/48/98/63/1041489863.db2.gz ZUOKHHBUDKNIRF-ZFWWWQNUSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@@H]1C ZINC000538720457 1041489866 /nfs/dbraw/zinc/48/98/66/1041489866.db2.gz ZUOKHHBUDKNIRF-ZFWWWQNUSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720621 1041491187 /nfs/dbraw/zinc/49/11/87/1041491187.db2.gz KGRLRRNMUNPKET-BLLLJJGKSA-N 2 2 332.385 4.007 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720621 1041491191 /nfs/dbraw/zinc/49/11/91/1041491191.db2.gz KGRLRRNMUNPKET-BLLLJJGKSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720621 1041491195 /nfs/dbraw/zinc/49/11/95/1041491195.db2.gz KGRLRRNMUNPKET-BLLLJJGKSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720621 1041491200 /nfs/dbraw/zinc/49/12/00/1041491200.db2.gz KGRLRRNMUNPKET-BLLLJJGKSA-N 2 2 332.385 4.007 20 0 EIADLP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000538731745 1041506363 /nfs/dbraw/zinc/50/63/63/1041506363.db2.gz JMIBVIZZOVCSDI-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000538731745 1041506372 /nfs/dbraw/zinc/50/63/72/1041506372.db2.gz JMIBVIZZOVCSDI-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000538731745 1041506386 /nfs/dbraw/zinc/50/63/86/1041506386.db2.gz JMIBVIZZOVCSDI-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000538731745 1041506406 /nfs/dbraw/zinc/50/64/06/1041506406.db2.gz JMIBVIZZOVCSDI-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791284 /nfs/dbraw/zinc/79/12/84/1041791284.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791292 /nfs/dbraw/zinc/79/12/92/1041791292.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791300 /nfs/dbraw/zinc/79/13/00/1041791300.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791308 /nfs/dbraw/zinc/79/13/08/1041791308.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 2 2 349.569 4.084 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348326 1041898224 /nfs/dbraw/zinc/89/82/24/1041898224.db2.gz AKOZHBKJLCJWCB-AEFFLSMTSA-N 2 2 329.875 4.423 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348326 1041898225 /nfs/dbraw/zinc/89/82/25/1041898225.db2.gz AKOZHBKJLCJWCB-AEFFLSMTSA-N 2 2 329.875 4.423 20 0 EIADLP COc1ccc(CC(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000438321582 1042137934 /nfs/dbraw/zinc/13/79/34/1042137934.db2.gz FIRDWASXLGYMPF-UHFFFAOYSA-N 2 2 341.480 4.053 20 0 EIADLP CC[N@H+](CCc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806649 1042179206 /nfs/dbraw/zinc/17/92/06/1042179206.db2.gz FVWXPVNSIMIJLV-UHFFFAOYSA-N 2 2 337.511 4.171 20 0 EIADLP CC[N@@H+](CCc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806649 1042179208 /nfs/dbraw/zinc/17/92/08/1042179208.db2.gz FVWXPVNSIMIJLV-UHFFFAOYSA-N 2 2 337.511 4.171 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(CC)cc3)o2)CC1 ZINC000465011042 1042281228 /nfs/dbraw/zinc/28/12/28/1042281228.db2.gz KUVLBCQEQNBJFH-UHFFFAOYSA-N 2 2 326.484 4.473 20 0 EIADLP c1ccc(-c2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)nc1 ZINC000506340522 1042328516 /nfs/dbraw/zinc/32/85/16/1042328516.db2.gz MUYNQMHFBMMRDN-UHFFFAOYSA-N 2 2 335.495 4.199 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000174224554 1042667015 /nfs/dbraw/zinc/66/70/15/1042667015.db2.gz RGPFYXSLFAQDOO-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000174224554 1042667017 /nfs/dbraw/zinc/66/70/17/1042667017.db2.gz RGPFYXSLFAQDOO-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)c1 ZINC000237142747 1042691547 /nfs/dbraw/zinc/69/15/47/1042691547.db2.gz OLENRGHNAGJXEX-UHFFFAOYSA-N 2 2 337.511 4.128 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959105 1042881707 /nfs/dbraw/zinc/88/17/07/1042881707.db2.gz UZEODCRMBCACGD-NMNUPHIUSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959105 1042881710 /nfs/dbraw/zinc/88/17/10/1042881710.db2.gz UZEODCRMBCACGD-NMNUPHIUSA-N 2 2 349.522 4.268 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000507786831 1042937792 /nfs/dbraw/zinc/93/77/92/1042937792.db2.gz ZUPAFEMUIYJHDM-UZLBHIALSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000507786831 1042937800 /nfs/dbraw/zinc/93/78/00/1042937800.db2.gz ZUPAFEMUIYJHDM-UZLBHIALSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786831 1042937805 /nfs/dbraw/zinc/93/78/05/1042937805.db2.gz ZUPAFEMUIYJHDM-UZLBHIALSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786831 1042937812 /nfs/dbraw/zinc/93/78/12/1042937812.db2.gz ZUPAFEMUIYJHDM-UZLBHIALSA-N 2 2 326.459 4.407 20 0 EIADLP Cc1cc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccnc2)ccc1F ZINC000542471559 1042999387 /nfs/dbraw/zinc/99/93/87/1042999387.db2.gz UGYVQWFDLWGSTD-SBHAEUEKSA-N 2 2 341.474 4.081 20 0 EIADLP CC(C)Cc1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110671 1043020250 /nfs/dbraw/zinc/02/02/50/1043020250.db2.gz SVGVVHDOLCKHPP-WKILWMFISA-N 2 2 344.528 4.013 20 0 EIADLP CCCc1csc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000494152125 1043023002 /nfs/dbraw/zinc/02/30/02/1043023002.db2.gz HSSPAVDNZZIPGQ-AWEZNQCLSA-N 2 2 340.496 4.441 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000183044320 1043037916 /nfs/dbraw/zinc/03/79/16/1043037916.db2.gz VAPIAJZPANFRMB-UHFFFAOYSA-N 2 2 336.479 4.079 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935675 1043081522 /nfs/dbraw/zinc/08/15/22/1043081522.db2.gz KFDFTXITQKCDBJ-DOTOQJQBSA-N 2 2 343.902 4.161 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc2ccccc12 ZINC000391935675 1043081538 /nfs/dbraw/zinc/08/15/38/1043081538.db2.gz KFDFTXITQKCDBJ-DOTOQJQBSA-N 2 2 343.902 4.161 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000507970177 1043212495 /nfs/dbraw/zinc/21/24/95/1043212495.db2.gz ZSCABZPBWHOSFY-AQNXPRMDSA-N 2 2 344.543 4.302 20 0 EIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427866041 1043238676 /nfs/dbraw/zinc/23/86/76/1043238676.db2.gz JRWNERIKWIIESI-WBVHZDCISA-N 2 2 347.890 4.237 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2ccccc2)c1 ZINC000427865198 1043240056 /nfs/dbraw/zinc/24/00/56/1043240056.db2.gz HFFCKARAAAILRM-PXNSSMCTSA-N 2 2 347.462 4.128 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OCc1ccccc1 ZINC000427868021 1043240516 /nfs/dbraw/zinc/24/05/16/1043240516.db2.gz PWFKAAOTKCHARY-MJGOQNOKSA-N 2 2 347.462 4.128 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(ccc3ccccc23)o1 ZINC000427884390 1043249394 /nfs/dbraw/zinc/24/93/94/1043249394.db2.gz FYGKKJHYGPAQMQ-HOCLYGCPSA-N 2 2 331.419 4.448 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000766188764 1043251165 /nfs/dbraw/zinc/25/11/65/1043251165.db2.gz ADELEDNCGIFMPY-GOSISDBHSA-N 2 2 337.511 4.381 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186187906 1043253744 /nfs/dbraw/zinc/25/37/44/1043253744.db2.gz DSSNKPQTTZIBDU-SOLBZPMBSA-N 2 2 344.524 4.460 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186187906 1043253757 /nfs/dbraw/zinc/25/37/57/1043253757.db2.gz DSSNKPQTTZIBDU-SOLBZPMBSA-N 2 2 344.524 4.460 20 0 EIADLP COc1cccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000674048691 1043350671 /nfs/dbraw/zinc/35/06/71/1043350671.db2.gz ATFVRXVMVZBIQV-OXJNMPFZSA-N 2 2 335.451 4.063 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479635 1043385649 /nfs/dbraw/zinc/38/56/49/1043385649.db2.gz VYJCMLZZIVLIDK-UWJYYQICSA-N 2 2 341.474 4.164 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479635 1043385655 /nfs/dbraw/zinc/38/56/55/1043385655.db2.gz VYJCMLZZIVLIDK-UWJYYQICSA-N 2 2 341.474 4.164 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007350 1043492261 /nfs/dbraw/zinc/49/22/61/1043492261.db2.gz IXHSJDLBORGDFW-DYESRHJHSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007350 1043492272 /nfs/dbraw/zinc/49/22/72/1043492272.db2.gz IXHSJDLBORGDFW-DYESRHJHSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007590 1043492588 /nfs/dbraw/zinc/49/25/88/1043492588.db2.gz OROPCPLEIOLYDB-UTKZUKDTSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007590 1043492593 /nfs/dbraw/zinc/49/25/93/1043492593.db2.gz OROPCPLEIOLYDB-UTKZUKDTSA-N 2 2 344.474 4.186 20 0 EIADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059812 1043707563 /nfs/dbraw/zinc/70/75/63/1043707563.db2.gz HLWWTNGTUWWAFC-OAHLLOKOSA-N 2 2 333.426 4.415 20 0 EIADLP Clc1cc(Cl)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000130291443 1043728382 /nfs/dbraw/zinc/72/83/82/1043728382.db2.gz YAVNPAWWASRVNS-UHFFFAOYSA-N 2 2 336.266 4.147 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000190853447 1043744744 /nfs/dbraw/zinc/74/47/44/1043744744.db2.gz GGEKDUPHLZFEKE-UHFFFAOYSA-N 2 2 345.368 4.489 20 0 EIADLP C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442801034 1043846264 /nfs/dbraw/zinc/84/62/64/1043846264.db2.gz NXTBAURBGOGEIH-MRXNPFEDSA-N 2 2 330.435 4.247 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(O)c2)c(C)c1 ZINC000442869510 1043870758 /nfs/dbraw/zinc/87/07/58/1043870758.db2.gz BKONAGMWZZFCMP-UWJYYQICSA-N 2 2 335.451 4.298 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192151754 1043883220 /nfs/dbraw/zinc/88/32/20/1043883220.db2.gz XDWOGXVMBMLQHA-OAHLLOKOSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469762603 1044036318 /nfs/dbraw/zinc/03/63/18/1044036318.db2.gz DNRGIGKQUUPWAP-AWEZNQCLSA-N 2 2 327.378 4.044 20 0 EIADLP C[C@@H]1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H](C)C1 ZINC000766107791 1044190519 /nfs/dbraw/zinc/19/05/19/1044190519.db2.gz JSRQIKYTWPNXLQ-IRXDYDNUSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323838155 1044289732 /nfs/dbraw/zinc/28/97/32/1044289732.db2.gz JKJDRENTKCGEMY-KRWDZBQOSA-N 2 2 327.472 4.262 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348014069 1044364639 /nfs/dbraw/zinc/36/46/39/1044364639.db2.gz WJXMCZVRUMQSRY-BQFCYCMXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348014069 1044364656 /nfs/dbraw/zinc/36/46/56/1044364656.db2.gz WJXMCZVRUMQSRY-BQFCYCMXSA-N 2 2 329.513 4.013 20 0 EIADLP c1cn(C2CCCC2)nc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675640030 1044401089 /nfs/dbraw/zinc/40/10/89/1044401089.db2.gz LQYUPFHMQGCLCT-UHFFFAOYSA-N 2 2 344.547 4.086 20 0 EIADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739654 1044456442 /nfs/dbraw/zinc/45/64/42/1044456442.db2.gz PXAFDAWBMPIHNX-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2cccc(F)c2o1 ZINC000474097028 1044477290 /nfs/dbraw/zinc/47/72/90/1044477290.db2.gz PVTAQIIZDHLWPP-CQSZACIVSA-N 2 2 339.414 4.287 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000494931177 1044515575 /nfs/dbraw/zinc/51/55/75/1044515575.db2.gz QKXMTXPBWQNMLC-ZFVMOKDWSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000494931177 1044515585 /nfs/dbraw/zinc/51/55/85/1044515585.db2.gz QKXMTXPBWQNMLC-ZFVMOKDWSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931177 1044515601 /nfs/dbraw/zinc/51/56/01/1044515601.db2.gz QKXMTXPBWQNMLC-ZFVMOKDWSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931177 1044515614 /nfs/dbraw/zinc/51/56/14/1044515614.db2.gz QKXMTXPBWQNMLC-ZFVMOKDWSA-N 2 2 335.495 4.080 20 0 EIADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919195 1044559189 /nfs/dbraw/zinc/55/91/89/1044559189.db2.gz LFMVUOOBOZMSMX-FXAWDEMLSA-N 2 2 349.478 4.453 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000675918213 1044561494 /nfs/dbraw/zinc/56/14/94/1044561494.db2.gz FHFYBBNPHSAOSE-LIRRHRJNSA-N 2 2 341.405 4.333 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OC)cc1 ZINC000675922684 1044562312 /nfs/dbraw/zinc/56/23/12/1044562312.db2.gz PWVQBFZYXAVEHA-SFTDATJTSA-N 2 2 349.478 4.453 20 0 EIADLP C[C@H](CCc1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921134 1044563557 /nfs/dbraw/zinc/56/35/57/1044563557.db2.gz VXDQEXYEIVDSQX-NQIIRXRSSA-N 2 2 333.479 4.315 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000675921539 1044564592 /nfs/dbraw/zinc/56/45/92/1044564592.db2.gz YHNKYNKDTZWQFT-SFTDATJTSA-N 2 2 331.463 4.371 20 0 EIADLP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998281 1044588849 /nfs/dbraw/zinc/58/88/49/1044588849.db2.gz RJIFXYLDQBDHDQ-CEYISNLHSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998281 1044588864 /nfs/dbraw/zinc/58/88/64/1044588864.db2.gz RJIFXYLDQBDHDQ-CEYISNLHSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000494998281 1044588887 /nfs/dbraw/zinc/58/88/87/1044588887.db2.gz RJIFXYLDQBDHDQ-CEYISNLHSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000494998281 1044588903 /nfs/dbraw/zinc/58/89/03/1044588903.db2.gz RJIFXYLDQBDHDQ-CEYISNLHSA-N 2 2 347.506 4.081 20 0 EIADLP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001168477443 1044614892 /nfs/dbraw/zinc/61/48/92/1044614892.db2.gz BYWRAVIPFMDUAG-SFHVURJKSA-N 2 2 340.486 4.353 20 0 EIADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001168477443 1044614900 /nfs/dbraw/zinc/61/49/00/1044614900.db2.gz BYWRAVIPFMDUAG-SFHVURJKSA-N 2 2 340.486 4.353 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000676045684 1044626247 /nfs/dbraw/zinc/62/62/47/1044626247.db2.gz YQHLHHQOKXPBFG-GOSISDBHSA-N 2 2 343.833 4.286 20 0 EIADLP C[C@H]1CC([NH2+]Cc2noc3ccccc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025345 1044658023 /nfs/dbraw/zinc/65/80/23/1044658023.db2.gz JQMCEFRNMRYATC-IRXDYDNUSA-N 2 2 349.478 4.359 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490925 1044756621 /nfs/dbraw/zinc/75/66/21/1044756621.db2.gz VCWTWJDWWZMNQE-BBRMVZONSA-N 2 2 349.569 4.384 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490925 1044756642 /nfs/dbraw/zinc/75/66/42/1044756642.db2.gz VCWTWJDWWZMNQE-BBRMVZONSA-N 2 2 349.569 4.384 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)c[nH+]1 ZINC001168485477 1044875846 /nfs/dbraw/zinc/87/58/46/1044875846.db2.gz GAMFGWMESOSCKU-UGKGYDQZSA-N 2 2 347.462 4.130 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C)o1)C1CCCC1)CCC2 ZINC000544567689 1044925045 /nfs/dbraw/zinc/92/50/45/1044925045.db2.gz GWMJRCYLQAJSGP-HKUYNNGSSA-N 2 2 327.472 4.491 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115610583 1044963823 /nfs/dbraw/zinc/96/38/23/1044963823.db2.gz YCBORVOYXNNXOK-UHFFFAOYSA-N 2 2 334.410 4.187 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922875670 1045012172 /nfs/dbraw/zinc/01/21/72/1045012172.db2.gz OKMRLESYRQUALN-LEWJYISDSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922875670 1045012186 /nfs/dbraw/zinc/01/21/86/1045012186.db2.gz OKMRLESYRQUALN-LEWJYISDSA-N 2 2 347.506 4.246 20 0 EIADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000922885033 1045055151 /nfs/dbraw/zinc/05/51/51/1045055151.db2.gz YYKBVMLTVVTKRZ-WMQCIHAUSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000922885033 1045055168 /nfs/dbraw/zinc/05/51/68/1045055168.db2.gz YYKBVMLTVVTKRZ-WMQCIHAUSA-N 2 2 335.495 4.102 20 0 EIADLP COC1(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CCC1 ZINC000429428836 1045127525 /nfs/dbraw/zinc/12/75/25/1045127525.db2.gz JSTSQGIUZIRWFB-AZUAARDMSA-N 2 2 341.499 4.179 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000347922392 1045142768 /nfs/dbraw/zinc/14/27/68/1045142768.db2.gz OEEUACKJDZNJQA-SQNIBIBYSA-N 2 2 340.515 4.094 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174810 1045212134 /nfs/dbraw/zinc/21/21/34/1045212134.db2.gz FHUICHSOBNISOS-HMXCVIKNSA-N 2 2 336.479 4.244 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551174810 1045212141 /nfs/dbraw/zinc/21/21/41/1045212141.db2.gz FHUICHSOBNISOS-HMXCVIKNSA-N 2 2 336.479 4.244 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1Cl ZINC000246330911 1045687035 /nfs/dbraw/zinc/68/70/35/1045687035.db2.gz BHWMYAFRGIZOMF-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1Cl ZINC000246330911 1045687043 /nfs/dbraw/zinc/68/70/43/1045687043.db2.gz BHWMYAFRGIZOMF-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000247064175 1045839521 /nfs/dbraw/zinc/83/95/21/1045839521.db2.gz NZNKSPNOCAWXPN-DENIHFKCSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000247064175 1045839522 /nfs/dbraw/zinc/83/95/22/1045839522.db2.gz NZNKSPNOCAWXPN-DENIHFKCSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1Br ZINC000037786190 1046158323 /nfs/dbraw/zinc/15/83/23/1046158323.db2.gz AXAFTRFNBQDGGX-CYBMUJFWSA-N 2 2 339.321 4.363 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000793335701 1046211321 /nfs/dbraw/zinc/21/13/21/1046211321.db2.gz ICKNYZOWTJTYTQ-UHFFFAOYSA-N 2 2 344.446 4.405 20 0 EIADLP Cn1c[nH+]cc1-c1cccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170450617 1046492351 /nfs/dbraw/zinc/49/23/51/1046492351.db2.gz CTUITYOGPNSEML-UHFFFAOYSA-N 2 2 326.488 4.150 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cccc1OCC ZINC000536662516 1046627992 /nfs/dbraw/zinc/62/79/92/1046627992.db2.gz HKVDGMJRQYYLMW-PKOBYXMFSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cccc1OCC ZINC000536662516 1046628002 /nfs/dbraw/zinc/62/80/02/1046628002.db2.gz HKVDGMJRQYYLMW-PKOBYXMFSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cccc1OCC ZINC000536662516 1046628011 /nfs/dbraw/zinc/62/80/11/1046628011.db2.gz HKVDGMJRQYYLMW-PKOBYXMFSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cccc1OCC ZINC000536662516 1046628018 /nfs/dbraw/zinc/62/80/18/1046628018.db2.gz HKVDGMJRQYYLMW-PKOBYXMFSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cccc1OCC ZINC000536662515 1046628540 /nfs/dbraw/zinc/62/85/40/1046628540.db2.gz HKVDGMJRQYYLMW-MJGOQNOKSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cccc1OCC ZINC000536662515 1046628553 /nfs/dbraw/zinc/62/85/53/1046628553.db2.gz HKVDGMJRQYYLMW-MJGOQNOKSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cccc1OCC ZINC000536662515 1046628564 /nfs/dbraw/zinc/62/85/64/1046628564.db2.gz HKVDGMJRQYYLMW-MJGOQNOKSA-N 2 2 348.531 4.036 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cccc1OCC ZINC000536662515 1046628579 /nfs/dbraw/zinc/62/85/79/1046628579.db2.gz HKVDGMJRQYYLMW-MJGOQNOKSA-N 2 2 348.531 4.036 20 0 EIADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459417059 1046644100 /nfs/dbraw/zinc/64/41/00/1046644100.db2.gz ROSRLGQQWDKYFY-RTFZILSDSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459417059 1046644116 /nfs/dbraw/zinc/64/41/16/1046644116.db2.gz ROSRLGQQWDKYFY-RTFZILSDSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459417059 1046644129 /nfs/dbraw/zinc/64/41/29/1046644129.db2.gz ROSRLGQQWDKYFY-RTFZILSDSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459417059 1046644137 /nfs/dbraw/zinc/64/41/37/1046644137.db2.gz ROSRLGQQWDKYFY-RTFZILSDSA-N 2 2 349.522 4.256 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000785569955 1046721379 /nfs/dbraw/zinc/72/13/79/1046721379.db2.gz LZFWODSJUIFTOC-QZTJIDSGSA-N 2 2 329.532 4.280 20 0 EIADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CCS2 ZINC000786576858 1046852112 /nfs/dbraw/zinc/85/21/12/1046852112.db2.gz CNRJIDPKJAJRKL-FUHWJXTLSA-N 2 2 345.512 4.133 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)sc2C1 ZINC000459760164 1046873617 /nfs/dbraw/zinc/87/36/17/1046873617.db2.gz JSMZHYMDCCEONZ-CYBMUJFWSA-N 2 2 349.931 4.414 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)sc2C1 ZINC000459760164 1046873619 /nfs/dbraw/zinc/87/36/19/1046873619.db2.gz JSMZHYMDCCEONZ-CYBMUJFWSA-N 2 2 349.931 4.414 20 0 EIADLP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787295359 1046971027 /nfs/dbraw/zinc/97/10/27/1046971027.db2.gz PBEGMJKWPVGMHQ-LJQANCHMSA-N 3 2 340.515 4.179 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001170083954 1047157460 /nfs/dbraw/zinc/15/74/60/1047157460.db2.gz ZTQBDTPUJZZKGZ-RCCFBDPRSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083954 1047157435 /nfs/dbraw/zinc/15/74/35/1047157435.db2.gz ZTQBDTPUJZZKGZ-RCCFBDPRSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083954 1047157444 /nfs/dbraw/zinc/15/74/44/1047157444.db2.gz ZTQBDTPUJZZKGZ-RCCFBDPRSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001170083954 1047157452 /nfs/dbraw/zinc/15/74/52/1047157452.db2.gz ZTQBDTPUJZZKGZ-RCCFBDPRSA-N 2 2 335.561 4.254 20 0 EIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)ccc1OC ZINC000806181598 1047190605 /nfs/dbraw/zinc/19/06/05/1047190605.db2.gz YPLPRCNFQUULMH-KDOFPFPSSA-N 2 2 340.458 4.375 20 0 EIADLP CCC(CC)(C[NH2+][C@H](C)c1cc[nH]c(=O)c1)[NH2+][C@H](C)c1ccccc1 ZINC000788602991 1047243118 /nfs/dbraw/zinc/24/31/18/1047243118.db2.gz QCKZDPTVTVDCBY-IAGOWNOFSA-N 2 2 341.499 4.347 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000537455170 1047244357 /nfs/dbraw/zinc/24/43/57/1047244357.db2.gz CYBYAHCMJJPDKA-PKOBYXMFSA-N 2 2 338.499 4.012 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000537455069 1047244460 /nfs/dbraw/zinc/24/44/60/1047244460.db2.gz BAGBZEKHSSPBGN-ZBFHGGJFSA-N 2 2 344.890 4.048 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170098790 1047376924 /nfs/dbraw/zinc/37/69/24/1047376924.db2.gz XEFCSEDCIBETIM-KBXCAEBGSA-N 2 2 340.433 4.448 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556064303 1047429542 /nfs/dbraw/zinc/42/95/42/1047429542.db2.gz WKPYHWVYEBJPMJ-RBUKOAKNSA-N 2 2 344.886 4.274 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556064303 1047429565 /nfs/dbraw/zinc/42/95/65/1047429565.db2.gz WKPYHWVYEBJPMJ-RBUKOAKNSA-N 2 2 344.886 4.274 20 0 EIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCC34CCCC4)[nH+]c2)CC1 ZINC000556151129 1047504399 /nfs/dbraw/zinc/50/43/99/1047504399.db2.gz UZHLEKRRIOVBDC-IBGZPJMESA-N 2 2 342.531 4.137 20 0 EIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170730141 1047867168 /nfs/dbraw/zinc/86/71/68/1047867168.db2.gz HRSNIWURZTUAJF-LDLYASANSA-N 2 2 330.491 4.123 20 0 EIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170730142 1047867449 /nfs/dbraw/zinc/86/74/49/1047867449.db2.gz HRSNIWURZTUAJF-REPLKXPHSA-N 2 2 330.491 4.123 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)C(C)(C)C)CC2)cc1 ZINC000814296954 1047931705 /nfs/dbraw/zinc/93/17/05/1047931705.db2.gz AGLVRSUJSBMTOD-UHFFFAOYSA-N 2 2 331.548 4.383 20 0 EIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081957 1048074513 /nfs/dbraw/zinc/07/45/13/1048074513.db2.gz HFIUCJLBSNZKTC-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081957 1048074526 /nfs/dbraw/zinc/07/45/26/1048074526.db2.gz HFIUCJLBSNZKTC-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171089810 1048096971 /nfs/dbraw/zinc/09/69/71/1048096971.db2.gz BXSFNMHCZNKPHL-MRXNPFEDSA-N 2 2 339.310 4.021 20 0 EIADLP Cc1ccc(C)c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000132151102 1048213657 /nfs/dbraw/zinc/21/36/57/1048213657.db2.gz OXMVRIXLKIUJIJ-IBGZPJMESA-N 2 2 333.479 4.442 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132293743 1048252168 /nfs/dbraw/zinc/25/21/68/1048252168.db2.gz OIXRHDVWDLGOFP-KSFYIVLOSA-N 2 2 349.453 4.136 20 0 EIADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558463 1048413783 /nfs/dbraw/zinc/41/37/83/1048413783.db2.gz OQJKBSVDMXULII-OALUTQOASA-N 2 2 343.540 4.363 20 0 EIADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809558463 1048413788 /nfs/dbraw/zinc/41/37/88/1048413788.db2.gz OQJKBSVDMXULII-OALUTQOASA-N 2 2 343.540 4.363 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)s1 ZINC000809642153 1048449587 /nfs/dbraw/zinc/44/95/87/1048449587.db2.gz CUPYCYMHOORQQA-UHFFFAOYSA-N 2 2 349.931 4.238 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cncc3ccccc32)CC1 ZINC000809764453 1048524225 /nfs/dbraw/zinc/52/42/25/1048524225.db2.gz IIDWKIQOZISDPD-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cncc3ccccc32)CC1 ZINC000809764453 1048524239 /nfs/dbraw/zinc/52/42/39/1048524239.db2.gz IIDWKIQOZISDPD-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001144323475 1048589724 /nfs/dbraw/zinc/58/97/24/1048589724.db2.gz GGVZABYPJHVAQE-UHFFFAOYSA-N 2 2 334.507 4.272 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001144323475 1048589737 /nfs/dbraw/zinc/58/97/37/1048589737.db2.gz GGVZABYPJHVAQE-UHFFFAOYSA-N 2 2 334.507 4.272 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001144326721 1048599061 /nfs/dbraw/zinc/59/90/61/1048599061.db2.gz PJNYNXRDGYCXBJ-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001144326721 1048599073 /nfs/dbraw/zinc/59/90/73/1048599073.db2.gz PJNYNXRDGYCXBJ-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP FC(F)(F)c1cscc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000810140856 1048644748 /nfs/dbraw/zinc/64/47/48/1048644748.db2.gz ZDSOIDAAAWAAAN-UHFFFAOYSA-N 2 2 337.370 4.242 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001171175434 1048645321 /nfs/dbraw/zinc/64/53/21/1048645321.db2.gz KXOZOLHELITYSF-INIZCTEOSA-N 2 2 339.310 4.021 20 0 EIADLP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001144490229 1048697824 /nfs/dbraw/zinc/69/78/24/1048697824.db2.gz XIQOETCIWYBVQG-ZWKOTPCHSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001144490229 1048697829 /nfs/dbraw/zinc/69/78/29/1048697829.db2.gz XIQOETCIWYBVQG-ZWKOTPCHSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001144490229 1048697835 /nfs/dbraw/zinc/69/78/35/1048697835.db2.gz XIQOETCIWYBVQG-ZWKOTPCHSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001144490229 1048697842 /nfs/dbraw/zinc/69/78/42/1048697842.db2.gz XIQOETCIWYBVQG-ZWKOTPCHSA-N 2 2 336.907 4.187 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170601268 1048725910 /nfs/dbraw/zinc/72/59/10/1048725910.db2.gz YHOKHJKZCUYDEK-ZVDOUQERSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170601268 1048725922 /nfs/dbraw/zinc/72/59/22/1048725922.db2.gz YHOKHJKZCUYDEK-ZVDOUQERSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170601268 1048725929 /nfs/dbraw/zinc/72/59/29/1048725929.db2.gz YHOKHJKZCUYDEK-ZVDOUQERSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170601268 1048725944 /nfs/dbraw/zinc/72/59/44/1048725944.db2.gz YHOKHJKZCUYDEK-ZVDOUQERSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001170602246 1048734657 /nfs/dbraw/zinc/73/46/57/1048734657.db2.gz XUYZGYBPYORDIH-GOSISDBHSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001170602246 1048734675 /nfs/dbraw/zinc/73/46/75/1048734675.db2.gz XUYZGYBPYORDIH-GOSISDBHSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001170602246 1048734696 /nfs/dbraw/zinc/73/46/96/1048734696.db2.gz XUYZGYBPYORDIH-GOSISDBHSA-N 2 2 349.567 4.073 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001170602246 1048734721 /nfs/dbraw/zinc/73/47/21/1048734721.db2.gz XUYZGYBPYORDIH-GOSISDBHSA-N 2 2 349.567 4.073 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000076004355 1048834724 /nfs/dbraw/zinc/83/47/24/1048834724.db2.gz GZJNLPXUVROBCF-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000076004355 1048834733 /nfs/dbraw/zinc/83/47/33/1048834733.db2.gz GZJNLPXUVROBCF-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)Cn1cc[nH+]c1 ZINC000237357201 1048927640 /nfs/dbraw/zinc/92/76/40/1048927640.db2.gz BOJHNZMAETWPDL-HNNXBMFYSA-N 2 2 347.890 4.284 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000237466633 1048948815 /nfs/dbraw/zinc/94/88/15/1048948815.db2.gz XOWUKMWCRFVOSE-JTDSTZFVSA-N 2 2 344.524 4.466 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000237466633 1048948834 /nfs/dbraw/zinc/94/88/34/1048948834.db2.gz XOWUKMWCRFVOSE-JTDSTZFVSA-N 2 2 344.524 4.466 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811506572 1049121416 /nfs/dbraw/zinc/12/14/16/1049121416.db2.gz APAPGCLSUMAWGT-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnc(Cl)c2Cl)cc1 ZINC000811506572 1049121418 /nfs/dbraw/zinc/12/14/18/1049121418.db2.gz APAPGCLSUMAWGT-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3c(F)cc(F)cc3C2)c1 ZINC001171359353 1049507855 /nfs/dbraw/zinc/50/78/55/1049507855.db2.gz CQGBPQOWINHWHS-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948040 1049515686 /nfs/dbraw/zinc/51/56/86/1049515686.db2.gz ZWBPCKOXDXKJEE-IAGOWNOFSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948040 1049515700 /nfs/dbraw/zinc/51/57/00/1049515700.db2.gz ZWBPCKOXDXKJEE-IAGOWNOFSA-N 2 2 342.870 4.054 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC3CCCC3)CC2)cc1 ZINC000812824328 1049587927 /nfs/dbraw/zinc/58/79/27/1049587927.db2.gz XQXLZPCTOHXBAA-UHFFFAOYSA-N 2 2 329.532 4.281 20 0 EIADLP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000812825909 1049589141 /nfs/dbraw/zinc/58/91/41/1049589141.db2.gz QLUAZNKQIZYVKX-MSOLQXFVSA-N 2 2 329.532 4.137 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001171971379 1049834909 /nfs/dbraw/zinc/83/49/09/1049834909.db2.gz HOHHOUQWKPYNCL-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171971379 1049834910 /nfs/dbraw/zinc/83/49/10/1049834910.db2.gz HOHHOUQWKPYNCL-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001171973641 1049835677 /nfs/dbraw/zinc/83/56/77/1049835677.db2.gz MBVJSEJKLQWUMX-ZFWWWQNUSA-N 2 2 337.389 4.173 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001171973639 1049836414 /nfs/dbraw/zinc/83/64/14/1049836414.db2.gz MBVJSEJKLQWUMX-HIFRSBDPSA-N 2 2 337.389 4.173 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982467 1049839443 /nfs/dbraw/zinc/83/94/43/1049839443.db2.gz IWZYHZHKJYLVAZ-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982467 1049839447 /nfs/dbraw/zinc/83/94/47/1049839447.db2.gz IWZYHZHKJYLVAZ-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984890 1049840362 /nfs/dbraw/zinc/84/03/62/1049840362.db2.gz YNMJKHVKGJWVPF-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984890 1049840365 /nfs/dbraw/zinc/84/03/65/1049840365.db2.gz YNMJKHVKGJWVPF-UYAOXDASSA-N 2 2 337.511 4.484 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CCC3(CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987923 1049841492 /nfs/dbraw/zinc/84/14/92/1049841492.db2.gz MDKCVLFDSFLTAF-FQEVSTJZSA-N 2 2 342.527 4.075 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CCC3(CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987923 1049841493 /nfs/dbraw/zinc/84/14/93/1049841493.db2.gz MDKCVLFDSFLTAF-FQEVSTJZSA-N 2 2 342.527 4.075 20 0 EIADLP Cc1ncccc1C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088734 1049848900 /nfs/dbraw/zinc/84/89/00/1049848900.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088734 1049848904 /nfs/dbraw/zinc/84/89/04/1049848904.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088734 1049848910 /nfs/dbraw/zinc/84/89/10/1049848910.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088734 1049848914 /nfs/dbraw/zinc/84/89/14/1049848914.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000245752414 1049849295 /nfs/dbraw/zinc/84/92/95/1049849295.db2.gz OCBUQFCSZZFTCF-DOTOQJQBSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000245752414 1049849298 /nfs/dbraw/zinc/84/92/98/1049849298.db2.gz OCBUQFCSZZFTCF-DOTOQJQBSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1 ZINC000245752414 1049849300 /nfs/dbraw/zinc/84/93/00/1049849300.db2.gz OCBUQFCSZZFTCF-DOTOQJQBSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1 ZINC000245752414 1049849303 /nfs/dbraw/zinc/84/93/03/1049849303.db2.gz OCBUQFCSZZFTCF-DOTOQJQBSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1cc(C[NH+](Cc2ccccc2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC001172127978 1049853307 /nfs/dbraw/zinc/85/33/07/1049853307.db2.gz MQFVPUGWKNXNMG-ACDBMABISA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[NH+](Cc2ccccc2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)on1 ZINC001172127978 1049853309 /nfs/dbraw/zinc/85/33/09/1049853309.db2.gz MQFVPUGWKNXNMG-ACDBMABISA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccc2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)on1 ZINC001172127978 1049853312 /nfs/dbraw/zinc/85/33/12/1049853312.db2.gz MQFVPUGWKNXNMG-ACDBMABISA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)on1 ZINC001172127978 1049853313 /nfs/dbraw/zinc/85/33/13/1049853313.db2.gz MQFVPUGWKNXNMG-ACDBMABISA-N 2 2 339.483 4.001 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1c3ccccc3Oc3ccccc31)C2 ZINC001172116289 1049859372 /nfs/dbraw/zinc/85/93/72/1049859372.db2.gz GTOOZELSIHADJX-OSYLJGHBSA-N 2 2 334.463 4.487 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1c3ccccc3Oc3ccccc31)C2 ZINC001172116289 1049859373 /nfs/dbraw/zinc/85/93/73/1049859373.db2.gz GTOOZELSIHADJX-OSYLJGHBSA-N 2 2 334.463 4.487 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)[C@@H](C)C2 ZINC000245873430 1049866807 /nfs/dbraw/zinc/86/68/07/1049866807.db2.gz AEZJZJCRDDDPSR-YZZKKUAISA-N 2 2 349.522 4.439 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172359540 1049895242 /nfs/dbraw/zinc/89/52/42/1049895242.db2.gz KCLAXRZSLYCSBC-FUHIMQAGSA-N 2 2 330.516 4.074 20 0 EIADLP CC1(C)CC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC(C)(C)O1 ZINC001172656622 1049958608 /nfs/dbraw/zinc/95/86/08/1049958608.db2.gz KIEYJCBUKNDHDZ-UHFFFAOYSA-N 2 2 334.548 4.063 20 0 EIADLP CC1(C)CC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC(C)(C)O1 ZINC001172656622 1049958614 /nfs/dbraw/zinc/95/86/14/1049958614.db2.gz KIEYJCBUKNDHDZ-UHFFFAOYSA-N 2 2 334.548 4.063 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246552924 1049987871 /nfs/dbraw/zinc/98/78/71/1049987871.db2.gz BBIRXSWGMDCHPA-RWXMBLCBSA-N 2 2 329.447 4.109 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000247974869 1050038244 /nfs/dbraw/zinc/03/82/44/1050038244.db2.gz KLZAKUVVBONECR-XQFWAAQXSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000247974869 1050038250 /nfs/dbraw/zinc/03/82/50/1050038250.db2.gz KLZAKUVVBONECR-XQFWAAQXSA-N 2 2 349.522 4.002 20 0 EIADLP c1cn(-c2csc(C[NH2+]CCCSc3ccccc3)c2)c[nH+]1 ZINC001177175916 1050164446 /nfs/dbraw/zinc/16/44/46/1050164446.db2.gz RSMIFMLSJVAPHE-UHFFFAOYSA-N 2 2 329.494 4.206 20 0 EIADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC001177379112 1050199275 /nfs/dbraw/zinc/19/92/75/1050199275.db2.gz NSFNXGBQLJOGEP-UGKGYDQZSA-N 2 2 335.495 4.044 20 0 EIADLP CC[N@H+]([C@@H](C)CSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001172880833 1050223901 /nfs/dbraw/zinc/22/39/01/1050223901.db2.gz YDFGAHUMOJCTMH-AWEZNQCLSA-N 2 2 326.937 4.237 20 0 EIADLP CC[N@@H+]([C@@H](C)CSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001172880833 1050223906 /nfs/dbraw/zinc/22/39/06/1050223906.db2.gz YDFGAHUMOJCTMH-AWEZNQCLSA-N 2 2 326.937 4.237 20 0 EIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001177844419 1050315845 /nfs/dbraw/zinc/31/58/45/1050315845.db2.gz PSCACYZOWJCXPH-MOPGFXCFSA-N 2 2 336.589 4.320 20 0 EIADLP C[C@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)n1cc[nH+]c1 ZINC001177929474 1050336323 /nfs/dbraw/zinc/33/63/23/1050336323.db2.gz LOUFXPCGKAXPMK-CQSZACIVSA-N 2 2 325.437 4.029 20 0 EIADLP CC(C)[NH+](CCC[NH2+]Cc1cccc(F)c1OC(F)F)C(C)C ZINC001177948569 1050346524 /nfs/dbraw/zinc/34/65/24/1050346524.db2.gz JUBSAGZGGUXJIQ-UHFFFAOYSA-N 2 2 332.410 4.026 20 0 EIADLP Cc1cc([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001178030998 1050369616 /nfs/dbraw/zinc/36/96/16/1050369616.db2.gz UPDSJCGHWRJYND-FXAWDEMLSA-N 2 2 327.516 4.151 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc3cnccc3o2)c(C)c1 ZINC001178276088 1050426809 /nfs/dbraw/zinc/42/68/09/1050426809.db2.gz AGTOCCOCSXQCER-FQEVSTJZSA-N 2 2 346.434 4.172 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)[NH+](CC)CC)cc1 ZINC001178827219 1050563601 /nfs/dbraw/zinc/56/36/01/1050563601.db2.gz MSKZFNRJOPVQIH-HKBOAZHASA-N 2 2 332.532 4.179 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001179044657 1050615545 /nfs/dbraw/zinc/61/55/45/1050615545.db2.gz MEZMLRKTWSKRAD-CVEARBPZSA-N 2 2 344.446 4.405 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001179044657 1050615557 /nfs/dbraw/zinc/61/55/57/1050615557.db2.gz MEZMLRKTWSKRAD-CVEARBPZSA-N 2 2 344.446 4.405 20 0 EIADLP Clc1cc(C[NH2+]C2CC3(CCC3)C2)ccc1OCCn1cc[nH+]c1 ZINC001179067901 1050623742 /nfs/dbraw/zinc/62/37/42/1050623742.db2.gz ZMWFRUCVFGLNSZ-UHFFFAOYSA-N 2 2 345.874 4.038 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000093645094 1050647180 /nfs/dbraw/zinc/64/71/80/1050647180.db2.gz OCBUQFCSZZFTCF-WBVHZDCISA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000093645094 1050647195 /nfs/dbraw/zinc/64/71/95/1050647195.db2.gz OCBUQFCSZZFTCF-WBVHZDCISA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)cc1 ZINC000093645094 1050647201 /nfs/dbraw/zinc/64/72/01/1050647201.db2.gz OCBUQFCSZZFTCF-WBVHZDCISA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)cc1 ZINC000093645094 1050647208 /nfs/dbraw/zinc/64/72/08/1050647208.db2.gz OCBUQFCSZZFTCF-WBVHZDCISA-N 2 2 329.513 4.033 20 0 EIADLP c1cc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cs1 ZINC000093683613 1050658923 /nfs/dbraw/zinc/65/89/23/1050658923.db2.gz DOCHSOXVZLSRKX-OAHLLOKOSA-N 2 2 347.553 4.179 20 0 EIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cs1 ZINC000093683613 1050658929 /nfs/dbraw/zinc/65/89/29/1050658929.db2.gz DOCHSOXVZLSRKX-OAHLLOKOSA-N 2 2 347.553 4.179 20 0 EIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1F ZINC001179592671 1050726854 /nfs/dbraw/zinc/72/68/54/1050726854.db2.gz HGMZNFISZBMMPJ-UHFFFAOYSA-N 2 2 333.407 4.237 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000152745504 1050839471 /nfs/dbraw/zinc/83/94/71/1050839471.db2.gz ZXPMVTYBZGAUNX-LBPRGKRZSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)sc1Cl ZINC000152771789 1050848697 /nfs/dbraw/zinc/84/86/97/1050848697.db2.gz SEFXTPJXHJSSSV-SNVBAGLBSA-N 2 2 344.311 4.481 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792879 1051078268 /nfs/dbraw/zinc/07/82/68/1051078268.db2.gz HECMYVRDHLTDPX-SQWLQELKSA-N 2 2 347.553 4.362 20 0 EIADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792879 1051078276 /nfs/dbraw/zinc/07/82/76/1051078276.db2.gz HECMYVRDHLTDPX-SQWLQELKSA-N 2 2 347.553 4.362 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC001181115852 1051156102 /nfs/dbraw/zinc/15/61/02/1051156102.db2.gz ZISGUTRPKXSWMB-AQNXPRMDSA-N 2 2 346.584 4.407 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC001181115852 1051156113 /nfs/dbraw/zinc/15/61/13/1051156113.db2.gz ZISGUTRPKXSWMB-AQNXPRMDSA-N 2 2 346.584 4.407 20 0 EIADLP COc1ccc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC001181463543 1051232896 /nfs/dbraw/zinc/23/28/96/1051232896.db2.gz COZMOTZKAWKYOY-CNBHCMJISA-N 2 2 342.527 4.328 20 0 EIADLP COc1ccc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC001181463543 1051232912 /nfs/dbraw/zinc/23/29/12/1051232912.db2.gz COZMOTZKAWKYOY-CNBHCMJISA-N 2 2 342.527 4.328 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1Cl ZINC001181534288 1051248582 /nfs/dbraw/zinc/24/85/82/1051248582.db2.gz IMVIAUMJBVRBTI-XJKSGUPXSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1Cl ZINC001181534288 1051248591 /nfs/dbraw/zinc/24/85/91/1051248591.db2.gz IMVIAUMJBVRBTI-XJKSGUPXSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1Cl ZINC001181534288 1051248601 /nfs/dbraw/zinc/24/86/01/1051248601.db2.gz IMVIAUMJBVRBTI-XJKSGUPXSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1Cl ZINC001181534288 1051248610 /nfs/dbraw/zinc/24/86/10/1051248610.db2.gz IMVIAUMJBVRBTI-XJKSGUPXSA-N 2 2 327.299 4.218 20 0 EIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000155672353 1051444747 /nfs/dbraw/zinc/44/47/47/1051444747.db2.gz JUHBDRAFXWPKNY-OAHLLOKOSA-N 2 2 325.387 4.165 20 0 EIADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155674518 1051445132 /nfs/dbraw/zinc/44/51/32/1051445132.db2.gz VBDOBMKIMHTRCN-GOSISDBHSA-N 2 2 335.451 4.121 20 0 EIADLP Nc1cc(C(F)(F)F)c(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001175712709 1051731141 /nfs/dbraw/zinc/73/11/41/1051731141.db2.gz HTQQVQOFFRIWFG-UHFFFAOYSA-N 2 2 336.361 4.022 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001206550059 1051757295 /nfs/dbraw/zinc/75/72/95/1051757295.db2.gz UMTOOMKURDMAEJ-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001206550059 1051757301 /nfs/dbraw/zinc/75/73/01/1051757301.db2.gz UMTOOMKURDMAEJ-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291876 1051823278 /nfs/dbraw/zinc/82/32/78/1051823278.db2.gz FNWVRNMUROEPAY-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291876 1051823281 /nfs/dbraw/zinc/82/32/81/1051823281.db2.gz FNWVRNMUROEPAY-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291876 1051823288 /nfs/dbraw/zinc/82/32/88/1051823288.db2.gz FNWVRNMUROEPAY-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cncc(Cl)c3)C2)s1 ZINC000621291876 1051823296 /nfs/dbraw/zinc/82/32/96/1051823296.db2.gz FNWVRNMUROEPAY-OAHLLOKOSA-N 2 2 349.931 4.059 20 0 EIADLP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000621342802 1051836367 /nfs/dbraw/zinc/83/63/67/1051836367.db2.gz KKPNJSYRLAORFP-MRXNPFEDSA-N 2 2 343.540 4.411 20 0 EIADLP CC1(c2ccccc2)CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001183498194 1051855264 /nfs/dbraw/zinc/85/52/64/1051855264.db2.gz DRWFPXUOQGNWTE-ORFBVSJDSA-N 2 2 331.463 4.334 20 0 EIADLP c1cn(CCCC2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)c[nH+]1 ZINC001193336392 1051904602 /nfs/dbraw/zinc/90/46/02/1051904602.db2.gz PROGHNLHORHKJS-FQEVSTJZSA-N 2 2 345.531 4.115 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000159215741 1051947071 /nfs/dbraw/zinc/94/70/71/1051947071.db2.gz KRPFYSWOFNEXSN-KRWDZBQOSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000159297001 1051971681 /nfs/dbraw/zinc/97/16/81/1051971681.db2.gz KBVPDLVLSDTUQP-BLIXFSHQSA-N 2 2 326.459 4.182 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC[N@H+]1C ZINC000159297001 1051971689 /nfs/dbraw/zinc/97/16/89/1051971689.db2.gz KBVPDLVLSDTUQP-BLIXFSHQSA-N 2 2 326.459 4.182 20 0 EIADLP C[NH+](C)Cc1ccc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc1 ZINC001176289275 1051979998 /nfs/dbraw/zinc/97/99/98/1051979998.db2.gz GJJWYJLRHCMHSI-UHFFFAOYSA-N 2 2 342.443 4.234 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001184364437 1051995928 /nfs/dbraw/zinc/99/59/28/1051995928.db2.gz SGYLIOYBOATJHT-UHFFFAOYSA-N 2 2 346.887 4.063 20 0 EIADLP FC(F)(F)c1sccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000623398516 1052646844 /nfs/dbraw/zinc/64/68/44/1052646844.db2.gz HZTSNPQBARYVAZ-UHFFFAOYSA-N 2 2 329.391 4.144 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932953 1052694413 /nfs/dbraw/zinc/69/44/13/1052694413.db2.gz FYPCCYAEKTXVSG-AOMKIAJQSA-N 2 2 349.453 4.484 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177936949 1052695274 /nfs/dbraw/zinc/69/52/74/1052695274.db2.gz QIUHPKWNAJDMRD-OAHLLOKOSA-N 2 2 325.481 4.406 20 0 EIADLP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000623698335 1052712013 /nfs/dbraw/zinc/71/20/13/1052712013.db2.gz YUPIHRKFVXUHKB-UHFFFAOYSA-N 2 2 330.385 4.064 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000349408205 1052716956 /nfs/dbraw/zinc/71/69/56/1052716956.db2.gz JILLEMYSLXMJEC-SVMVAKDDSA-N 2 2 348.494 4.214 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000180423973 1052799890 /nfs/dbraw/zinc/79/98/90/1052799890.db2.gz FUXRTBZFAITBMS-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000180423973 1052799892 /nfs/dbraw/zinc/79/98/92/1052799892.db2.gz FUXRTBZFAITBMS-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423973 1052799895 /nfs/dbraw/zinc/79/98/95/1052799895.db2.gz FUXRTBZFAITBMS-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423973 1052799898 /nfs/dbraw/zinc/79/98/98/1052799898.db2.gz FUXRTBZFAITBMS-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCCn1cc[nH+]c1 ZINC000623870148 1052831114 /nfs/dbraw/zinc/83/11/14/1052831114.db2.gz QTMJYPCZQRFFDD-SFHVURJKSA-N 2 2 342.874 4.465 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)[C@@H]1c1cccs1 ZINC000623898723 1052832466 /nfs/dbraw/zinc/83/24/66/1052832466.db2.gz PBOOQDKGLIDODP-QWQRMKEZSA-N 2 2 347.553 4.255 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)[C@@H]1c1cccs1 ZINC000623898723 1052832469 /nfs/dbraw/zinc/83/24/69/1052832469.db2.gz PBOOQDKGLIDODP-QWQRMKEZSA-N 2 2 347.553 4.255 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623903329 1052834040 /nfs/dbraw/zinc/83/40/40/1052834040.db2.gz CGQZOJHGDAILDI-GUYCJALGSA-N 2 2 338.480 4.365 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000623985818 1052844101 /nfs/dbraw/zinc/84/41/01/1052844101.db2.gz DAAMLVXDLIBTMZ-DKSSEZFCSA-N 2 2 345.487 4.099 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000623985992 1052844308 /nfs/dbraw/zinc/84/43/08/1052844308.db2.gz IFNFDZVLIMEYDW-SJCJKPOMSA-N 2 2 340.858 4.069 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068447 1052861277 /nfs/dbraw/zinc/86/12/77/1052861277.db2.gz WHNZLLUVGVNTAY-ZHNGQKSSSA-N 2 2 349.522 4.074 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068447 1052861279 /nfs/dbraw/zinc/86/12/79/1052861279.db2.gz WHNZLLUVGVNTAY-ZHNGQKSSSA-N 2 2 349.522 4.074 20 0 EIADLP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sc1C ZINC000361420919 1052951927 /nfs/dbraw/zinc/95/19/27/1052951927.db2.gz QBZSSYGJJCTQLK-YQQQUEKLSA-N 2 2 341.524 4.045 20 0 EIADLP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000361420919 1052951932 /nfs/dbraw/zinc/95/19/32/1052951932.db2.gz QBZSSYGJJCTQLK-YQQQUEKLSA-N 2 2 341.524 4.045 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668792 1053020635 /nfs/dbraw/zinc/02/06/35/1053020635.db2.gz HBDIEUQOJYXONK-GJZGRUSLSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668792 1053020638 /nfs/dbraw/zinc/02/06/38/1053020638.db2.gz HBDIEUQOJYXONK-GJZGRUSLSA-N 2 2 335.561 4.183 20 0 EIADLP Cc1cc(C2CC[NH2+]CC2)ccc1-c1cccc(Cn2cc[nH+]c2)c1 ZINC000863690171 1053068699 /nfs/dbraw/zinc/06/86/99/1053068699.db2.gz MEBYLBOVADTRHF-UHFFFAOYSA-N 2 2 331.463 4.374 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850424208 1053196800 /nfs/dbraw/zinc/19/68/00/1053196800.db2.gz GXGKSYNOCNDVQL-QGZVFWFLSA-N 2 2 347.462 4.107 20 0 EIADLP Clc1cnccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383811170 1053392422 /nfs/dbraw/zinc/39/24/22/1053392422.db2.gz VLVHWJMETYWFML-GOSISDBHSA-N 2 2 343.902 4.127 20 0 EIADLP Clc1cnccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383811170 1053392434 /nfs/dbraw/zinc/39/24/34/1053392434.db2.gz VLVHWJMETYWFML-GOSISDBHSA-N 2 2 343.902 4.127 20 0 EIADLP Fc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)s2)cc1 ZINC000079923455 1053395625 /nfs/dbraw/zinc/39/56/25/1053395625.db2.gz GVWKVGYFWLMYFV-UHFFFAOYSA-N 2 2 329.444 4.321 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250357 1053476759 /nfs/dbraw/zinc/47/67/59/1053476759.db2.gz LETKIZGEVAYEDP-JTDSTZFVSA-N 2 2 329.488 4.088 20 0 EIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000765250386 1053476804 /nfs/dbraw/zinc/47/68/04/1053476804.db2.gz LTBXLBATFGCMEN-IAQYHMDHSA-N 2 2 325.378 4.066 20 0 EIADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765347974 1053512119 /nfs/dbraw/zinc/51/21/19/1053512119.db2.gz IDHQXZSQUJDSRC-IAGOWNOFSA-N 2 2 329.532 4.136 20 0 EIADLP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000865509873 1053529891 /nfs/dbraw/zinc/52/98/91/1053529891.db2.gz UWSRXXLRJCQNQP-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866247622 1053664497 /nfs/dbraw/zinc/66/44/97/1053664497.db2.gz WKHDURAIIBRNNK-FPOVZHCZSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866247622 1053664503 /nfs/dbraw/zinc/66/45/03/1053664503.db2.gz WKHDURAIIBRNNK-FPOVZHCZSA-N 2 2 342.458 4.088 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001196991906 1053819010 /nfs/dbraw/zinc/81/90/10/1053819010.db2.gz IOBBWYNOFMAETK-QGZVFWFLSA-N 2 2 337.389 4.222 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001196991906 1053819011 /nfs/dbraw/zinc/81/90/11/1053819011.db2.gz IOBBWYNOFMAETK-QGZVFWFLSA-N 2 2 337.389 4.222 20 0 EIADLP Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000776767375 1053862390 /nfs/dbraw/zinc/86/23/90/1053862390.db2.gz XICVDVOSMDQVQE-KRWDZBQOSA-N 2 2 341.499 4.175 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC001198967720 1054314614 /nfs/dbraw/zinc/31/46/14/1054314614.db2.gz BZNJKGZGBBDBFQ-AVKJRPAMSA-N 2 2 342.433 4.405 20 0 EIADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001199822656 1054481074 /nfs/dbraw/zinc/48/10/74/1054481074.db2.gz JKDVGIUXBWMNQE-QFIPXVFZSA-N 2 2 336.523 4.489 20 0 EIADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001199822656 1054481083 /nfs/dbraw/zinc/48/10/83/1054481083.db2.gz JKDVGIUXBWMNQE-QFIPXVFZSA-N 2 2 336.523 4.489 20 0 EIADLP CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000873163770 1054497301 /nfs/dbraw/zinc/49/73/01/1054497301.db2.gz USHILCBDWGJKLX-UHFFFAOYSA-N 2 2 341.480 4.401 20 0 EIADLP Clc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1Cl ZINC001200921939 1054578154 /nfs/dbraw/zinc/57/81/54/1054578154.db2.gz JUYXQTJDVZIXCT-UHFFFAOYSA-N 2 2 327.299 4.490 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000671716042 1054620339 /nfs/dbraw/zinc/62/03/39/1054620339.db2.gz CYVNASDEODPJFI-IBGZPJMESA-N 2 2 331.419 4.240 20 0 EIADLP c1cc(-c2ccc3c(C4C[NH+](C[C@@H]5CC=CCC5)C4)[nH+]cn3c2)co1 ZINC001201416860 1054793418 /nfs/dbraw/zinc/79/34/18/1054793418.db2.gz PRUONGFJFWOUCC-MRXNPFEDSA-N 2 2 333.435 4.350 20 0 EIADLP CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201485504 1054813846 /nfs/dbraw/zinc/81/38/46/1054813846.db2.gz IELXSOJTOBLFDD-GOSISDBHSA-N 2 2 346.563 4.266 20 0 EIADLP CC(C)=CCC[C@@H](C)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201485504 1054813848 /nfs/dbraw/zinc/81/38/48/1054813848.db2.gz IELXSOJTOBLFDD-GOSISDBHSA-N 2 2 346.563 4.266 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488186 1054816712 /nfs/dbraw/zinc/81/67/12/1054816712.db2.gz WZAFSCMEDCIIJN-FHWLQOOXSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488186 1054816717 /nfs/dbraw/zinc/81/67/17/1054816717.db2.gz WZAFSCMEDCIIJN-FHWLQOOXSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201488186 1054816722 /nfs/dbraw/zinc/81/67/22/1054816722.db2.gz WZAFSCMEDCIIJN-FHWLQOOXSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201488186 1054816729 /nfs/dbraw/zinc/81/67/29/1054816729.db2.gz WZAFSCMEDCIIJN-FHWLQOOXSA-N 2 2 347.572 4.422 20 0 EIADLP CCCCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001203972036 1054852397 /nfs/dbraw/zinc/85/23/97/1054852397.db2.gz HKYFWWODCUYZOB-UHFFFAOYSA-N 2 2 330.516 4.316 20 0 EIADLP COc1ccc(C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001201600807 1054861595 /nfs/dbraw/zinc/86/15/95/1054861595.db2.gz ODLITZXYILMBHY-NRFANRHFSA-N 2 2 349.478 4.348 20 0 EIADLP CCCCCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201753909 1054896255 /nfs/dbraw/zinc/89/62/55/1054896255.db2.gz FHMRUWRRZFQURB-UHFFFAOYSA-N 2 2 336.277 4.076 20 0 EIADLP Cc1cc(Cl)nc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001202118052 1055041523 /nfs/dbraw/zinc/04/15/23/1055041523.db2.gz BWTABZXJPIJEMW-UHFFFAOYSA-N 2 2 345.918 4.291 20 0 EIADLP Cc1cc(Cl)nc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001202118052 1055041538 /nfs/dbraw/zinc/04/15/38/1055041538.db2.gz BWTABZXJPIJEMW-UHFFFAOYSA-N 2 2 345.918 4.291 20 0 EIADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072756428 1055147809 /nfs/dbraw/zinc/14/78/09/1055147809.db2.gz ABKZLIYEFFSIPE-YADHBBJMSA-N 2 2 347.462 4.191 20 0 EIADLP CC(C)Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000161940720 1055182969 /nfs/dbraw/zinc/18/29/69/1055182969.db2.gz ILKCZPOOEDJUJM-UHFFFAOYSA-N 2 2 343.540 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194977 1056239247 /nfs/dbraw/zinc/23/92/47/1056239247.db2.gz MFARGNZYEVXCSU-ARAOSMHQSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194977 1056239277 /nfs/dbraw/zinc/23/92/77/1056239277.db2.gz MFARGNZYEVXCSU-ARAOSMHQSA-N 2 2 332.454 4.350 20 0 EIADLP FC(F)(F)C1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072928479 1056512832 /nfs/dbraw/zinc/51/28/32/1056512832.db2.gz UPNCMKCKLRQDNY-UHFFFAOYSA-N 2 2 337.389 4.331 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CCC(C(F)(F)F)CC1 ZINC000354462641 1056517167 /nfs/dbraw/zinc/51/71/67/1056517167.db2.gz ITVZVFLEPRLLGQ-LQULJDIASA-N 2 2 329.410 4.107 20 0 EIADLP C[C@H](CSC(C)(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304522 1059361274 /nfs/dbraw/zinc/36/12/74/1059361274.db2.gz NPPYFNODJMBYGT-NVXWUHKLSA-N 2 2 331.529 4.214 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000379623960 1060134224 /nfs/dbraw/zinc/13/42/24/1060134224.db2.gz IURMUYREFFPKMB-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000379623960 1060134250 /nfs/dbraw/zinc/13/42/50/1060134250.db2.gz IURMUYREFFPKMB-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP COc1ccc2cc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc2c1 ZINC001169143925 1060663061 /nfs/dbraw/zinc/66/30/61/1060663061.db2.gz QWFZEUSTOOOZIH-OXJNMPFZSA-N 2 2 327.472 4.199 20 0 EIADLP COc1ccc2cc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc2c1 ZINC001169143922 1060663083 /nfs/dbraw/zinc/66/30/83/1060663083.db2.gz QWFZEUSTOOOZIH-JXFKEZNVSA-N 2 2 327.472 4.199 20 0 EIADLP CC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001169270675 1060754928 /nfs/dbraw/zinc/75/49/28/1060754928.db2.gz JDXIJTHERKDHCM-FXAWDEMLSA-N 2 2 349.950 4.020 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(Cn2cc[nH+]c2)cc1 ZINC001169692992 1060901632 /nfs/dbraw/zinc/90/16/32/1060901632.db2.gz UUKQSEWUFQVLOS-FQEVSTJZSA-N 2 2 332.451 4.172 20 0 EIADLP C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532205862 1032074676 /nfs/dbraw/zinc/07/46/76/1032074676.db2.gz VLADTKNYNXKGCK-INIZCTEOSA-N 2 2 339.414 4.131 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000532203429 1032088459 /nfs/dbraw/zinc/08/84/59/1032088459.db2.gz WIBLSWYUAIABSK-DLBZAZTESA-N 2 2 337.389 4.218 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000532203431 1032089440 /nfs/dbraw/zinc/08/94/40/1032089440.db2.gz WIBLSWYUAIABSK-IRXDYDNUSA-N 2 2 337.389 4.218 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000532210697 1032090770 /nfs/dbraw/zinc/09/07/70/1032090770.db2.gz IEUHHDSTKVHYKC-DYESRHJHSA-N 2 2 338.495 4.200 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532243398 1032124077 /nfs/dbraw/zinc/12/40/77/1032124077.db2.gz NCEPMMIYEXEGLK-DZGCQCFKSA-N 2 2 333.863 4.082 20 0 EIADLP C[NH+](Cc1ccoc1)Cc1cc(C[N@H+](C)Cc2ccoc2)ccc1F ZINC000450291404 1032404137 /nfs/dbraw/zinc/40/41/37/1032404137.db2.gz VDMJTTLPRGDVQT-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccoc1)Cc1cc(C[N@@H+](C)Cc2ccoc2)ccc1F ZINC000450291404 1032404148 /nfs/dbraw/zinc/40/41/48/1032404148.db2.gz VDMJTTLPRGDVQT-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccoc1)Cc1ccc(F)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000450291404 1032404159 /nfs/dbraw/zinc/40/41/59/1032404159.db2.gz VDMJTTLPRGDVQT-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccoc1)Cc1ccc(F)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000450291404 1032404167 /nfs/dbraw/zinc/40/41/67/1032404167.db2.gz VDMJTTLPRGDVQT-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)COCc1ccccc1 ZINC000389899376 1032427252 /nfs/dbraw/zinc/42/72/52/1032427252.db2.gz ARXSPZCSYSOHDD-OALUTQOASA-N 2 2 349.478 4.376 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C2CC(F)(F)C2)c(C)c1 ZINC000529547311 1032437428 /nfs/dbraw/zinc/43/74/28/1032437428.db2.gz WWYUBYAGDXAGDQ-MAUKXSAKSA-N 2 2 333.426 4.265 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000432732336 1032618758 /nfs/dbraw/zinc/61/87/58/1032618758.db2.gz ULUNTBFRAKJAHD-YPMHNXCESA-N 2 2 329.391 4.047 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000432732336 1032618767 /nfs/dbraw/zinc/61/87/67/1032618767.db2.gz ULUNTBFRAKJAHD-YPMHNXCESA-N 2 2 329.391 4.047 20 0 EIADLP CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000163679831 1032676031 /nfs/dbraw/zinc/67/60/31/1032676031.db2.gz ALOMFHSNBXAENC-QFIPXVFZSA-N 2 2 338.495 4.150 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000375591753 1019286681 /nfs/dbraw/zinc/28/66/81/1019286681.db2.gz OQZIRQTZSCWVJA-PGRDOPGGSA-N 2 2 346.478 4.142 20 0 EIADLP Fc1ccc([C@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000275572617 1020828895 /nfs/dbraw/zinc/82/88/95/1020828895.db2.gz BBBRZQYUQFCKHB-PXNSSMCTSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849031 1021016512 /nfs/dbraw/zinc/01/65/12/1021016512.db2.gz OWJJIFSLLQYGQJ-WTOYTKOKSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849031 1021016517 /nfs/dbraw/zinc/01/65/17/1021016517.db2.gz OWJJIFSLLQYGQJ-WTOYTKOKSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059979 1021586241 /nfs/dbraw/zinc/58/62/41/1021586241.db2.gz JSXSFOISMNNZTG-HRAATJIYSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059979 1021586244 /nfs/dbraw/zinc/58/62/44/1021586244.db2.gz JSXSFOISMNNZTG-HRAATJIYSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059979 1021586247 /nfs/dbraw/zinc/58/62/47/1021586247.db2.gz JSXSFOISMNNZTG-HRAATJIYSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059979 1021586250 /nfs/dbraw/zinc/58/62/50/1021586250.db2.gz JSXSFOISMNNZTG-HRAATJIYSA-N 2 2 326.459 4.265 20 0 EIADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683819213 1021696707 /nfs/dbraw/zinc/69/67/07/1021696707.db2.gz OIMDCWYVUSOHDE-ZNLUXHQJSA-N 2 2 349.478 4.070 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1csc(-c2ccccc2)n1 ZINC000414071503 1021800578 /nfs/dbraw/zinc/80/05/78/1021800578.db2.gz LXOAWHAZJWLQNS-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000414073549 1021806360 /nfs/dbraw/zinc/80/63/60/1021806360.db2.gz VZBZUNLGTVXPMS-RTBURBONSA-N 2 2 341.499 4.003 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414171551 1022015163 /nfs/dbraw/zinc/01/51/63/1022015163.db2.gz XJAIWFDCLAPWNX-OIISXLGYSA-N 2 2 329.875 4.236 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)CCC2 ZINC000377943137 1022129723 /nfs/dbraw/zinc/12/97/23/1022129723.db2.gz CFIUHPXBBSVJMG-ZFWWWQNUSA-N 2 2 348.288 4.182 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1Br ZINC000125888818 1022197208 /nfs/dbraw/zinc/19/72/08/1022197208.db2.gz WOEYHGICRDZGTI-QGZVFWFLSA-N 2 2 339.321 4.363 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471593617 1022199795 /nfs/dbraw/zinc/19/97/95/1022199795.db2.gz MJBLPSVVUAWZAB-XYJFISCASA-N 2 2 344.524 4.318 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471593617 1022199803 /nfs/dbraw/zinc/19/98/03/1022199803.db2.gz MJBLPSVVUAWZAB-XYJFISCASA-N 2 2 344.524 4.318 20 0 EIADLP Clc1cscc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684026803 1022377143 /nfs/dbraw/zinc/37/71/43/1022377143.db2.gz OUGBYWJGHMQFBF-UHFFFAOYSA-N 2 2 335.904 4.314 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CC(C)(C)Oc3cc(F)ccc31)CCC2 ZINC000378185154 1022485852 /nfs/dbraw/zinc/48/58/52/1022485852.db2.gz RPYADBAGRUPXOA-RHSMWYFYSA-N 2 2 343.446 4.100 20 0 EIADLP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C ZINC000893201408 1022670955 /nfs/dbraw/zinc/67/09/55/1022670955.db2.gz UYFDQOYFUWOXFH-IBGZPJMESA-N 2 2 337.511 4.056 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1)CCC2 ZINC000414357435 1022709710 /nfs/dbraw/zinc/70/97/10/1022709710.db2.gz JLZDZQOMZGNNCM-HNNXBMFYSA-N 2 2 337.389 4.186 20 0 EIADLP Cc1cc(CNc2cc[nH+]c3cc(F)ccc23)cc(N2CCCC2)[nH+]1 ZINC000685923982 1022804473 /nfs/dbraw/zinc/80/44/73/1022804473.db2.gz BKPYHNIQRLPDBT-UHFFFAOYSA-N 2 2 336.414 4.290 20 0 EIADLP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000581291059 1022971855 /nfs/dbraw/zinc/97/18/55/1022971855.db2.gz VJDGIAAQBZXWKD-PKOBYXMFSA-N 2 2 331.891 4.318 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338347 1023044102 /nfs/dbraw/zinc/04/41/02/1023044102.db2.gz GSQXCDLQTAKUPO-MAUKXSAKSA-N 2 2 344.886 4.188 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338347 1023044126 /nfs/dbraw/zinc/04/41/26/1023044126.db2.gz GSQXCDLQTAKUPO-MAUKXSAKSA-N 2 2 344.886 4.188 20 0 EIADLP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000543867557 1023160077 /nfs/dbraw/zinc/16/00/77/1023160077.db2.gz YSQIRHIHSHUKMJ-UWVAXJGDSA-N 2 2 327.472 4.118 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(F)c2F)cc1 ZINC000086279257 1023172284 /nfs/dbraw/zinc/17/22/84/1023172284.db2.gz CMTRYVIWJCODMS-ZDUSSCGKSA-N 2 2 327.378 4.310 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000163692585 1023397459 /nfs/dbraw/zinc/39/74/59/1023397459.db2.gz VYAFOVKHQXOODM-MRXNPFEDSA-N 2 2 344.524 4.048 20 0 EIADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)on2)cc1 ZINC000157277441 1023398286 /nfs/dbraw/zinc/39/82/86/1023398286.db2.gz RSXXRORRYCUGSM-LJQANCHMSA-N 2 2 339.483 4.100 20 0 EIADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)on2)cc1 ZINC000157277441 1023398293 /nfs/dbraw/zinc/39/82/93/1023398293.db2.gz RSXXRORRYCUGSM-LJQANCHMSA-N 2 2 339.483 4.100 20 0 EIADLP Brc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415077330 1023422843 /nfs/dbraw/zinc/42/28/43/1023422843.db2.gz HNWWSUCVFNDHJN-WMZOPIPTSA-N 2 2 345.284 4.032 20 0 EIADLP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000341342472 1023584511 /nfs/dbraw/zinc/58/45/11/1023584511.db2.gz BBNZBAOMCHOXMD-UHFFFAOYSA-N 2 2 341.842 4.214 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000581694122 1023616052 /nfs/dbraw/zinc/61/60/52/1023616052.db2.gz DQUJHQQJBNZHSQ-UHFFFAOYSA-N 2 2 329.831 4.319 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000581694122 1023616055 /nfs/dbraw/zinc/61/60/55/1023616055.db2.gz DQUJHQQJBNZHSQ-UHFFFAOYSA-N 2 2 329.831 4.319 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000377718008 1023709781 /nfs/dbraw/zinc/70/97/81/1023709781.db2.gz IKNSDUZGVXZQTE-LJQANCHMSA-N 2 2 334.467 4.219 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000377718008 1023709787 /nfs/dbraw/zinc/70/97/87/1023709787.db2.gz IKNSDUZGVXZQTE-LJQANCHMSA-N 2 2 334.467 4.219 20 0 EIADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)s1 ZINC000377783686 1023758165 /nfs/dbraw/zinc/75/81/65/1023758165.db2.gz FMRYBHPXYFPFKH-ACJLOTCBSA-N 2 2 349.931 4.105 20 0 EIADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)s1 ZINC000377783686 1023758174 /nfs/dbraw/zinc/75/81/74/1023758174.db2.gz FMRYBHPXYFPFKH-ACJLOTCBSA-N 2 2 349.931 4.105 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000893079247 1023762821 /nfs/dbraw/zinc/76/28/21/1023762821.db2.gz HXNWUYWSWVPCKV-PZJWPPBQSA-N 2 2 331.463 4.024 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1Cl ZINC000377798102 1023763297 /nfs/dbraw/zinc/76/32/97/1023763297.db2.gz DHVBYXRIAIRQRS-SJKOYZFVSA-N 2 2 336.266 4.315 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000377798056 1023763413 /nfs/dbraw/zinc/76/34/13/1023763413.db2.gz CWRLETJWISCUQD-MJGOQNOKSA-N 2 2 335.451 4.170 20 0 EIADLP C[NH+](C)Cc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC000341470823 1023806369 /nfs/dbraw/zinc/80/63/69/1023806369.db2.gz BOGYYJFNXUMHRR-UHFFFAOYSA-N 2 2 346.887 4.261 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000430729776 1023980372 /nfs/dbraw/zinc/98/03/72/1023980372.db2.gz HPEUBZZJSVHVTF-UGNRZPKXSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678778 1024010915 /nfs/dbraw/zinc/01/09/15/1024010915.db2.gz DBQJUORYQBCBRP-UHFFFAOYSA-N 2 2 337.511 4.268 20 0 EIADLP C[C@@H]([NH2+]CCSCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000430779960 1024037487 /nfs/dbraw/zinc/03/74/87/1024037487.db2.gz HSMGVVGKCWNMFC-QGZVFWFLSA-N 2 2 337.492 4.456 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549523868 1024117263 /nfs/dbraw/zinc/11/72/63/1024117263.db2.gz YWZWGBUXEDMORZ-HSQYWUDLSA-N 2 2 331.463 4.213 20 0 EIADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(Cl)c1 ZINC000651724870 1024276333 /nfs/dbraw/zinc/27/63/33/1024276333.db2.gz KEURVOLFXLCUDN-IBGZPJMESA-N 2 2 339.870 4.456 20 0 EIADLP CC(C)[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000276814213 1024332836 /nfs/dbraw/zinc/33/28/36/1024332836.db2.gz ADETYAUHYDUGOX-PXNSSMCTSA-N 2 2 347.572 4.159 20 0 EIADLP Clc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000661788562 1024508199 /nfs/dbraw/zinc/50/81/99/1024508199.db2.gz QABNDDXVGAKZBJ-GOSISDBHSA-N 2 2 343.883 4.246 20 0 EIADLP Clc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000661788562 1024508212 /nfs/dbraw/zinc/50/82/12/1024508212.db2.gz QABNDDXVGAKZBJ-GOSISDBHSA-N 2 2 343.883 4.246 20 0 EIADLP CC(C)CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648789 1024830194 /nfs/dbraw/zinc/83/01/94/1024830194.db2.gz CSRCNAKSQFWBHC-UHFFFAOYSA-N 2 2 327.472 4.145 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000535685588 1024883461 /nfs/dbraw/zinc/88/34/61/1024883461.db2.gz KKVVNHCWLDNCME-IBGZPJMESA-N 2 2 341.886 4.371 20 0 EIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1F ZINC000161562076 1025057292 /nfs/dbraw/zinc/05/72/92/1025057292.db2.gz QNZYHGRUZQJEQE-MRXNPFEDSA-N 2 2 335.854 4.295 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)F)c1 ZINC000121348454 1025206719 /nfs/dbraw/zinc/20/67/19/1025206719.db2.gz QMTZOHTWMNYNIN-AWEZNQCLSA-N 2 2 347.409 4.003 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000121368718 1025212285 /nfs/dbraw/zinc/21/22/85/1025212285.db2.gz ZMTOCXBDGIQXNN-AWEZNQCLSA-N 2 2 349.400 4.420 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000151329052 1025282580 /nfs/dbraw/zinc/28/25/80/1025282580.db2.gz YBTFFNXPNNYTET-OAQYLSRUSA-N 2 2 335.451 4.181 20 0 EIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000151325263 1025283812 /nfs/dbraw/zinc/28/38/12/1025283812.db2.gz WGFADTUIDWKIAH-LJQANCHMSA-N 2 2 335.451 4.328 20 0 EIADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151658728 1025398518 /nfs/dbraw/zinc/39/85/18/1025398518.db2.gz HHFZVZCGFMJEDX-HOTGVXAUSA-N 2 2 348.450 4.243 20 0 EIADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc4ccccc43)CC2)c1 ZINC000519191596 1025572521 /nfs/dbraw/zinc/57/25/21/1025572521.db2.gz GQUADNZWPCLHRK-QGZVFWFLSA-N 2 2 347.462 4.127 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)o1 ZINC000365344570 1025862558 /nfs/dbraw/zinc/86/25/58/1025862558.db2.gz OGWAKFUOUYAFOE-JKSUJKDBSA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000187708653 1025886358 /nfs/dbraw/zinc/88/63/58/1025886358.db2.gz GCGMZQOPIADVHR-OAHLLOKOSA-N 2 2 345.712 4.237 20 0 EIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000187773144 1025892862 /nfs/dbraw/zinc/89/28/62/1025892862.db2.gz WSJSILCPOQYDLW-PZJWPPBQSA-N 2 2 335.495 4.051 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000344033204 1025893262 /nfs/dbraw/zinc/89/32/62/1025893262.db2.gz ZNEOQIRAOCLSOR-GHTZIAJQSA-N 2 2 326.484 4.047 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000344033204 1025893263 /nfs/dbraw/zinc/89/32/63/1025893263.db2.gz ZNEOQIRAOCLSOR-GHTZIAJQSA-N 2 2 326.484 4.047 20 0 EIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536106 1025985162 /nfs/dbraw/zinc/98/51/62/1025985162.db2.gz YGSWURMCXOFGCC-RBUKOAKNSA-N 2 2 333.520 4.113 20 0 EIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167536106 1025985184 /nfs/dbraw/zinc/98/51/84/1025985184.db2.gz YGSWURMCXOFGCC-RBUKOAKNSA-N 2 2 333.520 4.113 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001207275089 1025990174 /nfs/dbraw/zinc/99/01/74/1025990174.db2.gz JODPDTSGZITHQH-INIZCTEOSA-N 2 2 339.321 4.174 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001207275089 1025990181 /nfs/dbraw/zinc/99/01/81/1025990181.db2.gz JODPDTSGZITHQH-INIZCTEOSA-N 2 2 339.321 4.174 20 0 EIADLP CCC(CC)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000512109869 1026023265 /nfs/dbraw/zinc/02/32/65/1026023265.db2.gz XPKJEZOJBNNXOQ-IBGZPJMESA-N 2 2 331.529 4.472 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000123772167 1026049696 /nfs/dbraw/zinc/04/96/96/1026049696.db2.gz OIWFAHZYUFHFDP-INIZCTEOSA-N 2 2 342.458 4.150 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000512130979 1026085778 /nfs/dbraw/zinc/08/57/78/1026085778.db2.gz PYVVVJIIQHAGHQ-OWOJBTEDSA-N 2 2 339.389 4.013 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000303794627 1026171434 /nfs/dbraw/zinc/17/14/34/1026171434.db2.gz VOSPSCCLRZUPGY-FXAWDEMLSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000303794627 1026171439 /nfs/dbraw/zinc/17/14/39/1026171439.db2.gz VOSPSCCLRZUPGY-FXAWDEMLSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794627 1026171450 /nfs/dbraw/zinc/17/14/50/1026171450.db2.gz VOSPSCCLRZUPGY-FXAWDEMLSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794627 1026171455 /nfs/dbraw/zinc/17/14/55/1026171455.db2.gz VOSPSCCLRZUPGY-FXAWDEMLSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCc4occc43)CC2)cc1 ZINC000152251471 1026251443 /nfs/dbraw/zinc/25/14/43/1026251443.db2.gz VJKMYONICWEQSG-FQEVSTJZSA-N 2 2 342.458 4.093 20 0 EIADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000391087462 1026321614 /nfs/dbraw/zinc/32/16/14/1026321614.db2.gz XBCGOSSSDXZCLJ-OAQYLSRUSA-N 2 2 337.511 4.034 20 0 EIADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000391087462 1026321628 /nfs/dbraw/zinc/32/16/28/1026321628.db2.gz XBCGOSSSDXZCLJ-OAQYLSRUSA-N 2 2 337.511 4.034 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccsc3)s1)CCC2 ZINC000344546541 1026442733 /nfs/dbraw/zinc/44/27/33/1026442733.db2.gz UCVHHMAAPZZQSO-ZDUSSCGKSA-N 2 2 344.509 4.044 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000582427323 1026618695 /nfs/dbraw/zinc/61/86/95/1026618695.db2.gz KFICDQICLISYIU-WMQCIHAUSA-N 2 2 332.532 4.037 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000236796562 1026784496 /nfs/dbraw/zinc/78/44/96/1026784496.db2.gz MPVOQLTVZNPDDG-NRFANRHFSA-N 2 2 326.459 4.379 20 0 EIADLP C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Br)c1 ZINC000512354656 1026787765 /nfs/dbraw/zinc/78/77/65/1026787765.db2.gz ICRNZVDTXLUYGG-ZDUSSCGKSA-N 2 2 348.288 4.155 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000507506130 1026819312 /nfs/dbraw/zinc/81/93/12/1026819312.db2.gz FGDOEMJZILTWKW-LQWHRVPQSA-N 2 2 337.511 4.348 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000507506130 1026819315 /nfs/dbraw/zinc/81/93/15/1026819315.db2.gz FGDOEMJZILTWKW-LQWHRVPQSA-N 2 2 337.511 4.348 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370988519 1026832816 /nfs/dbraw/zinc/83/28/16/1026832816.db2.gz QZGHZZNQGMKOFO-KBPBESRZSA-N 2 2 332.797 4.075 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370988519 1026832807 /nfs/dbraw/zinc/83/28/07/1026832807.db2.gz QZGHZZNQGMKOFO-KBPBESRZSA-N 2 2 332.797 4.075 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc12 ZINC000152757124 1026837914 /nfs/dbraw/zinc/83/79/14/1026837914.db2.gz ZJSMHSWCEBXDHU-MRXNPFEDSA-N 2 2 349.478 4.275 20 0 EIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC(F)F ZINC000152799908 1026849223 /nfs/dbraw/zinc/84/92/23/1026849223.db2.gz PMYMFXUBCAFUSE-MRXNPFEDSA-N 2 2 349.425 4.104 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000152795208 1026851024 /nfs/dbraw/zinc/85/10/24/1026851024.db2.gz XUTOWKSQLDPMIF-CYBMUJFWSA-N 2 2 337.389 4.132 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000152795095 1026851076 /nfs/dbraw/zinc/85/10/76/1026851076.db2.gz XUTOWKSQLDPMIF-ZDUSSCGKSA-N 2 2 337.389 4.132 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684956363 1026890147 /nfs/dbraw/zinc/89/01/47/1026890147.db2.gz BVETVHXUXGBJJK-UTKZUKDTSA-N 2 2 335.495 4.274 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684956362 1026890917 /nfs/dbraw/zinc/89/09/17/1026890917.db2.gz BVETVHXUXGBJJK-LAUBAEHRSA-N 2 2 335.495 4.274 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000582645681 1026898894 /nfs/dbraw/zinc/89/88/94/1026898894.db2.gz KWHAXCSPASWHOJ-SFTDATJTSA-N 2 2 344.543 4.350 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000474472527 1027098061 /nfs/dbraw/zinc/09/80/61/1027098061.db2.gz WRLNWMWEFQOUBB-XDNAFOTISA-N 2 2 348.531 4.048 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC000474472527 1027098079 /nfs/dbraw/zinc/09/80/79/1027098079.db2.gz WRLNWMWEFQOUBB-XDNAFOTISA-N 2 2 348.531 4.048 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000474472518 1027098495 /nfs/dbraw/zinc/09/84/95/1027098495.db2.gz WRLNWMWEFQOUBB-FJIDUMEYSA-N 2 2 348.531 4.048 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000474472518 1027098514 /nfs/dbraw/zinc/09/85/14/1027098514.db2.gz WRLNWMWEFQOUBB-FJIDUMEYSA-N 2 2 348.531 4.048 20 0 EIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000474473381 1027099636 /nfs/dbraw/zinc/09/96/36/1027099636.db2.gz YHOPVPRLTYLYFZ-VQTJNVASSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1ccc(CNc2cc[nH+]c3cc(F)ccc23)c(N2CCCC2)[nH+]1 ZINC000302060598 1027200993 /nfs/dbraw/zinc/20/09/93/1027200993.db2.gz SRRGAHNPNWLCDP-UHFFFAOYSA-N 2 2 336.414 4.290 20 0 EIADLP c1cn(CCNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)c[nH+]1 ZINC000302778645 1027391812 /nfs/dbraw/zinc/39/18/12/1027391812.db2.gz HFJCYCBZMVXRLM-UHFFFAOYSA-N 2 2 330.391 4.336 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582844609 1027493063 /nfs/dbraw/zinc/49/30/63/1027493063.db2.gz AJQPPPBEMBDEPZ-LJQANCHMSA-N 2 2 342.433 4.252 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582844609 1027493068 /nfs/dbraw/zinc/49/30/68/1027493068.db2.gz AJQPPPBEMBDEPZ-LJQANCHMSA-N 2 2 342.433 4.252 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2csc3ccccc23)c[nH+]1 ZINC000078887915 1027713776 /nfs/dbraw/zinc/71/37/76/1027713776.db2.gz MWORTRKIXGRMFM-UHFFFAOYSA-N 2 2 333.460 4.436 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2F)cc1F ZINC000153683769 1027872251 /nfs/dbraw/zinc/87/22/51/1027872251.db2.gz JARDMPQMJCAEBW-CYBMUJFWSA-N 2 2 327.378 4.310 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000153735219 1027897601 /nfs/dbraw/zinc/89/76/01/1027897601.db2.gz DVVOHVKRPKTQPC-ZDUSSCGKSA-N 2 2 327.403 4.326 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1F ZINC000926448747 1027918935 /nfs/dbraw/zinc/91/89/35/1027918935.db2.gz BCAUXRQVHZXSHK-WCBMZHEXSA-N 2 2 328.218 4.064 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](CNc1cc[nH+]c3cc(Cl)ccc13)CCC2 ZINC000443894967 1028030014 /nfs/dbraw/zinc/03/00/14/1028030014.db2.gz JGATUMKMCLURKA-ZDUSSCGKSA-N 2 2 326.831 4.383 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC[NH+]1CCCCC1 ZINC000444781419 1028043288 /nfs/dbraw/zinc/04/32/88/1028043288.db2.gz AQMGDVGAYYHOCC-KRWDZBQOSA-N 2 2 328.422 4.454 20 0 EIADLP Fc1ccccc1CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001167653214 1028046812 /nfs/dbraw/zinc/04/68/12/1028046812.db2.gz JBYLTSJJCBWYRD-UHFFFAOYSA-N 2 2 349.453 4.466 20 0 EIADLP Fc1cccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000346162657 1028295121 /nfs/dbraw/zinc/29/51/21/1028295121.db2.gz ZSNQBGGEOGSNPT-UHFFFAOYSA-N 2 2 327.428 4.238 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346200527 1028326229 /nfs/dbraw/zinc/32/62/29/1028326229.db2.gz HQPDXMWEVACQNU-UHFFFAOYSA-N 2 2 346.887 4.313 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346200527 1028326249 /nfs/dbraw/zinc/32/62/49/1028326249.db2.gz HQPDXMWEVACQNU-UHFFFAOYSA-N 2 2 346.887 4.313 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304953 1028377067 /nfs/dbraw/zinc/37/70/67/1028377067.db2.gz CXGCXEOQGVMKOE-DYVFJYSZSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304953 1028377090 /nfs/dbraw/zinc/37/70/90/1028377090.db2.gz CXGCXEOQGVMKOE-DYVFJYSZSA-N 2 2 337.389 4.293 20 0 EIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Br ZINC000523851820 1028419958 /nfs/dbraw/zinc/41/99/58/1028419958.db2.gz DTPVVROFHFCFOT-CJNGLKHVSA-N 2 2 341.337 4.466 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282019407 1028438386 /nfs/dbraw/zinc/43/83/86/1028438386.db2.gz DXZPRVNHZKYOGX-HKUYNNGSSA-N 2 2 330.516 4.055 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)C2 ZINC000156883245 1028864213 /nfs/dbraw/zinc/86/42/13/1028864213.db2.gz ATPGUWUUDVXVCE-RDJZCZTQSA-N 2 2 327.472 4.034 20 0 EIADLP CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000156999965 1028887971 /nfs/dbraw/zinc/88/79/71/1028887971.db2.gz HYMOCMPFUSBEEC-HNNXBMFYSA-N 2 2 340.496 4.346 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347160491 1028895854 /nfs/dbraw/zinc/89/58/54/1028895854.db2.gz GMDJFXUSKHJMHD-KKSFZXQISA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347160491 1028895859 /nfs/dbraw/zinc/89/58/59/1028895859.db2.gz GMDJFXUSKHJMHD-KKSFZXQISA-N 2 2 332.451 4.159 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1csc(C(F)(F)F)c1 ZINC000925173236 1028899505 /nfs/dbraw/zinc/89/95/05/1028899505.db2.gz XLCWXQASSHYJMP-MNOVXSKESA-N 2 2 329.391 4.192 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000444196666 1029062091 /nfs/dbraw/zinc/06/20/91/1029062091.db2.gz QLTBHGGEKAVDSN-FQEVSTJZSA-N 2 2 342.527 4.122 20 0 EIADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000444196666 1029062103 /nfs/dbraw/zinc/06/21/03/1029062103.db2.gz QLTBHGGEKAVDSN-FQEVSTJZSA-N 2 2 342.527 4.122 20 0 EIADLP C[NH+]1CCC(C[NH2+]c2ccc(N3CCc4sccc4C3)cc2)CC1 ZINC000892360369 1029229895 /nfs/dbraw/zinc/22/98/95/1029229895.db2.gz JOAUYDRKDRZSEU-UHFFFAOYSA-N 2 2 341.524 4.065 20 0 EIADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000475089052 1029236612 /nfs/dbraw/zinc/23/66/12/1029236612.db2.gz NQNQTXGQINBMIK-OAHLLOKOSA-N 2 2 331.891 4.091 20 0 EIADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000475089052 1029236625 /nfs/dbraw/zinc/23/66/25/1029236625.db2.gz NQNQTXGQINBMIK-OAHLLOKOSA-N 2 2 331.891 4.091 20 0 EIADLP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158191397 1029388446 /nfs/dbraw/zinc/38/84/46/1029388446.db2.gz KKFYVVSBUCAJKF-IBGZPJMESA-N 3 2 340.515 4.035 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151307045 1029475236 /nfs/dbraw/zinc/47/52/36/1029475236.db2.gz INCYSPXAXGHZJP-AOMKIAJQSA-N 2 2 349.453 4.484 20 0 EIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657821748 1029557420 /nfs/dbraw/zinc/55/74/20/1029557420.db2.gz RNHBNOVSCSDSSP-ROUUACIJSA-N 2 2 335.451 4.374 20 0 EIADLP CC1(C)CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475353848 1029571734 /nfs/dbraw/zinc/57/17/34/1029571734.db2.gz LUCPNKCETLPHHH-FHERZECASA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H](CC1CCCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359376 1029575905 /nfs/dbraw/zinc/57/59/05/1029575905.db2.gz VYRQPJVWTGVVSX-IGEOTXOUSA-N 2 2 332.454 4.350 20 0 EIADLP C[NH+](C)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182652869 1029605856 /nfs/dbraw/zinc/60/58/56/1029605856.db2.gz XLZJHEDHBKQKHL-UHFFFAOYSA-N 2 2 349.931 4.006 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(C)(C)C)cc1 ZINC000584297093 1029721101 /nfs/dbraw/zinc/72/11/01/1029721101.db2.gz VEAVFQZROBTWGQ-QUCCMNQESA-N 2 2 325.500 4.482 20 0 EIADLP C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090911973 1029865334 /nfs/dbraw/zinc/86/53/34/1029865334.db2.gz WOZHGMWIALFBLA-INIZCTEOSA-N 2 2 348.450 4.049 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000090667249 1029868447 /nfs/dbraw/zinc/86/84/47/1029868447.db2.gz CYSADXCXCNXIQX-KXBFYZLASA-N 2 2 341.524 4.336 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071305 1029899387 /nfs/dbraw/zinc/89/93/87/1029899387.db2.gz GLXJQNKNNCDEJH-QGZVFWFLSA-N 2 2 349.482 4.098 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071305 1029899403 /nfs/dbraw/zinc/89/94/03/1029899403.db2.gz GLXJQNKNNCDEJH-QGZVFWFLSA-N 2 2 349.482 4.098 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3-n3cc[nH+]c3)oc21 ZINC000181569115 1029899718 /nfs/dbraw/zinc/89/97/18/1029899718.db2.gz UAGSIGVKKYUCTA-OAHLLOKOSA-N 2 2 347.418 4.478 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(Cl)n2)cc1 ZINC000183674991 1030030033 /nfs/dbraw/zinc/03/00/33/1030030033.db2.gz DWRHCGVCOBHAKG-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185354800 1030141343 /nfs/dbraw/zinc/14/13/43/1030141343.db2.gz NJPCGHWSXDQRGS-BEFAXECRSA-N 2 2 345.437 4.019 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185354800 1030141361 /nfs/dbraw/zinc/14/13/61/1030141361.db2.gz NJPCGHWSXDQRGS-BEFAXECRSA-N 2 2 345.437 4.019 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185564385 1030201167 /nfs/dbraw/zinc/20/11/67/1030201167.db2.gz ACTOPWNKWYJDQN-HWOWSKLDSA-N 2 2 343.437 4.043 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185564385 1030201217 /nfs/dbraw/zinc/20/12/17/1030201217.db2.gz ACTOPWNKWYJDQN-HWOWSKLDSA-N 2 2 343.437 4.043 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226268 1030221584 /nfs/dbraw/zinc/22/15/84/1030221584.db2.gz ZEZZCOROZDLVBC-LRDDRELGSA-N 2 2 345.487 4.193 20 0 EIADLP CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000685463265 1030344472 /nfs/dbraw/zinc/34/44/72/1030344472.db2.gz NCEAJZXDRDQHBE-GOSISDBHSA-N 2 2 335.451 4.232 20 0 EIADLP CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000685463265 1030344494 /nfs/dbraw/zinc/34/44/94/1030344494.db2.gz NCEAJZXDRDQHBE-GOSISDBHSA-N 2 2 335.451 4.232 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)CCC2 ZINC000530735741 1030693594 /nfs/dbraw/zinc/69/35/94/1030693594.db2.gz JQONMNRFQIPVDO-INIZCTEOSA-N 2 2 344.528 4.363 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)CCC2 ZINC000530735742 1030694381 /nfs/dbraw/zinc/69/43/81/1030694381.db2.gz JQONMNRFQIPVDO-MRXNPFEDSA-N 2 2 344.528 4.363 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109842 1030703409 /nfs/dbraw/zinc/70/34/09/1030703409.db2.gz CPLUTDVYPDDFOV-GCJKJVERSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109842 1030703423 /nfs/dbraw/zinc/70/34/23/1030703423.db2.gz CPLUTDVYPDDFOV-GCJKJVERSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092366 1030820357 /nfs/dbraw/zinc/82/03/57/1030820357.db2.gz PZICLRLSLHPNAI-QLFBSQMISA-N 2 2 331.529 4.251 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092366 1030820367 /nfs/dbraw/zinc/82/03/67/1030820367.db2.gz PZICLRLSLHPNAI-QLFBSQMISA-N 2 2 331.529 4.251 20 0 EIADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527843675 1030873951 /nfs/dbraw/zinc/87/39/51/1030873951.db2.gz CIYHFLNUGNIJLD-OAHLLOKOSA-N 2 2 340.515 4.047 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949017 1030963035 /nfs/dbraw/zinc/96/30/35/1030963035.db2.gz NQICBPAWJMESSN-RHSMWYFYSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949017 1030963048 /nfs/dbraw/zinc/96/30/48/1030963048.db2.gz NQICBPAWJMESSN-RHSMWYFYSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001168193460 1031006782 /nfs/dbraw/zinc/00/67/82/1031006782.db2.gz QACFMVOSKQBZLJ-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421840421 1031036321 /nfs/dbraw/zinc/03/63/21/1031036321.db2.gz ZBOFTRMWXUKRCM-FXAWDEMLSA-N 2 2 337.511 4.048 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015852 1031062120 /nfs/dbraw/zinc/06/21/20/1031062120.db2.gz ZIGHIUJXVXBFPY-JTSKRJEESA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015852 1031062135 /nfs/dbraw/zinc/06/21/35/1031062135.db2.gz ZIGHIUJXVXBFPY-JTSKRJEESA-N 2 2 335.495 4.416 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000375837673 1031325358 /nfs/dbraw/zinc/32/53/58/1031325358.db2.gz HJBIOGBKLMMVLE-FCEWJHQRSA-N 2 2 329.513 4.185 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000375837673 1031325376 /nfs/dbraw/zinc/32/53/76/1031325376.db2.gz HJBIOGBKLMMVLE-FCEWJHQRSA-N 2 2 329.513 4.185 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026059 1031363442 /nfs/dbraw/zinc/36/34/42/1031363442.db2.gz DUXJEBKHWIZCFF-GJZGRUSLSA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026059 1031363459 /nfs/dbraw/zinc/36/34/59/1031363459.db2.gz DUXJEBKHWIZCFF-GJZGRUSLSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026059 1031363476 /nfs/dbraw/zinc/36/34/76/1031363476.db2.gz DUXJEBKHWIZCFF-GJZGRUSLSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@@H]1C ZINC000449026059 1031363494 /nfs/dbraw/zinc/36/34/94/1031363494.db2.gz DUXJEBKHWIZCFF-GJZGRUSLSA-N 2 2 347.503 4.254 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000531700392 1031484898 /nfs/dbraw/zinc/48/48/98/1031484898.db2.gz FWXQANJRRLAUFT-OAHLLOKOSA-N 2 2 326.469 4.138 20 0 EIADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc2ccccc21 ZINC000449172637 1031494415 /nfs/dbraw/zinc/49/44/15/1031494415.db2.gz WAVMSQIIRSCFOI-SFHVURJKSA-N 2 2 335.451 4.021 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@H]1c1cccs1 ZINC000449161374 1031500540 /nfs/dbraw/zinc/50/05/40/1031500540.db2.gz ORJBBHAXFKBZQS-YJBOKZPZSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)[C@H]1c1cccs1 ZINC000449161374 1031500554 /nfs/dbraw/zinc/50/05/54/1031500554.db2.gz ORJBBHAXFKBZQS-YJBOKZPZSA-N 2 2 341.480 4.062 20 0 EIADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000449181366 1031518800 /nfs/dbraw/zinc/51/88/00/1031518800.db2.gz GWSJERFBZPLBPH-MRXNPFEDSA-N 2 2 338.417 4.088 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066975 1031529559 /nfs/dbraw/zinc/52/95/59/1031529559.db2.gz RJAZAWDFGNBOHT-KSZLIROESA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066975 1031529565 /nfs/dbraw/zinc/52/95/65/1031529565.db2.gz RJAZAWDFGNBOHT-KSZLIROESA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(-c2ccccc2)n1C ZINC000453074447 1031541242 /nfs/dbraw/zinc/54/12/42/1031541242.db2.gz GOQKQKDDVGSUTM-HNNXBMFYSA-N 2 2 340.515 4.047 20 0 EIADLP Fc1ccccc1-c1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000449298754 1031607211 /nfs/dbraw/zinc/60/72/11/1031607211.db2.gz KVUORKJEFAQBES-UHFFFAOYSA-N 2 2 345.487 4.056 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cn1 ZINC000126346907 1031643524 /nfs/dbraw/zinc/64/35/24/1031643524.db2.gz BMLVVHJZBMSGIY-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP Fc1ccc(C2CC2)cc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449372074 1031668607 /nfs/dbraw/zinc/66/86/07/1031668607.db2.gz CAZJNKFNLQTURA-UHFFFAOYSA-N 2 2 327.428 4.240 20 0 EIADLP c1csc([C@H]2C[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000449617984 1031894328 /nfs/dbraw/zinc/89/43/28/1031894328.db2.gz AMCIHOPOKBMTDD-XJKSGUPXSA-N 2 2 345.493 4.005 20 0 EIADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000453388487 1031897748 /nfs/dbraw/zinc/89/77/48/1031897748.db2.gz XADOVGVRJOJIQQ-NSISKUIASA-N 2 2 347.462 4.478 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCc3sccc32)[nH+]1 ZINC000132249782 1031909329 /nfs/dbraw/zinc/90/93/29/1031909329.db2.gz VZKLZBHCXOMGGZ-SFHVURJKSA-N 2 2 337.492 4.203 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000459366734 1031952486 /nfs/dbraw/zinc/95/24/86/1031952486.db2.gz LNHMRNGFAPAASU-UHFFFAOYSA-N 2 2 335.451 4.047 20 0 EIADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368713 1031959239 /nfs/dbraw/zinc/95/92/39/1031959239.db2.gz PIYQWDFTKLYNDK-CXAGYDPISA-N 2 2 337.389 4.065 20 0 EIADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368713 1031959255 /nfs/dbraw/zinc/95/92/55/1031959255.db2.gz PIYQWDFTKLYNDK-CXAGYDPISA-N 2 2 337.389 4.065 20 0 EIADLP CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000237071754 1034541723 /nfs/dbraw/zinc/54/17/23/1034541723.db2.gz IJQQNXGXLHUKMY-PKOBYXMFSA-N 2 2 329.532 4.280 20 0 EIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000513526803 1035020661 /nfs/dbraw/zinc/02/06/61/1035020661.db2.gz QFNJNVYAEMNPIM-OOXMNIKJSA-N 2 2 329.875 4.415 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513563844 1035036888 /nfs/dbraw/zinc/03/68/88/1035036888.db2.gz NXVIYPOEEZHIQG-UZYVYHOESA-N 2 2 344.543 4.039 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000513563844 1035036900 /nfs/dbraw/zinc/03/69/00/1035036900.db2.gz NXVIYPOEEZHIQG-UZYVYHOESA-N 2 2 344.543 4.039 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421829226 1036785412 /nfs/dbraw/zinc/78/54/12/1036785412.db2.gz HCQWTHDKCVKYEU-JKSUJKDBSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421829226 1036785424 /nfs/dbraw/zinc/78/54/24/1036785424.db2.gz HCQWTHDKCVKYEU-JKSUJKDBSA-N 2 2 331.891 4.296 20 0 EIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000272276101 1037148508 /nfs/dbraw/zinc/14/85/08/1037148508.db2.gz OCJYSWAVLMGHLT-HXUWFJFHSA-N 2 2 338.499 4.175 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000272330434 1037165748 /nfs/dbraw/zinc/16/57/48/1037165748.db2.gz XTUNSWUDUSNVSS-OAHLLOKOSA-N 2 2 344.528 4.155 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272355886 1037168536 /nfs/dbraw/zinc/16/85/36/1037168536.db2.gz RJMMXOBPDPJWQW-SOLBZPMBSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272355886 1037168549 /nfs/dbraw/zinc/16/85/49/1037168549.db2.gz RJMMXOBPDPJWQW-SOLBZPMBSA-N 2 2 343.902 4.296 20 0 EIADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000273133478 1037364106 /nfs/dbraw/zinc/36/41/06/1037364106.db2.gz CIBLNDOKEWOPBW-GOSISDBHSA-N 2 2 349.478 4.408 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469421 1037617076 /nfs/dbraw/zinc/61/70/76/1037617076.db2.gz ZJDCQLKPMPRJKZ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469421 1037617090 /nfs/dbraw/zinc/61/70/90/1037617090.db2.gz ZJDCQLKPMPRJKZ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469421 1037617102 /nfs/dbraw/zinc/61/71/02/1037617102.db2.gz ZJDCQLKPMPRJKZ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488469421 1037617109 /nfs/dbraw/zinc/61/71/09/1037617109.db2.gz ZJDCQLKPMPRJKZ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380013 1037731245 /nfs/dbraw/zinc/73/12/45/1037731245.db2.gz VIQXHYGZGGHGLQ-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380013 1037731260 /nfs/dbraw/zinc/73/12/60/1037731260.db2.gz VIQXHYGZGGHGLQ-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435443 1037756940 /nfs/dbraw/zinc/75/69/40/1037756940.db2.gz MEMPVLBDAJQBBS-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435443 1037756951 /nfs/dbraw/zinc/75/69/51/1037756951.db2.gz MEMPVLBDAJQBBS-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433958 1037756988 /nfs/dbraw/zinc/75/69/88/1037756988.db2.gz JUNSIIYEDZOVHN-UYAOXDASSA-N 2 2 337.511 4.420 20 0 EIADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433958 1037756999 /nfs/dbraw/zinc/75/69/99/1037756999.db2.gz JUNSIIYEDZOVHN-UYAOXDASSA-N 2 2 337.511 4.420 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442032 1037768047 /nfs/dbraw/zinc/76/80/47/1037768047.db2.gz QBHOKMAMZSNGHW-GHTZIAJQSA-N 2 2 349.522 4.204 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442032 1037768064 /nfs/dbraw/zinc/76/80/64/1037768064.db2.gz QBHOKMAMZSNGHW-GHTZIAJQSA-N 2 2 349.522 4.204 20 0 EIADLP Cc1sc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C(C)C ZINC000422702702 1037802867 /nfs/dbraw/zinc/80/28/67/1037802867.db2.gz FWAYCBFKFXZDKP-SJORKVTESA-N 2 2 329.513 4.158 20 0 EIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422740253 1037821417 /nfs/dbraw/zinc/82/14/17/1037821417.db2.gz BJZHZMNFODVQQN-WOIUINJBSA-N 3 2 343.559 4.112 20 0 EIADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000422837716 1037843762 /nfs/dbraw/zinc/84/37/62/1037843762.db2.gz VHDWMWPRGNODSU-YESZJQIVSA-N 2 2 332.394 4.474 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000422880413 1037851765 /nfs/dbraw/zinc/85/17/65/1037851765.db2.gz WXPKIRSBSBKRHO-QTJFZDIUSA-N 2 2 340.442 4.410 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)c2ccccc21 ZINC000422937483 1037876594 /nfs/dbraw/zinc/87/65/94/1037876594.db2.gz CMXBZUYFXIVGHT-IAGOWNOFSA-N 2 2 343.268 4.173 20 0 EIADLP FC(F)(F)C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423057943 1037926251 /nfs/dbraw/zinc/92/62/51/1037926251.db2.gz AZCOTYUVSAVNDG-CYBMUJFWSA-N 2 2 340.311 4.041 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423120672 1037966654 /nfs/dbraw/zinc/96/66/54/1037966654.db2.gz HFLHKPXHENCAJG-VNQPRFMTSA-N 2 2 332.900 4.472 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 ZINC000423146705 1037999148 /nfs/dbraw/zinc/99/91/48/1037999148.db2.gz PZXZJYVYQORRRP-IAGOWNOFSA-N 2 2 348.368 4.309 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 ZINC000423146706 1038000314 /nfs/dbraw/zinc/00/03/14/1038000314.db2.gz PZXZJYVYQORRRP-IRXDYDNUSA-N 2 2 348.368 4.309 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423249427 1038079855 /nfs/dbraw/zinc/07/98/55/1038079855.db2.gz TURPBHRMLRMMFX-IJEWVQPXSA-N 2 2 325.481 4.078 20 0 EIADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)CCC2 ZINC000423248009 1038080128 /nfs/dbraw/zinc/08/01/28/1038080128.db2.gz REUGPRWXWLANAH-IRXDYDNUSA-N 2 2 329.513 4.242 20 0 EIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000423248959 1038081331 /nfs/dbraw/zinc/08/13/31/1038081331.db2.gz SIBGQLHNSJPKGD-DYVFJYSZSA-N 2 2 336.451 4.394 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423271880 1038101698 /nfs/dbraw/zinc/10/16/98/1038101698.db2.gz YHNMTLQVNVFZNO-PBHICJAKSA-N 2 2 331.529 4.066 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC[NH2+]1 ZINC000423369178 1038185519 /nfs/dbraw/zinc/18/55/19/1038185519.db2.gz FQRRWPJQRMFJOX-UPRAQXHNSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423395085 1038200843 /nfs/dbraw/zinc/20/08/43/1038200843.db2.gz NCNSIWVJAKWOBS-RBQRDFNRSA-N 2 2 349.453 4.051 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423496132 1038265825 /nfs/dbraw/zinc/26/58/25/1038265825.db2.gz DIXBTRQTQVEGMK-CXAGYDPISA-N 2 2 325.481 4.209 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000608070908 1038485531 /nfs/dbraw/zinc/48/55/31/1038485531.db2.gz HSQUJLXRJGUYDZ-SFHVURJKSA-N 2 2 343.833 4.286 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000424310038 1038816350 /nfs/dbraw/zinc/81/63/50/1038816350.db2.gz IZPNGLMIOJMCJL-CQSZACIVSA-N 2 2 336.907 4.406 20 0 EIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@H]2C=CCCC2)cc1 ZINC000539220509 1038890324 /nfs/dbraw/zinc/89/03/24/1038890324.db2.gz YRSWKSUVDOPPRE-FQEVSTJZSA-N 2 2 339.483 4.283 20 0 EIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@H]2C=CCCC2)cc1 ZINC000539220509 1038890327 /nfs/dbraw/zinc/89/03/27/1038890327.db2.gz YRSWKSUVDOPPRE-FQEVSTJZSA-N 2 2 339.483 4.283 20 0 EIADLP CCCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000537617818 1038938698 /nfs/dbraw/zinc/93/86/98/1038938698.db2.gz DZBZULXDYXTMOJ-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000537617818 1038938740 /nfs/dbraw/zinc/93/87/40/1038938740.db2.gz DZBZULXDYXTMOJ-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000537617818 1038938775 /nfs/dbraw/zinc/93/87/75/1038938775.db2.gz DZBZULXDYXTMOJ-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000537617818 1038938807 /nfs/dbraw/zinc/93/88/07/1038938807.db2.gz DZBZULXDYXTMOJ-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP COc1ccc(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000481052716 1038996803 /nfs/dbraw/zinc/99/68/03/1038996803.db2.gz QPMMNEUCMLUBJA-KRWDZBQOSA-N 2 2 335.451 4.164 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000089513090 1039062838 /nfs/dbraw/zinc/06/28/38/1039062838.db2.gz WJHCBKODBFVDEW-QGZVFWFLSA-N 2 2 334.479 4.280 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)s2)cc1 ZINC000552110265 1039139273 /nfs/dbraw/zinc/13/92/73/1039139273.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)s2)cc1 ZINC000552110265 1039139302 /nfs/dbraw/zinc/13/93/02/1039139302.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)s2)cc1 ZINC000552110265 1039139312 /nfs/dbraw/zinc/13/93/12/1039139312.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)s2)cc1 ZINC000552110265 1039139338 /nfs/dbraw/zinc/13/93/38/1039139338.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 2 2 341.524 4.036 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OC(F)F ZINC000162865068 1039188417 /nfs/dbraw/zinc/18/84/17/1039188417.db2.gz OBELMGFPUQYPFS-CQSZACIVSA-N 2 2 335.398 4.226 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000090667886 1039274750 /nfs/dbraw/zinc/27/47/50/1039274750.db2.gz FSHNABXDQIDQJL-GJZGRUSLSA-N 2 2 345.437 4.236 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090845071 1039309225 /nfs/dbraw/zinc/30/92/25/1039309225.db2.gz KAPKFWBBRXXMSH-GUXCAODWSA-N 2 2 333.435 4.088 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042473 1039364728 /nfs/dbraw/zinc/36/47/28/1039364728.db2.gz PRTZFRLMFLXUSB-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042473 1039364743 /nfs/dbraw/zinc/36/47/43/1039364743.db2.gz PRTZFRLMFLXUSB-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042473 1039364757 /nfs/dbraw/zinc/36/47/57/1039364757.db2.gz PRTZFRLMFLXUSB-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042473 1039364772 /nfs/dbraw/zinc/36/47/72/1039364772.db2.gz PRTZFRLMFLXUSB-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP COc1ccccc1-c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648720 1039573357 /nfs/dbraw/zinc/57/33/57/1039573357.db2.gz PKNKOAFEKRNKRK-UHFFFAOYSA-N 2 2 347.462 4.396 20 0 EIADLP c1ccc(NC[C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]c1 ZINC000092812713 1039595989 /nfs/dbraw/zinc/59/59/89/1039595989.db2.gz BGJSPSGZKQTQNL-LJQANCHMSA-N 2 2 344.462 4.078 20 0 EIADLP c1ccc(NC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]c1 ZINC000092812713 1039596014 /nfs/dbraw/zinc/59/60/14/1039596014.db2.gz BGJSPSGZKQTQNL-LJQANCHMSA-N 2 2 344.462 4.078 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514234730 1039791681 /nfs/dbraw/zinc/79/16/81/1039791681.db2.gz RKANDRDQWGABRI-CYBMUJFWSA-N 2 2 349.356 4.340 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745521 1039856597 /nfs/dbraw/zinc/85/65/97/1039856597.db2.gz KOPJSYMMZFBULC-LIVBEALHSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745521 1039856599 /nfs/dbraw/zinc/85/65/99/1039856599.db2.gz KOPJSYMMZFBULC-LIVBEALHSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434745521 1039856601 /nfs/dbraw/zinc/85/66/01/1039856601.db2.gz KOPJSYMMZFBULC-LIVBEALHSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434745521 1039856604 /nfs/dbraw/zinc/85/66/04/1039856604.db2.gz KOPJSYMMZFBULC-LIVBEALHSA-N 2 2 345.437 4.046 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000479143312 1040163529 /nfs/dbraw/zinc/16/35/29/1040163529.db2.gz OHAZVOMQRMWYCE-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP Clc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511425 1040271543 /nfs/dbraw/zinc/27/15/43/1040271543.db2.gz WQTVOWMWQJPLQO-KBXCAEBGSA-N 2 2 341.886 4.341 20 0 EIADLP Clc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511425 1040271558 /nfs/dbraw/zinc/27/15/58/1040271558.db2.gz WQTVOWMWQJPLQO-KBXCAEBGSA-N 2 2 341.886 4.341 20 0 EIADLP Fc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435374218 1040316783 /nfs/dbraw/zinc/31/67/83/1040316783.db2.gz WWGRGVQJJXMDSE-KRWDZBQOSA-N 2 2 347.865 4.018 20 0 EIADLP Fc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435374218 1040316799 /nfs/dbraw/zinc/31/67/99/1040316799.db2.gz WWGRGVQJJXMDSE-KRWDZBQOSA-N 2 2 347.865 4.018 20 0 EIADLP Cc1ccccc1C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000551540785 1040379524 /nfs/dbraw/zinc/37/95/24/1040379524.db2.gz QSXCPBSRLSRIBS-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000551531027 1040386472 /nfs/dbraw/zinc/38/64/72/1040386472.db2.gz ZZYYWHFBFYHQJB-MAODMQOUSA-N 2 2 347.462 4.163 20 0 EIADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000539557098 1040544721 /nfs/dbraw/zinc/54/47/21/1040544721.db2.gz YDUXTYJUYGJMCJ-NRFANRHFSA-N 2 2 337.467 4.495 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577612 1040578704 /nfs/dbraw/zinc/57/87/04/1040578704.db2.gz YCAYCTHPRNSKKP-IRXDYDNUSA-N 2 2 337.389 4.170 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577612 1040578719 /nfs/dbraw/zinc/57/87/19/1040578719.db2.gz YCAYCTHPRNSKKP-IRXDYDNUSA-N 2 2 337.389 4.170 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819385 1040815329 /nfs/dbraw/zinc/81/53/29/1040815329.db2.gz CPOPROBYFOXWBJ-LRDDRELGSA-N 2 2 345.314 4.164 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819385 1040815335 /nfs/dbraw/zinc/81/53/35/1040815335.db2.gz CPOPROBYFOXWBJ-LRDDRELGSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819385 1040815337 /nfs/dbraw/zinc/81/53/37/1040815337.db2.gz CPOPROBYFOXWBJ-LRDDRELGSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819385 1040815342 /nfs/dbraw/zinc/81/53/42/1040815342.db2.gz CPOPROBYFOXWBJ-LRDDRELGSA-N 2 2 345.314 4.164 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000539822182 1040816756 /nfs/dbraw/zinc/81/67/56/1040816756.db2.gz JGSTYSJNXDTCGS-GOEBONIOSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000539822182 1040816759 /nfs/dbraw/zinc/81/67/59/1040816759.db2.gz JGSTYSJNXDTCGS-GOEBONIOSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000539822182 1040816772 /nfs/dbraw/zinc/81/67/72/1040816772.db2.gz JGSTYSJNXDTCGS-GOEBONIOSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000539822182 1040816777 /nfs/dbraw/zinc/81/67/77/1040816777.db2.gz JGSTYSJNXDTCGS-GOEBONIOSA-N 2 2 330.447 4.309 20 0 EIADLP CC(C)[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000554225737 1040893284 /nfs/dbraw/zinc/89/32/84/1040893284.db2.gz JHBNSGUDIUZIRZ-CTNGQTDRSA-N 2 2 338.499 4.031 20 0 EIADLP CC(C)[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000554225740 1040893302 /nfs/dbraw/zinc/89/33/02/1040893302.db2.gz JHBNSGUDIUZIRZ-FPOVZHCZSA-N 2 2 338.499 4.031 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721762 1040974800 /nfs/dbraw/zinc/97/48/00/1040974800.db2.gz ITQCGDZBSZDJID-GMXVVIOVSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721762 1040974827 /nfs/dbraw/zinc/97/48/27/1040974827.db2.gz ITQCGDZBSZDJID-GMXVVIOVSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000480157137 1041012291 /nfs/dbraw/zinc/01/22/91/1041012291.db2.gz DGVHPEKYZKQNBX-LBPRGKRZSA-N 2 2 332.822 4.078 20 0 EIADLP Cc1ccc2c(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cn(C)c2c1 ZINC000436413179 1041217772 /nfs/dbraw/zinc/21/77/72/1041217772.db2.gz HTWPQTAUXSZKEL-UHFFFAOYSA-N 2 2 344.462 4.005 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cc1 ZINC000538557763 1041420869 /nfs/dbraw/zinc/42/08/69/1041420869.db2.gz LWMGAINMYIUUOW-RDTXWAMCSA-N 2 2 344.890 4.048 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000516215006 1041467297 /nfs/dbraw/zinc/46/72/97/1041467297.db2.gz AMZBIIOGFQDKMG-GGAORHGYSA-N 2 2 334.507 4.387 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000516215006 1041467303 /nfs/dbraw/zinc/46/73/03/1041467303.db2.gz AMZBIIOGFQDKMG-GGAORHGYSA-N 2 2 334.507 4.387 20 0 EIADLP Fc1ccc2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)[nH]c2c1 ZINC000554883874 1041478682 /nfs/dbraw/zinc/47/86/82/1041478682.db2.gz FOEWQXDXSFYTPB-UHFFFAOYSA-N 2 2 340.446 4.196 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000480755032 1041512031 /nfs/dbraw/zinc/51/20/31/1041512031.db2.gz ZVRCMPGJTGTWRR-KGLIPLIRSA-N 2 2 329.444 4.490 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000480755031 1041512531 /nfs/dbraw/zinc/51/25/31/1041512531.db2.gz ZVRCMPGJTGTWRR-KBPBESRZSA-N 2 2 329.444 4.490 20 0 EIADLP c1cn(CC[NH2+]C(CCc2ccccc2)CCc2ccccc2)c[nH+]1 ZINC000461798346 1041592630 /nfs/dbraw/zinc/59/26/30/1041592630.db2.gz SFCWPAGCXFBWJP-UHFFFAOYSA-N 2 2 333.479 4.107 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540753502 1041642289 /nfs/dbraw/zinc/64/22/89/1041642289.db2.gz PSAYINFVZVXMRW-UWJYYQICSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540753502 1041642292 /nfs/dbraw/zinc/64/22/92/1041642292.db2.gz PSAYINFVZVXMRW-UWJYYQICSA-N 2 2 338.470 4.458 20 0 EIADLP CCc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000540757544 1041644300 /nfs/dbraw/zinc/64/43/00/1041644300.db2.gz XNBBWCBQJJRVPW-HOCLYGCPSA-N 2 2 344.528 4.019 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437791851 1041913750 /nfs/dbraw/zinc/91/37/50/1041913750.db2.gz HTYPVOCBVOQNKU-CZTZKLFOSA-N 2 2 337.511 4.185 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437791851 1041913754 /nfs/dbraw/zinc/91/37/54/1041913754.db2.gz HTYPVOCBVOQNKU-CZTZKLFOSA-N 2 2 337.511 4.185 20 0 EIADLP CC[NH+]1CCC([NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541912656 1042168037 /nfs/dbraw/zinc/16/80/37/1042168037.db2.gz FODKIMQWQKEBQN-INIZCTEOSA-N 2 2 346.462 4.183 20 0 EIADLP [NH3+]C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000414933227 1042220575 /nfs/dbraw/zinc/22/05/75/1042220575.db2.gz DIRLCEDACWMHSG-OAQYLSRUSA-N 2 2 338.495 4.169 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CC2 ZINC000542258153 1042361182 /nfs/dbraw/zinc/36/11/82/1042361182.db2.gz JKFICAODBSNBEV-SFHVURJKSA-N 2 2 327.859 4.299 20 0 EIADLP CCCc1nc(C)c(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000492271650 1042598796 /nfs/dbraw/zinc/59/87/96/1042598796.db2.gz GURFINSSIXLEAO-UHFFFAOYSA-N 2 2 343.515 4.183 20 0 EIADLP CCCc1nc(C)c(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000492271650 1042598802 /nfs/dbraw/zinc/59/88/02/1042598802.db2.gz GURFINSSIXLEAO-UHFFFAOYSA-N 2 2 343.515 4.183 20 0 EIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000520590553 1042909273 /nfs/dbraw/zinc/90/92/73/1042909273.db2.gz MZPOUGWAKFNRTC-SFHVURJKSA-N 2 2 345.874 4.017 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cnccc2Cl)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005484 1042971236 /nfs/dbraw/zinc/97/12/36/1042971236.db2.gz IZJHHMLJGVFSAC-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP CCCc1csc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000494187037 1043027922 /nfs/dbraw/zinc/02/79/22/1043027922.db2.gz XRHIQKJULQWQKX-SJLPKXTDSA-N 2 2 343.540 4.096 20 0 EIADLP CCCc1csc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494187037 1043027928 /nfs/dbraw/zinc/02/79/28/1043027928.db2.gz XRHIQKJULQWQKX-SJLPKXTDSA-N 2 2 343.540 4.096 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809323 1043040199 /nfs/dbraw/zinc/04/01/99/1043040199.db2.gz XFPMMCLJUJLCJX-QGZVFWFLSA-N 2 2 326.459 4.266 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809323 1043040204 /nfs/dbraw/zinc/04/02/04/1043040204.db2.gz XFPMMCLJUJLCJX-QGZVFWFLSA-N 2 2 326.459 4.266 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809323 1043040209 /nfs/dbraw/zinc/04/02/09/1043040209.db2.gz XFPMMCLJUJLCJX-QGZVFWFLSA-N 2 2 326.459 4.266 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809323 1043040215 /nfs/dbraw/zinc/04/02/15/1043040215.db2.gz XFPMMCLJUJLCJX-QGZVFWFLSA-N 2 2 326.459 4.266 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811811 1043052848 /nfs/dbraw/zinc/05/28/48/1043052848.db2.gz KMWAODLZCAUNHQ-LPHOPBHVSA-N 2 2 328.456 4.234 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811811 1043052860 /nfs/dbraw/zinc/05/28/60/1043052860.db2.gz KMWAODLZCAUNHQ-LPHOPBHVSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811811 1043052873 /nfs/dbraw/zinc/05/28/73/1043052873.db2.gz KMWAODLZCAUNHQ-LPHOPBHVSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000507811811 1043052890 /nfs/dbraw/zinc/05/28/90/1043052890.db2.gz KMWAODLZCAUNHQ-LPHOPBHVSA-N 2 2 328.456 4.234 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cc(F)ccc2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009865 1043121446 /nfs/dbraw/zinc/12/14/46/1043121446.db2.gz IIKJYHQXPMDESM-HZPDHXFCSA-N 2 2 344.449 4.496 20 0 EIADLP CCSc1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000185464281 1043187295 /nfs/dbraw/zinc/18/72/95/1043187295.db2.gz MAGRSMHSYCKPFP-UHFFFAOYSA-N 2 2 337.492 4.333 20 0 EIADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cs1 ZINC000427846498 1043224179 /nfs/dbraw/zinc/22/41/79/1043224179.db2.gz SIKABSKWKSZHSL-BXUZGUMPSA-N 2 2 344.509 4.042 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887236 1043251395 /nfs/dbraw/zinc/25/13/95/1043251395.db2.gz SCTJPLRFZJDWJK-CABCVRRESA-N 2 2 338.282 4.116 20 0 EIADLP [NH3+]C1(C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CCCC1 ZINC000665247520 1043252258 /nfs/dbraw/zinc/25/22/58/1043252258.db2.gz DLILCASFOIVNGW-OAQYLSRUSA-N 2 2 349.453 4.324 20 0 EIADLP FC(F)(F)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000186437964 1043281181 /nfs/dbraw/zinc/28/11/81/1043281181.db2.gz TVCPSJFBBVXFLY-GOSISDBHSA-N 2 2 345.368 4.308 20 0 EIADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012145 1043416290 /nfs/dbraw/zinc/41/62/90/1043416290.db2.gz WWWWPYMMZRNMTK-VTYHHJSWSA-N 3 2 345.575 4.140 20 0 EIADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012145 1043416297 /nfs/dbraw/zinc/41/62/97/1043416297.db2.gz WWWWPYMMZRNMTK-VTYHHJSWSA-N 3 2 345.575 4.140 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012145 1043416305 /nfs/dbraw/zinc/41/63/05/1043416305.db2.gz WWWWPYMMZRNMTK-VTYHHJSWSA-N 3 2 345.575 4.140 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012145 1043416312 /nfs/dbraw/zinc/41/63/12/1043416312.db2.gz WWWWPYMMZRNMTK-VTYHHJSWSA-N 3 2 345.575 4.140 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2ccc(Cl)cn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012493 1043426439 /nfs/dbraw/zinc/42/64/39/1043426439.db2.gz AYAKYTCIHACSGO-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007729 1043493242 /nfs/dbraw/zinc/49/32/42/1043493242.db2.gz OROPCPLEIOLYDB-LAUBAEHRSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007729 1043493248 /nfs/dbraw/zinc/49/32/48/1043493248.db2.gz OROPCPLEIOLYDB-LAUBAEHRSA-N 2 2 344.474 4.186 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000895151563 1043505427 /nfs/dbraw/zinc/50/54/27/1043505427.db2.gz LTGMIRWWVBETLE-YOEHRIQHSA-N 2 2 347.915 4.254 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000895151563 1043505436 /nfs/dbraw/zinc/50/54/36/1043505436.db2.gz LTGMIRWWVBETLE-YOEHRIQHSA-N 2 2 347.915 4.254 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000521172879 1043609858 /nfs/dbraw/zinc/60/98/58/1043609858.db2.gz JPGZGEGHOIWJHG-LJQANCHMSA-N 2 2 349.478 4.073 20 0 EIADLP CC(C)Oc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543063155 1043709401 /nfs/dbraw/zinc/70/94/01/1043709401.db2.gz ZCKBLUUMILTVRH-UHFFFAOYSA-N 2 2 341.499 4.363 20 0 EIADLP COc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073201 1043805833 /nfs/dbraw/zinc/80/58/33/1043805833.db2.gz VKJCUXPJNGGWAH-SJLPKXTDSA-N 2 2 327.472 4.215 20 0 EIADLP COc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073201 1043805835 /nfs/dbraw/zinc/80/58/35/1043805835.db2.gz VKJCUXPJNGGWAH-SJLPKXTDSA-N 2 2 327.472 4.215 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)cc1 ZINC000192163619 1043886216 /nfs/dbraw/zinc/88/62/16/1043886216.db2.gz UUKKTCLMLQJMEJ-JOCHJYFZSA-N 2 2 347.462 4.430 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2sccc2Cl)cc1F ZINC000193044040 1043995745 /nfs/dbraw/zinc/99/57/45/1043995745.db2.gz AJZLBQVGRYCSHJ-UHFFFAOYSA-N 2 2 335.835 4.325 20 0 EIADLP C[C@H](CCc1ccsc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195835 1044017251 /nfs/dbraw/zinc/01/72/51/1044017251.db2.gz WYVNMMYRTIBSPQ-APWZRJJASA-N 2 2 339.508 4.376 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168019173 1044340627 /nfs/dbraw/zinc/34/06/27/1044340627.db2.gz HBHMNHVXODWJMH-FHWLQOOXSA-N 2 2 337.511 4.482 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042509 1044370550 /nfs/dbraw/zinc/37/05/50/1044370550.db2.gz NICWSZJSNNXFME-SZMVWBNQSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042509 1044370565 /nfs/dbraw/zinc/37/05/65/1044370565.db2.gz NICWSZJSNNXFME-SZMVWBNQSA-N 2 2 329.513 4.094 20 0 EIADLP Cc1cc(F)cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001143592853 1044414963 /nfs/dbraw/zinc/41/49/63/1044414963.db2.gz WNASKYNGCIJOCN-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP Cc1cc(F)cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001143592853 1044414973 /nfs/dbraw/zinc/41/49/73/1044414973.db2.gz WNASKYNGCIJOCN-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1OCC ZINC000675833490 1044521241 /nfs/dbraw/zinc/52/12/41/1044521241.db2.gz KRUMSXBYLNEQSN-OALUTQOASA-N 2 2 346.515 4.009 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1OCC ZINC000675833490 1044521252 /nfs/dbraw/zinc/52/12/52/1044521252.db2.gz KRUMSXBYLNEQSN-OALUTQOASA-N 2 2 346.515 4.009 20 0 EIADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923545 1044562644 /nfs/dbraw/zinc/56/26/44/1044562644.db2.gz SRROLOHWWASWTQ-SFTDATJTSA-N 2 2 333.479 4.315 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000675921481 1044564000 /nfs/dbraw/zinc/56/40/00/1044564000.db2.gz LSVWLIJEFLAVRD-IERDGZPVSA-N 2 2 347.462 4.085 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675924127 1044565370 /nfs/dbraw/zinc/56/53/70/1044565370.db2.gz WATFWOWWVHHRRI-SFTDATJTSA-N 2 2 331.463 4.289 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000675924205 1044565745 /nfs/dbraw/zinc/56/57/45/1044565745.db2.gz WPLSHDIYSYREPW-VQTJNVASSA-N 2 2 335.426 4.120 20 0 EIADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923905 1044566461 /nfs/dbraw/zinc/56/64/61/1044566461.db2.gz VGAPCUBXANJOOD-SFTDATJTSA-N 2 2 331.463 4.289 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923952 1044567674 /nfs/dbraw/zinc/56/76/74/1044567674.db2.gz VXSRDQDDEXPSES-QFBILLFUSA-N 2 2 335.451 4.063 20 0 EIADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675926379 1044569431 /nfs/dbraw/zinc/56/94/31/1044569431.db2.gz VYYKVPYQWCZVOF-SFHVURJKSA-N 2 2 334.891 4.160 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000522383969 1044689912 /nfs/dbraw/zinc/68/99/12/1044689912.db2.gz VSLZESWYIOJENY-UHFFFAOYSA-N 2 2 348.437 4.435 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000922672288 1044881803 /nfs/dbraw/zinc/88/18/03/1044881803.db2.gz QCPAFLQWWLHRJI-AWEZNQCLSA-N 2 2 327.453 4.102 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3c(Cl)cccc31)CCC2 ZINC000543596887 1044885672 /nfs/dbraw/zinc/88/56/72/1044885672.db2.gz XLAKOYUZPHFWLZ-KSSFIOAISA-N 2 2 329.875 4.390 20 0 EIADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CCSCC3)c(C)c2)CC1 ZINC000474387769 1044908867 /nfs/dbraw/zinc/90/88/67/1044908867.db2.gz HWUWWTRCJQBSRT-KRWDZBQOSA-N 2 2 347.572 4.081 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000474469318 1045009693 /nfs/dbraw/zinc/00/96/93/1045009693.db2.gz CJSOPICWZRXCOW-JOCHJYFZSA-N 2 2 333.479 4.461 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(C)o1 ZINC000495415509 1045067458 /nfs/dbraw/zinc/06/74/58/1045067458.db2.gz QSBKIPJVZAWWLV-VDGAXYAQSA-N 2 2 348.531 4.298 20 0 EIADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3ccccc3)c3ccccc23)CC1 ZINC001168737481 1045073811 /nfs/dbraw/zinc/07/38/11/1045073811.db2.gz ZDBPUKCQGBLLHU-UHFFFAOYSA-N 2 2 344.462 4.101 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311417 1045225396 /nfs/dbraw/zinc/22/53/96/1045225396.db2.gz SLKXUAAAUUIZAT-MAUKXSAKSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311417 1045225403 /nfs/dbraw/zinc/22/54/03/1045225403.db2.gz SLKXUAAAUUIZAT-MAUKXSAKSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311419 1045225647 /nfs/dbraw/zinc/22/56/47/1045225647.db2.gz SLKXUAAAUUIZAT-QAPCUYQASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311419 1045225655 /nfs/dbraw/zinc/22/56/55/1045225655.db2.gz SLKXUAAAUUIZAT-QAPCUYQASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)(C)C ZINC000670267809 1045761500 /nfs/dbraw/zinc/76/15/00/1045761500.db2.gz UVQGTZSPBFRHPC-MSOLQXFVSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000246813586 1045831589 /nfs/dbraw/zinc/83/15/89/1045831589.db2.gz AVBIPIAMXGBBRG-UAGQMJEPSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000246813586 1045831590 /nfs/dbraw/zinc/83/15/90/1045831590.db2.gz AVBIPIAMXGBBRG-UAGQMJEPSA-N 2 2 327.497 4.088 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000769329077 1045922993 /nfs/dbraw/zinc/92/29/93/1045922993.db2.gz LHFAHYMENHDCKD-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000769329077 1045922977 /nfs/dbraw/zinc/92/29/77/1045922977.db2.gz LHFAHYMENHDCKD-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001170263650 1045961557 /nfs/dbraw/zinc/96/15/57/1045961557.db2.gz NNUNCKUUBZKIRS-AWEZNQCLSA-N 2 2 325.843 4.466 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718311 1046374393 /nfs/dbraw/zinc/37/43/93/1046374393.db2.gz KSSYAGSSNSBTSZ-JKSUJKDBSA-N 2 2 345.512 4.130 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718311 1046374409 /nfs/dbraw/zinc/37/44/09/1046374409.db2.gz KSSYAGSSNSBTSZ-JKSUJKDBSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718311 1046374425 /nfs/dbraw/zinc/37/44/25/1046374425.db2.gz KSSYAGSSNSBTSZ-JKSUJKDBSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718311 1046374442 /nfs/dbraw/zinc/37/44/42/1046374442.db2.gz KSSYAGSSNSBTSZ-JKSUJKDBSA-N 2 2 345.512 4.130 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000126485083 1046487721 /nfs/dbraw/zinc/48/77/21/1046487721.db2.gz YBWZDXWISWXQHQ-SFHVURJKSA-N 2 2 334.891 4.079 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000126667417 1046511040 /nfs/dbraw/zinc/51/10/40/1046511040.db2.gz NJTNAVJOBXVMBJ-GFCCVEGCSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785497563 1046701054 /nfs/dbraw/zinc/70/10/54/1046701054.db2.gz SHSFEMITMMVZQS-UZLBHIALSA-N 2 2 329.532 4.311 20 0 EIADLP CC(C)CCC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001170060986 1046853868 /nfs/dbraw/zinc/85/38/68/1046853868.db2.gz FQIHOQIBRQONQD-HNNXBMFYSA-N 2 2 343.606 4.242 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)sc2C1 ZINC000459760168 1046874241 /nfs/dbraw/zinc/87/42/41/1046874241.db2.gz JSMZHYMDCCEONZ-ZDUSSCGKSA-N 2 2 349.931 4.414 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)sc2C1 ZINC000459760168 1046874249 /nfs/dbraw/zinc/87/42/49/1046874249.db2.gz JSMZHYMDCCEONZ-ZDUSSCGKSA-N 2 2 349.931 4.414 20 0 EIADLP CCOc1cccc2cc([C@H](C)[NH2+]CCCNc3cccc[nH+]3)oc21 ZINC000537295256 1047076250 /nfs/dbraw/zinc/07/62/50/1047076250.db2.gz KIAPLLTXAZTFSV-HNNXBMFYSA-N 2 2 339.439 4.379 20 0 EIADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)oc21 ZINC000537294331 1047079171 /nfs/dbraw/zinc/07/91/71/1047079171.db2.gz BQKYCWCDKVWZKW-OAHLLOKOSA-N 2 2 327.428 4.159 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170081372 1047098778 /nfs/dbraw/zinc/09/87/78/1047098778.db2.gz OBNSXUHGGHODKT-ROUUACIJSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170081372 1047098809 /nfs/dbraw/zinc/09/88/09/1047098809.db2.gz OBNSXUHGGHODKT-ROUUACIJSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001170081372 1047098758 /nfs/dbraw/zinc/09/87/58/1047098758.db2.gz OBNSXUHGGHODKT-ROUUACIJSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001170081372 1047098792 /nfs/dbraw/zinc/09/87/92/1047098792.db2.gz OBNSXUHGGHODKT-ROUUACIJSA-N 2 2 334.552 4.315 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000788623501 1047254471 /nfs/dbraw/zinc/25/44/71/1047254471.db2.gz WUCZQWWMLGXEPR-HSQYWUDLSA-N 2 2 349.478 4.281 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556195208 1047555226 /nfs/dbraw/zinc/55/52/26/1047555226.db2.gz RXOYXMPVJMUPIQ-PJTPKWCPSA-N 2 2 340.442 4.073 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556195208 1047555235 /nfs/dbraw/zinc/55/52/35/1047555235.db2.gz RXOYXMPVJMUPIQ-PJTPKWCPSA-N 2 2 340.442 4.073 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000130432161 1047709772 /nfs/dbraw/zinc/70/97/72/1047709772.db2.gz DCGJUOUPXCASCS-YADHBBJMSA-N 2 2 345.490 4.400 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057309 1047872699 /nfs/dbraw/zinc/87/26/99/1047872699.db2.gz AMJJTDVBMCOCEY-IAGOWNOFSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057309 1047872703 /nfs/dbraw/zinc/87/27/03/1047872703.db2.gz AMJJTDVBMCOCEY-IAGOWNOFSA-N 2 2 342.870 4.054 20 0 EIADLP CC1(C)[C@@H]2C[C@H]([NH+]3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)C[C@@H]21 ZINC001170755452 1048108785 /nfs/dbraw/zinc/10/87/85/1048108785.db2.gz BSNMXQGLVVOSKH-REPLKXPHSA-N 2 2 347.462 4.428 20 0 EIADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132137091 1048209913 /nfs/dbraw/zinc/20/99/13/1048209913.db2.gz OIOCJJDNSVDAAL-NRFANRHFSA-N 2 2 331.463 4.059 20 0 EIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132176461 1048217578 /nfs/dbraw/zinc/21/75/78/1048217578.db2.gz UYRKWCPWZAITDV-GOSISDBHSA-N 2 2 349.478 4.142 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)CC(C)(C)C)s1 ZINC000809567394 1048404923 /nfs/dbraw/zinc/40/49/23/1048404923.db2.gz CQMCHZVJBWTHLU-UHFFFAOYSA-N 2 2 331.529 4.253 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)CC(C)(C)C)s1 ZINC000809567394 1048404929 /nfs/dbraw/zinc/40/49/29/1048404929.db2.gz CQMCHZVJBWTHLU-UHFFFAOYSA-N 2 2 331.529 4.253 20 0 EIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000815597663 1048533195 /nfs/dbraw/zinc/53/31/95/1048533195.db2.gz BHRXEEHYAHOFAK-DLBZAZTESA-N 2 2 341.474 4.405 20 0 EIADLP c1nc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2s1 ZINC001144734680 1048835892 /nfs/dbraw/zinc/83/58/92/1048835892.db2.gz MYNVTWBKGKNRQS-UHFFFAOYSA-N 2 2 341.524 4.137 20 0 EIADLP c1nc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2s1 ZINC001144734680 1048835899 /nfs/dbraw/zinc/83/58/99/1048835899.db2.gz MYNVTWBKGKNRQS-UHFFFAOYSA-N 2 2 341.524 4.137 20 0 EIADLP C[C@H](c1cccc(O)c1)[N@H+](C)CCC[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285044 1049000340 /nfs/dbraw/zinc/00/03/40/1049000340.db2.gz KGOPSKKHCIHPEQ-CALCHBBNSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CCC[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285044 1049000360 /nfs/dbraw/zinc/00/03/60/1049000360.db2.gz KGOPSKKHCIHPEQ-CALCHBBNSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@H](c1cccc(O)c1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285044 1049000370 /nfs/dbraw/zinc/00/03/70/1049000370.db2.gz KGOPSKKHCIHPEQ-CALCHBBNSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@H](c1cccc(O)c1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000077285044 1049000384 /nfs/dbraw/zinc/00/03/84/1049000384.db2.gz KGOPSKKHCIHPEQ-CALCHBBNSA-N 2 2 342.483 4.174 20 0 EIADLP CN(c1ccc([NH2+]CC2Cc3ccccc3C2)cc1)C1CC[NH+](C)CC1 ZINC000811469289 1049090530 /nfs/dbraw/zinc/09/05/30/1049090530.db2.gz XCYCEYFXFJDSGA-UHFFFAOYSA-N 2 2 349.522 4.044 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3c(F)cc(F)cc3C2)cc1 ZINC001171359485 1049508973 /nfs/dbraw/zinc/50/89/73/1049508973.db2.gz DRDSNYNKUIPTRJ-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821403104 1049631947 /nfs/dbraw/zinc/63/19/47/1049631947.db2.gz YXUXMFBYWIAXEJ-FUHWJXTLSA-N 2 2 325.456 4.015 20 0 EIADLP Cc1cnc([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716700832 1049701030 /nfs/dbraw/zinc/70/10/30/1049701030.db2.gz QEMFAHHRNWZWRP-BVBHFADKSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cnc([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716700832 1049701041 /nfs/dbraw/zinc/70/10/41/1049701041.db2.gz QEMFAHHRNWZWRP-BVBHFADKSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171575356 1049760481 /nfs/dbraw/zinc/76/04/81/1049760481.db2.gz VHQPLYIEFPDVGI-OAQYLSRUSA-N 2 2 331.463 4.170 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171575356 1049760486 /nfs/dbraw/zinc/76/04/86/1049760486.db2.gz VHQPLYIEFPDVGI-OAQYLSRUSA-N 2 2 331.463 4.170 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171963765 1049825283 /nfs/dbraw/zinc/82/52/83/1049825283.db2.gz FEOHVVPYQAVVOF-LJQANCHMSA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC001171963765 1049825284 /nfs/dbraw/zinc/82/52/84/1049825284.db2.gz FEOHVVPYQAVVOF-LJQANCHMSA-N 2 2 344.449 4.498 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989136 1049832114 /nfs/dbraw/zinc/83/21/14/1049832114.db2.gz YOLXAOKKUJOJSD-OAQYLSRUSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989136 1049832117 /nfs/dbraw/zinc/83/21/17/1049832117.db2.gz YOLXAOKKUJOJSD-OAQYLSRUSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989136 1049832119 /nfs/dbraw/zinc/83/21/19/1049832119.db2.gz YOLXAOKKUJOJSD-OAQYLSRUSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc2c(cn1)C[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171989136 1049832122 /nfs/dbraw/zinc/83/21/22/1049832122.db2.gz YOLXAOKKUJOJSD-OAQYLSRUSA-N 2 2 335.495 4.149 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245698969 1049833169 /nfs/dbraw/zinc/83/31/69/1049833169.db2.gz CVPGUDYOJFUGJV-DOTOQJQBSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245698969 1049833174 /nfs/dbraw/zinc/83/31/74/1049833174.db2.gz CVPGUDYOJFUGJV-DOTOQJQBSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245698969 1049833179 /nfs/dbraw/zinc/83/31/79/1049833179.db2.gz CVPGUDYOJFUGJV-DOTOQJQBSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245698969 1049833180 /nfs/dbraw/zinc/83/31/80/1049833180.db2.gz CVPGUDYOJFUGJV-DOTOQJQBSA-N 2 2 330.447 4.309 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4ccncc4C2)C3)cc1 ZINC001172074731 1049844249 /nfs/dbraw/zinc/84/42/49/1049844249.db2.gz LOSVZJAKKSTMDU-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4ccncc4C2)C3)cc1 ZINC001172074731 1049844250 /nfs/dbraw/zinc/84/42/50/1049844250.db2.gz LOSVZJAKKSTMDU-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCc4ccncc4C2)C3)cc1 ZINC001172074731 1049844252 /nfs/dbraw/zinc/84/42/52/1049844252.db2.gz LOSVZJAKKSTMDU-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCc4ccncc4C2)C3)cc1 ZINC001172074731 1049844253 /nfs/dbraw/zinc/84/42/53/1049844253.db2.gz LOSVZJAKKSTMDU-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]COc2ccccc2)C3)cc1 ZINC001172076317 1049845427 /nfs/dbraw/zinc/84/54/27/1049845427.db2.gz HVUBCAVHPGZCLT-WKCHPHFGSA-N 2 2 336.479 4.198 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]COc2ccccc2)C3)cc1 ZINC001172076317 1049845428 /nfs/dbraw/zinc/84/54/28/1049845428.db2.gz HVUBCAVHPGZCLT-WKCHPHFGSA-N 2 2 336.479 4.198 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170718204 1049847570 /nfs/dbraw/zinc/84/75/70/1049847570.db2.gz ZGXJVNKALCOCPB-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170718204 1049847573 /nfs/dbraw/zinc/84/75/73/1049847573.db2.gz ZGXJVNKALCOCPB-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799480 1049856862 /nfs/dbraw/zinc/85/68/62/1049856862.db2.gz XOICAUXEWHXHJJ-ZFWWWQNUSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799480 1049856863 /nfs/dbraw/zinc/85/68/63/1049856863.db2.gz XOICAUXEWHXHJJ-ZFWWWQNUSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799480 1049856865 /nfs/dbraw/zinc/85/68/65/1049856865.db2.gz XOICAUXEWHXHJJ-ZFWWWQNUSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799480 1049856867 /nfs/dbraw/zinc/85/68/67/1049856867.db2.gz XOICAUXEWHXHJJ-ZFWWWQNUSA-N 2 2 335.542 4.034 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)cc1 ZINC000823943827 1049889120 /nfs/dbraw/zinc/88/91/20/1049889120.db2.gz NCQXOHRKWJDKMW-HXUWFJFHSA-N 2 2 327.516 4.034 20 0 EIADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000246007582 1049891351 /nfs/dbraw/zinc/89/13/51/1049891351.db2.gz KNIWRHUSJMSJET-DLBZAZTESA-N 2 2 348.535 4.231 20 0 EIADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000246007582 1049891353 /nfs/dbraw/zinc/89/13/53/1049891353.db2.gz KNIWRHUSJMSJET-DLBZAZTESA-N 2 2 348.535 4.231 20 0 EIADLP CC(C)=CCC[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818807 1049896676 /nfs/dbraw/zinc/89/66/76/1049896676.db2.gz JONJLGRIWBRQBD-HNNXBMFYSA-N 2 2 326.444 4.287 20 0 EIADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC001172552170 1049930176 /nfs/dbraw/zinc/93/01/76/1049930176.db2.gz FAJXJRWERIZZJC-NHCUHLMSSA-N 2 2 335.495 4.224 20 0 EIADLP Cc1ccc(N([C@@H]2CC[C@@H](c3ccccc3)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001172565954 1049935266 /nfs/dbraw/zinc/93/52/66/1049935266.db2.gz QTIAIQIRZXCZNA-TZIWHRDSSA-N 2 2 335.495 4.285 20 0 EIADLP Fc1c[nH+]ccc1N([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001172565826 1049936037 /nfs/dbraw/zinc/93/60/37/1049936037.db2.gz OTGOFKQZRUNVDE-MJGOQNOKSA-N 2 2 339.458 4.115 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247161675 1050016248 /nfs/dbraw/zinc/01/62/48/1050016248.db2.gz XUPHMEKJOBVXRJ-RBDMOPTHSA-N 2 2 338.495 4.247 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247161675 1050016258 /nfs/dbraw/zinc/01/62/58/1050016258.db2.gz XUPHMEKJOBVXRJ-RBDMOPTHSA-N 2 2 338.495 4.247 20 0 EIADLP CC(C)[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172859333 1050197230 /nfs/dbraw/zinc/19/72/30/1050197230.db2.gz ACKZVPFMJRSHTN-AWEZNQCLSA-N 2 2 326.887 4.215 20 0 EIADLP CC(C)[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172859333 1050197239 /nfs/dbraw/zinc/19/72/39/1050197239.db2.gz ACKZVPFMJRSHTN-AWEZNQCLSA-N 2 2 326.887 4.215 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798214 1050209718 /nfs/dbraw/zinc/20/97/18/1050209718.db2.gz PFTKNSDQNALLFB-XLIONFOSSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798214 1050209731 /nfs/dbraw/zinc/20/97/31/1050209731.db2.gz PFTKNSDQNALLFB-XLIONFOSSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cccc2[nH]c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cc21 ZINC001177471360 1050218713 /nfs/dbraw/zinc/21/87/13/1050218713.db2.gz RTCOLEWWOSUPFW-UHFFFAOYSA-N 2 2 334.398 4.091 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000091283967 1050247465 /nfs/dbraw/zinc/24/74/65/1050247465.db2.gz RNFDXVYAHLVWLC-QFIPXVFZSA-N 2 2 347.462 4.181 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C(C)C)cc1 ZINC000091306968 1050249339 /nfs/dbraw/zinc/24/93/39/1050249339.db2.gz NXNIMGHVMREIGS-OAQYLSRUSA-N 2 2 335.451 4.368 20 0 EIADLP Cc1cc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(C2CC2)[nH+]1 ZINC001186203882 1050258440 /nfs/dbraw/zinc/25/84/40/1050258440.db2.gz VIHJURXGBSIAGC-LJQANCHMSA-N 2 2 338.499 4.231 20 0 EIADLP Cc1cc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(C2CC2)[nH+]1 ZINC001186203882 1050258455 /nfs/dbraw/zinc/25/84/55/1050258455.db2.gz VIHJURXGBSIAGC-LJQANCHMSA-N 2 2 338.499 4.231 20 0 EIADLP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283947 1050410843 /nfs/dbraw/zinc/41/08/43/1050410843.db2.gz XVIVCRSJJOXHHU-MJGOQNOKSA-N 2 2 347.572 4.461 20 0 EIADLP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283947 1050410850 /nfs/dbraw/zinc/41/08/50/1050410850.db2.gz XVIVCRSJJOXHHU-MJGOQNOKSA-N 2 2 347.572 4.461 20 0 EIADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC001178412292 1050465832 /nfs/dbraw/zinc/46/58/32/1050465832.db2.gz KNJNFYFICYHRKD-UHFFFAOYSA-N 2 2 336.907 4.093 20 0 EIADLP CC(C)(C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206337672 1050520502 /nfs/dbraw/zinc/52/05/02/1050520502.db2.gz VEAVUEQQAIAQRI-QGZVFWFLSA-N 2 2 344.927 4.364 20 0 EIADLP CC(C)(C[N@H+]1CCCC[C@@](F)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001206337672 1050520507 /nfs/dbraw/zinc/52/05/07/1050520507.db2.gz VEAVUEQQAIAQRI-QGZVFWFLSA-N 2 2 344.927 4.364 20 0 EIADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCc3ccccc32)CC1 ZINC001173690686 1050542928 /nfs/dbraw/zinc/54/29/28/1050542928.db2.gz YLKSKEMHZDUANW-UHFFFAOYSA-N 2 2 326.528 4.229 20 0 EIADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCc3ccccc32)CC1 ZINC001173690686 1050542943 /nfs/dbraw/zinc/54/29/43/1050542943.db2.gz YLKSKEMHZDUANW-UHFFFAOYSA-N 2 2 326.528 4.229 20 0 EIADLP CC[N@@H+](Cc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564742 1050634975 /nfs/dbraw/zinc/63/49/75/1050634975.db2.gz DORIDGFXJBXVOV-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP CC[N@H+](Cc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564742 1050634986 /nfs/dbraw/zinc/63/49/86/1050634986.db2.gz DORIDGFXJBXVOV-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644795 1050646945 /nfs/dbraw/zinc/64/69/45/1050646945.db2.gz VBJPEIZXLYLVNT-YPMHNXCESA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644795 1050646957 /nfs/dbraw/zinc/64/69/57/1050646957.db2.gz VBJPEIZXLYLVNT-YPMHNXCESA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644795 1050646966 /nfs/dbraw/zinc/64/69/66/1050646966.db2.gz VBJPEIZXLYLVNT-YPMHNXCESA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644795 1050646975 /nfs/dbraw/zinc/64/69/75/1050646975.db2.gz VBJPEIZXLYLVNT-YPMHNXCESA-N 2 2 334.813 4.273 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648105 /nfs/dbraw/zinc/64/81/05/1050648105.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648111 /nfs/dbraw/zinc/64/81/11/1050648111.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648114 /nfs/dbraw/zinc/64/81/14/1050648114.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648122 /nfs/dbraw/zinc/64/81/22/1050648122.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 2 2 335.542 4.034 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644793 1050648344 /nfs/dbraw/zinc/64/83/44/1050648344.db2.gz VBJPEIZXLYLVNT-DGCLKSJQSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644793 1050648348 /nfs/dbraw/zinc/64/83/48/1050648348.db2.gz VBJPEIZXLYLVNT-DGCLKSJQSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644793 1050648351 /nfs/dbraw/zinc/64/83/51/1050648351.db2.gz VBJPEIZXLYLVNT-DGCLKSJQSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644793 1050648359 /nfs/dbraw/zinc/64/83/59/1050648359.db2.gz VBJPEIZXLYLVNT-DGCLKSJQSA-N 2 2 334.813 4.273 20 0 EIADLP CCC(CC)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC001179396479 1050682551 /nfs/dbraw/zinc/68/25/51/1050682551.db2.gz HHIDQJXUNZNPLI-UHFFFAOYSA-N 2 2 331.407 4.392 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000572563912 1050907401 /nfs/dbraw/zinc/90/74/01/1050907401.db2.gz REIMWMMKUOMKIA-NTCAYCPXSA-N 2 2 337.389 4.327 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000572563912 1050907412 /nfs/dbraw/zinc/90/74/12/1050907412.db2.gz REIMWMMKUOMKIA-NTCAYCPXSA-N 2 2 337.389 4.327 20 0 EIADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000121367203 1050991708 /nfs/dbraw/zinc/99/17/08/1050991708.db2.gz PVXUIHLBPHNLCN-GOSISDBHSA-N 2 2 329.875 4.445 20 0 EIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(-c2ccc(C)cc2)nc1C ZINC001181498109 1051239891 /nfs/dbraw/zinc/23/98/91/1051239891.db2.gz SDTGKTZDQSGQBB-UHFFFAOYSA-N 2 2 342.531 4.043 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(-c2ccc(C)cc2)nc1C ZINC001181498109 1051239898 /nfs/dbraw/zinc/23/98/98/1051239898.db2.gz SDTGKTZDQSGQBB-UHFFFAOYSA-N 2 2 342.531 4.043 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCc3csc4ccccc34)cc2)c[nH+]1 ZINC000620756692 1051273752 /nfs/dbraw/zinc/27/37/52/1051273752.db2.gz NOMHGOCROGRKCH-UHFFFAOYSA-N 2 2 333.460 4.419 20 0 EIADLP C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001190944595 1051308658 /nfs/dbraw/zinc/30/86/58/1051308658.db2.gz NEYPOMWYOPXDIG-JOCHJYFZSA-N 2 2 331.463 4.426 20 0 EIADLP C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001190944595 1051308661 /nfs/dbraw/zinc/30/86/61/1051308661.db2.gz NEYPOMWYOPXDIG-JOCHJYFZSA-N 2 2 331.463 4.426 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC001181913442 1051350432 /nfs/dbraw/zinc/35/04/32/1051350432.db2.gz PTHFEXRZLQOLHP-YADHBBJMSA-N 2 2 334.507 4.434 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC001181913442 1051350444 /nfs/dbraw/zinc/35/04/44/1051350444.db2.gz PTHFEXRZLQOLHP-YADHBBJMSA-N 2 2 334.507 4.434 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC001175155587 1051385606 /nfs/dbraw/zinc/38/56/06/1051385606.db2.gz ATLDYPWSYMYEML-UHFFFAOYSA-N 2 2 329.532 4.354 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000156230861 1051509697 /nfs/dbraw/zinc/50/96/97/1051509697.db2.gz BJWOZIARVCMPBU-AWEZNQCLSA-N 2 2 345.874 4.063 20 0 EIADLP c1cn(-c2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2)c[nH+]1 ZINC001175504635 1051636215 /nfs/dbraw/zinc/63/62/15/1051636215.db2.gz DOBLMPXQPJAIEI-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2)c[nH+]1 ZINC001175504635 1051636219 /nfs/dbraw/zinc/63/62/19/1051636219.db2.gz DOBLMPXQPJAIEI-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845447 1051716822 /nfs/dbraw/zinc/71/68/22/1051716822.db2.gz TZUOMGSEHBWAPT-BBRMVZONSA-N 2 2 328.422 4.271 20 0 EIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845447 1051716830 /nfs/dbraw/zinc/71/68/30/1051716830.db2.gz TZUOMGSEHBWAPT-BBRMVZONSA-N 2 2 328.422 4.271 20 0 EIADLP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC001182960836 1051749910 /nfs/dbraw/zinc/74/99/10/1051749910.db2.gz VNEMUDIHKUYIPP-UIFIKXQLSA-N 2 2 342.527 4.229 20 0 EIADLP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC001182960836 1051749917 /nfs/dbraw/zinc/74/99/17/1051749917.db2.gz VNEMUDIHKUYIPP-UIFIKXQLSA-N 2 2 342.527 4.229 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001206550184 1051759560 /nfs/dbraw/zinc/75/95/60/1051759560.db2.gz XENQRMIZYUOGHD-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001206550184 1051759574 /nfs/dbraw/zinc/75/95/74/1051759574.db2.gz XENQRMIZYUOGHD-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC001192595520 1051773254 /nfs/dbraw/zinc/77/32/54/1051773254.db2.gz NLGQRQBAVPVHIB-QFIPXVFZSA-N 2 2 343.559 4.147 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)[C@H]1C ZINC001183525837 1051852392 /nfs/dbraw/zinc/85/23/92/1051852392.db2.gz HTLKSDJYPSZPOH-SEONNTABSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)[C@H]1C ZINC001183525837 1051852397 /nfs/dbraw/zinc/85/23/97/1051852397.db2.gz HTLKSDJYPSZPOH-SEONNTABSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC001183498127 1051855638 /nfs/dbraw/zinc/85/56/38/1051855638.db2.gz CQJKSHXUNWEBQV-GDAAHCPNSA-N 2 2 337.492 4.468 20 0 EIADLP c1c[nH+]c(Nc2ccc([NH+]3CCCCC3)cc2N2CCCCC2)[nH]1 ZINC001176084457 1051889640 /nfs/dbraw/zinc/88/96/40/1051889640.db2.gz LQHUNTJNJCAONP-UHFFFAOYSA-N 2 2 325.460 4.134 20 0 EIADLP c1cn(CCCC2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)c[nH+]1 ZINC001193336393 1051905210 /nfs/dbraw/zinc/90/52/10/1051905210.db2.gz PROGHNLHORHKJS-HXUWFJFHSA-N 2 2 345.531 4.115 20 0 EIADLP Cc1nsc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001193743703 1051980164 /nfs/dbraw/zinc/98/01/64/1051980164.db2.gz RIEWNJAYCNHVOM-LJQANCHMSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nsc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001193743703 1051980176 /nfs/dbraw/zinc/98/01/76/1051980176.db2.gz RIEWNJAYCNHVOM-LJQANCHMSA-N 2 2 343.540 4.150 20 0 EIADLP CC(C)c1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001184556963 1052040222 /nfs/dbraw/zinc/04/02/22/1052040222.db2.gz XHTHXGCPMOBUER-GOSISDBHSA-N 2 2 326.488 4.438 20 0 EIADLP c1c[nH+]c(N2CCCC2)c(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001176751057 1052182363 /nfs/dbraw/zinc/18/23/63/1052182363.db2.gz UXXFGHQNWZCJIO-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001176992022 1052214504 /nfs/dbraw/zinc/21/45/04/1052214504.db2.gz WJSYFKBHWBBBOL-AWEZNQCLSA-N 2 2 347.890 4.377 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001176992022 1052214515 /nfs/dbraw/zinc/21/45/15/1052214515.db2.gz WJSYFKBHWBBBOL-AWEZNQCLSA-N 2 2 347.890 4.377 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1O ZINC000184833817 1052244633 /nfs/dbraw/zinc/24/46/33/1052244633.db2.gz CGJMNCOFAFPELK-OAHLLOKOSA-N 2 2 344.886 4.361 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671307701 1052612228 /nfs/dbraw/zinc/61/22/28/1052612228.db2.gz DODGPIJDEGFKJA-INIZCTEOSA-N 2 2 349.931 4.380 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671307701 1052612231 /nfs/dbraw/zinc/61/22/31/1052612231.db2.gz DODGPIJDEGFKJA-INIZCTEOSA-N 2 2 349.931 4.380 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410378 1052649106 /nfs/dbraw/zinc/64/91/06/1052649106.db2.gz MNRRDIDTZGHBGJ-GHTZIAJQSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410378 1052649109 /nfs/dbraw/zinc/64/91/09/1052649109.db2.gz MNRRDIDTZGHBGJ-GHTZIAJQSA-N 2 2 338.495 4.247 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508656 1052666425 /nfs/dbraw/zinc/66/64/25/1052666425.db2.gz CVVUHHJWCBABJW-GOEBONIOSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623508656 1052666428 /nfs/dbraw/zinc/66/64/28/1052666428.db2.gz CVVUHHJWCBABJW-GOEBONIOSA-N 2 2 328.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524424 1052671524 /nfs/dbraw/zinc/67/15/24/1052671524.db2.gz SMNNQWURSWOCOW-WCQYABFASA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524424 1052671528 /nfs/dbraw/zinc/67/15/28/1052671528.db2.gz SMNNQWURSWOCOW-WCQYABFASA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000177935965 1052694320 /nfs/dbraw/zinc/69/43/20/1052694320.db2.gz FFXRZAJXWPFNCW-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000177932888 1052694448 /nfs/dbraw/zinc/69/44/48/1052694448.db2.gz HLLFCYWBJVGAJE-QFIPXVFZSA-N 2 2 331.463 4.042 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000177935646 1052694488 /nfs/dbraw/zinc/69/44/88/1052694488.db2.gz QESCFASFPYADHD-NRFANRHFSA-N 2 2 331.463 4.444 20 0 EIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177936300 1052694837 /nfs/dbraw/zinc/69/48/37/1052694837.db2.gz AGPQKILWSNEVHB-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCCn1cc[nH+]c1 ZINC000623870147 1052830587 /nfs/dbraw/zinc/83/05/87/1052830587.db2.gz QTMJYPCZQRFFDD-GOSISDBHSA-N 2 2 342.874 4.465 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)[C@H]1c1cccs1 ZINC000623898720 1052831736 /nfs/dbraw/zinc/83/17/36/1052831736.db2.gz PBOOQDKGLIDODP-GLJUWKHASA-N 2 2 347.553 4.255 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)[C@H]1c1cccs1 ZINC000623898720 1052831741 /nfs/dbraw/zinc/83/17/41/1052831741.db2.gz PBOOQDKGLIDODP-GLJUWKHASA-N 2 2 347.553 4.255 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000624188915 1052886956 /nfs/dbraw/zinc/88/69/56/1052886956.db2.gz LWYIQNAUKCXNPT-RHSMWYFYSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000624188915 1052886960 /nfs/dbraw/zinc/88/69/60/1052886960.db2.gz LWYIQNAUKCXNPT-RHSMWYFYSA-N 2 2 334.529 4.085 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000359116201 1052928267 /nfs/dbraw/zinc/92/82/67/1052928267.db2.gz POWJXMPLTRDQQF-YFVAEKQCSA-N 2 2 336.479 4.153 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000359116201 1052928274 /nfs/dbraw/zinc/92/82/74/1052928274.db2.gz POWJXMPLTRDQQF-YFVAEKQCSA-N 2 2 336.479 4.153 20 0 EIADLP CCc1cccc2c(C3CC[NH+](CCCn4cc[nH+]c4)CC3)c[nH]c21 ZINC000182697470 1052947817 /nfs/dbraw/zinc/94/78/17/1052947817.db2.gz GZJLMJLRYRNPPL-UHFFFAOYSA-N 2 2 336.483 4.197 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215436 1053013367 /nfs/dbraw/zinc/01/33/67/1053013367.db2.gz PAIYZBZFZSOWMQ-JXFKEZNVSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215436 1053013372 /nfs/dbraw/zinc/01/33/72/1053013372.db2.gz PAIYZBZFZSOWMQ-JXFKEZNVSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668752 1053020124 /nfs/dbraw/zinc/02/01/24/1053020124.db2.gz HBDIEUQOJYXONK-LSDHHAIUSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668752 1053020125 /nfs/dbraw/zinc/02/01/25/1053020125.db2.gz HBDIEUQOJYXONK-LSDHHAIUSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381335262 1053070521 /nfs/dbraw/zinc/07/05/21/1053070521.db2.gz JCCCQXMRRAPAKY-HOCLYGCPSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381335262 1053070529 /nfs/dbraw/zinc/07/05/29/1053070529.db2.gz JCCCQXMRRAPAKY-HOCLYGCPSA-N 2 2 348.412 4.104 20 0 EIADLP CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000794831233 1053443694 /nfs/dbraw/zinc/44/36/94/1053443694.db2.gz PAYMGHGLNNYFBM-WTNAPCKOSA-N 2 2 349.478 4.425 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000765247639 1053475518 /nfs/dbraw/zinc/47/55/18/1053475518.db2.gz BKVJGLLWAMKQDK-RDJZCZTQSA-N 2 2 333.476 4.264 20 0 EIADLP COc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1SC ZINC000765252026 1053475690 /nfs/dbraw/zinc/47/56/90/1053475690.db2.gz PGWAWOIJEBRQDZ-RDTXWAMCSA-N 2 2 347.528 4.379 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000765255011 1053480554 /nfs/dbraw/zinc/48/05/54/1053480554.db2.gz NYVJWHPRSQOQBL-XHSDSOJGSA-N 2 2 331.529 4.252 20 0 EIADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCO2 ZINC000765358084 1053513432 /nfs/dbraw/zinc/51/34/32/1053513432.db2.gz GRUJBEOFBZPYPP-OAQYLSRUSA-N 2 2 347.462 4.493 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404854 1053535918 /nfs/dbraw/zinc/53/59/18/1053535918.db2.gz NKTMESIWURQIRG-XMSQKQJNSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404854 1053535928 /nfs/dbraw/zinc/53/59/28/1053535928.db2.gz NKTMESIWURQIRG-XMSQKQJNSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccnc1Cl ZINC000765453437 1053553169 /nfs/dbraw/zinc/55/31/69/1053553169.db2.gz OYALGUVLCKZAOZ-OAHLLOKOSA-N 2 2 335.923 4.430 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2c(ccnc2Cl)o1 ZINC000866282852 1053677285 /nfs/dbraw/zinc/67/72/85/1053677285.db2.gz RQLSWMWBNUSGDZ-GFCCVEGCSA-N 2 2 330.819 4.029 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921526520 1053693234 /nfs/dbraw/zinc/69/32/34/1053693234.db2.gz FKGVDNTUNOFMLB-UHFFFAOYSA-N 2 2 329.488 4.102 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921526520 1053693240 /nfs/dbraw/zinc/69/32/40/1053693240.db2.gz FKGVDNTUNOFMLB-UHFFFAOYSA-N 2 2 329.488 4.102 20 0 EIADLP CCCC[N@H+](Cc1csnc1OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544660 1053696557 /nfs/dbraw/zinc/69/65/57/1053696557.db2.gz HCQCDYRFKHIRIB-UHFFFAOYSA-N 2 2 339.549 4.063 20 0 EIADLP CCCC[N@@H+](Cc1csnc1OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544660 1053696563 /nfs/dbraw/zinc/69/65/63/1053696563.db2.gz HCQCDYRFKHIRIB-UHFFFAOYSA-N 2 2 339.549 4.063 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263899 1053864161 /nfs/dbraw/zinc/86/41/61/1053864161.db2.gz FTNDPPZNLAFKDL-GOSISDBHSA-N 2 2 341.842 4.076 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC001197358988 1053883078 /nfs/dbraw/zinc/88/30/78/1053883078.db2.gz KRIHTSLYZDADJK-UHFFFAOYSA-N 2 2 329.532 4.237 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778275 1054108951 /nfs/dbraw/zinc/10/89/51/1054108951.db2.gz MEJAHUKRWNZQQO-LBPRGKRZSA-N 2 2 349.828 4.280 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790755 1054251366 /nfs/dbraw/zinc/25/13/66/1054251366.db2.gz NYKJWKAWXMZHRZ-IAGOWNOFSA-N 2 2 347.547 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790755 1054251380 /nfs/dbraw/zinc/25/13/80/1054251380.db2.gz NYKJWKAWXMZHRZ-IAGOWNOFSA-N 2 2 347.547 4.411 20 0 EIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001199472015 1054411732 /nfs/dbraw/zinc/41/17/32/1054411732.db2.gz FPYXOEBQDBROMW-QZTJIDSGSA-N 2 2 329.532 4.455 20 0 EIADLP C[C@@H](Cc1cccs1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000124134543 1054452342 /nfs/dbraw/zinc/45/23/42/1054452342.db2.gz OXTUABMVSCPVGM-INIZCTEOSA-N 2 2 343.540 4.004 20 0 EIADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001199865505 1054488995 /nfs/dbraw/zinc/48/89/95/1054488995.db2.gz QHRRFLKZGKFASE-GOSISDBHSA-N 2 2 344.449 4.275 20 0 EIADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001199865505 1054489000 /nfs/dbraw/zinc/48/90/00/1054489000.db2.gz QHRRFLKZGKFASE-GOSISDBHSA-N 2 2 344.449 4.275 20 0 EIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC001200872177 1054562794 /nfs/dbraw/zinc/56/27/94/1054562794.db2.gz JXIRYGQITLTVOL-OAQYLSRUSA-N 2 2 340.536 4.189 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(C3CCCC3)n2)cc1 ZINC000859213831 1054643721 /nfs/dbraw/zinc/64/37/21/1054643721.db2.gz JTWRVGKNFIANAU-UHFFFAOYSA-N 2 2 343.540 4.494 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(C3CCCC3)n2)cc1 ZINC000859213831 1054643740 /nfs/dbraw/zinc/64/37/40/1054643740.db2.gz JTWRVGKNFIANAU-UHFFFAOYSA-N 2 2 343.540 4.494 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)Cn1cc[nH+]c1 ZINC000126849083 1055177615 /nfs/dbraw/zinc/17/76/15/1055177615.db2.gz YMDHXUPVDLWDQT-AWEZNQCLSA-N 2 2 329.831 4.222 20 0 EIADLP Clc1ccccc1SCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348539319 1055541177 /nfs/dbraw/zinc/54/11/77/1055541177.db2.gz LWROONATPXVYLR-CQSZACIVSA-N 2 2 335.904 4.425 20 0 EIADLP Clc1ccccc1SCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348539319 1055541194 /nfs/dbraw/zinc/54/11/94/1055541194.db2.gz LWROONATPXVYLR-CQSZACIVSA-N 2 2 335.904 4.425 20 0 EIADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(COc3ccccc3)c1)CCC2 ZINC000921794966 1056570741 /nfs/dbraw/zinc/57/07/41/1056570741.db2.gz SFNLKGUUPLJYPU-HXUWFJFHSA-N 2 2 347.462 4.129 20 0 EIADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000742366227 1058577374 /nfs/dbraw/zinc/57/73/74/1058577374.db2.gz PNADVKUQHBMDKS-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP CCOc1cccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000766303779 1059143329 /nfs/dbraw/zinc/14/33/29/1059143329.db2.gz KINWGBQDNOOROC-DYESRHJHSA-N 2 2 349.478 4.453 20 0 EIADLP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304523 1059359934 /nfs/dbraw/zinc/35/99/34/1059359934.db2.gz NPPYFNODJMBYGT-RDJZCZTQSA-N 2 2 331.529 4.214 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccnc(Cl)c1 ZINC000766305766 1059363422 /nfs/dbraw/zinc/36/34/22/1059363422.db2.gz SKPNYYHIYIYFMX-RHSMWYFYSA-N 2 2 340.858 4.103 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccnc(Cl)c1 ZINC000766305769 1059371228 /nfs/dbraw/zinc/37/12/28/1059371228.db2.gz SKPNYYHIYIYFMX-WMLDXEAASA-N 2 2 340.858 4.103 20 0 EIADLP Cc1[nH]c(C[NH2+][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC001169126230 1060651407 /nfs/dbraw/zinc/65/14/07/1060651407.db2.gz YHNYVUWHLQAWST-GHMZBOCLSA-N 2 2 325.378 4.327 20 0 EIADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cc1C(F)(F)F ZINC001169139539 1060655746 /nfs/dbraw/zinc/65/57/46/1060655746.db2.gz BJYIRPFERGNFJJ-MLGOLLRUSA-N 2 2 329.410 4.364 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Br)CCC1)C2 ZINC001169109357 1060658846 /nfs/dbraw/zinc/65/88/46/1060658846.db2.gz BDDOCWRBPMKNDD-QDMKHBRRSA-N 2 2 349.316 4.043 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Br)CCC1)C2 ZINC001169109357 1060658853 /nfs/dbraw/zinc/65/88/53/1060658853.db2.gz BDDOCWRBPMKNDD-QDMKHBRRSA-N 2 2 349.316 4.043 20 0 EIADLP Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC001169196607 1060683648 /nfs/dbraw/zinc/68/36/48/1060683648.db2.gz FRJCGTPVRUJCMD-OAQYLSRUSA-N 2 2 331.463 4.479 20 0 EIADLP Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC001169196607 1060683655 /nfs/dbraw/zinc/68/36/55/1060683655.db2.gz FRJCGTPVRUJCMD-OAQYLSRUSA-N 2 2 331.463 4.479 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC001169264910 1060709625 /nfs/dbraw/zinc/70/96/25/1060709625.db2.gz SYIKDWNJRPCUJQ-QGZVFWFLSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC001169264910 1060709643 /nfs/dbraw/zinc/70/96/43/1060709643.db2.gz SYIKDWNJRPCUJQ-QGZVFWFLSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC001169245418 1060718946 /nfs/dbraw/zinc/71/89/46/1060718946.db2.gz CYURZAFRIIWRKQ-QGZVFWFLSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC001169245418 1060718952 /nfs/dbraw/zinc/71/89/52/1060718952.db2.gz CYURZAFRIIWRKQ-QGZVFWFLSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)CC1 ZINC001169258817 1060724336 /nfs/dbraw/zinc/72/43/36/1060724336.db2.gz UDHQAOCPQBOVQH-CYBMUJFWSA-N 2 2 327.299 4.267 20 0 EIADLP CC[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)CC1 ZINC001169258817 1060724350 /nfs/dbraw/zinc/72/43/50/1060724350.db2.gz UDHQAOCPQBOVQH-CYBMUJFWSA-N 2 2 327.299 4.267 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CC=C(c3ccc(Br)cc3)CC2)CC1 ZINC001169268679 1060753525 /nfs/dbraw/zinc/75/35/25/1060753525.db2.gz NVQJRPCKCKFQHE-UHFFFAOYSA-N 2 2 349.316 4.023 20 0 EIADLP CC[NH+]1CCC([N@H+]2CC=C(c3ccc(Br)cc3)CC2)CC1 ZINC001169268679 1060753516 /nfs/dbraw/zinc/75/35/16/1060753516.db2.gz NVQJRPCKCKFQHE-UHFFFAOYSA-N 2 2 349.316 4.023 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000245548281 1032303040 /nfs/dbraw/zinc/30/30/40/1032303040.db2.gz YLAHPYSNDAGQFS-JKSUJKDBSA-N 2 2 329.513 4.226 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000245548281 1032303051 /nfs/dbraw/zinc/30/30/51/1032303051.db2.gz YLAHPYSNDAGQFS-JKSUJKDBSA-N 2 2 329.513 4.226 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C2CC(F)(F)C2)c(C)c1 ZINC000529547314 1032435840 /nfs/dbraw/zinc/43/58/40/1032435840.db2.gz WWYUBYAGDXAGDQ-YJBOKZPZSA-N 2 2 333.426 4.265 20 0 EIADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450363664 1032446654 /nfs/dbraw/zinc/44/66/54/1032446654.db2.gz VVCWVIMBGLGNOV-CYBMUJFWSA-N 2 2 337.389 4.032 20 0 EIADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450363664 1032446656 /nfs/dbraw/zinc/44/66/56/1032446656.db2.gz VVCWVIMBGLGNOV-CYBMUJFWSA-N 2 2 337.389 4.032 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)c[nH+]1 ZINC000177935815 1032512886 /nfs/dbraw/zinc/51/28/86/1032512886.db2.gz MGJNPHICMUDCNB-QFIPXVFZSA-N 2 2 331.463 4.489 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959113 1032545464 /nfs/dbraw/zinc/54/54/64/1032545464.db2.gz UZEODCRMBCACGD-OFAXGOBFSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959113 1032545468 /nfs/dbraw/zinc/54/54/68/1032545468.db2.gz UZEODCRMBCACGD-OFAXGOBFSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000180122506 1032569278 /nfs/dbraw/zinc/56/92/78/1032569278.db2.gz MQXXGXRFTKJVJF-UXDRXVOSSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000180122506 1032569284 /nfs/dbraw/zinc/56/92/84/1032569284.db2.gz MQXXGXRFTKJVJF-UXDRXVOSSA-N 2 2 341.524 4.298 20 0 EIADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143095 1018833657 /nfs/dbraw/zinc/83/36/57/1018833657.db2.gz WPWLAJQHWXSXAA-LJQANCHMSA-N 2 2 330.472 4.082 20 0 EIADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143095 1018833660 /nfs/dbraw/zinc/83/36/60/1018833660.db2.gz WPWLAJQHWXSXAA-LJQANCHMSA-N 2 2 330.472 4.082 20 0 EIADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143095 1018833663 /nfs/dbraw/zinc/83/36/63/1018833663.db2.gz WPWLAJQHWXSXAA-LJQANCHMSA-N 2 2 330.472 4.082 20 0 EIADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143095 1018833667 /nfs/dbraw/zinc/83/36/67/1018833667.db2.gz WPWLAJQHWXSXAA-LJQANCHMSA-N 2 2 330.472 4.082 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000643546978 1018901783 /nfs/dbraw/zinc/90/17/83/1018901783.db2.gz XVAQOTZGGIVMFV-WDEREUQCSA-N 2 2 331.262 4.458 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274858813 1019793154 /nfs/dbraw/zinc/79/31/54/1019793154.db2.gz CMIGBAFCPZZDMX-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274858813 1019793171 /nfs/dbraw/zinc/79/31/71/1019793171.db2.gz CMIGBAFCPZZDMX-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1F ZINC000340259891 1020697288 /nfs/dbraw/zinc/69/72/88/1020697288.db2.gz QZBRHVMRAXPJAJ-DEYYWGMASA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1F ZINC000340259891 1020697299 /nfs/dbraw/zinc/69/72/99/1020697299.db2.gz QZBRHVMRAXPJAJ-DEYYWGMASA-N 2 2 333.476 4.016 20 0 EIADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000683471171 1020849316 /nfs/dbraw/zinc/84/93/16/1020849316.db2.gz BTCCVWABLPFCTG-UHFFFAOYSA-N 2 2 325.843 4.183 20 0 EIADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000683470535 1020849521 /nfs/dbraw/zinc/84/95/21/1020849521.db2.gz RAIZNNFPEOYROL-IBGZPJMESA-N 2 2 339.870 4.456 20 0 EIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000570249144 1021288983 /nfs/dbraw/zinc/28/89/83/1021288983.db2.gz VDONASKKJDHFED-JOCHJYFZSA-N 2 2 333.479 4.351 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000683775423 1021476260 /nfs/dbraw/zinc/47/62/60/1021476260.db2.gz LETCZMWXHKQKLQ-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000683775423 1021476281 /nfs/dbraw/zinc/47/62/81/1021476281.db2.gz LETCZMWXHKQKLQ-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647499080 1021635476 /nfs/dbraw/zinc/63/54/76/1021635476.db2.gz YXOJAEDGEZCDTE-WBMJQRKESA-N 2 2 335.904 4.023 20 0 EIADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647499080 1021635488 /nfs/dbraw/zinc/63/54/88/1021635488.db2.gz YXOJAEDGEZCDTE-WBMJQRKESA-N 2 2 335.904 4.023 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000685835834 1021660262 /nfs/dbraw/zinc/66/02/62/1021660262.db2.gz UTUICGMWUNBCSM-QINSGFPZSA-N 2 2 338.442 4.154 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnc2ccsc2c1 ZINC000177806948 1021707097 /nfs/dbraw/zinc/70/70/97/1021707097.db2.gz QBFUWJYZQFMEDY-CQSZACIVSA-N 2 2 334.448 4.333 20 0 EIADLP C[N@H+](Cc1ccc2cnccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000683828537 1021739201 /nfs/dbraw/zinc/73/92/01/1021739201.db2.gz DNLJVZMMSZVDCC-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1ccc2cnccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000683828537 1021739223 /nfs/dbraw/zinc/73/92/23/1021739223.db2.gz DNLJVZMMSZVDCC-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP Fc1cc(Cl)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000548069083 1021808585 /nfs/dbraw/zinc/80/85/85/1021808585.db2.gz UCMZXROSKJMRHG-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000089554843 1021933905 /nfs/dbraw/zinc/93/39/05/1021933905.db2.gz WCCKGJKBPYDLLJ-WOIUINJBSA-N 2 2 336.479 4.001 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000089554843 1021933921 /nfs/dbraw/zinc/93/39/21/1021933921.db2.gz WCCKGJKBPYDLLJ-WOIUINJBSA-N 2 2 336.479 4.001 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)s2)cc1C ZINC000656261964 1022309440 /nfs/dbraw/zinc/30/94/40/1022309440.db2.gz OEBNCODHTKBYNR-APWZRJJASA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)s2)cc1C ZINC000656261964 1022309450 /nfs/dbraw/zinc/30/94/50/1022309450.db2.gz OEBNCODHTKBYNR-APWZRJJASA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)s2)cc1C ZINC000656261964 1022309458 /nfs/dbraw/zinc/30/94/58/1022309458.db2.gz OEBNCODHTKBYNR-APWZRJJASA-N 2 2 343.540 4.199 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)s2)cc1C ZINC000656261964 1022309468 /nfs/dbraw/zinc/30/94/68/1022309468.db2.gz OEBNCODHTKBYNR-APWZRJJASA-N 2 2 343.540 4.199 20 0 EIADLP Clc1ccc(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)on2)cc1 ZINC000378051499 1022310323 /nfs/dbraw/zinc/31/03/23/1022310323.db2.gz BPBMDBAFFNKIKP-UHFFFAOYSA-N 2 2 342.830 4.098 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000924576624 1022324965 /nfs/dbraw/zinc/32/49/65/1022324965.db2.gz VAYRZVRWMXZIHT-MRXNPFEDSA-N 2 2 336.838 4.040 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001203155743 1022389194 /nfs/dbraw/zinc/38/91/94/1022389194.db2.gz GFNNNRWQHIFPHE-LJQANCHMSA-N 2 2 338.495 4.345 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001203155743 1022389215 /nfs/dbraw/zinc/38/92/15/1022389215.db2.gz GFNNNRWQHIFPHE-LJQANCHMSA-N 2 2 338.495 4.345 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414294248 1022422274 /nfs/dbraw/zinc/42/22/74/1022422274.db2.gz DPSCIWKYCDJDSQ-BTHPGYMESA-N 2 2 329.532 4.096 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414294248 1022422299 /nfs/dbraw/zinc/42/22/99/1022422299.db2.gz DPSCIWKYCDJDSQ-BTHPGYMESA-N 2 2 329.532 4.096 20 0 EIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152763257 1022517005 /nfs/dbraw/zinc/51/70/05/1022517005.db2.gz HMWFUWRFYAPLCK-CQSZACIVSA-N 2 2 347.890 4.165 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467198081 1022553046 /nfs/dbraw/zinc/55/30/46/1022553046.db2.gz WONBLGHWLGTKIZ-XLIONFOSSA-N 2 2 339.483 4.405 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCCc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000107714022 1022666978 /nfs/dbraw/zinc/66/69/78/1022666978.db2.gz SSHRMDCZZKIJTC-UHFFFAOYSA-N 2 2 330.435 4.076 20 0 EIADLP Cc1ccc([C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000510361835 1022735174 /nfs/dbraw/zinc/73/51/74/1022735174.db2.gz FHGYJOPWEDCEQT-AVRDEDQJSA-N 2 2 338.495 4.058 20 0 EIADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000414374005 1022790654 /nfs/dbraw/zinc/79/06/54/1022790654.db2.gz UJLSEOTWIZCVGZ-UHFFFAOYSA-N 2 2 326.406 4.074 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143505157 1022873422 /nfs/dbraw/zinc/87/34/22/1022873422.db2.gz ALHRYWGZARNOEW-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143505157 1022873428 /nfs/dbraw/zinc/87/34/28/1022873428.db2.gz ALHRYWGZARNOEW-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000349407062 1023134787 /nfs/dbraw/zinc/13/47/87/1023134787.db2.gz MTIVGYYECZPUSG-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000349407062 1023134798 /nfs/dbraw/zinc/13/47/98/1023134798.db2.gz MTIVGYYECZPUSG-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000417307129 1023256422 /nfs/dbraw/zinc/25/64/22/1023256422.db2.gz FFOYKMNVHYYCRJ-AHRSYUTCSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000549472628 1023337424 /nfs/dbraw/zinc/33/74/24/1023337424.db2.gz XYVBVOPGYLFGBH-IBGZPJMESA-N 2 2 343.559 4.237 20 0 EIADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000549472628 1023337430 /nfs/dbraw/zinc/33/74/30/1023337430.db2.gz XYVBVOPGYLFGBH-IBGZPJMESA-N 2 2 343.559 4.237 20 0 EIADLP CCCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758032 1023450294 /nfs/dbraw/zinc/45/02/94/1023450294.db2.gz WDSRXBARRXCXNE-UHFFFAOYSA-N 2 2 349.478 4.400 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210330 1023545758 /nfs/dbraw/zinc/54/57/58/1023545758.db2.gz VPKBMEDGLKRJMN-OXQOHEQNSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210330 1023545763 /nfs/dbraw/zinc/54/57/63/1023545763.db2.gz VPKBMEDGLKRJMN-OXQOHEQNSA-N 2 2 343.902 4.298 20 0 EIADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000377798054 1023763078 /nfs/dbraw/zinc/76/30/78/1023763078.db2.gz CWRLETJWISCUQD-HKUYNNGSSA-N 2 2 335.451 4.170 20 0 EIADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790260 1024023507 /nfs/dbraw/zinc/02/35/07/1024023507.db2.gz PHTMCYBFXGYMED-BACDZXNISA-N 2 2 332.454 4.350 20 0 EIADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790262 1024024318 /nfs/dbraw/zinc/02/43/18/1024024318.db2.gz PHTMCYBFXGYMED-GQGLESIBSA-N 2 2 332.454 4.350 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092165359 1024691149 /nfs/dbraw/zinc/69/11/49/1024691149.db2.gz NRGVYEMGYZAEQA-UHFFFAOYSA-N 2 2 341.474 4.194 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092165359 1024691151 /nfs/dbraw/zinc/69/11/51/1024691151.db2.gz NRGVYEMGYZAEQA-UHFFFAOYSA-N 2 2 341.474 4.194 20 0 EIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174461 1024777310 /nfs/dbraw/zinc/77/73/10/1024777310.db2.gz CMYHQXHJBNKPNY-HIFRSBDPSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174461 1024777332 /nfs/dbraw/zinc/77/73/32/1024777332.db2.gz CMYHQXHJBNKPNY-HIFRSBDPSA-N 2 2 347.256 4.058 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000535838701 1025103930 /nfs/dbraw/zinc/10/39/30/1025103930.db2.gz DASMZAILMDFLDC-JOCHJYFZSA-N 2 2 345.490 4.450 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000326712854 1025210350 /nfs/dbraw/zinc/21/03/50/1025210350.db2.gz BCGAEALODZJICI-QFBILLFUSA-N 2 2 345.487 4.056 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151110319 1025265305 /nfs/dbraw/zinc/26/53/05/1025265305.db2.gz MUJZEGFVLIRJBE-HNNXBMFYSA-N 2 2 340.496 4.364 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)c[nH+]1 ZINC000151350277 1025284410 /nfs/dbraw/zinc/28/44/10/1025284410.db2.gz SNUULVHHBNVOBM-JOCHJYFZSA-N 2 2 331.463 4.489 20 0 EIADLP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc2c1C ZINC000472069373 1025617206 /nfs/dbraw/zinc/61/72/06/1025617206.db2.gz UQCPYUNDGHAQLX-UHFFFAOYSA-N 2 2 330.435 4.260 20 0 EIADLP C[C@H](CCOCc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342258727 1025653041 /nfs/dbraw/zinc/65/30/41/1025653041.db2.gz YXJUEGUIBQBTTG-MRXNPFEDSA-N 2 2 341.480 4.019 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000343969917 1025688637 /nfs/dbraw/zinc/68/86/37/1025688637.db2.gz CRMFZZTZICVTTB-UKRRQHHQSA-N 2 2 337.389 4.439 20 0 EIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536104 1025987158 /nfs/dbraw/zinc/98/71/58/1025987158.db2.gz YGSWURMCXOFGCC-OALUTQOASA-N 2 2 333.520 4.113 20 0 EIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536104 1025987175 /nfs/dbraw/zinc/98/71/75/1025987175.db2.gz YGSWURMCXOFGCC-OALUTQOASA-N 2 2 333.520 4.113 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000344137273 1026051636 /nfs/dbraw/zinc/05/16/36/1026051636.db2.gz VVJKYGSBRPPMIP-OAQYLSRUSA-N 2 2 344.418 4.048 20 0 EIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000152101525 1026091494 /nfs/dbraw/zinc/09/14/94/1026091494.db2.gz JMRISGSNEWRXOH-LJQANCHMSA-N 2 2 335.451 4.328 20 0 EIADLP COC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000342412977 1026164792 /nfs/dbraw/zinc/16/47/92/1026164792.db2.gz DTETWWKVUTZFKI-KRWDZBQOSA-N 2 2 347.871 4.065 20 0 EIADLP Fc1cc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1F ZINC000894548145 1026199617 /nfs/dbraw/zinc/19/96/17/1026199617.db2.gz XJCYBTMYFKGSRV-DVOMOZLQSA-N 2 2 349.400 4.000 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000123772391 1026204200 /nfs/dbraw/zinc/20/42/00/1026204200.db2.gz OIWFAHZYUFHFDP-MRXNPFEDSA-N 2 2 342.458 4.150 20 0 EIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000342427451 1026226853 /nfs/dbraw/zinc/22/68/53/1026226853.db2.gz YXXMGHHBKIJNGM-LJQANCHMSA-N 2 2 341.842 4.003 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000152236242 1026239094 /nfs/dbraw/zinc/23/90/94/1026239094.db2.gz MNIDUOKWQHZNSA-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP Fc1ccc(CC2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000344331082 1026245083 /nfs/dbraw/zinc/24/50/83/1026245083.db2.gz ABVOABTUDYRGDL-UHFFFAOYSA-N 2 2 341.455 4.185 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000119736998 1026423913 /nfs/dbraw/zinc/42/39/13/1026423913.db2.gz PMTWWQFVOMXLTG-QGZVFWFLSA-N 2 2 337.305 4.117 20 0 EIADLP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(F)c1F ZINC000279469960 1026441851 /nfs/dbraw/zinc/44/18/51/1026441851.db2.gz SAKMVQDEFXGDTN-UHFFFAOYSA-N 2 2 349.400 4.016 20 0 EIADLP C[C@H](Nc1[nH+]ccc2c(N)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663778573 1026576245 /nfs/dbraw/zinc/57/62/45/1026576245.db2.gz GBCOVTHNSDLJEB-WMZOPIPTSA-N 2 2 346.478 4.140 20 0 EIADLP C[C@H](Nc1[nH+]ccc2c(N)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663778573 1026576249 /nfs/dbraw/zinc/57/62/49/1026576249.db2.gz GBCOVTHNSDLJEB-WMZOPIPTSA-N 2 2 346.478 4.140 20 0 EIADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426784 1026576376 /nfs/dbraw/zinc/57/63/76/1026576376.db2.gz GAENPWHZADPPAL-IEBWSBKVSA-N 2 2 346.425 4.008 20 0 EIADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426784 1026576380 /nfs/dbraw/zinc/57/63/80/1026576380.db2.gz GAENPWHZADPPAL-IEBWSBKVSA-N 2 2 346.425 4.008 20 0 EIADLP Cc1cnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)s1 ZINC000277621919 1026672315 /nfs/dbraw/zinc/67/23/15/1026672315.db2.gz XFCDMHPBJGTNSC-UHFFFAOYSA-N 2 2 338.480 4.017 20 0 EIADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000158415357 1026729265 /nfs/dbraw/zinc/72/92/65/1026729265.db2.gz YLTVDZNTQGUJSW-INIZCTEOSA-N 2 2 338.480 4.058 20 0 EIADLP CC[NH+](CC)CCCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000512365217 1026807476 /nfs/dbraw/zinc/80/74/76/1026807476.db2.gz UNMRVPUHUDETAJ-UHFFFAOYSA-N 2 2 340.458 4.004 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C2CCSCC2)c(C)c1 ZINC000474817116 1027540527 /nfs/dbraw/zinc/54/05/27/1027540527.db2.gz ZLVQSJKCNGLZIU-FXAWDEMLSA-N 2 2 343.540 4.363 20 0 EIADLP CC(C)[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922199 1027801253 /nfs/dbraw/zinc/80/12/53/1027801253.db2.gz GJVIIDWVOUUBHL-ICSRJNTNSA-N 2 2 325.500 4.114 20 0 EIADLP CC(C)[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922199 1027801255 /nfs/dbraw/zinc/80/12/55/1027801255.db2.gz GJVIIDWVOUUBHL-ICSRJNTNSA-N 2 2 325.500 4.114 20 0 EIADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000583030160 1027861302 /nfs/dbraw/zinc/86/13/02/1027861302.db2.gz LVDUVEMFFPNYMZ-LBPRGKRZSA-N 2 2 333.888 4.486 20 0 EIADLP Clc1ccccc1O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444613909 1027890384 /nfs/dbraw/zinc/89/03/84/1027890384.db2.gz YVAHDLRDLQAPFP-QGZVFWFLSA-N 2 2 336.907 4.059 20 0 EIADLP Clc1ccccc1O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444613909 1027890388 /nfs/dbraw/zinc/89/03/88/1027890388.db2.gz YVAHDLRDLQAPFP-QGZVFWFLSA-N 2 2 336.907 4.059 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000444662623 1027944132 /nfs/dbraw/zinc/94/41/32/1027944132.db2.gz NEKRTYYCTKAKBD-OAHLLOKOSA-N 2 2 330.501 4.294 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000444662623 1027944148 /nfs/dbraw/zinc/94/41/48/1027944148.db2.gz NEKRTYYCTKAKBD-OAHLLOKOSA-N 2 2 330.501 4.294 20 0 EIADLP Cc1ccc2cc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)ccc2n1 ZINC000189248503 1028106545 /nfs/dbraw/zinc/10/65/45/1028106545.db2.gz OFGJNJQVBDFGSW-UHFFFAOYSA-N 2 2 342.446 4.078 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000346179709 1028308948 /nfs/dbraw/zinc/30/89/48/1028308948.db2.gz JKRZTCFEIIQCHU-JOCHJYFZSA-N 2 2 331.463 4.034 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000346179709 1028308961 /nfs/dbraw/zinc/30/89/61/1028308961.db2.gz JKRZTCFEIIQCHU-JOCHJYFZSA-N 2 2 331.463 4.034 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273912 1028345658 /nfs/dbraw/zinc/34/56/58/1028345658.db2.gz IYSNZKKOVRECLB-GUYCJALGSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273912 1028345679 /nfs/dbraw/zinc/34/56/79/1028345679.db2.gz IYSNZKKOVRECLB-GUYCJALGSA-N 2 2 337.389 4.293 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000125160485 1028356915 /nfs/dbraw/zinc/35/69/15/1028356915.db2.gz XNADHELPFSCIJE-JKSUJKDBSA-N 2 2 327.447 4.097 20 0 EIADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141867 1028515944 /nfs/dbraw/zinc/51/59/44/1028515944.db2.gz JGGIIJGSINZISW-QGZVFWFLSA-N 2 2 326.406 4.013 20 0 EIADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141867 1028515960 /nfs/dbraw/zinc/51/59/60/1028515960.db2.gz JGGIIJGSINZISW-QGZVFWFLSA-N 2 2 326.406 4.013 20 0 EIADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141867 1028515976 /nfs/dbraw/zinc/51/59/76/1028515976.db2.gz JGGIIJGSINZISW-QGZVFWFLSA-N 2 2 326.406 4.013 20 0 EIADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279141867 1028515984 /nfs/dbraw/zinc/51/59/84/1028515984.db2.gz JGGIIJGSINZISW-QGZVFWFLSA-N 2 2 326.406 4.013 20 0 EIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCS2 ZINC000427614256 1028698477 /nfs/dbraw/zinc/69/84/77/1028698477.db2.gz WHQIFUOFFNDKON-SFHVURJKSA-N 2 2 341.524 4.205 20 0 EIADLP Clc1cccc(Cl)c1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192621092 1028793503 /nfs/dbraw/zinc/79/35/03/1028793503.db2.gz OGUOSQZWRIODCS-UHFFFAOYSA-N 2 2 338.282 4.460 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000346984284 1028839642 /nfs/dbraw/zinc/83/96/42/1028839642.db2.gz CBXZBIGFGMVFJH-UHFFFAOYSA-N 2 2 347.331 4.011 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000346984284 1028839652 /nfs/dbraw/zinc/83/96/52/1028839652.db2.gz CBXZBIGFGMVFJH-UHFFFAOYSA-N 2 2 347.331 4.011 20 0 EIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000459365794 1028897865 /nfs/dbraw/zinc/89/78/65/1028897865.db2.gz KXHBCQYALCEUIJ-OAQYLSRUSA-N 2 2 337.442 4.213 20 0 EIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000459365794 1028897867 /nfs/dbraw/zinc/89/78/67/1028897867.db2.gz KXHBCQYALCEUIJ-OAQYLSRUSA-N 2 2 337.442 4.213 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1csc(C(F)(F)F)c1 ZINC000925173238 1028899373 /nfs/dbraw/zinc/89/93/73/1028899373.db2.gz XLCWXQASSHYJMP-QWRGUYRKSA-N 2 2 329.391 4.192 20 0 EIADLP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524457918 1028965252 /nfs/dbraw/zinc/96/52/52/1028965252.db2.gz NFKDQEYSDQUSNA-SFHVURJKSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524457918 1028965266 /nfs/dbraw/zinc/96/52/66/1028965266.db2.gz NFKDQEYSDQUSNA-SFHVURJKSA-N 2 2 346.421 4.042 20 0 EIADLP Clc1cccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)c1 ZINC000562081578 1029224992 /nfs/dbraw/zinc/22/49/92/1029224992.db2.gz PKJQZMJKBXRHMV-CQSZACIVSA-N 2 2 343.883 4.439 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](c3ncccc3C)C1)CCC2 ZINC000343492937 1029361923 /nfs/dbraw/zinc/36/19/23/1029361923.db2.gz QOZVQFUXTZSVPX-FHWLQOOXSA-N 2 2 338.499 4.088 20 0 EIADLP Brc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000343580442 1029541461 /nfs/dbraw/zinc/54/14/61/1029541461.db2.gz JFBUQZRRGRKDCX-KRWDZBQOSA-N 2 2 348.288 4.167 20 0 EIADLP Brc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000343580443 1029542318 /nfs/dbraw/zinc/54/23/18/1029542318.db2.gz JFBUQZRRGRKDCX-QGZVFWFLSA-N 2 2 348.288 4.167 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000343591391 1029562977 /nfs/dbraw/zinc/56/29/77/1029562977.db2.gz YPSPRQPODZHCAL-QGZVFWFLSA-N 2 2 335.879 4.312 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000446830183 1029594210 /nfs/dbraw/zinc/59/42/10/1029594210.db2.gz PJSMUVLNNBAZRJ-QGZVFWFLSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000446841107 1029605852 /nfs/dbraw/zinc/60/58/52/1029605852.db2.gz MBYKNCKGVHTPBK-VYDXJSESSA-N 2 2 326.406 4.205 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000446841107 1029605860 /nfs/dbraw/zinc/60/58/60/1029605860.db2.gz MBYKNCKGVHTPBK-VYDXJSESSA-N 2 2 326.406 4.205 20 0 EIADLP Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000447080169 1029682510 /nfs/dbraw/zinc/68/25/10/1029682510.db2.gz ZKCODSQXJSKLIF-MRXNPFEDSA-N 2 2 325.481 4.305 20 0 EIADLP Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000447080169 1029682513 /nfs/dbraw/zinc/68/25/13/1029682513.db2.gz ZKCODSQXJSKLIF-MRXNPFEDSA-N 2 2 325.481 4.305 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+]C2CC(CF)(CF)C2)c2ccccc2)CC1 ZINC000657843019 1029763082 /nfs/dbraw/zinc/76/30/82/1029763082.db2.gz FZRVMTKVNGJWLW-IBGZPJMESA-N 2 2 336.470 4.137 20 0 EIADLP Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301765989 1029805723 /nfs/dbraw/zinc/80/57/23/1029805723.db2.gz BKDJJXYJIBHLDQ-UHFFFAOYSA-N 2 2 330.520 4.001 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000092752643 1029943312 /nfs/dbraw/zinc/94/33/12/1029943312.db2.gz QWXFPYNPJATZHO-DEYYWGMASA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000092752643 1029943327 /nfs/dbraw/zinc/94/33/27/1029943327.db2.gz QWXFPYNPJATZHO-DEYYWGMASA-N 2 2 333.476 4.016 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315325 1029987007 /nfs/dbraw/zinc/98/70/07/1029987007.db2.gz QDDQTZGJLMUWRY-MRXNPFEDSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315325 1029987034 /nfs/dbraw/zinc/98/70/34/1029987034.db2.gz QDDQTZGJLMUWRY-MRXNPFEDSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315325 1029987066 /nfs/dbraw/zinc/98/70/66/1029987066.db2.gz QDDQTZGJLMUWRY-MRXNPFEDSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000447315325 1029987083 /nfs/dbraw/zinc/98/70/83/1029987083.db2.gz QDDQTZGJLMUWRY-MRXNPFEDSA-N 2 2 341.326 4.200 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000378925333 1030093260 /nfs/dbraw/zinc/09/32/60/1030093260.db2.gz SGRGRTJIOKKQGD-JOCHJYFZSA-N 2 2 338.495 4.249 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220256 1030215637 /nfs/dbraw/zinc/21/56/37/1030215637.db2.gz NGUCOKKBSXCMKQ-BLLLJJGKSA-N 2 2 345.487 4.193 20 0 EIADLP C[C@H](CCc1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000685427803 1030304807 /nfs/dbraw/zinc/30/48/07/1030304807.db2.gz ITOIMDDULCJLCB-LJQANCHMSA-N 2 2 333.479 4.290 20 0 EIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)s1 ZINC000685459737 1030358735 /nfs/dbraw/zinc/35/87/35/1030358735.db2.gz MWAXWNQPHAUSHC-UHFFFAOYSA-N 2 2 329.513 4.118 20 0 EIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)s1 ZINC000685459737 1030358755 /nfs/dbraw/zinc/35/87/55/1030358755.db2.gz MWAXWNQPHAUSHC-UHFFFAOYSA-N 2 2 329.513 4.118 20 0 EIADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189462603 1030467091 /nfs/dbraw/zinc/46/70/91/1030467091.db2.gz LHBPBAVLKVNEII-UZLBHIALSA-N 2 2 333.435 4.355 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1csc(Cl)c1 ZINC000191293576 1030614067 /nfs/dbraw/zinc/61/40/67/1030614067.db2.gz LHOQCNUIDXFBKL-ZQIUZPCESA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1csc(Cl)c1 ZINC000191293576 1030614077 /nfs/dbraw/zinc/61/40/77/1030614077.db2.gz LHOQCNUIDXFBKL-ZQIUZPCESA-N 2 2 349.931 4.358 20 0 EIADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000122200465 1030734723 /nfs/dbraw/zinc/73/47/23/1030734723.db2.gz JZEZMQCZWMAXKF-OAHLLOKOSA-N 2 2 340.496 4.393 20 0 EIADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657981498 1030736467 /nfs/dbraw/zinc/73/64/67/1030736467.db2.gz ROVRRCUVJKFGEG-UWVAXJGDSA-N 2 2 325.500 4.178 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000093644178 1030739943 /nfs/dbraw/zinc/73/99/43/1030739943.db2.gz KJHJAGJMJGFZQR-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000093644178 1030739955 /nfs/dbraw/zinc/73/99/55/1030739955.db2.gz KJHJAGJMJGFZQR-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644178 1030739973 /nfs/dbraw/zinc/73/99/73/1030739973.db2.gz KJHJAGJMJGFZQR-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644178 1030739993 /nfs/dbraw/zinc/73/99/93/1030739993.db2.gz KJHJAGJMJGFZQR-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000527649315 1030800264 /nfs/dbraw/zinc/80/02/64/1030800264.db2.gz MSQCAMPAZOFQDE-ZDUSSCGKSA-N 2 2 327.463 4.157 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000658092368 1030820907 /nfs/dbraw/zinc/82/09/07/1030820907.db2.gz PZICLRLSLHPNAI-SOUVJXGZSA-N 2 2 331.529 4.251 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000658092368 1030820912 /nfs/dbraw/zinc/82/09/12/1030820912.db2.gz PZICLRLSLHPNAI-SOUVJXGZSA-N 2 2 331.529 4.251 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1 ZINC000658195084 1030878251 /nfs/dbraw/zinc/87/82/51/1030878251.db2.gz MGGYLWYTRVUDRO-XVAXZDLZSA-N 2 2 331.463 4.240 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925278 1030922997 /nfs/dbraw/zinc/92/29/97/1030922997.db2.gz MDNBYPWATRRAJK-VGOFRKELSA-N 2 2 341.543 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925278 1030923016 /nfs/dbraw/zinc/92/30/16/1030923016.db2.gz MDNBYPWATRRAJK-VGOFRKELSA-N 2 2 341.543 4.098 20 0 EIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294476 1030960383 /nfs/dbraw/zinc/96/03/83/1030960383.db2.gz HXKFUFKVWBCVFS-UXHICEINSA-N 2 2 336.564 4.214 20 0 EIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294475 1030960994 /nfs/dbraw/zinc/96/09/94/1030960994.db2.gz HXKFUFKVWBCVFS-PMACEKPBSA-N 2 2 336.564 4.214 20 0 EIADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)CCC2 ZINC000531212963 1030986374 /nfs/dbraw/zinc/98/63/74/1030986374.db2.gz LOCMTWYZZGLGIM-HNNXBMFYSA-N 2 2 330.501 4.055 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001168193459 1031008127 /nfs/dbraw/zinc/00/81/27/1031008127.db2.gz QACFMVOSKQBZLJ-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532514397 1031245954 /nfs/dbraw/zinc/24/59/54/1031245954.db2.gz BYCLPZOYMBXYEZ-FQEVSTJZSA-N 2 2 330.516 4.007 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000120078588 1031420896 /nfs/dbraw/zinc/42/08/96/1031420896.db2.gz VLNARIQYRAUNLW-OXJNMPFZSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000120078588 1031420912 /nfs/dbraw/zinc/42/09/12/1031420912.db2.gz VLNARIQYRAUNLW-OXJNMPFZSA-N 2 2 349.478 4.136 20 0 EIADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000449077623 1031435543 /nfs/dbraw/zinc/43/55/43/1031435543.db2.gz SDDFCRNMYGZQJG-SJLPKXTDSA-N 2 2 343.902 4.341 20 0 EIADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000528443527 1031509054 /nfs/dbraw/zinc/50/90/54/1031509054.db2.gz QCZCWEGGPRAFTH-QRWLVFNGSA-N 2 2 339.414 4.050 20 0 EIADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cs1 ZINC000449196021 1031516689 /nfs/dbraw/zinc/51/66/89/1031516689.db2.gz WIGBZICAAZZFKY-IBGZPJMESA-N 2 2 325.481 4.401 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000528441682 1031526506 /nfs/dbraw/zinc/52/65/06/1031526506.db2.gz QSFCYZNFZMJMRL-HOTGVXAUSA-N 2 2 343.540 4.347 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000528441682 1031526514 /nfs/dbraw/zinc/52/65/14/1031526514.db2.gz QSFCYZNFZMJMRL-HOTGVXAUSA-N 2 2 343.540 4.347 20 0 EIADLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449318710 1031632853 /nfs/dbraw/zinc/63/28/53/1031632853.db2.gz DPOHZXLQXKKCGO-SFHVURJKSA-N 2 2 346.563 4.140 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)n2c1CCCC2 ZINC000282046050 1031795406 /nfs/dbraw/zinc/79/54/06/1031795406.db2.gz LTJBZWUKJBVSEC-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)n2c1CCCC2 ZINC000282046050 1031795419 /nfs/dbraw/zinc/79/54/19/1031795419.db2.gz LTJBZWUKJBVSEC-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP CC(C)[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1cccnc1 ZINC000453243623 1031799369 /nfs/dbraw/zinc/79/93/69/1031799369.db2.gz ZLXQKVCRAJDMSX-IBGZPJMESA-N 2 2 340.858 4.408 20 0 EIADLP C[C@@H](c1cccs1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459327110 1031821455 /nfs/dbraw/zinc/82/14/55/1031821455.db2.gz OHXFOGXADXUYFV-INIZCTEOSA-N 2 2 325.481 4.288 20 0 EIADLP C[C@@H](c1cccs1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459327110 1031821456 /nfs/dbraw/zinc/82/14/56/1031821456.db2.gz OHXFOGXADXUYFV-INIZCTEOSA-N 2 2 325.481 4.288 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000531946875 1031857005 /nfs/dbraw/zinc/85/70/05/1031857005.db2.gz DVMFKXHMCFIUIG-GOSISDBHSA-N 2 2 349.478 4.142 20 0 EIADLP Clc1ccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000531947978 1031860579 /nfs/dbraw/zinc/86/05/79/1031860579.db2.gz WZAQUEHAGYKKQI-LJQANCHMSA-N 2 2 325.843 4.110 20 0 EIADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453351331 1031877849 /nfs/dbraw/zinc/87/78/49/1031877849.db2.gz IHTZWQANTTZZCI-QFBILLFUSA-N 2 2 327.497 4.152 20 0 EIADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453351331 1031877855 /nfs/dbraw/zinc/87/78/55/1031877855.db2.gz IHTZWQANTTZZCI-QFBILLFUSA-N 2 2 327.497 4.152 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000531974835 1031914016 /nfs/dbraw/zinc/91/40/16/1031914016.db2.gz OWISQOOJYFJQMN-LEWJYISDSA-N 2 2 344.543 4.192 20 0 EIADLP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459358552 1031921883 /nfs/dbraw/zinc/92/18/83/1031921883.db2.gz BCRZSWPARSLNLY-JPYJTQIMSA-N 2 2 345.490 4.041 20 0 EIADLP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459358552 1031921892 /nfs/dbraw/zinc/92/18/92/1031921892.db2.gz BCRZSWPARSLNLY-JPYJTQIMSA-N 2 2 345.490 4.041 20 0 EIADLP CC(C)CCc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)[nH+]c1 ZINC000449713297 1031949623 /nfs/dbraw/zinc/94/96/23/1031949623.db2.gz XAACHZYOVCISTQ-UHFFFAOYSA-N 2 2 338.499 4.142 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264681 1032025751 /nfs/dbraw/zinc/02/57/51/1032025751.db2.gz LKHFTQMVZLDIST-QWQRMKEZSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264681 1032025765 /nfs/dbraw/zinc/02/57/65/1032025765.db2.gz LKHFTQMVZLDIST-QWQRMKEZSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264681 1032025789 /nfs/dbraw/zinc/02/57/89/1032025789.db2.gz LKHFTQMVZLDIST-QWQRMKEZSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168264681 1032025810 /nfs/dbraw/zinc/02/58/10/1032025810.db2.gz LKHFTQMVZLDIST-QWQRMKEZSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513073813 1034494001 /nfs/dbraw/zinc/49/40/01/1034494001.db2.gz GBDOOWZMHDZXBT-NQIIRXRSSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513073813 1034494015 /nfs/dbraw/zinc/49/40/15/1034494015.db2.gz GBDOOWZMHDZXBT-NQIIRXRSSA-N 2 2 345.490 4.378 20 0 EIADLP CC[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000237075265 1034546318 /nfs/dbraw/zinc/54/63/18/1034546318.db2.gz IJQQNXGXLHUKMY-HKUYNNGSSA-N 2 2 329.532 4.280 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513340326 1034882011 /nfs/dbraw/zinc/88/20/11/1034882011.db2.gz IYIKIJDTVCUHCF-CABCVRRESA-N 2 2 341.421 4.009 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000513478472 1034980887 /nfs/dbraw/zinc/98/08/87/1034980887.db2.gz DRGWQHZCYIIACE-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000513478472 1034980896 /nfs/dbraw/zinc/98/08/96/1034980896.db2.gz DRGWQHZCYIIACE-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Clc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000513636132 1035072133 /nfs/dbraw/zinc/07/21/33/1035072133.db2.gz WLLHWTRJJVIVCU-UHFFFAOYSA-N 2 2 343.883 4.272 20 0 EIADLP Fc1ccccc1-c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000345691989 1035288157 /nfs/dbraw/zinc/28/81/57/1035288157.db2.gz FONQPHHPURKRSW-UHFFFAOYSA-N 2 2 342.443 4.052 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034123 1035360533 /nfs/dbraw/zinc/36/05/33/1035360533.db2.gz XFANUHDJSQYXHE-UKRRQHHQSA-N 2 2 337.389 4.412 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034123 1035360540 /nfs/dbraw/zinc/36/05/40/1035360540.db2.gz XFANUHDJSQYXHE-UKRRQHHQSA-N 2 2 337.389 4.412 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278247 1035495262 /nfs/dbraw/zinc/49/52/62/1035495262.db2.gz VEUCQJDTSZJFOU-GJZGRUSLSA-N 2 2 347.890 4.296 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278247 1035495275 /nfs/dbraw/zinc/49/52/75/1035495275.db2.gz VEUCQJDTSZJFOU-GJZGRUSLSA-N 2 2 347.890 4.296 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000156592953 1036053772 /nfs/dbraw/zinc/05/37/72/1036053772.db2.gz QJSDZLJIIJPCDX-JSGCOSHPSA-N 2 2 344.471 4.145 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000156592953 1036053797 /nfs/dbraw/zinc/05/37/97/1036053797.db2.gz QJSDZLJIIJPCDX-JSGCOSHPSA-N 2 2 344.471 4.145 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ncsc2c1 ZINC000485710053 1036185034 /nfs/dbraw/zinc/18/50/34/1036185034.db2.gz LPEHFUTUFZVXBD-AWEZNQCLSA-N 2 2 338.480 4.011 20 0 EIADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502451899 1036223248 /nfs/dbraw/zinc/22/32/48/1036223248.db2.gz LSXIPYCNKNTMHG-CEWLAPEOSA-N 2 2 341.499 4.036 20 0 EIADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000272036170 1037082078 /nfs/dbraw/zinc/08/20/78/1037082078.db2.gz XJQBXJPCBOKKRY-LJQANCHMSA-N 2 2 337.471 4.041 20 0 EIADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000272036170 1037082101 /nfs/dbraw/zinc/08/21/01/1037082101.db2.gz XJQBXJPCBOKKRY-LJQANCHMSA-N 2 2 337.471 4.041 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572986936 1037091608 /nfs/dbraw/zinc/09/16/08/1037091608.db2.gz YFHREQAAAAGCRK-NSHDSACASA-N 2 2 344.459 4.150 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC000272667650 1037261122 /nfs/dbraw/zinc/26/11/22/1037261122.db2.gz JNTLAJIHNWNFRY-MRXNPFEDSA-N 2 2 340.433 4.113 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273290091 1037399800 /nfs/dbraw/zinc/39/98/00/1037399800.db2.gz POVKMWHRIPSDAR-SJLPKXTDSA-N 2 2 339.483 4.084 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273290091 1037399820 /nfs/dbraw/zinc/39/98/20/1037399820.db2.gz POVKMWHRIPSDAR-SJLPKXTDSA-N 2 2 339.483 4.084 20 0 EIADLP Cc1cccc(CC[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000573288730 1037447838 /nfs/dbraw/zinc/44/78/38/1037447838.db2.gz HXTKCCBTWXUFGN-IBGZPJMESA-N 2 2 333.479 4.351 20 0 EIADLP Clc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866489 1037645900 /nfs/dbraw/zinc/64/59/00/1037645900.db2.gz AEYMBXNSXRCNHT-KRWDZBQOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866489 1037645914 /nfs/dbraw/zinc/64/59/14/1037645914.db2.gz AEYMBXNSXRCNHT-KRWDZBQOSA-N 2 2 342.830 4.029 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380012 1037732329 /nfs/dbraw/zinc/73/23/29/1037732329.db2.gz VIQXHYGZGGHGLQ-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380012 1037732349 /nfs/dbraw/zinc/73/23/49/1037732349.db2.gz VIQXHYGZGGHGLQ-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405003 1037738477 /nfs/dbraw/zinc/73/84/77/1037738477.db2.gz IQZPGIUDGYFHCS-HXUWFJFHSA-N 2 2 337.511 4.204 20 0 EIADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405003 1037738502 /nfs/dbraw/zinc/73/85/02/1037738502.db2.gz IQZPGIUDGYFHCS-HXUWFJFHSA-N 2 2 337.511 4.204 20 0 EIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000503558704 1037818868 /nfs/dbraw/zinc/81/88/68/1037818868.db2.gz WPGZIHZBFCKMKN-IBGZPJMESA-N 2 2 335.426 4.356 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC000422745041 1037822442 /nfs/dbraw/zinc/82/24/42/1037822442.db2.gz ULQQAESAYUWCMU-GOTSBHOMSA-N 3 2 349.522 4.153 20 0 EIADLP Cc1sc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422878697 1037852658 /nfs/dbraw/zinc/85/26/58/1037852658.db2.gz UDQBRSQIERUCRC-MNOVXSKESA-N 2 2 335.904 4.030 20 0 EIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000422906693 1037863913 /nfs/dbraw/zinc/86/39/13/1037863913.db2.gz AEZDDLXWIVZOTL-INMHGKMJSA-N 2 2 344.528 4.167 20 0 EIADLP C[C@H]([NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422931767 1037873109 /nfs/dbraw/zinc/87/31/09/1037873109.db2.gz CVAQKFJZFNUDOM-LBPRGKRZSA-N 2 2 335.278 4.280 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc2cc1C ZINC000423193123 1038050528 /nfs/dbraw/zinc/05/05/28/1038050528.db2.gz WOTFHMGZEUALAL-QGZVFWFLSA-N 2 2 337.467 4.275 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000423240579 1038057159 /nfs/dbraw/zinc/05/71/59/1038057159.db2.gz KRPNLMFZVIOGMF-HNAYVOBHSA-N 2 2 342.483 4.178 20 0 EIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423231655 1038068284 /nfs/dbraw/zinc/06/82/84/1038068284.db2.gz AWUFAVGDGZPZFN-VFNWGFHPSA-N 2 2 339.483 4.119 20 0 EIADLP C[N@H+](CCSc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513803135 1038069926 /nfs/dbraw/zinc/06/99/26/1038069926.db2.gz AHTTUNSWLFKWHY-UHFFFAOYSA-N 2 2 340.536 4.375 20 0 EIADLP C[N@@H+](CCSc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513803135 1038069950 /nfs/dbraw/zinc/06/99/50/1038069950.db2.gz AHTTUNSWLFKWHY-UHFFFAOYSA-N 2 2 340.536 4.375 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC[NH2+]1 ZINC000423387573 1038198848 /nfs/dbraw/zinc/19/88/48/1038198848.db2.gz SLZLGDOIDROTAZ-UPKQVVFYSA-N 2 2 349.453 4.193 20 0 EIADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc2ccccc2c1 ZINC000423406887 1038219835 /nfs/dbraw/zinc/21/98/35/1038219835.db2.gz VFRVCJGNGPCDBM-PDGJWGCVSA-N 2 2 338.495 4.025 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574958 1038220040 /nfs/dbraw/zinc/22/00/40/1038220040.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574958 1038220063 /nfs/dbraw/zinc/22/00/63/1038220063.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574958 1038220089 /nfs/dbraw/zinc/22/00/89/1038220089.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574958 1038220112 /nfs/dbraw/zinc/22/01/12/1038220112.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423448589 1038229264 /nfs/dbraw/zinc/22/92/64/1038229264.db2.gz QPADWMRONXKXGQ-INIZCTEOSA-N 2 2 332.451 4.081 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423517028 1038273162 /nfs/dbraw/zinc/27/31/62/1038273162.db2.gz YKRSPHMIFKZCTC-MTNREXPMSA-N 2 2 338.495 4.006 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423518020 1038274325 /nfs/dbraw/zinc/27/43/25/1038274325.db2.gz ZAPXYKSXSQXWFT-MOPGFXCFSA-N 2 2 342.483 4.007 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173491029 1038373659 /nfs/dbraw/zinc/37/36/59/1038373659.db2.gz QUTBSYLNDYJBQC-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000173491029 1038373671 /nfs/dbraw/zinc/37/36/71/1038373671.db2.gz QUTBSYLNDYJBQC-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491029 1038373685 /nfs/dbraw/zinc/37/36/85/1038373685.db2.gz QUTBSYLNDYJBQC-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491029 1038373699 /nfs/dbraw/zinc/37/36/99/1038373699.db2.gz QUTBSYLNDYJBQC-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608068898 1038489451 /nfs/dbraw/zinc/48/94/51/1038489451.db2.gz KQUIPDLHJMNIDF-ATZDWAIDSA-N 2 2 335.451 4.210 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000608073953 1038496535 /nfs/dbraw/zinc/49/65/35/1038496535.db2.gz PUYYJNUGMHUUTA-SFHVURJKSA-N 2 2 325.843 4.147 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000480745783 1038785176 /nfs/dbraw/zinc/78/51/76/1038785176.db2.gz XHLHTSQKMGOGGO-QFIPXVFZSA-N 2 2 349.453 4.280 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539199596 1038876601 /nfs/dbraw/zinc/87/66/01/1038876601.db2.gz IGCUYQAGXBSHIB-HXUWFJFHSA-N 2 2 348.506 4.064 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CSc4ccccc43)CC2)cc1 ZINC000462118184 1038932441 /nfs/dbraw/zinc/93/24/41/1038932441.db2.gz DLGMFWRPXIFMKL-FQEVSTJZSA-N 2 2 338.520 4.130 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481045423 1038976383 /nfs/dbraw/zinc/97/63/83/1038976383.db2.gz XDVPTBVWDXHOBP-JKSUJKDBSA-N 2 2 339.414 4.130 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071570 1039095993 /nfs/dbraw/zinc/09/59/93/1039095993.db2.gz PIUOXVGACWSHQS-DOTOQJQBSA-N 2 2 335.561 4.495 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071570 1039096021 /nfs/dbraw/zinc/09/60/21/1039096021.db2.gz PIUOXVGACWSHQS-DOTOQJQBSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071570 1039096045 /nfs/dbraw/zinc/09/60/45/1039096045.db2.gz PIUOXVGACWSHQS-DOTOQJQBSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071570 1039096065 /nfs/dbraw/zinc/09/60/65/1039096065.db2.gz PIUOXVGACWSHQS-DOTOQJQBSA-N 2 2 335.561 4.495 20 0 EIADLP c1ccc(NC2CC[NH+](CCOc3cccc4ccccc43)CC2)[nH+]c1 ZINC000534129276 1039147972 /nfs/dbraw/zinc/14/79/72/1039147972.db2.gz VBXMFXSAKCJGPD-UHFFFAOYSA-N 2 2 347.462 4.190 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301018 1039265851 /nfs/dbraw/zinc/26/58/51/1039265851.db2.gz WXKVLGFYMPPQLL-JQWIXIFHSA-N 2 2 333.328 4.364 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000481301018 1039265904 /nfs/dbraw/zinc/26/59/04/1039265904.db2.gz WXKVLGFYMPPQLL-JQWIXIFHSA-N 2 2 333.328 4.364 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)n2c1CCCC2 ZINC000503406874 1039347227 /nfs/dbraw/zinc/34/72/27/1039347227.db2.gz OCLNYOMUBDIIIR-SFHVURJKSA-N 2 2 345.531 4.138 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](CCOC3CCCCCC3)C2)n2c1CCCC2 ZINC000503406874 1039347244 /nfs/dbraw/zinc/34/72/44/1039347244.db2.gz OCLNYOMUBDIIIR-SFHVURJKSA-N 2 2 345.531 4.138 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042474 1039364869 /nfs/dbraw/zinc/36/48/69/1039364869.db2.gz PRTZFRLMFLXUSB-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042474 1039364885 /nfs/dbraw/zinc/36/48/85/1039364885.db2.gz PRTZFRLMFLXUSB-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042474 1039364903 /nfs/dbraw/zinc/36/49/03/1039364903.db2.gz PRTZFRLMFLXUSB-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000478042474 1039364914 /nfs/dbraw/zinc/36/49/14/1039364914.db2.gz PRTZFRLMFLXUSB-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000414852579 1039859770 /nfs/dbraw/zinc/85/97/70/1039859770.db2.gz WBXATZBCGCKECY-HXUWFJFHSA-N 2 2 337.442 4.287 20 0 EIADLP CCCNc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000434760461 1039862211 /nfs/dbraw/zinc/86/22/11/1039862211.db2.gz ZNCOTPGETTZMBX-UHFFFAOYSA-N 2 2 326.469 4.046 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000551087224 1039970657 /nfs/dbraw/zinc/97/06/57/1039970657.db2.gz NKZHCSCIHOQXRL-YTQUADARSA-N 2 2 342.870 4.199 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@@H]1c1ccccc1 ZINC000551087224 1039970678 /nfs/dbraw/zinc/97/06/78/1039970678.db2.gz NKZHCSCIHOQXRL-YTQUADARSA-N 2 2 342.870 4.199 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C(C)C)cc1 ZINC000553100970 1039988475 /nfs/dbraw/zinc/98/84/75/1039988475.db2.gz IUZVIVONDPXNCC-NRFANRHFSA-N 2 2 335.451 4.368 20 0 EIADLP Fc1cc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)ccc1-n1cc[nH+]c1 ZINC000479194316 1040190170 /nfs/dbraw/zinc/19/01/70/1040190170.db2.gz NOGSYARBEFMWKA-SFHVURJKSA-N 2 2 341.817 4.442 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000479212400 1040210617 /nfs/dbraw/zinc/21/06/17/1040210617.db2.gz FLJGYJNJYKFRRO-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP CCC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000482513123 1040319683 /nfs/dbraw/zinc/31/96/83/1040319683.db2.gz RKYXSTPZSAPZSJ-HZGZPEGRSA-N 2 2 329.532 4.098 20 0 EIADLP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000482513123 1040319701 /nfs/dbraw/zinc/31/97/01/1040319701.db2.gz RKYXSTPZSAPZSJ-HZGZPEGRSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000551549906 1040400925 /nfs/dbraw/zinc/40/09/25/1040400925.db2.gz TXOZASVTCZUXTQ-HNNXBMFYSA-N 2 2 325.843 4.382 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000539469717 1040460498 /nfs/dbraw/zinc/46/04/98/1040460498.db2.gz XOWUKMWCRFVOSE-MDZRGWNJSA-N 2 2 344.524 4.466 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000539469717 1040460503 /nfs/dbraw/zinc/46/05/03/1040460503.db2.gz XOWUKMWCRFVOSE-MDZRGWNJSA-N 2 2 344.524 4.466 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000667563645 1040713123 /nfs/dbraw/zinc/71/31/23/1040713123.db2.gz KWRCELJWQCNICK-UHFFFAOYSA-N 2 2 338.480 4.221 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483136938 1040716274 /nfs/dbraw/zinc/71/62/74/1040716274.db2.gz SFXJAOLZQSIUHN-UYAOXDASSA-N 2 2 346.478 4.192 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000479874863 1040736866 /nfs/dbraw/zinc/73/68/66/1040736866.db2.gz KMAXSPGZAWSXKB-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000479874863 1040736878 /nfs/dbraw/zinc/73/68/78/1040736878.db2.gz KMAXSPGZAWSXKB-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000479862785 1040751093 /nfs/dbraw/zinc/75/10/93/1040751093.db2.gz SFCFMPYRKUOVNG-NSHDSACASA-N 2 2 334.838 4.180 20 0 EIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483424203 1040850298 /nfs/dbraw/zinc/85/02/98/1040850298.db2.gz CRXMQDUQMBUFOM-OAHLLOKOSA-N 2 2 339.405 4.245 20 0 EIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483424203 1040850310 /nfs/dbraw/zinc/85/03/10/1040850310.db2.gz CRXMQDUQMBUFOM-OAHLLOKOSA-N 2 2 339.405 4.245 20 0 EIADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000462799215 1040931601 /nfs/dbraw/zinc/93/16/01/1040931601.db2.gz XAURNDCSNOHGLQ-INIZCTEOSA-N 2 2 342.458 4.150 20 0 EIADLP CCOc1ccccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537976172 1040948348 /nfs/dbraw/zinc/94/83/48/1040948348.db2.gz ODFOGQOFVREBIA-KRWDZBQOSA-N 2 2 335.451 4.164 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721764 1040972911 /nfs/dbraw/zinc/97/29/11/1040972911.db2.gz ITQCGDZBSZDJID-MDZLAQPJSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721764 1040972933 /nfs/dbraw/zinc/97/29/33/1040972933.db2.gz ITQCGDZBSZDJID-MDZLAQPJSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000554317855 1040980257 /nfs/dbraw/zinc/98/02/57/1040980257.db2.gz LTVNJNOASMAPJL-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000554317855 1040980277 /nfs/dbraw/zinc/98/02/77/1040980277.db2.gz LTVNJNOASMAPJL-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317855 1040980296 /nfs/dbraw/zinc/98/02/96/1040980296.db2.gz LTVNJNOASMAPJL-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317855 1040980316 /nfs/dbraw/zinc/98/03/16/1040980316.db2.gz LTVNJNOASMAPJL-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000436251593 1041005141 /nfs/dbraw/zinc/00/51/41/1041005141.db2.gz ZBTFJXLAKNRXTH-AWEZNQCLSA-N 2 2 334.398 4.344 20 0 EIADLP Cc1cc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)ccc1Cl ZINC000462914568 1041094958 /nfs/dbraw/zinc/09/49/58/1041094958.db2.gz RGQAZFCZLGUOAU-UHFFFAOYSA-N 2 2 331.872 4.228 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000484274640 1041188420 /nfs/dbraw/zinc/18/84/20/1041188420.db2.gz IHEQJHMPUJACSR-ZDUSSCGKSA-N 2 2 339.361 4.133 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000484273500 1041188837 /nfs/dbraw/zinc/18/88/37/1041188837.db2.gz FFURLEPPJPEPJK-CYBMUJFWSA-N 2 2 339.361 4.133 20 0 EIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000540149873 1041194649 /nfs/dbraw/zinc/19/46/49/1041194649.db2.gz BFFHUPIEYYSMHB-JRGCBEDISA-N 2 2 329.532 4.411 20 0 EIADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540173661 1041218701 /nfs/dbraw/zinc/21/87/01/1041218701.db2.gz HGHVAIYIXKKUIN-OXQOHEQNSA-N 2 2 333.435 4.273 20 0 EIADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540173655 1041219628 /nfs/dbraw/zinc/21/96/28/1041219628.db2.gz HGHVAIYIXKKUIN-JXFKEZNVSA-N 2 2 333.435 4.273 20 0 EIADLP CCOc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000540162605 1041224739 /nfs/dbraw/zinc/22/47/39/1041224739.db2.gz AVCPQWRDINUKSN-KRWDZBQOSA-N 2 2 335.451 4.164 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000463138072 1041373260 /nfs/dbraw/zinc/37/32/60/1041373260.db2.gz OIMGXGBFFVYWHN-OAHLLOKOSA-N 2 2 332.488 4.245 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556219 1041391039 /nfs/dbraw/zinc/39/10/39/1041391039.db2.gz QAZGHOBZPINPMA-VQTJNVASSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556219 1041391050 /nfs/dbraw/zinc/39/10/50/1041391050.db2.gz QAZGHOBZPINPMA-VQTJNVASSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556219 1041391061 /nfs/dbraw/zinc/39/10/61/1041391061.db2.gz QAZGHOBZPINPMA-VQTJNVASSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000480556219 1041391070 /nfs/dbraw/zinc/39/10/70/1041391070.db2.gz QAZGHOBZPINPMA-VQTJNVASSA-N 2 2 342.527 4.154 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2cccc(Br)c21 ZINC000480605454 1041428767 /nfs/dbraw/zinc/42/87/67/1041428767.db2.gz BGFGVMPHZWIWGY-VZEFYGNVSA-N 2 2 349.316 4.214 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2cccc(Br)c21 ZINC000480605454 1041428773 /nfs/dbraw/zinc/42/87/73/1041428773.db2.gz BGFGVMPHZWIWGY-VZEFYGNVSA-N 2 2 349.316 4.214 20 0 EIADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)o2)c1F ZINC000480632943 1041447332 /nfs/dbraw/zinc/44/73/32/1041447332.db2.gz DGAGJCLBBIYOLG-UHFFFAOYSA-N 2 2 346.421 4.189 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000554890518 1041474873 /nfs/dbraw/zinc/47/48/73/1041474873.db2.gz ZOMKCSTUCRJKNY-YADHBBJMSA-N 2 2 331.463 4.357 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000538753986 1041530039 /nfs/dbraw/zinc/53/00/39/1041530039.db2.gz RVALWVPRWGLORV-MISYRCLQSA-N 2 2 325.500 4.278 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000540543979 1041532343 /nfs/dbraw/zinc/53/23/43/1041532343.db2.gz JQWWBSBROMTWIJ-AWEZNQCLSA-N 2 2 343.377 4.132 20 0 EIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000437081021 1041629003 /nfs/dbraw/zinc/62/90/03/1041629003.db2.gz GNEHNCDPBMYALT-RIFZZMRRSA-N 2 2 346.490 4.282 20 0 EIADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437107244 1041651120 /nfs/dbraw/zinc/65/11/20/1041651120.db2.gz ANNFELOGRFCNPW-BBRMVZONSA-N 2 2 325.378 4.500 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516897030 1041806092 /nfs/dbraw/zinc/80/60/92/1041806092.db2.gz XVRBYYBCLDKVJJ-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP C[C@H]([NH2+]CCOc1ccccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000541080873 1041809295 /nfs/dbraw/zinc/80/92/95/1041809295.db2.gz KYUGIWYJUBSFRH-HNNXBMFYSA-N 2 2 341.842 4.255 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000516992122 1041833625 /nfs/dbraw/zinc/83/36/25/1041833625.db2.gz AZMNFVZELGEUGU-LAUBAEHRSA-N 2 2 331.463 4.312 20 0 EIADLP COc1cccc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541204325 1041846306 /nfs/dbraw/zinc/84/63/06/1041846306.db2.gz VHTYXCBWSPFAKI-KRWDZBQOSA-N 2 2 327.472 4.145 20 0 EIADLP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536595 1041999385 /nfs/dbraw/zinc/99/93/85/1041999385.db2.gz CWDFCQMVGIDHCD-WOJBJXKFSA-N 2 2 343.559 4.237 20 0 EIADLP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536595 1041999390 /nfs/dbraw/zinc/99/93/90/1041999390.db2.gz CWDFCQMVGIDHCD-WOJBJXKFSA-N 2 2 343.559 4.237 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000517442273 1042015142 /nfs/dbraw/zinc/01/51/42/1042015142.db2.gz PGWBXICXDVEJJZ-CQSZACIVSA-N 2 2 343.883 4.439 20 0 EIADLP C[C@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)Cn1cc[nH+]c1 ZINC000517561904 1042079827 /nfs/dbraw/zinc/07/98/27/1042079827.db2.gz UMMLOYVAZRJVKR-CYBMUJFWSA-N 2 2 346.887 4.086 20 0 EIADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(OC2CCCC2)c1 ZINC000506370357 1042359886 /nfs/dbraw/zinc/35/98/86/1042359886.db2.gz PAUDTWXFWBPOBN-UHFFFAOYSA-N 2 2 342.527 4.458 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000426349438 1042581529 /nfs/dbraw/zinc/58/15/29/1042581529.db2.gz DWKURLTYAYGGGB-CRAIPNDOSA-N 2 2 333.520 4.068 20 0 EIADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000518766296 1042675963 /nfs/dbraw/zinc/67/59/63/1042675963.db2.gz SZHMPFJVPNTLBE-UHFFFAOYSA-N 2 2 338.495 4.012 20 0 EIADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000518766296 1042675967 /nfs/dbraw/zinc/67/59/67/1042675967.db2.gz SZHMPFJVPNTLBE-UHFFFAOYSA-N 2 2 338.495 4.012 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CSc1ccccc1)C(C)C)CCC2 ZINC000493033177 1042797005 /nfs/dbraw/zinc/79/70/05/1042797005.db2.gz CLOWIHZRWHECTH-HKUYNNGSSA-N 2 2 343.540 4.475 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000493174278 1042837787 /nfs/dbraw/zinc/83/77/87/1042837787.db2.gz IIIDZNMZEMRPSF-OXQOHEQNSA-N 2 2 341.474 4.487 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494078435 1043015255 /nfs/dbraw/zinc/01/52/55/1043015255.db2.gz KULZRXCNLOMEIL-UHFFFAOYSA-N 2 2 330.435 4.294 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494078435 1043015262 /nfs/dbraw/zinc/01/52/62/1043015262.db2.gz KULZRXCNLOMEIL-UHFFFAOYSA-N 2 2 330.435 4.294 20 0 EIADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cs1 ZINC000427846499 1043224741 /nfs/dbraw/zinc/22/47/41/1043224741.db2.gz SIKABSKWKSZHSL-FZMZJTMJSA-N 2 2 344.509 4.042 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427883651 1043249029 /nfs/dbraw/zinc/24/90/29/1043249029.db2.gz REFIDFKMVMVKNK-YESZJQIVSA-N 2 2 349.400 4.143 20 0 EIADLP FC(F)(F)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000186437983 1043281731 /nfs/dbraw/zinc/28/17/31/1043281731.db2.gz TVCPSJFBBVXFLY-SFHVURJKSA-N 2 2 345.368 4.308 20 0 EIADLP CCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242686 1043461915 /nfs/dbraw/zinc/46/19/15/1043461915.db2.gz WEBWELBOWQSTNO-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242686 1043461921 /nfs/dbraw/zinc/46/19/21/1043461921.db2.gz WEBWELBOWQSTNO-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242686 1043461932 /nfs/dbraw/zinc/46/19/32/1043461932.db2.gz WEBWELBOWQSTNO-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242686 1043461943 /nfs/dbraw/zinc/46/19/43/1043461943.db2.gz WEBWELBOWQSTNO-LPHOPBHVSA-N 2 2 341.499 4.030 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)s1 ZINC000895152767 1043507941 /nfs/dbraw/zinc/50/79/41/1043507941.db2.gz VNGNGQUCFCORQR-OAHLLOKOSA-N 2 2 347.915 4.083 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)s1 ZINC000895152767 1043507956 /nfs/dbraw/zinc/50/79/56/1043507956.db2.gz VNGNGQUCFCORQR-OAHLLOKOSA-N 2 2 347.915 4.083 20 0 EIADLP CC[NH+](CC)Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000190380094 1043706590 /nfs/dbraw/zinc/70/65/90/1043706590.db2.gz CIWVLOPIHYAHGE-UHFFFAOYSA-N 2 2 334.467 4.326 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1csc(Cl)c1 ZINC000191165459 1043789066 /nfs/dbraw/zinc/78/90/66/1043789066.db2.gz NIXQJNIWRXUUDQ-CYBMUJFWSA-N 2 2 331.872 4.497 20 0 EIADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000665295210 1043846074 /nfs/dbraw/zinc/84/60/74/1043846074.db2.gz AIOBCZDCCHEOFU-RISCZKNCSA-N 2 2 335.904 4.038 20 0 EIADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000191814594 1043849133 /nfs/dbraw/zinc/84/91/33/1043849133.db2.gz IMZMBZPGHCZOHI-ZDUSSCGKSA-N 2 2 349.466 4.073 20 0 EIADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000191814594 1043849135 /nfs/dbraw/zinc/84/91/35/1043849135.db2.gz IMZMBZPGHCZOHI-ZDUSSCGKSA-N 2 2 349.466 4.073 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(O)c2)c(C)c1 ZINC000442869509 1043870848 /nfs/dbraw/zinc/87/08/48/1043870848.db2.gz BKONAGMWZZFCMP-UTKZUKDTSA-N 2 2 335.451 4.298 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000192106238 1043875009 /nfs/dbraw/zinc/87/50/09/1043875009.db2.gz MUHZWCKFSYIOQE-HXUWFJFHSA-N 2 2 334.467 4.371 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000192147274 1043882654 /nfs/dbraw/zinc/88/26/54/1043882654.db2.gz YSODHVFNLZHRNM-AWEZNQCLSA-N 2 2 327.378 4.310 20 0 EIADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208729 1043882976 /nfs/dbraw/zinc/88/29/76/1043882976.db2.gz DMPNKQXYUXPJPH-KGVIQGDOSA-N 2 2 347.462 4.223 20 0 EIADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208729 1043882984 /nfs/dbraw/zinc/88/29/84/1043882984.db2.gz DMPNKQXYUXPJPH-KGVIQGDOSA-N 2 2 347.462 4.223 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000542494348 1043942240 /nfs/dbraw/zinc/94/22/40/1043942240.db2.gz LXLQVWGNTUTHEF-NQIIRXRSSA-N 2 2 326.484 4.327 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000542494348 1043942252 /nfs/dbraw/zinc/94/22/52/1043942252.db2.gz LXLQVWGNTUTHEF-NQIIRXRSSA-N 2 2 326.484 4.327 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195927 1044018993 /nfs/dbraw/zinc/01/89/93/1044018993.db2.gz PSZPHERDNSLCQQ-HIFRSBDPSA-N 2 2 325.378 4.025 20 0 EIADLP CCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000443099658 1044029854 /nfs/dbraw/zinc/02/98/54/1044029854.db2.gz BIZOUDQIDGFRMM-ROUUACIJSA-N 2 2 344.528 4.237 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207485 1044137125 /nfs/dbraw/zinc/13/71/25/1044137125.db2.gz CPKBTSFMRYJWFG-KDOFPFPSSA-N 2 2 327.859 4.156 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207485 1044137158 /nfs/dbraw/zinc/13/71/58/1044137158.db2.gz CPKBTSFMRYJWFG-KDOFPFPSSA-N 2 2 327.859 4.156 20 0 EIADLP c1cn(-c2csc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)c[nH+]1 ZINC000543245394 1044232619 /nfs/dbraw/zinc/23/26/19/1044232619.db2.gz OVSYRIOBJYLQQE-UHFFFAOYSA-N 2 2 335.432 4.484 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000522107119 1044241431 /nfs/dbraw/zinc/24/14/31/1044241431.db2.gz LGIAJDIUSOLSOS-ZDUSSCGKSA-N 2 2 348.288 4.140 20 0 EIADLP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000522107119 1044241448 /nfs/dbraw/zinc/24/14/48/1044241448.db2.gz LGIAJDIUSOLSOS-ZDUSSCGKSA-N 2 2 348.288 4.140 20 0 EIADLP CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658289226 1044256842 /nfs/dbraw/zinc/25/68/42/1044256842.db2.gz XOMBSCKRUXMIMB-HSQYWUDLSA-N 2 2 349.478 4.281 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cccc(Cl)n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018157 1044320867 /nfs/dbraw/zinc/32/08/67/1044320867.db2.gz YUBJRCBIKSYUSO-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018728 1044332324 /nfs/dbraw/zinc/33/23/24/1044332324.db2.gz DCNDWEHIFDWQQH-DMUMMCEESA-N 2 2 330.516 4.165 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018728 1044332345 /nfs/dbraw/zinc/33/23/45/1044332345.db2.gz DCNDWEHIFDWQQH-DMUMMCEESA-N 2 2 330.516 4.165 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000766192900 1044399784 /nfs/dbraw/zinc/39/97/84/1044399784.db2.gz XQLMNRGKHADQKP-NLWGTHIKSA-N 2 2 341.543 4.280 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000766192901 1044401793 /nfs/dbraw/zinc/40/17/93/1044401793.db2.gz XQLMNRGKHADQKP-QWFCFKBJSA-N 2 2 341.543 4.280 20 0 EIADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494972251 1044554987 /nfs/dbraw/zinc/55/49/87/1044554987.db2.gz KKVDNMDKQMBIMI-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494972251 1044555006 /nfs/dbraw/zinc/55/50/06/1044555006.db2.gz KKVDNMDKQMBIMI-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494972251 1044555017 /nfs/dbraw/zinc/55/50/17/1044555017.db2.gz KKVDNMDKQMBIMI-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494972251 1044555026 /nfs/dbraw/zinc/55/50/26/1044555026.db2.gz KKVDNMDKQMBIMI-BEFAXECRSA-N 2 2 348.918 4.187 20 0 EIADLP CSCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000922335853 1044562472 /nfs/dbraw/zinc/56/24/72/1044562472.db2.gz PUCYSUAMOFEAPA-FQEVSTJZSA-N 2 2 337.492 4.277 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675924120 1044566009 /nfs/dbraw/zinc/56/60/09/1044566009.db2.gz WATFWOWWVHHRRI-LEWJYISDSA-N 2 2 331.463 4.289 20 0 EIADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923902 1044566403 /nfs/dbraw/zinc/56/64/03/1044566403.db2.gz VGAPCUBXANJOOD-LEWJYISDSA-N 2 2 331.463 4.289 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000675924203 1044566922 /nfs/dbraw/zinc/56/69/22/1044566922.db2.gz WPLSHDIYSYREPW-PMACEKPBSA-N 2 2 335.426 4.120 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000522379965 1044673593 /nfs/dbraw/zinc/67/35/93/1044673593.db2.gz RNTGOYKKTHMVGQ-CQSZACIVSA-N 2 2 327.403 4.017 20 0 EIADLP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000474364588 1044887366 /nfs/dbraw/zinc/88/73/66/1044887366.db2.gz ZMASKAVJRYXBGE-UHFFFAOYSA-N 2 2 339.870 4.437 20 0 EIADLP Fc1cccc2c1SCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000178552112 1044890390 /nfs/dbraw/zinc/89/03/90/1044890390.db2.gz NENCSJIZPLFGGA-INIZCTEOSA-N 2 2 331.460 4.240 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912144 1044979319 /nfs/dbraw/zinc/97/93/19/1044979319.db2.gz DJYSTDCUTCZZFI-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912144 1044979330 /nfs/dbraw/zinc/97/93/30/1044979330.db2.gz DJYSTDCUTCZZFI-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000347912144 1044979339 /nfs/dbraw/zinc/97/93/39/1044979339.db2.gz DJYSTDCUTCZZFI-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000347912144 1044979348 /nfs/dbraw/zinc/97/93/48/1044979348.db2.gz DJYSTDCUTCZZFI-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922884161 1045037440 /nfs/dbraw/zinc/03/74/40/1045037440.db2.gz OKMRLESYRQUALN-SFTDATJTSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922884161 1045037450 /nfs/dbraw/zinc/03/74/50/1045037450.db2.gz OKMRLESYRQUALN-SFTDATJTSA-N 2 2 347.506 4.246 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)oc1C ZINC000282416860 1045138672 /nfs/dbraw/zinc/13/86/72/1045138672.db2.gz YKMRVVIXGAGAMG-ZDUSSCGKSA-N 2 2 327.403 4.380 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000347922386 1045142661 /nfs/dbraw/zinc/14/26/61/1045142661.db2.gz OEEUACKJDZNJQA-KSZLIROESA-N 2 2 340.515 4.094 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000487304842 1045226700 /nfs/dbraw/zinc/22/67/00/1045226700.db2.gz AXWOOCZIDYKDKT-QAPCUYQASA-N 2 2 341.524 4.163 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000487304842 1045226714 /nfs/dbraw/zinc/22/67/14/1045226714.db2.gz AXWOOCZIDYKDKT-QAPCUYQASA-N 2 2 341.524 4.163 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000495658873 1045272372 /nfs/dbraw/zinc/27/23/72/1045272372.db2.gz SFJRBFXIEJQNBF-KRWDZBQOSA-N 2 2 326.459 4.449 20 0 EIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237412391 1045383901 /nfs/dbraw/zinc/38/39/01/1045383901.db2.gz SMSXCKOGNQCMOT-MRXNPFEDSA-N 2 2 335.451 4.456 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246818780 1045831410 /nfs/dbraw/zinc/83/14/10/1045831410.db2.gz RHCXCGHKTMYJSZ-LPHOPBHVSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246818780 1045831411 /nfs/dbraw/zinc/83/14/11/1045831411.db2.gz RHCXCGHKTMYJSZ-LPHOPBHVSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246818780 1045831414 /nfs/dbraw/zinc/83/14/14/1045831414.db2.gz RHCXCGHKTMYJSZ-LPHOPBHVSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246818780 1045831416 /nfs/dbraw/zinc/83/14/16/1045831416.db2.gz RHCXCGHKTMYJSZ-LPHOPBHVSA-N 2 2 345.556 4.249 20 0 EIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)c[nH+]1 ZINC000075820275 1045850380 /nfs/dbraw/zinc/85/03/80/1045850380.db2.gz PJFBAIUWSCUSGN-UHFFFAOYSA-N 2 2 329.403 4.422 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OC ZINC000792277961 1045888188 /nfs/dbraw/zinc/88/81/88/1045888188.db2.gz XPQUUJJBYMPSSG-FQEVSTJZSA-N 2 2 335.451 4.430 20 0 EIADLP CCc1ccc([C@H](C[NH2+]C2CC(CF)(CF)C2)[NH+](CC)CC)cc1 ZINC001206046939 1046023923 /nfs/dbraw/zinc/02/39/23/1046023923.db2.gz BFEPJRYCKCXCSP-IBGZPJMESA-N 2 2 338.486 4.309 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000793526112 1046266392 /nfs/dbraw/zinc/26/63/92/1046266392.db2.gz XCSCTHUNBQQTRO-OBZTUIKSSA-N 2 2 341.499 4.088 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718304 1046375605 /nfs/dbraw/zinc/37/56/05/1046375605.db2.gz KSSYAGSSNSBTSZ-CVEARBPZSA-N 2 2 345.512 4.130 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718304 1046375619 /nfs/dbraw/zinc/37/56/19/1046375619.db2.gz KSSYAGSSNSBTSZ-CVEARBPZSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718304 1046375635 /nfs/dbraw/zinc/37/56/35/1046375635.db2.gz KSSYAGSSNSBTSZ-CVEARBPZSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718304 1046375654 /nfs/dbraw/zinc/37/56/54/1046375654.db2.gz KSSYAGSSNSBTSZ-CVEARBPZSA-N 2 2 345.512 4.130 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000536661962 1046632431 /nfs/dbraw/zinc/63/24/31/1046632431.db2.gz JKENQNLPXJFYDB-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000536661962 1046632439 /nfs/dbraw/zinc/63/24/39/1046632439.db2.gz JKENQNLPXJFYDB-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536661962 1046632443 /nfs/dbraw/zinc/63/24/43/1046632443.db2.gz JKENQNLPXJFYDB-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536661962 1046632451 /nfs/dbraw/zinc/63/24/51/1046632451.db2.gz JKENQNLPXJFYDB-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000379630757 1046733146 /nfs/dbraw/zinc/73/31/46/1046733146.db2.gz QMJGVLWCLWPPSP-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000379630757 1046733161 /nfs/dbraw/zinc/73/31/61/1046733161.db2.gz QMJGVLWCLWPPSP-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379652911 1046745160 /nfs/dbraw/zinc/74/51/60/1046745160.db2.gz YJEBSOYWXWRQHP-GHTZIAJQSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379652911 1046745163 /nfs/dbraw/zinc/74/51/63/1046745163.db2.gz YJEBSOYWXWRQHP-GHTZIAJQSA-N 2 2 345.490 4.378 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459525741 1046752265 /nfs/dbraw/zinc/75/22/65/1046752265.db2.gz VRPXGWJXXPXNEN-QGZVFWFLSA-N 2 2 326.406 4.205 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000459524170 1046753645 /nfs/dbraw/zinc/75/36/45/1046753645.db2.gz HPERJMZFECPQRS-ZJOUEHCJSA-N 2 2 335.495 4.203 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000459524170 1046753663 /nfs/dbraw/zinc/75/36/63/1046753663.db2.gz HPERJMZFECPQRS-ZJOUEHCJSA-N 2 2 335.495 4.203 20 0 EIADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770158 1046765206 /nfs/dbraw/zinc/76/52/06/1046765206.db2.gz DDYRUXMOMROAPQ-BZUAXINKSA-N 2 2 335.561 4.041 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770192 1046767012 /nfs/dbraw/zinc/76/70/12/1046767012.db2.gz DDYRUXMOMROAPQ-XHSDSOJGSA-N 2 2 335.561 4.041 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000536770192 1046767025 /nfs/dbraw/zinc/76/70/25/1046767025.db2.gz DDYRUXMOMROAPQ-XHSDSOJGSA-N 2 2 335.561 4.041 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000536772597 1046769435 /nfs/dbraw/zinc/76/94/35/1046769435.db2.gz NGNOUHNILYVPOR-HNNXBMFYSA-N 2 2 335.561 4.327 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000536772597 1046769448 /nfs/dbraw/zinc/76/94/48/1046769448.db2.gz NGNOUHNILYVPOR-HNNXBMFYSA-N 2 2 335.561 4.327 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nc2c(s1)CCC2 ZINC000459647044 1046833362 /nfs/dbraw/zinc/83/33/62/1046833362.db2.gz JRVUVNVCSYKTFH-INMHGKMJSA-N 2 2 347.572 4.326 20 0 EIADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536870177 1046833782 /nfs/dbraw/zinc/83/37/82/1046833782.db2.gz MYQKOVBOPHTZSQ-IRXDYDNUSA-N 2 2 335.451 4.163 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000536875695 1046837999 /nfs/dbraw/zinc/83/79/99/1046837999.db2.gz ITEVBPMBXHCUAC-CZAAIQMYSA-N 2 2 348.506 4.146 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000787165191 1046926320 /nfs/dbraw/zinc/92/63/20/1046926320.db2.gz QCGICGZEDVZHTM-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000787165191 1046926339 /nfs/dbraw/zinc/92/63/39/1046926339.db2.gz QCGICGZEDVZHTM-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000787165191 1046926350 /nfs/dbraw/zinc/92/63/50/1046926350.db2.gz QCGICGZEDVZHTM-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000787165191 1046926367 /nfs/dbraw/zinc/92/63/67/1046926367.db2.gz QCGICGZEDVZHTM-OXQOHEQNSA-N 2 2 341.474 4.014 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556064302 1047430133 /nfs/dbraw/zinc/43/01/33/1047430133.db2.gz WKPYHWVYEBJPMJ-OALUTQOASA-N 2 2 344.886 4.274 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556064302 1047430135 /nfs/dbraw/zinc/43/01/35/1047430135.db2.gz WKPYHWVYEBJPMJ-OALUTQOASA-N 2 2 344.886 4.274 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556078685 1047435713 /nfs/dbraw/zinc/43/57/13/1047435713.db2.gz YUFMXKBDVXWWHO-OALUTQOASA-N 2 2 344.499 4.473 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556078685 1047435743 /nfs/dbraw/zinc/43/57/43/1047435743.db2.gz YUFMXKBDVXWWHO-OALUTQOASA-N 2 2 344.499 4.473 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3CCc4ccccc43)cc2)CC1 ZINC000790052180 1047512262 /nfs/dbraw/zinc/51/22/62/1047512262.db2.gz DNALUFAJHIHFHW-LJQANCHMSA-N 2 2 349.522 4.359 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC000898032313 1047535869 /nfs/dbraw/zinc/53/58/69/1047535869.db2.gz ZRXFZEFPJPKDSU-UHFFFAOYSA-N 2 2 342.396 4.208 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556215437 1047567919 /nfs/dbraw/zinc/56/79/19/1047567919.db2.gz ZVMGHTBFAQSIIJ-YFXJRYMSSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000556215437 1047567929 /nfs/dbraw/zinc/56/79/29/1047567929.db2.gz ZVMGHTBFAQSIIJ-YFXJRYMSSA-N 2 2 349.522 4.075 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000130431592 1047709230 /nfs/dbraw/zinc/70/92/30/1047709230.db2.gz DCGJUOUPXCASCS-FCHUYYIVSA-N 2 2 345.490 4.400 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000550621430 1047765480 /nfs/dbraw/zinc/76/54/80/1047765480.db2.gz BBWFUBYBMZNJEE-LJQANCHMSA-N 2 2 343.902 4.026 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000556598242 1047834459 /nfs/dbraw/zinc/83/44/59/1047834459.db2.gz IWCZBWCXMXAXIZ-CZUORRHYSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000556598242 1047834460 /nfs/dbraw/zinc/83/44/60/1047834460.db2.gz IWCZBWCXMXAXIZ-CZUORRHYSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598242 1047834462 /nfs/dbraw/zinc/83/44/62/1047834462.db2.gz IWCZBWCXMXAXIZ-CZUORRHYSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598242 1047834464 /nfs/dbraw/zinc/83/44/64/1047834464.db2.gz IWCZBWCXMXAXIZ-CZUORRHYSA-N 2 2 349.931 4.378 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000814290348 1047939898 /nfs/dbraw/zinc/93/98/98/1047939898.db2.gz GSMKMXYGLVILEM-PGNDWZGLSA-N 2 2 341.499 4.137 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171084535 1048074787 /nfs/dbraw/zinc/07/47/87/1048074787.db2.gz ADAKUXPYWNRYRG-OAHLLOKOSA-N 2 2 338.282 4.069 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171084535 1048074803 /nfs/dbraw/zinc/07/48/03/1048074803.db2.gz ADAKUXPYWNRYRG-OAHLLOKOSA-N 2 2 338.282 4.069 20 0 EIADLP Clc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171092922 1048118658 /nfs/dbraw/zinc/11/86/58/1048118658.db2.gz BFLPXRSIMJHBAY-LJQANCHMSA-N 2 2 337.854 4.173 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000132136196 1048209548 /nfs/dbraw/zinc/20/95/48/1048209548.db2.gz RFJGDBBDGRLDJW-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000132266449 1048241229 /nfs/dbraw/zinc/24/12/29/1048241229.db2.gz HQUQEOIIAOHABS-MRXNPFEDSA-N 2 2 339.870 4.478 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132293563 1048249986 /nfs/dbraw/zinc/24/99/86/1048249986.db2.gz OIXRHDVWDLGOFP-OPAMFIHVSA-N 2 2 349.453 4.136 20 0 EIADLP CCC[NH+](CCC)CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939229 1048308113 /nfs/dbraw/zinc/30/81/13/1048308113.db2.gz ARLYUSRNOHJGHQ-UHFFFAOYSA-N 2 2 342.487 4.021 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143995776 1048355104 /nfs/dbraw/zinc/35/51/04/1048355104.db2.gz BIWKWZOASGYCDQ-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143995776 1048355115 /nfs/dbraw/zinc/35/51/15/1048355115.db2.gz BIWKWZOASGYCDQ-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)s1 ZINC000809574273 1048404904 /nfs/dbraw/zinc/40/49/04/1048404904.db2.gz JZKVAHLSTRMZQN-SFHVURJKSA-N 2 2 343.540 4.192 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)s1 ZINC000809574273 1048404909 /nfs/dbraw/zinc/40/49/09/1048404909.db2.gz JZKVAHLSTRMZQN-SFHVURJKSA-N 2 2 343.540 4.192 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC000809588296 1048426078 /nfs/dbraw/zinc/42/60/78/1048426078.db2.gz YHTDPQJXZVKYMB-HXUWFJFHSA-N 2 2 343.540 4.050 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)s1 ZINC000809588296 1048426088 /nfs/dbraw/zinc/42/60/88/1048426088.db2.gz YHTDPQJXZVKYMB-HXUWFJFHSA-N 2 2 343.540 4.050 20 0 EIADLP CC[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@@H]1c1ccccc1 ZINC000809591993 1048429251 /nfs/dbraw/zinc/42/92/51/1048429251.db2.gz KTUHHRIDAZPCDP-APWZRJJASA-N 2 2 343.540 4.220 20 0 EIADLP CC[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@@H]1c1ccccc1 ZINC000809591993 1048429260 /nfs/dbraw/zinc/42/92/60/1048429260.db2.gz KTUHHRIDAZPCDP-APWZRJJASA-N 2 2 343.540 4.220 20 0 EIADLP CCc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(CC)c1O ZINC001144150209 1048461079 /nfs/dbraw/zinc/46/10/79/1048461079.db2.gz DYZNVQLYPUNXNO-UHFFFAOYSA-N 2 2 349.478 4.335 20 0 EIADLP CCc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(CC)c1O ZINC001144150209 1048461096 /nfs/dbraw/zinc/46/10/96/1048461096.db2.gz DYZNVQLYPUNXNO-UHFFFAOYSA-N 2 2 349.478 4.335 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cnc1Cl ZINC000809765878 1048525578 /nfs/dbraw/zinc/52/55/78/1048525578.db2.gz PSGBAKCVOXOLSF-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cnc1Cl ZINC000809765878 1048525583 /nfs/dbraw/zinc/52/55/83/1048525583.db2.gz PSGBAKCVOXOLSF-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc(-n3cccc3)cc2)C2CCCC2)CC1 ZINC001144251897 1048541933 /nfs/dbraw/zinc/54/19/33/1048541933.db2.gz JNNDFVPJVNQYJV-UHFFFAOYSA-N 2 2 337.511 4.316 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc(-n3cccc3)cc2)C2CCCC2)CC1 ZINC001144251897 1048541947 /nfs/dbraw/zinc/54/19/47/1048541947.db2.gz JNNDFVPJVNQYJV-UHFFFAOYSA-N 2 2 337.511 4.316 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000815631420 1048553553 /nfs/dbraw/zinc/55/35/53/1048553553.db2.gz CUGMWOISLFWIEJ-QFUCXCTJSA-N 2 2 332.532 4.037 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000076003075 1048833983 /nfs/dbraw/zinc/83/39/83/1048833983.db2.gz DFENAYZJWVUGIN-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000076003075 1048833987 /nfs/dbraw/zinc/83/39/87/1048833987.db2.gz DFENAYZJWVUGIN-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc3scnc3c2)C2CCCC2)CC1 ZINC001144745009 1048842306 /nfs/dbraw/zinc/84/23/06/1048842306.db2.gz LJBYOMXIQZRNGQ-UHFFFAOYSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc3scnc3c2)C2CCCC2)CC1 ZINC001144745009 1048842309 /nfs/dbraw/zinc/84/23/09/1048842309.db2.gz LJBYOMXIQZRNGQ-UHFFFAOYSA-N 2 2 329.513 4.135 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812823941 1049587663 /nfs/dbraw/zinc/58/76/63/1049587663.db2.gz ORURJGICRXXPQD-UTKZUKDTSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@H]1CCC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000812825911 1049589910 /nfs/dbraw/zinc/58/99/10/1049589910.db2.gz QLUAZNKQIZYVKX-ROUUACIJSA-N 2 2 329.532 4.137 20 0 EIADLP Fc1cccc2c1CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001171400830 1049620716 /nfs/dbraw/zinc/62/07/16/1049620716.db2.gz GGLNRIWBWBTRQS-KNQAVFIVSA-N 2 2 338.470 4.110 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000037156176 1049663359 /nfs/dbraw/zinc/66/33/59/1049663359.db2.gz GGPDSCJVHKVEKC-OAHLLOKOSA-N 2 2 326.271 4.394 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC001171619482 1049767040 /nfs/dbraw/zinc/76/70/40/1049767040.db2.gz MFJYQMUEQVMZKV-FQEVSTJZSA-N 2 2 337.511 4.412 20 0 EIADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171964550 1049826522 /nfs/dbraw/zinc/82/65/22/1049826522.db2.gz GTLKQKJBUPOLHO-OAQYLSRUSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171964550 1049826523 /nfs/dbraw/zinc/82/65/23/1049826523.db2.gz GTLKQKJBUPOLHO-OAQYLSRUSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964550 1049826524 /nfs/dbraw/zinc/82/65/24/1049826524.db2.gz GTLKQKJBUPOLHO-OAQYLSRUSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964550 1049826526 /nfs/dbraw/zinc/82/65/26/1049826526.db2.gz GTLKQKJBUPOLHO-OAQYLSRUSA-N 3 2 345.575 4.141 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2COc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171974113 1049836077 /nfs/dbraw/zinc/83/60/77/1049836077.db2.gz AJXZDAAYTDASRF-UYAOXDASSA-N 2 2 336.479 4.153 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2COc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974113 1049836078 /nfs/dbraw/zinc/83/60/78/1049836078.db2.gz AJXZDAAYTDASRF-UYAOXDASSA-N 2 2 336.479 4.153 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4ncccc4C2)C3)cc1 ZINC001172074742 1049844508 /nfs/dbraw/zinc/84/45/08/1049844508.db2.gz LUODPHPJUDSUIE-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4ncccc4C2)C3)cc1 ZINC001172074742 1049844510 /nfs/dbraw/zinc/84/45/10/1049844510.db2.gz LUODPHPJUDSUIE-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCc4ncccc4C2)C3)cc1 ZINC001172074742 1049844513 /nfs/dbraw/zinc/84/45/13/1049844513.db2.gz LUODPHPJUDSUIE-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCc4ncccc4C2)C3)cc1 ZINC001172074742 1049844516 /nfs/dbraw/zinc/84/45/16/1049844516.db2.gz LUODPHPJUDSUIE-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172081209 1049846814 /nfs/dbraw/zinc/84/68/14/1049846814.db2.gz BAACIJHNNVFFEI-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172081209 1049846815 /nfs/dbraw/zinc/84/68/15/1049846815.db2.gz BAACIJHNNVFFEI-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172081209 1049846816 /nfs/dbraw/zinc/84/68/16/1049846816.db2.gz BAACIJHNNVFFEI-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172081209 1049846818 /nfs/dbraw/zinc/84/68/18/1049846818.db2.gz BAACIJHNNVFFEI-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP C[N@H+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069526 1049853766 /nfs/dbraw/zinc/85/37/66/1049853766.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069526 1049853770 /nfs/dbraw/zinc/85/37/70/1049853770.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069526 1049853773 /nfs/dbraw/zinc/85/37/73/1049853773.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069526 1049853774 /nfs/dbraw/zinc/85/37/74/1049853774.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795560 1049856098 /nfs/dbraw/zinc/85/60/98/1049856098.db2.gz WVNKLPFNLRMUKU-HRAATJIYSA-N 2 2 341.474 4.050 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795560 1049856101 /nfs/dbraw/zinc/85/61/01/1049856101.db2.gz WVNKLPFNLRMUKU-HRAATJIYSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795560 1049856104 /nfs/dbraw/zinc/85/61/04/1049856104.db2.gz WVNKLPFNLRMUKU-HRAATJIYSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795560 1049856105 /nfs/dbraw/zinc/85/61/05/1049856105.db2.gz WVNKLPFNLRMUKU-HRAATJIYSA-N 2 2 341.474 4.050 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172208993 1049864904 /nfs/dbraw/zinc/86/49/04/1049864904.db2.gz VRNLRYRKVZAHPG-IBGZPJMESA-N 2 2 330.541 4.042 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172208993 1049864906 /nfs/dbraw/zinc/86/49/06/1049864906.db2.gz VRNLRYRKVZAHPG-IBGZPJMESA-N 2 2 330.541 4.042 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172359716 1049895123 /nfs/dbraw/zinc/89/51/23/1049895123.db2.gz NHSAEIGPZTWBSO-SQGPQFPESA-N 2 2 330.516 4.074 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172359709 1049895495 /nfs/dbraw/zinc/89/54/95/1049895495.db2.gz NHSAEIGPZTWBSO-ABSDTBQOSA-N 2 2 330.516 4.074 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC001172359542 1049895506 /nfs/dbraw/zinc/89/55/06/1049895506.db2.gz KCLAXRZSLYCSBC-MBOZVWFJSA-N 2 2 330.516 4.074 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172570593 1049939523 /nfs/dbraw/zinc/93/95/23/1049939523.db2.gz JSICHHWYOINNAS-LBPRGKRZSA-N 2 2 349.812 4.377 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000089513178 1050120889 /nfs/dbraw/zinc/12/08/89/1050120889.db2.gz XWBPSGPCTWTPNJ-LBPRGKRZSA-N 2 2 344.421 4.341 20 0 EIADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC001177244688 1050172811 /nfs/dbraw/zinc/17/28/11/1050172811.db2.gz FXAGDUNEBDVYEQ-UHFFFAOYSA-N 2 2 328.887 4.186 20 0 EIADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC001177244688 1050172814 /nfs/dbraw/zinc/17/28/14/1050172814.db2.gz FXAGDUNEBDVYEQ-UHFFFAOYSA-N 2 2 328.887 4.186 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860085 1050197039 /nfs/dbraw/zinc/19/70/39/1050197039.db2.gz DMWCXSNYUPYZBD-CABCVRRESA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860085 1050197046 /nfs/dbraw/zinc/19/70/46/1050197046.db2.gz DMWCXSNYUPYZBD-CABCVRRESA-N 2 2 348.849 4.267 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172870769 1050209975 /nfs/dbraw/zinc/20/99/75/1050209975.db2.gz DPYHPKLCUUAXAZ-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3N3CCCC3)cc2)CC1 ZINC001212689622 1050229605 /nfs/dbraw/zinc/22/96/05/1050229605.db2.gz FOXHUPAZJLAJLF-UHFFFAOYSA-N 2 2 336.483 4.235 20 0 EIADLP Cc1c(Cl)ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Cl ZINC001177506830 1050231460 /nfs/dbraw/zinc/23/14/60/1050231460.db2.gz TUTVQXSEUQTTDK-UHFFFAOYSA-N 2 2 327.299 4.408 20 0 EIADLP CC(C)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000091283302 1050246805 /nfs/dbraw/zinc/24/68/05/1050246805.db2.gz BBTORKUQPRACTQ-QFIPXVFZSA-N 2 2 333.479 4.461 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C(C)C)cc1 ZINC000091306967 1050251738 /nfs/dbraw/zinc/25/17/38/1050251738.db2.gz NXNIMGHVMREIGS-NRFANRHFSA-N 2 2 335.451 4.368 20 0 EIADLP C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001177703141 1050283767 /nfs/dbraw/zinc/28/37/67/1050283767.db2.gz YHPNZXIDXBNYCT-PKOBYXMFSA-N 2 2 349.950 4.020 20 0 EIADLP CCCOC1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001173092693 1050285019 /nfs/dbraw/zinc/28/50/19/1050285019.db2.gz AVHDMQBKKPAYOG-ORFBVSJDSA-N 2 2 344.543 4.021 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC001177913056 1050326273 /nfs/dbraw/zinc/32/62/73/1050326273.db2.gz UQQBJABXMLABEQ-FZKQIMNGSA-N 2 2 336.451 4.199 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC001177913056 1050326282 /nfs/dbraw/zinc/32/62/82/1050326282.db2.gz UQQBJABXMLABEQ-FZKQIMNGSA-N 2 2 336.451 4.199 20 0 EIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196523 1050339551 /nfs/dbraw/zinc/33/95/51/1050339551.db2.gz PZKUFXLFIQVBAY-JSOIOWGOSA-N 2 2 330.516 4.087 20 0 EIADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001178276196 1050426701 /nfs/dbraw/zinc/42/67/01/1050426701.db2.gz FMIIBHKLMXQZDH-JOCHJYFZSA-N 2 2 349.478 4.430 20 0 EIADLP Cc1[nH+]cn([C@@H](C)CCc2ccc(Cl)c(Cl)c2)c1CC[NH3+] ZINC001173541768 1050475791 /nfs/dbraw/zinc/47/57/91/1050475791.db2.gz CXHOMUARJRSINA-NSHDSACASA-N 2 2 326.271 4.193 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001173545801 1050477117 /nfs/dbraw/zinc/47/71/17/1050477117.db2.gz DRBIVKBCKJSVNN-ZDUSSCGKSA-N 2 2 329.315 4.341 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001173545801 1050477124 /nfs/dbraw/zinc/47/71/24/1050477124.db2.gz DRBIVKBCKJSVNN-ZDUSSCGKSA-N 2 2 329.315 4.341 20 0 EIADLP Fc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001203357876 1050586706 /nfs/dbraw/zinc/58/67/06/1050586706.db2.gz YXWWWYXUFRGBNF-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001203357876 1050586709 /nfs/dbraw/zinc/58/67/09/1050586709.db2.gz YXWWWYXUFRGBNF-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001203357876 1050586725 /nfs/dbraw/zinc/58/67/25/1050586725.db2.gz YXWWWYXUFRGBNF-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203357876 1050586741 /nfs/dbraw/zinc/58/67/41/1050586741.db2.gz YXWWWYXUFRGBNF-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)cc1 ZINC001178949643 1050593725 /nfs/dbraw/zinc/59/37/25/1050593725.db2.gz ICELTQKPKCMYTJ-AVRDEDQJSA-N 2 2 341.543 4.137 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093643945 1050646636 /nfs/dbraw/zinc/64/66/36/1050646636.db2.gz JGSTYSJNXDTCGS-GDBMZVCRSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093643945 1050646648 /nfs/dbraw/zinc/64/66/48/1050646648.db2.gz JGSTYSJNXDTCGS-GDBMZVCRSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093643945 1050646657 /nfs/dbraw/zinc/64/66/57/1050646657.db2.gz JGSTYSJNXDTCGS-GDBMZVCRSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093643945 1050646667 /nfs/dbraw/zinc/64/66/67/1050646667.db2.gz JGSTYSJNXDTCGS-GDBMZVCRSA-N 2 2 330.447 4.309 20 0 EIADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cs1 ZINC000093683614 1050658985 /nfs/dbraw/zinc/65/89/85/1050658985.db2.gz DOCHSOXVZLSRKX-HNNXBMFYSA-N 2 2 347.553 4.179 20 0 EIADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cs1 ZINC000093683614 1050658987 /nfs/dbraw/zinc/65/89/87/1050658987.db2.gz DOCHSOXVZLSRKX-HNNXBMFYSA-N 2 2 347.553 4.179 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093693962 1050663375 /nfs/dbraw/zinc/66/33/75/1050663375.db2.gz QJAUNVIJXRNNDC-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093693962 1050663382 /nfs/dbraw/zinc/66/33/82/1050663382.db2.gz QJAUNVIJXRNNDC-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926359 1050818909 /nfs/dbraw/zinc/81/89/09/1050818909.db2.gz XPIBKRJOPXMBMJ-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926359 1050818910 /nfs/dbraw/zinc/81/89/10/1050818910.db2.gz XPIBKRJOPXMBMJ-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926359 1050818912 /nfs/dbraw/zinc/81/89/12/1050818912.db2.gz XPIBKRJOPXMBMJ-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179926359 1050818919 /nfs/dbraw/zinc/81/89/19/1050818919.db2.gz XPIBKRJOPXMBMJ-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000152745610 1050839634 /nfs/dbraw/zinc/83/96/34/1050839634.db2.gz ZXPMVTYBZGAUNX-GFCCVEGCSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775369046 1051132622 /nfs/dbraw/zinc/13/26/22/1051132622.db2.gz IFJGQPUFEVIZIA-MLGOLLRUSA-N 2 2 337.439 4.254 20 0 EIADLP Fc1cccc(/C=C\C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001181506262 1051242246 /nfs/dbraw/zinc/24/22/46/1051242246.db2.gz ODTLZOHXZJGILY-UTCJRWHESA-N 2 2 327.447 4.228 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520630 1051472586 /nfs/dbraw/zinc/47/25/86/1051472586.db2.gz IWQNFUSUYCWVCY-JTHBVZDNSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520630 1051472597 /nfs/dbraw/zinc/47/25/97/1051472597.db2.gz IWQNFUSUYCWVCY-JTHBVZDNSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001191520630 1051472601 /nfs/dbraw/zinc/47/26/01/1051472601.db2.gz IWQNFUSUYCWVCY-JTHBVZDNSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001191520630 1051472608 /nfs/dbraw/zinc/47/26/08/1051472608.db2.gz IWQNFUSUYCWVCY-JTHBVZDNSA-N 2 2 349.522 4.185 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)CC1 ZINC001175351269 1051541612 /nfs/dbraw/zinc/54/16/12/1051541612.db2.gz OZQZVLIABIMKLG-UHFFFAOYSA-N 2 2 336.483 4.235 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272358641 1051568789 /nfs/dbraw/zinc/56/87/89/1051568789.db2.gz RUECWBYGTPSZIQ-RVKKMQEKSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272358641 1051568803 /nfs/dbraw/zinc/56/88/03/1051568803.db2.gz RUECWBYGTPSZIQ-RVKKMQEKSA-N 2 2 329.513 4.013 20 0 EIADLP c1cn(-c2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001175504932 1051635865 /nfs/dbraw/zinc/63/58/65/1051635865.db2.gz KAXSSOUYELKOMV-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001175504932 1051635872 /nfs/dbraw/zinc/63/58/72/1051635872.db2.gz KAXSSOUYELKOMV-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845450 1051717080 /nfs/dbraw/zinc/71/70/80/1051717080.db2.gz TZUOMGSEHBWAPT-XJKSGUPXSA-N 2 2 328.422 4.271 20 0 EIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845450 1051717092 /nfs/dbraw/zinc/71/70/92/1051717092.db2.gz TZUOMGSEHBWAPT-XJKSGUPXSA-N 2 2 328.422 4.271 20 0 EIADLP Fc1cccc(F)c1CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668964 1051724287 /nfs/dbraw/zinc/72/42/87/1051724287.db2.gz JHBSRZVRSZMANW-FQEVSTJZSA-N 2 2 341.405 4.125 20 0 EIADLP Nc1cc(C(F)(F)F)c(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001175713137 1051735515 /nfs/dbraw/zinc/73/55/15/1051735515.db2.gz RNPSJIDWCBNQAF-UHFFFAOYSA-N 2 2 336.361 4.022 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000159073311 1051810967 /nfs/dbraw/zinc/81/09/67/1051810967.db2.gz ZDGWWJMAVRVUDN-QGZVFWFLSA-N 2 2 344.499 4.201 20 0 EIADLP CO[C@@H](C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291595 1051819898 /nfs/dbraw/zinc/81/98/98/1051819898.db2.gz KOOQVKLMQJNYKR-VXKWHMMOSA-N 2 2 344.543 4.226 20 0 EIADLP CO[C@@H](C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291595 1051819904 /nfs/dbraw/zinc/81/99/04/1051819904.db2.gz KOOQVKLMQJNYKR-VXKWHMMOSA-N 2 2 344.543 4.226 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621291502 1051822721 /nfs/dbraw/zinc/82/27/21/1051822721.db2.gz UMTLAJAJBFARIP-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621291502 1051822730 /nfs/dbraw/zinc/82/27/30/1051822730.db2.gz UMTLAJAJBFARIP-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cc(F)ccc2N(C)C)CC1 ZINC001183535050 1051863838 /nfs/dbraw/zinc/86/38/38/1051863838.db2.gz SUDKLAQOBTYRSE-UHFFFAOYSA-N 2 2 347.522 4.122 20 0 EIADLP COc1cc[nH+]cc1Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001176123974 1051924572 /nfs/dbraw/zinc/92/45/72/1051924572.db2.gz GLPUGTFBJBNJBH-LJQANCHMSA-N 2 2 337.467 4.177 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000079000561 1051936837 /nfs/dbraw/zinc/93/68/37/1051936837.db2.gz ZHHJRXDDZPXGDY-HNNXBMFYSA-N 2 2 325.378 4.106 20 0 EIADLP c1cn(Cc2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2)c[nH+]1 ZINC001176196047 1051939707 /nfs/dbraw/zinc/93/97/07/1051939707.db2.gz UNQDGPZFDUOARJ-UHFFFAOYSA-N 2 2 332.451 4.271 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106074 1051951384 /nfs/dbraw/zinc/95/13/84/1051951384.db2.gz KCPSAWVDUUYKHO-HGSOSGBHSA-N 2 2 334.507 4.433 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106074 1051951389 /nfs/dbraw/zinc/95/13/89/1051951389.db2.gz KCPSAWVDUUYKHO-HGSOSGBHSA-N 2 2 334.507 4.433 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001194268937 1052121185 /nfs/dbraw/zinc/12/11/85/1052121185.db2.gz LFFRVJRGUGWBSP-UHFFFAOYSA-N 2 2 326.887 4.423 20 0 EIADLP CC[NH+](CC)CCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001194268937 1052121194 /nfs/dbraw/zinc/12/11/94/1052121194.db2.gz LFFRVJRGUGWBSP-UHFFFAOYSA-N 2 2 326.887 4.423 20 0 EIADLP CCc1cc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc(CC)[nH+]1 ZINC001185701888 1052283944 /nfs/dbraw/zinc/28/39/44/1052283944.db2.gz OHGQWZKZRCMPJH-QGZVFWFLSA-N 2 2 344.547 4.082 20 0 EIADLP CCc1cc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc(CC)[nH+]1 ZINC001185701888 1052283953 /nfs/dbraw/zinc/28/39/53/1052283953.db2.gz OHGQWZKZRCMPJH-QGZVFWFLSA-N 2 2 344.547 4.082 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650969 1052572202 /nfs/dbraw/zinc/57/22/02/1052572202.db2.gz PWEBRPGWSBLBEC-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349408201 1052716926 /nfs/dbraw/zinc/71/69/26/1052716926.db2.gz JILLEMYSLXMJEC-NPPFBWRTSA-N 2 2 348.494 4.214 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000178951288 1052717002 /nfs/dbraw/zinc/71/70/02/1052717002.db2.gz VRHKKRXJLUEEDQ-JOCHJYFZSA-N 2 2 331.463 4.407 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000623849464 1052822180 /nfs/dbraw/zinc/82/21/80/1052822180.db2.gz GHMXYNBGKUDTRZ-QGZVFWFLSA-N 2 2 328.847 4.075 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623956750 1052841697 /nfs/dbraw/zinc/84/16/97/1052841697.db2.gz OYYXIACJYZIZLE-JQHSSLGASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623956750 1052841701 /nfs/dbraw/zinc/84/17/01/1052841701.db2.gz OYYXIACJYZIZLE-JQHSSLGASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120533 1052867496 /nfs/dbraw/zinc/86/74/96/1052867496.db2.gz BIZZSDGIBUNVTL-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120533 1052867497 /nfs/dbraw/zinc/86/74/97/1052867497.db2.gz BIZZSDGIBUNVTL-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+]CCCCNc3cccc[nH+]3)oc21 ZINC000181672979 1052892406 /nfs/dbraw/zinc/89/24/06/1052892406.db2.gz JKKWMIPKYVVYFU-HNNXBMFYSA-N 2 2 339.439 4.379 20 0 EIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000182322463 1052926156 /nfs/dbraw/zinc/92/61/56/1052926156.db2.gz FCBALJLMOPXARR-OAQYLSRUSA-N 2 2 349.453 4.280 20 0 EIADLP COc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)[C@@H](c1ccccc1)C2 ZINC000182854370 1052952515 /nfs/dbraw/zinc/95/25/15/1052952515.db2.gz NTLJXLWIQAJZNG-JOCHJYFZSA-N 2 2 347.462 4.081 20 0 EIADLP COc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)[C@@H](c1ccccc1)C2 ZINC000182854370 1052952516 /nfs/dbraw/zinc/95/25/16/1052952516.db2.gz NTLJXLWIQAJZNG-JOCHJYFZSA-N 2 2 347.462 4.081 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC001194683136 1053072172 /nfs/dbraw/zinc/07/21/72/1053072172.db2.gz LFGRYFULHWMIIN-NRFANRHFSA-N 2 2 347.462 4.224 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001194683136 1053072188 /nfs/dbraw/zinc/07/21/88/1053072188.db2.gz LFGRYFULHWMIIN-NRFANRHFSA-N 2 2 347.462 4.224 20 0 EIADLP c1cn(-c2cccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)c2)c[nH+]1 ZINC000339067964 1053242776 /nfs/dbraw/zinc/24/27/76/1053242776.db2.gz IPKRJIQNBAHBPN-KNQAVFIVSA-N 2 2 347.462 4.130 20 0 EIADLP C[C@H]([NH2+]CCCOc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764929455 1053380527 /nfs/dbraw/zinc/38/05/27/1053380527.db2.gz PSPRAVOOFQWWPR-INIZCTEOSA-N 2 2 339.414 4.131 20 0 EIADLP CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000794831229 1053443947 /nfs/dbraw/zinc/44/39/47/1053443947.db2.gz PAYMGHGLNNYFBM-HSQYWUDLSA-N 2 2 349.478 4.425 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765247697 1053476718 /nfs/dbraw/zinc/47/67/18/1053476718.db2.gz BZSZCUFPPFKAHM-SUMWQHHRSA-N 2 2 335.879 4.311 20 0 EIADLP Cc1c(Cl)cccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000865481563 1053522504 /nfs/dbraw/zinc/52/25/04/1053522504.db2.gz HVYMWSYUWJWRDX-IBGZPJMESA-N 2 2 339.870 4.456 20 0 EIADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000866225200 1053656615 /nfs/dbraw/zinc/65/66/15/1053656615.db2.gz QQWZWKAGQBOMSU-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000776766328 1053859498 /nfs/dbraw/zinc/85/94/98/1053859498.db2.gz DPNVYEGADASAEX-KRWDZBQOSA-N 2 2 341.499 4.175 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(Cl)c1 ZINC000173335070 1054057265 /nfs/dbraw/zinc/05/72/65/1054057265.db2.gz JDGRRPLTRREXFX-SFHVURJKSA-N 2 2 340.858 4.470 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001198791269 1054258967 /nfs/dbraw/zinc/25/89/67/1054258967.db2.gz URJOIJPUMZVTHT-CABCVRRESA-N 2 2 325.447 4.253 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001198791269 1054258980 /nfs/dbraw/zinc/25/89/80/1054258980.db2.gz URJOIJPUMZVTHT-CABCVRRESA-N 2 2 325.447 4.253 20 0 EIADLP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000872051051 1054362212 /nfs/dbraw/zinc/36/22/12/1054362212.db2.gz FEQXIUBBIRKKLB-HOCLYGCPSA-N 2 2 343.437 4.318 20 0 EIADLP CC[C@@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000872051052 1054362577 /nfs/dbraw/zinc/36/25/77/1054362577.db2.gz FEQXIUBBIRKKLB-ZBFHGGJFSA-N 2 2 343.437 4.318 20 0 EIADLP CC1(C)CCC[C@@H](C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001199219308 1054366170 /nfs/dbraw/zinc/36/61/70/1054366170.db2.gz LPCTVWIEKDWZDS-HXUWFJFHSA-N 2 2 343.559 4.005 20 0 EIADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccc(C)c3nc2Cl)C1 ZINC001199844373 1054477202 /nfs/dbraw/zinc/47/72/02/1054477202.db2.gz XRDBPWFCPILZGY-OAHLLOKOSA-N 2 2 331.891 4.018 20 0 EIADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccc(C)c3nc2Cl)C1 ZINC001199844373 1054477206 /nfs/dbraw/zinc/47/72/06/1054477206.db2.gz XRDBPWFCPILZGY-OAHLLOKOSA-N 2 2 331.891 4.018 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001200879042 1054565876 /nfs/dbraw/zinc/56/58/76/1054565876.db2.gz DKRFVAHQJRSPPM-NQIIRXRSSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001200879042 1054565890 /nfs/dbraw/zinc/56/58/90/1054565890.db2.gz DKRFVAHQJRSPPM-NQIIRXRSSA-N 2 2 349.522 4.103 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000859214925 1054644473 /nfs/dbraw/zinc/64/44/73/1054644473.db2.gz RDHONGDSBNRSPI-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000859214925 1054644490 /nfs/dbraw/zinc/64/44/90/1054644490.db2.gz RDHONGDSBNRSPI-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776216566 1054929337 /nfs/dbraw/zinc/92/93/37/1054929337.db2.gz AOQASDFZUNHLLV-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201972937 1054973621 /nfs/dbraw/zinc/97/36/21/1054973621.db2.gz KPQKBZUXEWOZFE-LJQANCHMSA-N 2 2 344.547 4.067 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201972937 1054973639 /nfs/dbraw/zinc/97/36/39/1054973639.db2.gz KPQKBZUXEWOZFE-LJQANCHMSA-N 2 2 344.547 4.067 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000876949138 1054988493 /nfs/dbraw/zinc/98/84/93/1054988493.db2.gz ZHVVKFHZDGWAMB-PKOBYXMFSA-N 2 2 341.886 4.193 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000876949138 1054988503 /nfs/dbraw/zinc/98/85/03/1054988503.db2.gz ZHVVKFHZDGWAMB-PKOBYXMFSA-N 2 2 341.886 4.193 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CC2(Cl)Cl)c(C)c1 ZINC000877113809 1055022102 /nfs/dbraw/zinc/02/21/02/1055022102.db2.gz HCERZJNAWRYKNE-GOEBONIOSA-N 2 2 338.282 4.025 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CC2(Cl)Cl)c(C)c1 ZINC000877113810 1055022359 /nfs/dbraw/zinc/02/23/59/1055022359.db2.gz HCERZJNAWRYKNE-HOCLYGCPSA-N 2 2 338.282 4.025 20 0 EIADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC(F)(F)C1 ZINC000862291240 1055047971 /nfs/dbraw/zinc/04/79/71/1055047971.db2.gz HSXDKHCOJKCWDL-AWEZNQCLSA-N 2 2 337.458 4.063 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)s1 ZINC000347637435 1055748336 /nfs/dbraw/zinc/74/83/36/1055748336.db2.gz LMVFSPSBBNRDGT-GOSISDBHSA-N 2 2 329.513 4.322 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)s1 ZINC000347637435 1055748360 /nfs/dbraw/zinc/74/83/60/1055748360.db2.gz LMVFSPSBBNRDGT-GOSISDBHSA-N 2 2 329.513 4.322 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000921775934 1056528811 /nfs/dbraw/zinc/52/88/11/1056528811.db2.gz ISSUNJNWVGYGFG-YOEHRIQHSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000921775934 1056528826 /nfs/dbraw/zinc/52/88/26/1056528826.db2.gz ISSUNJNWVGYGFG-YOEHRIQHSA-N 2 2 349.931 4.278 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c2ccccc21 ZINC000656201290 1056709648 /nfs/dbraw/zinc/70/96/48/1056709648.db2.gz ODMXMFSNMUFERF-IRXDYDNUSA-N 2 2 348.368 4.309 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271357 1058309913 /nfs/dbraw/zinc/30/99/13/1058309913.db2.gz DRGNRWHNQMWNDI-KGLIPLIRSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271357 1058309932 /nfs/dbraw/zinc/30/99/32/1058309932.db2.gz DRGNRWHNQMWNDI-KGLIPLIRSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325721 1059769728 /nfs/dbraw/zinc/76/97/28/1059769728.db2.gz MVMXPLRPJXFRRD-SCLBCKFNSA-N 2 2 339.826 4.310 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000379631062 1060135516 /nfs/dbraw/zinc/13/55/16/1060135516.db2.gz QWXXOBMGBFWVMF-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000379631062 1060135549 /nfs/dbraw/zinc/13/55/49/1060135549.db2.gz QWXXOBMGBFWVMF-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379653154 1060139262 /nfs/dbraw/zinc/13/92/62/1060139262.db2.gz YYKBVMLTVVTKRZ-DUXKGJEZSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379653154 1060139273 /nfs/dbraw/zinc/13/92/73/1060139273.db2.gz YYKBVMLTVVTKRZ-DUXKGJEZSA-N 2 2 335.495 4.102 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001169097573 1060633972 /nfs/dbraw/zinc/63/39/72/1060633972.db2.gz BWMANPWLILUNGC-ZSBIGDGJSA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001169097573 1060633996 /nfs/dbraw/zinc/63/39/96/1060633996.db2.gz BWMANPWLILUNGC-ZSBIGDGJSA-N 2 2 332.797 4.074 20 0 EIADLP Cc1[nH]c(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC001169126231 1060650930 /nfs/dbraw/zinc/65/09/30/1060650930.db2.gz YHNYVUWHLQAWST-MNOVXSKESA-N 2 2 325.378 4.327 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144621 1060663395 /nfs/dbraw/zinc/66/33/95/1060663395.db2.gz KTWJXEZBVGZEKT-MHORFTMASA-N 2 2 336.932 4.055 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144621 1060663401 /nfs/dbraw/zinc/66/34/01/1060663401.db2.gz KTWJXEZBVGZEKT-MHORFTMASA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144621 1060663404 /nfs/dbraw/zinc/66/34/04/1060663404.db2.gz KTWJXEZBVGZEKT-MHORFTMASA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144621 1060663409 /nfs/dbraw/zinc/66/34/09/1060663409.db2.gz KTWJXEZBVGZEKT-MHORFTMASA-N 2 2 336.932 4.055 20 0 EIADLP Cc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC001169196420 1060682493 /nfs/dbraw/zinc/68/24/93/1060682493.db2.gz FRJCGTPVRUJCMD-NRFANRHFSA-N 2 2 331.463 4.479 20 0 EIADLP Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)cc1 ZINC001169196420 1060682496 /nfs/dbraw/zinc/68/24/96/1060682496.db2.gz FRJCGTPVRUJCMD-NRFANRHFSA-N 2 2 331.463 4.479 20 0 EIADLP Cc1ccsc1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001204023954 1060768317 /nfs/dbraw/zinc/76/83/17/1060768317.db2.gz RKQBZBSIDUXEOT-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP Cc1ccsc1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001204023954 1060768323 /nfs/dbraw/zinc/76/83/23/1060768323.db2.gz RKQBZBSIDUXEOT-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000022936746 212337293 /nfs/dbraw/zinc/33/72/93/212337293.db2.gz IFTSDTPCLNXHJY-NRFANRHFSA-N 2 2 338.495 4.148 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000022936746 212337294 /nfs/dbraw/zinc/33/72/94/212337294.db2.gz IFTSDTPCLNXHJY-NRFANRHFSA-N 2 2 338.495 4.148 20 0 EIADLP Cc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]c1C ZINC001164995761 722197995 /nfs/dbraw/zinc/19/79/95/722197995.db2.gz XTXPVOANJQSICG-NRFANRHFSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]c1C ZINC001164995761 722197997 /nfs/dbraw/zinc/19/79/97/722197997.db2.gz XTXPVOANJQSICG-NRFANRHFSA-N 2 2 339.458 4.082 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206525 1032075215 /nfs/dbraw/zinc/07/52/15/1032075215.db2.gz VNCKVWWLYCVZJD-QVKFZJNVSA-N 2 2 335.426 4.425 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000532210700 1032091505 /nfs/dbraw/zinc/09/15/05/1032091505.db2.gz IEUHHDSTKVHYKC-UWJYYQICSA-N 2 2 338.495 4.200 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1OC(F)F ZINC000532212273 1032095726 /nfs/dbraw/zinc/09/57/26/1032095726.db2.gz ZDVYYTFDCPOWTM-GFCCVEGCSA-N 2 2 343.805 4.269 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831050 1032336692 /nfs/dbraw/zinc/33/66/92/1032336692.db2.gz GHABZJHSJTUFDJ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831050 1032336707 /nfs/dbraw/zinc/33/67/07/1032336707.db2.gz GHABZJHSJTUFDJ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831050 1032336722 /nfs/dbraw/zinc/33/67/22/1032336722.db2.gz GHABZJHSJTUFDJ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000172831050 1032336736 /nfs/dbraw/zinc/33/67/36/1032336736.db2.gz GHABZJHSJTUFDJ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000245770390 1032471643 /nfs/dbraw/zinc/47/16/43/1032471643.db2.gz XERJKHIRFPHUNV-OWZKRDHZSA-N 2 2 341.886 4.020 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000245770390 1032471650 /nfs/dbraw/zinc/47/16/50/1032471650.db2.gz XERJKHIRFPHUNV-OWZKRDHZSA-N 2 2 341.886 4.020 20 0 EIADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199523 1032523574 /nfs/dbraw/zinc/52/35/74/1032523574.db2.gz KZFNBGBFNARIHN-QRWLVFNGSA-N 2 2 333.435 4.219 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895909 1019841923 /nfs/dbraw/zinc/84/19/23/1019841923.db2.gz KEXFROIPLNLWLA-QRQLOZEOSA-N 2 2 343.540 4.403 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895909 1019841926 /nfs/dbraw/zinc/84/19/26/1019841926.db2.gz KEXFROIPLNLWLA-QRQLOZEOSA-N 2 2 343.540 4.403 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981477 1019886884 /nfs/dbraw/zinc/88/68/84/1019886884.db2.gz ZJGXSLGCNWCURR-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981477 1019886889 /nfs/dbraw/zinc/88/68/89/1019886889.db2.gz ZJGXSLGCNWCURR-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180013292 1020025093 /nfs/dbraw/zinc/02/50/93/1020025093.db2.gz GSXSHWRTCLBTJD-LJQANCHMSA-N 2 2 332.850 4.252 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC1 ZINC000109787788 1020417092 /nfs/dbraw/zinc/41/70/92/1020417092.db2.gz ICXJVAPVGPGCPR-UHFFFAOYSA-N 2 2 331.891 4.194 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC1 ZINC000109787788 1020417106 /nfs/dbraw/zinc/41/71/06/1020417106.db2.gz ICXJVAPVGPGCPR-UHFFFAOYSA-N 2 2 331.891 4.194 20 0 EIADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121153374 1020734790 /nfs/dbraw/zinc/73/47/90/1020734790.db2.gz KFIRWYDUOZGWQM-GOSISDBHSA-N 2 2 343.352 4.067 20 0 EIADLP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)s2)cc1C ZINC000655718740 1020914912 /nfs/dbraw/zinc/91/49/12/1020914912.db2.gz LXJXPNYJSSCBDZ-AWEZNQCLSA-N 2 2 340.496 4.049 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000340469565 1021074110 /nfs/dbraw/zinc/07/41/10/1021074110.db2.gz KUUGVSOTNDOMBY-DOTOQJQBSA-N 2 2 327.472 4.066 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000340469565 1021074117 /nfs/dbraw/zinc/07/41/17/1021074117.db2.gz KUUGVSOTNDOMBY-DOTOQJQBSA-N 2 2 327.472 4.066 20 0 EIADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CCCC1 ZINC000512512678 1032978495 /nfs/dbraw/zinc/97/84/95/1032978495.db2.gz YLFKDHXUFNRKNZ-UHFFFAOYSA-N 2 2 345.512 4.037 20 0 EIADLP C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000376125721 1021542839 /nfs/dbraw/zinc/54/28/39/1021542839.db2.gz DGCXNJFQSZEXRY-KRWDZBQOSA-N 2 2 332.451 4.040 20 0 EIADLP c1c[nH+]c(N2CCCCC2)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210706183 1021564984 /nfs/dbraw/zinc/56/49/84/1021564984.db2.gz USCKZZRLFFXLHD-GOSISDBHSA-N 2 2 326.488 4.016 20 0 EIADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647499079 1021636277 /nfs/dbraw/zinc/63/62/77/1021636277.db2.gz YXOJAEDGEZCDTE-MLGOLLRUSA-N 2 2 335.904 4.023 20 0 EIADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647499079 1021636288 /nfs/dbraw/zinc/63/62/88/1021636288.db2.gz YXOJAEDGEZCDTE-MLGOLLRUSA-N 2 2 335.904 4.023 20 0 EIADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683819210 1021694956 /nfs/dbraw/zinc/69/49/56/1021694956.db2.gz OIMDCWYVUSOHDE-WEYGHZABSA-N 2 2 349.478 4.070 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069931 1021786553 /nfs/dbraw/zinc/78/65/53/1021786553.db2.gz KSXDXTWZGNGPJZ-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069931 1021786570 /nfs/dbraw/zinc/78/65/70/1021786570.db2.gz KSXDXTWZGNGPJZ-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000414131995 1021901391 /nfs/dbraw/zinc/90/13/91/1021901391.db2.gz LRWRQGSCOZPAGS-KBAYOESNSA-N 2 2 329.875 4.167 20 0 EIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1(C)C ZINC000414136065 1021910587 /nfs/dbraw/zinc/91/05/87/1021910587.db2.gz HPOXVHHLTMMVDZ-QDIHITRGSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)CCCn3cc[nH+]c3)s2)cc1C ZINC000656262369 1022322436 /nfs/dbraw/zinc/32/24/36/1022322436.db2.gz SLFIAHMXFJGLAP-UHFFFAOYSA-N 2 2 340.496 4.146 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021226 1022358820 /nfs/dbraw/zinc/35/88/20/1022358820.db2.gz SRGZDTNRDXDHTN-ROUUACIJSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021226 1022358840 /nfs/dbraw/zinc/35/88/40/1022358840.db2.gz SRGZDTNRDXDHTN-ROUUACIJSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021226 1022358856 /nfs/dbraw/zinc/35/88/56/1022358856.db2.gz SRGZDTNRDXDHTN-ROUUACIJSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021226 1022358876 /nfs/dbraw/zinc/35/88/76/1022358876.db2.gz SRGZDTNRDXDHTN-ROUUACIJSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414294253 1022425569 /nfs/dbraw/zinc/42/55/69/1022425569.db2.gz DPSCIWKYCDJDSQ-LMCOJAPRSA-N 2 2 329.532 4.096 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414294253 1022425585 /nfs/dbraw/zinc/42/55/85/1022425585.db2.gz DPSCIWKYCDJDSQ-LMCOJAPRSA-N 2 2 329.532 4.096 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCNc3ccccc32)[nH+]1 ZINC000186405352 1022602818 /nfs/dbraw/zinc/60/28/18/1022602818.db2.gz IGLPMSAKCGQPMR-NRFANRHFSA-N 2 2 346.478 4.011 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000162140940 1022626156 /nfs/dbraw/zinc/62/61/56/1022626156.db2.gz MAIDLBYBSWXKLV-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000580981835 1022782311 /nfs/dbraw/zinc/78/23/11/1022782311.db2.gz NMKSAYPSLUNQDM-LPHOPBHVSA-N 2 2 329.875 4.442 20 0 EIADLP COc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000363810144 1022800994 /nfs/dbraw/zinc/80/09/94/1022800994.db2.gz BRLHBJHUJRKHPN-QGZVFWFLSA-N 2 2 339.483 4.027 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000548153203 1022836989 /nfs/dbraw/zinc/83/69/89/1022836989.db2.gz YDJWZTHSSNTUCO-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000548153203 1022836992 /nfs/dbraw/zinc/83/69/92/1022836992.db2.gz YDJWZTHSSNTUCO-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)s1 ZINC000376561715 1023032514 /nfs/dbraw/zinc/03/25/14/1023032514.db2.gz NRFDVCPCRDOXSC-HIFPTAJRSA-N 2 2 343.334 4.178 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000656503601 1023073487 /nfs/dbraw/zinc/07/34/87/1023073487.db2.gz OACZXRTYSBJQKN-LJQANCHMSA-N 2 2 339.870 4.190 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1 ZINC000656503602 1023073973 /nfs/dbraw/zinc/07/39/73/1023073973.db2.gz OZAPBAXWLHWTEX-IBGZPJMESA-N 2 2 339.870 4.190 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000376686719 1023255098 /nfs/dbraw/zinc/25/50/98/1023255098.db2.gz FICDXCHAHBWCTB-FNHZYXHNSA-N 2 2 329.875 4.079 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000376686719 1023255103 /nfs/dbraw/zinc/25/51/03/1023255103.db2.gz FICDXCHAHBWCTB-FNHZYXHNSA-N 2 2 329.875 4.079 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000341129829 1023292537 /nfs/dbraw/zinc/29/25/37/1023292537.db2.gz QZDNMMJGUMNNDG-QGZVFWFLSA-N 2 2 348.288 4.045 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccc(Br)cc21 ZINC000341129829 1023292545 /nfs/dbraw/zinc/29/25/45/1023292545.db2.gz QZDNMMJGUMNNDG-QGZVFWFLSA-N 2 2 348.288 4.045 20 0 EIADLP CC(C)CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000549145567 1023376673 /nfs/dbraw/zinc/37/66/73/1023376673.db2.gz BMJQUOTZORKTAN-HXUWFJFHSA-N 2 2 325.500 4.278 20 0 EIADLP COc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)c1 ZINC000415086216 1023435870 /nfs/dbraw/zinc/43/58/70/1023435870.db2.gz RRQRWYXBDPAIJM-MGPUTAFESA-N 2 2 344.886 4.027 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000684383147 1023596510 /nfs/dbraw/zinc/59/65/10/1023596510.db2.gz SWOFUGBPOURXEL-SFHVURJKSA-N 2 2 341.405 4.431 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1ccccc1Br)Cc1ccccc1 ZINC000019913286 1023632290 /nfs/dbraw/zinc/63/22/90/1023632290.db2.gz SMGMUDAJIJKLPJ-UHFFFAOYSA-N 2 2 347.300 4.061 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1ccccc1Br)Cc1ccccc1 ZINC000019913286 1023632293 /nfs/dbraw/zinc/63/22/93/1023632293.db2.gz SMGMUDAJIJKLPJ-UHFFFAOYSA-N 2 2 347.300 4.061 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000893079248 1023763335 /nfs/dbraw/zinc/76/33/35/1023763335.db2.gz HXNWUYWSWVPCKV-TZIWHRDSSA-N 2 2 331.463 4.024 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000893079245 1023763425 /nfs/dbraw/zinc/76/34/25/1023763425.db2.gz HXNWUYWSWVPCKV-CTNGQTDRSA-N 2 2 331.463 4.024 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)[C@@H]1c1cccs1 ZINC000651719030 1024269799 /nfs/dbraw/zinc/26/97/99/1024269799.db2.gz GNNHCQYPNTVNJP-AUUYWEPGSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)[C@@H]1c1cccs1 ZINC000651719030 1024269813 /nfs/dbraw/zinc/26/98/13/1024269813.db2.gz GNNHCQYPNTVNJP-AUUYWEPGSA-N 2 2 341.480 4.062 20 0 EIADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000341707047 1024364446 /nfs/dbraw/zinc/36/44/46/1024364446.db2.gz NBXLFTZEYGQZIC-MRXNPFEDSA-N 2 2 331.847 4.041 20 0 EIADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccccc3Cl)cs1)C2 ZINC000652352740 1024713260 /nfs/dbraw/zinc/71/32/60/1024713260.db2.gz SFRIJMMAKKZTAT-UGSOOPFHSA-N 2 2 347.915 4.024 20 0 EIADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccccc3Cl)cs1)C2 ZINC000652352740 1024713286 /nfs/dbraw/zinc/71/32/86/1024713286.db2.gz SFRIJMMAKKZTAT-UGSOOPFHSA-N 2 2 347.915 4.024 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647223996 1024839235 /nfs/dbraw/zinc/83/92/35/1024839235.db2.gz FXJGKTKHHQIMJD-UHFFFAOYSA-N 2 2 338.842 4.008 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903191 1024978531 /nfs/dbraw/zinc/97/85/31/1024978531.db2.gz TUOWTBXWWGOKIW-UGKGYDQZSA-N 2 2 340.511 4.355 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903191 1024978546 /nfs/dbraw/zinc/97/85/46/1024978546.db2.gz TUOWTBXWWGOKIW-UGKGYDQZSA-N 2 2 340.511 4.355 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)F)cc1 ZINC000121346164 1025205608 /nfs/dbraw/zinc/20/56/08/1025205608.db2.gz WOYWULORHOILMP-AWEZNQCLSA-N 2 2 347.409 4.003 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151111765 1025265820 /nfs/dbraw/zinc/26/58/20/1025265820.db2.gz LEYUHGWKJJGVNB-LLVKDONJSA-N 2 2 330.284 4.309 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)c[nH+]1 ZINC000151350205 1025282837 /nfs/dbraw/zinc/28/28/37/1025282837.db2.gz SNUULVHHBNVOBM-QFIPXVFZSA-N 2 2 331.463 4.489 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000151337415 1025284236 /nfs/dbraw/zinc/28/42/36/1025284236.db2.gz WJRVNJKAAZLQEZ-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151658793 1025399147 /nfs/dbraw/zinc/39/91/47/1025399147.db2.gz HHFZVZCGFMJEDX-CVEARBPZSA-N 2 2 348.450 4.243 20 0 EIADLP Clc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000472056271 1025543460 /nfs/dbraw/zinc/54/34/60/1025543460.db2.gz SVDFCCAOTIQBRV-UHFFFAOYSA-N 2 2 349.931 4.462 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000511048362 1025849997 /nfs/dbraw/zinc/84/99/97/1025849997.db2.gz OQNHHGNEKNOBAP-FPOVZHCZSA-N 2 2 335.426 4.025 20 0 EIADLP Fc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1Cl ZINC001167967642 1025874453 /nfs/dbraw/zinc/87/44/53/1025874453.db2.gz JFPOQVVAPZRQHM-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP Fc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1Cl ZINC001167967642 1025874462 /nfs/dbraw/zinc/87/44/62/1025874462.db2.gz JFPOQVVAPZRQHM-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000344099563 1026014570 /nfs/dbraw/zinc/01/45/70/1026014570.db2.gz YQCUXXQEJUREDL-UHFFFAOYSA-N 2 2 338.282 4.378 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000152099587 1026074674 /nfs/dbraw/zinc/07/46/74/1026074674.db2.gz MXQDJIJVQCOKPK-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344158804 1026077788 /nfs/dbraw/zinc/07/77/88/1026077788.db2.gz CRVZLCMHCHIFHQ-OAQYLSRUSA-N 2 2 344.543 4.397 20 0 EIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564660761 1026078459 /nfs/dbraw/zinc/07/84/59/1026078459.db2.gz KSEDUGKLKFMYEZ-PBHICJAKSA-N 2 2 347.890 4.306 20 0 EIADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152119257 1026114756 /nfs/dbraw/zinc/11/47/56/1026114756.db2.gz PQKDIOWBGDQTIT-KRWDZBQOSA-N 2 2 335.451 4.181 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824314 1026126266 /nfs/dbraw/zinc/12/62/66/1026126266.db2.gz UHXGCMKYKHQTQY-HXUWFJFHSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824314 1026126287 /nfs/dbraw/zinc/12/62/87/1026126287.db2.gz UHXGCMKYKHQTQY-HXUWFJFHSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cccc(C2([NH2+]Cc3ncc(C[NH+](C)C)s3)CCCC2)c1 ZINC000512147036 1026142449 /nfs/dbraw/zinc/14/24/49/1026142449.db2.gz RZHRNNVUASNBSS-UHFFFAOYSA-N 2 2 329.513 4.072 20 0 EIADLP c1cn(-c2csc(C[NH2+]Cc3ccc(-c4ccncc4)cc3)c2)c[nH+]1 ZINC000344227654 1026157308 /nfs/dbraw/zinc/15/73/08/1026157308.db2.gz PCZAKENHBHJSOS-UHFFFAOYSA-N 2 2 346.459 4.286 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303741798 1026189707 /nfs/dbraw/zinc/18/97/07/1026189707.db2.gz IQCITULRUCYTME-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000303741798 1026189714 /nfs/dbraw/zinc/18/97/14/1026189714.db2.gz IQCITULRUCYTME-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741798 1026189719 /nfs/dbraw/zinc/18/97/19/1026189719.db2.gz IQCITULRUCYTME-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741798 1026189726 /nfs/dbraw/zinc/18/97/26/1026189726.db2.gz IQCITULRUCYTME-UTKZUKDTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000319858886 1026263138 /nfs/dbraw/zinc/26/31/38/1026263138.db2.gz OLZWJGYNGWEJKL-CYBMUJFWSA-N 2 2 346.849 4.296 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000319858886 1026263154 /nfs/dbraw/zinc/26/31/54/1026263154.db2.gz OLZWJGYNGWEJKL-CYBMUJFWSA-N 2 2 346.849 4.296 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCCO2 ZINC000162877585 1026320589 /nfs/dbraw/zinc/32/05/89/1026320589.db2.gz GQXZGLZKCCSDIU-SFHVURJKSA-N 2 2 325.456 4.086 20 0 EIADLP Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000121370398 1026321928 /nfs/dbraw/zinc/32/19/28/1026321928.db2.gz WYIKLWLDHRFHSI-UHFFFAOYSA-N 2 2 336.414 4.158 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192738 1026344098 /nfs/dbraw/zinc/34/40/98/1026344098.db2.gz BUEFTMLBGBGJEH-MOPGFXCFSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192738 1026344111 /nfs/dbraw/zinc/34/41/11/1026344111.db2.gz BUEFTMLBGBGJEH-MOPGFXCFSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192738 1026344124 /nfs/dbraw/zinc/34/41/24/1026344124.db2.gz BUEFTMLBGBGJEH-MOPGFXCFSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192738 1026344140 /nfs/dbraw/zinc/34/41/40/1026344140.db2.gz BUEFTMLBGBGJEH-MOPGFXCFSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187363795 1026377248 /nfs/dbraw/zinc/37/72/48/1026377248.db2.gz NOCSDMSTEMQTDH-XHDPSFHLSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000187363795 1026377259 /nfs/dbraw/zinc/37/72/59/1026377259.db2.gz NOCSDMSTEMQTDH-XHDPSFHLSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363795 1026377273 /nfs/dbraw/zinc/37/72/73/1026377273.db2.gz NOCSDMSTEMQTDH-XHDPSFHLSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363795 1026377288 /nfs/dbraw/zinc/37/72/88/1026377288.db2.gz NOCSDMSTEMQTDH-XHDPSFHLSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119730875 1026414408 /nfs/dbraw/zinc/41/44/08/1026414408.db2.gz LMQDVNNJZNNMOL-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000337198908 1026434167 /nfs/dbraw/zinc/43/41/67/1026434167.db2.gz DKRHRNVHOZFFGJ-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000507471779 1026806979 /nfs/dbraw/zinc/80/69/79/1026806979.db2.gz PQGLPQXXUHWUEL-LQWHRVPQSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000507471779 1026806981 /nfs/dbraw/zinc/80/69/81/1026806981.db2.gz PQGLPQXXUHWUEL-LQWHRVPQSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000507540925 1026833159 /nfs/dbraw/zinc/83/31/59/1026833159.db2.gz WVHBETNMOWHXMR-RIFZZMRRSA-N 2 2 343.540 4.439 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000507540925 1026833164 /nfs/dbraw/zinc/83/31/64/1026833164.db2.gz WVHBETNMOWHXMR-RIFZZMRRSA-N 2 2 343.540 4.439 20 0 EIADLP CCC1CCC([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001167586590 1026834301 /nfs/dbraw/zinc/83/43/01/1026834301.db2.gz OLZLPGDOVFZHBV-UHFFFAOYSA-N 2 2 343.559 4.099 20 0 EIADLP CCC1CCC([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001167586590 1026834302 /nfs/dbraw/zinc/83/43/02/1026834302.db2.gz OLZLPGDOVFZHBV-UHFFFAOYSA-N 2 2 343.559 4.099 20 0 EIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152750866 1026835825 /nfs/dbraw/zinc/83/58/25/1026835825.db2.gz UKCRTXLBKWUCFO-ZDUSSCGKSA-N 2 2 332.517 4.001 20 0 EIADLP CCSc1ccccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152764694 1026839124 /nfs/dbraw/zinc/83/91/24/1026839124.db2.gz MHJITBYJICNYRG-HNNXBMFYSA-N 2 2 329.513 4.225 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000152828174 1026853568 /nfs/dbraw/zinc/85/35/68/1026853568.db2.gz YVNOKLNLUJQRPM-CQSZACIVSA-N 2 2 349.931 4.154 20 0 EIADLP Clc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000511180909 1026932464 /nfs/dbraw/zinc/93/24/64/1026932464.db2.gz GRBUHCUUHVJZIA-UHFFFAOYSA-N 2 2 336.266 4.369 20 0 EIADLP Clc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000511180909 1026932470 /nfs/dbraw/zinc/93/24/70/1026932470.db2.gz GRBUHCUUHVJZIA-UHFFFAOYSA-N 2 2 336.266 4.369 20 0 EIADLP Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000301892069 1027133789 /nfs/dbraw/zinc/13/37/89/1027133789.db2.gz VMXMZBZOIRSHCR-MRXNPFEDSA-N 2 2 335.373 4.095 20 0 EIADLP COc1cccc2c(NC[C@H](c3cccs3)[NH+](C)C)cc[nH+]c12 ZINC000302397894 1027306112 /nfs/dbraw/zinc/30/61/12/1027306112.db2.gz DEEAXUFXSODUQR-OAHLLOKOSA-N 2 2 327.453 4.020 20 0 EIADLP COc1cccc2c(NCc3ccc(C[NH+](C)C)c(F)c3)cc[nH+]c12 ZINC000302561605 1027335011 /nfs/dbraw/zinc/33/50/11/1027335011.db2.gz UMUBJYDTUZIHKI-UHFFFAOYSA-N 2 2 339.414 4.056 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119709599 1027374206 /nfs/dbraw/zinc/37/42/06/1027374206.db2.gz APMLMEUXOSGFSJ-CQSZACIVSA-N 2 2 341.524 4.396 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474798339 1027509415 /nfs/dbraw/zinc/50/94/15/1027509415.db2.gz XLIRKUMULQAEIH-FQEVSTJZSA-N 2 2 346.559 4.295 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000639376043 1027593475 /nfs/dbraw/zinc/59/34/75/1027593475.db2.gz QNQAPIGSXWDQKD-UHFFFAOYSA-N 2 2 329.513 4.137 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000474881329 1027728463 /nfs/dbraw/zinc/72/84/63/1027728463.db2.gz HVFCCQJVEBOKJT-DSKINZAPSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C/C(Cl)=C\Cl ZINC000588560107 1027769830 /nfs/dbraw/zinc/76/98/30/1027769830.db2.gz ITABXCVKQSYDBS-YZGPZLFDSA-N 2 2 327.299 4.052 20 0 EIADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305735438 1027806459 /nfs/dbraw/zinc/80/64/59/1027806459.db2.gz LSRWHAWFNMMAJF-RKVPGOIHSA-N 2 2 341.480 4.097 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000443800422 1027893413 /nfs/dbraw/zinc/89/34/13/1027893413.db2.gz LWAIYMKINIIWMC-HBFSDRIKSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000443800422 1027893416 /nfs/dbraw/zinc/89/34/16/1027893416.db2.gz LWAIYMKINIIWMC-HBFSDRIKSA-N 2 2 329.532 4.098 20 0 EIADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153831440 1027988632 /nfs/dbraw/zinc/98/86/32/1027988632.db2.gz PXEFVCBZHHAEOV-PXNSSMCTSA-N 2 2 340.515 4.124 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304956 1028374694 /nfs/dbraw/zinc/37/46/94/1028374694.db2.gz CXGCXEOQGVMKOE-GUYCJALGSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304956 1028374710 /nfs/dbraw/zinc/37/47/10/1028374710.db2.gz CXGCXEOQGVMKOE-GUYCJALGSA-N 2 2 337.389 4.293 20 0 EIADLP CCc1nc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC000155708382 1028492360 /nfs/dbraw/zinc/49/23/60/1028492360.db2.gz QIPSLYAYGRMXGK-AWEZNQCLSA-N 2 2 340.496 4.093 20 0 EIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000583470542 1028779869 /nfs/dbraw/zinc/77/98/69/1028779869.db2.gz RUJANLVWWDIQDN-UNMCSNQZSA-N 2 2 345.490 4.457 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346883908 1028800875 /nfs/dbraw/zinc/80/08/75/1028800875.db2.gz ZIVAQKRIWJUPAN-INIZCTEOSA-N 2 2 338.430 4.164 20 0 EIADLP FC(F)(F)c1ccccc1C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000343306596 1028892651 /nfs/dbraw/zinc/89/26/51/1028892651.db2.gz VSPZGMGDNCFPBW-UHFFFAOYSA-N 2 2 335.373 4.081 20 0 EIADLP FC(F)(F)c1ccccc1C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000343306596 1028892667 /nfs/dbraw/zinc/89/26/67/1028892667.db2.gz VSPZGMGDNCFPBW-UHFFFAOYSA-N 2 2 335.373 4.081 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428430028 1029125865 /nfs/dbraw/zinc/12/58/65/1029125865.db2.gz GUEYEGXSAWATCT-QFBILLFUSA-N 2 2 341.499 4.107 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428430028 1029125873 /nfs/dbraw/zinc/12/58/73/1029125873.db2.gz GUEYEGXSAWATCT-QFBILLFUSA-N 2 2 341.499 4.107 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000536164141 1029390953 /nfs/dbraw/zinc/39/09/53/1029390953.db2.gz QWXFPYNPJATZHO-SUNYJGFJSA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000536164141 1029390971 /nfs/dbraw/zinc/39/09/71/1029390971.db2.gz QWXFPYNPJATZHO-SUNYJGFJSA-N 2 2 333.476 4.016 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151361992 1029498525 /nfs/dbraw/zinc/49/85/25/1029498525.db2.gz HXVYTNHOIZTQPR-OAHLLOKOSA-N 2 2 325.481 4.406 20 0 EIADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)cc2)cs1 ZINC000343561329 1029500517 /nfs/dbraw/zinc/50/05/17/1029500517.db2.gz HSBVUGIQALDSHU-CQSZACIVSA-N 2 2 326.469 4.056 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCC4(CC4)CC3)C2)CC1 ZINC000475334946 1029550083 /nfs/dbraw/zinc/55/00/83/1029550083.db2.gz GGFKIJKSEYGZMX-UHFFFAOYSA-N 2 2 330.438 4.104 20 0 EIADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000475337102 1029551455 /nfs/dbraw/zinc/55/14/55/1029551455.db2.gz PNVGRKGYBKTOBW-NVXWUHKLSA-N 2 2 341.455 4.499 20 0 EIADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475339906 1029556313 /nfs/dbraw/zinc/55/63/13/1029556313.db2.gz WPIADHBKMNJYCS-BACDZXNISA-N 2 2 332.454 4.206 20 0 EIADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475342190 1029558136 /nfs/dbraw/zinc/55/81/36/1029558136.db2.gz KHKKKQWYHHOIRR-DFULUXCASA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC001204784021 1029568209 /nfs/dbraw/zinc/56/82/09/1029568209.db2.gz XYHUDIKTMDZYHM-GOSISDBHSA-N 2 2 334.385 4.296 20 0 EIADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC001204784021 1029568217 /nfs/dbraw/zinc/56/82/17/1029568217.db2.gz XYHUDIKTMDZYHM-GOSISDBHSA-N 2 2 334.385 4.296 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000446844639 1029608892 /nfs/dbraw/zinc/60/88/92/1029608892.db2.gz IMVSHPFMUWTFDK-KRWDZBQOSA-N 2 2 328.422 4.453 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)C1 ZINC000446907877 1029636432 /nfs/dbraw/zinc/63/64/32/1029636432.db2.gz ZTIILTKKCJQGQA-DYESRHJHSA-N 2 2 341.543 4.093 20 0 EIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446913028 1029637988 /nfs/dbraw/zinc/63/79/88/1029637988.db2.gz BWXGJKRTVMZUTJ-JTSKRJEESA-N 2 2 341.543 4.093 20 0 EIADLP C[C@@H]1CC([NH+]2CCC3(CCCO3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065142 1029640302 /nfs/dbraw/zinc/64/03/02/1029640302.db2.gz UBQYTUAVEOTJOY-RTBURBONSA-N 2 2 342.527 4.073 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657832566 1029655696 /nfs/dbraw/zinc/65/56/96/1029655696.db2.gz GDALZSXFMCGDKY-MNOVXSKESA-N 2 2 342.668 4.038 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657832567 1029655929 /nfs/dbraw/zinc/65/59/29/1029655929.db2.gz GDALZSXFMCGDKY-QWRGUYRKSA-N 2 2 342.668 4.038 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000447066487 1029679755 /nfs/dbraw/zinc/67/97/55/1029679755.db2.gz GFCNGDSGRHAJSP-IHWYPQMZSA-N 2 2 326.415 4.086 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000447099343 1029694298 /nfs/dbraw/zinc/69/42/98/1029694298.db2.gz RANBUOBLXUGPIG-KBXCAEBGSA-N 2 2 326.440 4.150 20 0 EIADLP Cc1cc[nH+]c(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000301638149 1029776997 /nfs/dbraw/zinc/77/69/97/1029776997.db2.gz MGBOPFHJCSEEJY-UHFFFAOYSA-N 2 2 349.400 4.485 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000136462699 1029824880 /nfs/dbraw/zinc/82/48/80/1029824880.db2.gz MKAINPRXLNRJDA-IAGOWNOFSA-N 2 2 335.451 4.250 20 0 EIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090968836 1029866666 /nfs/dbraw/zinc/86/66/66/1029866666.db2.gz UZDKMBDZDBFOEA-OAGGEKHMSA-N 2 2 330.369 4.036 20 0 EIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090968836 1029866668 /nfs/dbraw/zinc/86/66/68/1029866668.db2.gz UZDKMBDZDBFOEA-OAGGEKHMSA-N 2 2 330.369 4.036 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000392267001 1030078697 /nfs/dbraw/zinc/07/86/97/1030078697.db2.gz XXBVPEREZGPXGY-PMACEKPBSA-N 2 2 330.516 4.008 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530221412 1030215216 /nfs/dbraw/zinc/21/52/16/1030215216.db2.gz PZNUQAOUAIWOHT-CZUORRHYSA-N 2 2 327.497 4.054 20 0 EIADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530216270 1030223980 /nfs/dbraw/zinc/22/39/80/1030223980.db2.gz ABHVEPNVCXJYIB-WBVHZDCISA-N 2 2 339.508 4.062 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447728502 1030292737 /nfs/dbraw/zinc/29/27/37/1030292737.db2.gz LTIRCCVNAIRSAA-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447728502 1030292744 /nfs/dbraw/zinc/29/27/44/1030292744.db2.gz LTIRCCVNAIRSAA-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447728502 1030292756 /nfs/dbraw/zinc/29/27/56/1030292756.db2.gz LTIRCCVNAIRSAA-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447728502 1030292766 /nfs/dbraw/zinc/29/27/66/1030292766.db2.gz LTIRCCVNAIRSAA-HNNXBMFYSA-N 2 2 326.887 4.075 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000530332187 1030306431 /nfs/dbraw/zinc/30/64/31/1030306431.db2.gz HHFRDTBTTLNYFH-UHFFFAOYSA-N 2 2 341.499 4.108 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530332187 1030306444 /nfs/dbraw/zinc/30/64/44/1030306444.db2.gz HHFRDTBTTLNYFH-UHFFFAOYSA-N 2 2 341.499 4.108 20 0 EIADLP CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000685463268 1030344600 /nfs/dbraw/zinc/34/46/00/1030344600.db2.gz NCEAJZXDRDQHBE-SFHVURJKSA-N 2 2 335.451 4.232 20 0 EIADLP CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000685463268 1030344618 /nfs/dbraw/zinc/34/46/18/1030344618.db2.gz NCEAJZXDRDQHBE-SFHVURJKSA-N 2 2 335.451 4.232 20 0 EIADLP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527042453 1030424796 /nfs/dbraw/zinc/42/47/96/1030424796.db2.gz HSBATDXRQNPHRN-AWEZNQCLSA-N 2 2 327.378 4.044 20 0 EIADLP CSc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000685617389 1030579469 /nfs/dbraw/zinc/57/94/69/1030579469.db2.gz MRFDRAWZLYMHIK-MRXNPFEDSA-N 2 2 343.521 4.277 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658205947 1030881510 /nfs/dbraw/zinc/88/15/10/1030881510.db2.gz FPRHTPKDHQYSSE-XJABCFGWSA-N 2 2 347.462 4.096 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925276 1030922662 /nfs/dbraw/zinc/92/26/62/1030922662.db2.gz MDNBYPWATRRAJK-JTSKRJEESA-N 2 2 341.543 4.098 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000527925276 1030922678 /nfs/dbraw/zinc/92/26/78/1030922678.db2.gz MDNBYPWATRRAJK-JTSKRJEESA-N 2 2 341.543 4.098 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000658292850 1030959266 /nfs/dbraw/zinc/95/92/66/1030959266.db2.gz CDRCWNKCOPJWNO-DENIHFKCSA-N 2 2 338.495 4.134 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527934851 1030977351 /nfs/dbraw/zinc/97/73/51/1030977351.db2.gz LETIOZFOZHOZFB-MRXNPFEDSA-N 2 2 332.451 4.267 20 0 EIADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355243 1031202292 /nfs/dbraw/zinc/20/22/92/1031202292.db2.gz NXLSDKCHWMRPEW-UFYCRDLUSA-N 2 2 342.483 4.091 20 0 EIADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355243 1031202314 /nfs/dbraw/zinc/20/23/14/1031202314.db2.gz NXLSDKCHWMRPEW-UFYCRDLUSA-N 2 2 342.483 4.091 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)CC1 ZINC000449087187 1031418286 /nfs/dbraw/zinc/41/82/86/1031418286.db2.gz UTGLQOSBZOPIBC-NHCUHLMSSA-N 2 2 342.527 4.151 20 0 EIADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000449073748 1031428449 /nfs/dbraw/zinc/42/84/49/1031428449.db2.gz NXXPVHQLUJBPFS-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000449075206 1031429083 /nfs/dbraw/zinc/42/90/83/1031429083.db2.gz MHEJOOIEIFPOPK-UHFFFAOYSA-N 2 2 349.478 4.256 20 0 EIADLP CSCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000449099123 1031440002 /nfs/dbraw/zinc/44/00/02/1031440002.db2.gz SNPSIBXSJOMHNA-UHFFFAOYSA-N 2 2 333.476 4.023 20 0 EIADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc2ccccc21 ZINC000449172636 1031494882 /nfs/dbraw/zinc/49/48/82/1031494882.db2.gz WAVMSQIIRSCFOI-GOSISDBHSA-N 2 2 335.451 4.021 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)[C@@H]1c1cccs1 ZINC000449161371 1031501294 /nfs/dbraw/zinc/50/12/94/1031501294.db2.gz ORJBBHAXFKBZQS-CRAIPNDOSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)[C@@H]1c1cccs1 ZINC000449161371 1031501306 /nfs/dbraw/zinc/50/13/06/1031501306.db2.gz ORJBBHAXFKBZQS-CRAIPNDOSA-N 2 2 341.480 4.062 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453055555 1031546128 /nfs/dbraw/zinc/54/61/28/1031546128.db2.gz JVPSATWGLQPBLC-MSOLQXFVSA-N 2 2 334.467 4.329 20 0 EIADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000453057217 1031546938 /nfs/dbraw/zinc/54/69/38/1031546938.db2.gz MEYWUJKFWZJMLM-INIZCTEOSA-N 2 2 327.472 4.112 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000453100429 1031557744 /nfs/dbraw/zinc/55/77/44/1031557744.db2.gz WWKILVORRVXKPN-KRWDZBQOSA-N 2 2 325.456 4.010 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(-c2ccccc2)nn1C ZINC000453086995 1031577703 /nfs/dbraw/zinc/57/77/03/1031577703.db2.gz HTEANXPWPHNGLY-KRWDZBQOSA-N 2 2 349.482 4.025 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCOCC1)c1ccccc1 ZINC000453106832 1031597646 /nfs/dbraw/zinc/59/76/46/1031597646.db2.gz FPEWBYHYXBJXGA-LAUBAEHRSA-N 2 2 342.527 4.055 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112157 1031604883 /nfs/dbraw/zinc/60/48/83/1031604883.db2.gz STOPCEMKEQFIAJ-YLJYHZDGSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112157 1031604897 /nfs/dbraw/zinc/60/48/97/1031604897.db2.gz STOPCEMKEQFIAJ-YLJYHZDGSA-N 2 2 346.540 4.417 20 0 EIADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000449308809 1031613991 /nfs/dbraw/zinc/61/39/91/1031613991.db2.gz ZXNVPGTVTLCHRH-KRWDZBQOSA-N 2 2 327.447 4.047 20 0 EIADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1F ZINC000449308809 1031614008 /nfs/dbraw/zinc/61/40/08/1031614008.db2.gz ZXNVPGTVTLCHRH-KRWDZBQOSA-N 2 2 327.447 4.047 20 0 EIADLP C[C@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449331212 1031626366 /nfs/dbraw/zinc/62/63/66/1031626366.db2.gz NRPJZEYWUKJVIL-OAHLLOKOSA-N 2 2 348.437 4.258 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnc3ccsc3c2)cn1 ZINC000126450366 1031647967 /nfs/dbraw/zinc/64/79/67/1031647967.db2.gz PKPREXPJRISBKJ-CYBMUJFWSA-N 2 2 349.463 4.036 20 0 EIADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CC1CCOCC1 ZINC000449351747 1031648978 /nfs/dbraw/zinc/64/89/78/1031648978.db2.gz QWJONPXXGRLPRB-HNNXBMFYSA-N 2 2 347.890 4.068 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cn1 ZINC000126490780 1031650511 /nfs/dbraw/zinc/65/05/11/1031650511.db2.gz IOVZRCYMIDCXQI-CQSZACIVSA-N 2 2 332.407 4.173 20 0 EIADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168263172 1031859857 /nfs/dbraw/zinc/85/98/57/1031859857.db2.gz BNSLMHNPSFBANM-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168263172 1031859861 /nfs/dbraw/zinc/85/98/61/1031859861.db2.gz BNSLMHNPSFBANM-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168263172 1031859870 /nfs/dbraw/zinc/85/98/70/1031859870.db2.gz BNSLMHNPSFBANM-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168263172 1031859879 /nfs/dbraw/zinc/85/98/79/1031859879.db2.gz BNSLMHNPSFBANM-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000531951897 1031866483 /nfs/dbraw/zinc/86/64/83/1031866483.db2.gz FOFCDLAOFRDKDN-OPYAIIAOSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000531951897 1031866484 /nfs/dbraw/zinc/86/64/84/1031866484.db2.gz FOFCDLAOFRDKDN-OPYAIIAOSA-N 2 2 329.532 4.098 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCSc3ccccc32)[nH+]1 ZINC000132149974 1031898686 /nfs/dbraw/zinc/89/86/86/1031898686.db2.gz BTGRDGYTAMEBLV-IBGZPJMESA-N 2 2 349.503 4.301 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1OC ZINC000132273873 1031909987 /nfs/dbraw/zinc/90/99/87/1031909987.db2.gz RBCZQDYTIHQPOY-FQEVSTJZSA-N 2 2 349.478 4.223 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264530 1031968034 /nfs/dbraw/zinc/96/80/34/1031968034.db2.gz KHFFGSFDHNNAIT-WTANOLMUSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264530 1031968052 /nfs/dbraw/zinc/96/80/52/1031968052.db2.gz KHFFGSFDHNNAIT-WTANOLMUSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264530 1031968060 /nfs/dbraw/zinc/96/80/60/1031968060.db2.gz KHFFGSFDHNNAIT-WTANOLMUSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168264530 1031968075 /nfs/dbraw/zinc/96/80/75/1031968075.db2.gz KHFFGSFDHNNAIT-WTANOLMUSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc2c(s1)CCC2 ZINC000152108013 1033504749 /nfs/dbraw/zinc/50/47/49/1033504749.db2.gz JHFIKBLITZUWMC-OAHLLOKOSA-N 2 2 337.492 4.332 20 0 EIADLP C[N@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513454079 1034953380 /nfs/dbraw/zinc/95/33/80/1034953380.db2.gz CGMWOZRWHHDJFP-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513454079 1034953386 /nfs/dbraw/zinc/95/33/86/1034953386.db2.gz CGMWOZRWHHDJFP-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034122 1035360812 /nfs/dbraw/zinc/36/08/12/1035360812.db2.gz XFANUHDJSQYXHE-HIFRSBDPSA-N 2 2 337.389 4.412 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034122 1035360816 /nfs/dbraw/zinc/36/08/16/1035360816.db2.gz XFANUHDJSQYXHE-HIFRSBDPSA-N 2 2 337.389 4.412 20 0 EIADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000420314940 1035508433 /nfs/dbraw/zinc/50/84/33/1035508433.db2.gz LTHZWWDKGVFRBK-CYBMUJFWSA-N 2 2 335.904 4.167 20 0 EIADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000420314940 1035508443 /nfs/dbraw/zinc/50/84/43/1035508443.db2.gz LTHZWWDKGVFRBK-CYBMUJFWSA-N 2 2 335.904 4.167 20 0 EIADLP Fc1cccc(F)c1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420312743 1035510316 /nfs/dbraw/zinc/51/03/16/1035510316.db2.gz OUWUTVWDEKVNIC-SFHVURJKSA-N 2 2 348.462 4.171 20 0 EIADLP Fc1cccc(F)c1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420312743 1035510329 /nfs/dbraw/zinc/51/03/29/1035510329.db2.gz OUWUTVWDEKVNIC-SFHVURJKSA-N 2 2 348.462 4.171 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2cccc(C3CC3)c2)[nH+]1 ZINC000421335489 1036299986 /nfs/dbraw/zinc/29/99/86/1036299986.db2.gz SMLKMGIDVNLXTM-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP CC[N@H+](CCC1CC[NH+](CC(=O)c2ccccc2F)CC1)CC(C)C ZINC001168414102 1036822720 /nfs/dbraw/zinc/82/27/20/1036822720.db2.gz OABHCVRDTWXHEG-UHFFFAOYSA-N 2 2 348.506 4.088 20 0 EIADLP CC[N@@H+](CCC1CC[NH+](CC(=O)c2ccccc2F)CC1)CC(C)C ZINC001168414102 1036822723 /nfs/dbraw/zinc/82/27/23/1036822723.db2.gz OABHCVRDTWXHEG-UHFFFAOYSA-N 2 2 348.506 4.088 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000486969704 1036913638 /nfs/dbraw/zinc/91/36/38/1036913638.db2.gz OKPKCKPKMZLJBZ-UHFFFAOYSA-N 2 2 334.916 4.464 20 0 EIADLP CC[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999701 1036918428 /nfs/dbraw/zinc/91/84/28/1036918428.db2.gz UGODQWAVRQLJKC-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP CC[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999701 1036918448 /nfs/dbraw/zinc/91/84/48/1036918448.db2.gz UGODQWAVRQLJKC-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP COc1cccc(C2([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000272206881 1037129403 /nfs/dbraw/zinc/12/94/03/1037129403.db2.gz KAUAVWSNFOZCDR-MRXNPFEDSA-N 2 2 333.435 4.221 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000272355880 1037170658 /nfs/dbraw/zinc/17/06/58/1037170658.db2.gz RJMMXOBPDPJWQW-BQFCYCMXSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000272355880 1037170660 /nfs/dbraw/zinc/17/06/60/1037170660.db2.gz RJMMXOBPDPJWQW-BQFCYCMXSA-N 2 2 343.902 4.296 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000604415140 1037383732 /nfs/dbraw/zinc/38/37/32/1037383732.db2.gz XKDZCCPBCJWNLM-HZPDHXFCSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000604415140 1037383748 /nfs/dbraw/zinc/38/37/48/1037383748.db2.gz XKDZCCPBCJWNLM-HZPDHXFCSA-N 2 2 328.431 4.111 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303041 1037496998 /nfs/dbraw/zinc/49/69/98/1037496998.db2.gz TWRYZSFGKHZRCO-DLBZAZTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303041 1037497004 /nfs/dbraw/zinc/49/70/04/1037497004.db2.gz TWRYZSFGKHZRCO-DLBZAZTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303041 1037497011 /nfs/dbraw/zinc/49/70/11/1037497011.db2.gz TWRYZSFGKHZRCO-DLBZAZTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303041 1037497017 /nfs/dbraw/zinc/49/70/17/1037497017.db2.gz TWRYZSFGKHZRCO-DLBZAZTESA-N 2 2 343.490 4.393 20 0 EIADLP Fc1ccc(/C=C/C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000573726500 1037679036 /nfs/dbraw/zinc/67/90/36/1037679036.db2.gz IRNFOXAIXOTOQY-DUXPYHPUSA-N 2 2 345.437 4.367 20 0 EIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000573790798 1037698393 /nfs/dbraw/zinc/69/83/93/1037698393.db2.gz UNIUZEVUCPKJBB-WBVHZDCISA-N 2 2 327.472 4.187 20 0 EIADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435445 1037755479 /nfs/dbraw/zinc/75/54/79/1037755479.db2.gz MEMPVLBDAJQBBS-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435445 1037755493 /nfs/dbraw/zinc/75/54/93/1037755493.db2.gz MEMPVLBDAJQBBS-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422740252 1037822395 /nfs/dbraw/zinc/82/23/95/1037822395.db2.gz BJZHZMNFODVQQN-KNKQGSTJSA-N 3 2 343.559 4.112 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422866279 1037848687 /nfs/dbraw/zinc/84/86/87/1037848687.db2.gz QAESYJGRNKUTGJ-RTBURBONSA-N 2 2 340.467 4.109 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422866259 1037849572 /nfs/dbraw/zinc/84/95/72/1037849572.db2.gz PZCZUEWCWWGJHW-AVRDEDQJSA-N 2 2 338.495 4.024 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422872596 1037857736 /nfs/dbraw/zinc/85/77/36/1037857736.db2.gz HSHQRHKHIGOWNN-RTWAWAEBSA-N 2 2 346.478 4.230 20 0 EIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422874197 1037857834 /nfs/dbraw/zinc/85/78/34/1037857834.db2.gz CGFMFZGQGORYSN-NLSFWIRASA-N 3 2 349.522 4.153 20 0 EIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422874197 1037857846 /nfs/dbraw/zinc/85/78/46/1037857846.db2.gz CGFMFZGQGORYSN-NLSFWIRASA-N 3 2 349.522 4.153 20 0 EIADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(O[C@@H](C)CC(C)C)c1 ZINC000422872853 1037858830 /nfs/dbraw/zinc/85/88/30/1037858830.db2.gz IWDHQQBVGGVPJM-DLBZAZTESA-N 2 2 341.499 4.467 20 0 EIADLP Clc1cccc(Cl)c1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423122046 1037966125 /nfs/dbraw/zinc/96/61/25/1037966125.db2.gz JYDLIIISBLXYCV-IUMDCYBTSA-N 2 2 325.283 4.317 20 0 EIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000423193094 1038049882 /nfs/dbraw/zinc/04/98/82/1038049882.db2.gz WLFSJBNMJVTBTG-CYBMUJFWSA-N 2 2 338.282 4.219 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000606470924 1038096401 /nfs/dbraw/zinc/09/64/01/1038096401.db2.gz GBSLUUSJJOQIDH-IRLDBZIGSA-N 2 2 331.463 4.373 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cnc3ccccc3c2)cc1 ZINC000423368510 1038185464 /nfs/dbraw/zinc/18/54/64/1038185464.db2.gz RYVXOAOLGZXRIM-IFMALSPDSA-N 2 2 349.453 4.195 20 0 EIADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc2ccccc2c1 ZINC000423406891 1038217275 /nfs/dbraw/zinc/21/72/75/1038217275.db2.gz VFRVCJGNGPCDBM-ZDFPQIBNSA-N 2 2 338.495 4.025 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574957 1038220668 /nfs/dbraw/zinc/22/06/68/1038220668.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574957 1038220689 /nfs/dbraw/zinc/22/06/89/1038220689.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574957 1038220698 /nfs/dbraw/zinc/22/06/98/1038220698.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574957 1038220713 /nfs/dbraw/zinc/22/07/13/1038220713.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2cnc3ccccc3c2)cc1 ZINC000423554223 1038294491 /nfs/dbraw/zinc/29/44/91/1038294491.db2.gz LLXGLKBFUFNXHX-QFIPXVFZSA-N 2 2 349.453 4.195 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000608141921 1038647658 /nfs/dbraw/zinc/64/76/58/1038647658.db2.gz LLTWVNRRRZYPFA-ZWKOTPCHSA-N 2 2 348.918 4.378 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000608141921 1038647660 /nfs/dbraw/zinc/64/76/60/1038647660.db2.gz LLTWVNRRRZYPFA-ZWKOTPCHSA-N 2 2 348.918 4.378 20 0 EIADLP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000550735377 1038827022 /nfs/dbraw/zinc/82/70/22/1038827022.db2.gz GMEZDNOCAMWKJZ-TZIWHRDSSA-N 2 2 336.479 4.109 20 0 EIADLP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000550735377 1038827023 /nfs/dbraw/zinc/82/70/23/1038827023.db2.gz GMEZDNOCAMWKJZ-TZIWHRDSSA-N 2 2 336.479 4.109 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1Cl ZINC000162856068 1038883134 /nfs/dbraw/zinc/88/31/34/1038883134.db2.gz FADOQBQCYKBEHS-CQSZACIVSA-N 2 2 333.863 4.287 20 0 EIADLP CC[N@@H+](Cc1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617771 1038936864 /nfs/dbraw/zinc/93/68/64/1038936864.db2.gz ZTEMKSIDKTWKKZ-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617771 1038936880 /nfs/dbraw/zinc/93/68/80/1038936880.db2.gz ZTEMKSIDKTWKKZ-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481045421 1038980114 /nfs/dbraw/zinc/98/01/14/1038980114.db2.gz XDVPTBVWDXHOBP-HOTGVXAUSA-N 2 2 339.414 4.130 20 0 EIADLP Clc1ccc(SCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534126796 1039143960 /nfs/dbraw/zinc/14/39/60/1039143960.db2.gz ZPMLVYCWZAHUHN-UHFFFAOYSA-N 2 2 347.915 4.404 20 0 EIADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000090176734 1039190090 /nfs/dbraw/zinc/19/00/90/1039190090.db2.gz VOQMIRUUVRAFLP-FOIQADDNSA-N 2 2 339.414 4.050 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3ccc(Cl)cc31)CCC2 ZINC000534238853 1039235051 /nfs/dbraw/zinc/23/50/51/1039235051.db2.gz MPYWLPZWLLBCCV-QAPCUYQASA-N 2 2 329.875 4.390 20 0 EIADLP c1ccc(C([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cc1 ZINC000121360808 1039370802 /nfs/dbraw/zinc/37/08/02/1039370802.db2.gz JXQUWYQKNAACEK-UHFFFAOYSA-N 2 2 343.474 4.430 20 0 EIADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(F)c1F ZINC001143610674 1039553936 /nfs/dbraw/zinc/55/39/36/1039553936.db2.gz BYAHTXAIQLNHLA-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(F)c1F ZINC001143610674 1039553950 /nfs/dbraw/zinc/55/39/50/1039553950.db2.gz BYAHTXAIQLNHLA-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678423 1039795206 /nfs/dbraw/zinc/79/52/06/1039795206.db2.gz GNUNTVHRZPNKQO-AWEZNQCLSA-N 2 2 345.437 4.438 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000414850015 1039804520 /nfs/dbraw/zinc/80/45/20/1039804520.db2.gz RWXHDCPVCQITDR-FQEVSTJZSA-N 2 2 337.442 4.287 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000482166294 1040055287 /nfs/dbraw/zinc/05/52/87/1040055287.db2.gz SWUHSYMFBNNDCV-MAUKXSAKSA-N 2 2 347.528 4.393 20 0 EIADLP C[NH+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479263756 1040231186 /nfs/dbraw/zinc/23/11/86/1040231186.db2.gz QQSJNVDWTKIYHM-GOSISDBHSA-N 2 2 347.300 4.080 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000668075576 1040358112 /nfs/dbraw/zinc/35/81/12/1040358112.db2.gz VOZAGWKFNANZFA-UHFFFAOYSA-N 2 2 339.464 4.043 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC(C)CC2)CCOCC1)c1ccccc1 ZINC000553823315 1040556752 /nfs/dbraw/zinc/55/67/52/1040556752.db2.gz PPDHKXNOTDHIQU-FDYSRKEFSA-N 2 2 330.516 4.055 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000551779492 1040584482 /nfs/dbraw/zinc/58/44/82/1040584482.db2.gz ZZTNIPARZMTFMI-IXDOHACOSA-N 2 2 349.400 4.143 20 0 EIADLP Cc1ccccc1C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000551791004 1040606889 /nfs/dbraw/zinc/60/68/89/1040606889.db2.gz BYKLHAUFCSFGJV-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP CCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000539660566 1040664544 /nfs/dbraw/zinc/66/45/44/1040664544.db2.gz ZIFGXIXEEWIBBC-UXHICEINSA-N 2 2 338.499 4.175 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000667563677 1040713041 /nfs/dbraw/zinc/71/30/41/1040713041.db2.gz MNWSUPCBLJAQMR-UHFFFAOYSA-N 2 2 338.480 4.152 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000483255307 1040792358 /nfs/dbraw/zinc/79/23/58/1040792358.db2.gz KBBJMARAYMVUSW-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000483255307 1040792370 /nfs/dbraw/zinc/79/23/70/1040792370.db2.gz KBBJMARAYMVUSW-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255307 1040792390 /nfs/dbraw/zinc/79/23/90/1040792390.db2.gz KBBJMARAYMVUSW-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255307 1040792410 /nfs/dbraw/zinc/79/24/10/1040792410.db2.gz KBBJMARAYMVUSW-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483281332 1040805389 /nfs/dbraw/zinc/80/53/89/1040805389.db2.gz CABCSENNMBRNHH-HNNXBMFYSA-N 2 2 348.437 4.389 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483281332 1040805390 /nfs/dbraw/zinc/80/53/90/1040805390.db2.gz CABCSENNMBRNHH-HNNXBMFYSA-N 2 2 348.437 4.389 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]CCC3CCCCC3)CCCC2)no1 ZINC000483303332 1040810865 /nfs/dbraw/zinc/81/08/65/1040810865.db2.gz MDAPMRKWGNGWSE-UHFFFAOYSA-N 2 2 348.535 4.241 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000539837881 1040816586 /nfs/dbraw/zinc/81/65/86/1040816586.db2.gz BGUHBGKJHWQDPD-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000539837881 1040816587 /nfs/dbraw/zinc/81/65/87/1040816587.db2.gz BGUHBGKJHWQDPD-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837881 1040816589 /nfs/dbraw/zinc/81/65/89/1040816589.db2.gz BGUHBGKJHWQDPD-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837881 1040816590 /nfs/dbraw/zinc/81/65/90/1040816590.db2.gz BGUHBGKJHWQDPD-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000539822184 1040817842 /nfs/dbraw/zinc/81/78/42/1040817842.db2.gz JGSTYSJNXDTCGS-HOCLYGCPSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000539822184 1040817848 /nfs/dbraw/zinc/81/78/48/1040817848.db2.gz JGSTYSJNXDTCGS-HOCLYGCPSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000539822184 1040817852 /nfs/dbraw/zinc/81/78/52/1040817852.db2.gz JGSTYSJNXDTCGS-HOCLYGCPSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000539822184 1040817858 /nfs/dbraw/zinc/81/78/58/1040817858.db2.gz JGSTYSJNXDTCGS-HOCLYGCPSA-N 2 2 330.447 4.309 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000539850696 1040839967 /nfs/dbraw/zinc/83/99/67/1040839967.db2.gz NBPSSVGMJQNJHZ-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000539850696 1040839976 /nfs/dbraw/zinc/83/99/76/1040839976.db2.gz NBPSSVGMJQNJHZ-INIZCTEOSA-N 2 2 335.561 4.355 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000539850697 1040841089 /nfs/dbraw/zinc/84/10/89/1040841089.db2.gz NBPSSVGMJQNJHZ-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000539850697 1040841097 /nfs/dbraw/zinc/84/10/97/1040841097.db2.gz NBPSSVGMJQNJHZ-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP CSc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000436289062 1041053276 /nfs/dbraw/zinc/05/32/76/1041053276.db2.gz WRCAPZYSJWALOR-INIZCTEOSA-N 2 2 337.492 4.488 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000491286858 1041134433 /nfs/dbraw/zinc/13/44/33/1041134433.db2.gz XXJDTKVGPUXFJK-SFHVURJKSA-N 2 2 329.806 4.055 20 0 EIADLP FC(F)(F)c1cc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)ccc1Cl ZINC000538322465 1041265349 /nfs/dbraw/zinc/26/53/49/1041265349.db2.gz VJYYWZLURUZIJI-OAHLLOKOSA-N 2 2 343.780 4.296 20 0 EIADLP FC(F)(F)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000540262756 1041329321 /nfs/dbraw/zinc/32/93/21/1041329321.db2.gz HTOCWACJIJVQEZ-KRWDZBQOSA-N 2 2 337.389 4.423 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000480556218 1041391455 /nfs/dbraw/zinc/39/14/55/1041391455.db2.gz QAZGHOBZPINPMA-UXHICEINSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000480556218 1041391460 /nfs/dbraw/zinc/39/14/60/1041391460.db2.gz QAZGHOBZPINPMA-UXHICEINSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000480556218 1041391467 /nfs/dbraw/zinc/39/14/67/1041391467.db2.gz QAZGHOBZPINPMA-UXHICEINSA-N 2 2 342.527 4.154 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000480556218 1041391475 /nfs/dbraw/zinc/39/14/75/1041391475.db2.gz QAZGHOBZPINPMA-UXHICEINSA-N 2 2 342.527 4.154 20 0 EIADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000554856677 1041457110 /nfs/dbraw/zinc/45/71/10/1041457110.db2.gz YVNJUAJHGXCUPI-CQSZACIVSA-N 2 2 325.378 4.075 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720622 1041490857 /nfs/dbraw/zinc/49/08/57/1041490857.db2.gz KGRLRRNMUNPKET-LRDDRELGSA-N 2 2 332.385 4.007 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720622 1041490860 /nfs/dbraw/zinc/49/08/60/1041490860.db2.gz KGRLRRNMUNPKET-LRDDRELGSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720622 1041490863 /nfs/dbraw/zinc/49/08/63/1041490863.db2.gz KGRLRRNMUNPKET-LRDDRELGSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000538720622 1041490866 /nfs/dbraw/zinc/49/08/66/1041490866.db2.gz KGRLRRNMUNPKET-LRDDRELGSA-N 2 2 332.385 4.007 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732816 1041505533 /nfs/dbraw/zinc/50/55/33/1041505533.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732816 1041505550 /nfs/dbraw/zinc/50/55/50/1041505550.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732816 1041505566 /nfs/dbraw/zinc/50/55/66/1041505566.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732816 1041505576 /nfs/dbraw/zinc/50/55/76/1041505576.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732816 1041505588 /nfs/dbraw/zinc/50/55/88/1041505588.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732816 1041505602 /nfs/dbraw/zinc/50/56/02/1041505602.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732816 1041505613 /nfs/dbraw/zinc/50/56/13/1041505613.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732816 1041505624 /nfs/dbraw/zinc/50/56/24/1041505624.db2.gz VCQUWAALENFUEV-PXNSSMCTSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000480755033 1041511056 /nfs/dbraw/zinc/51/10/56/1041511056.db2.gz ZVRCMPGJTGTWRR-UONOGXRCSA-N 2 2 329.444 4.490 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540753499 1041641850 /nfs/dbraw/zinc/64/18/50/1041641850.db2.gz PSAYINFVZVXMRW-DYESRHJHSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540753499 1041641858 /nfs/dbraw/zinc/64/18/58/1041641858.db2.gz PSAYINFVZVXMRW-DYESRHJHSA-N 2 2 338.470 4.458 20 0 EIADLP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437107249 1041651573 /nfs/dbraw/zinc/65/15/73/1041651573.db2.gz ANNFELOGRFCNPW-XJKSGUPXSA-N 2 2 325.378 4.500 20 0 EIADLP CSC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990181 1041769134 /nfs/dbraw/zinc/76/91/34/1041769134.db2.gz FYSKMFGDIXEKNY-MAZHCROVSA-N 2 2 346.462 4.182 20 0 EIADLP CSC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990181 1041769142 /nfs/dbraw/zinc/76/91/42/1041769142.db2.gz FYSKMFGDIXEKNY-MAZHCROVSA-N 2 2 346.462 4.182 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000516992121 1041833563 /nfs/dbraw/zinc/83/35/63/1041833563.db2.gz AZMNFVZELGEUGU-DYESRHJHSA-N 2 2 331.463 4.312 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000516992123 1041833900 /nfs/dbraw/zinc/83/39/00/1041833900.db2.gz AZMNFVZELGEUGU-UTKZUKDTSA-N 2 2 331.463 4.312 20 0 EIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000464052853 1041849419 /nfs/dbraw/zinc/84/94/19/1041849419.db2.gz YZOPVOMKRVACMZ-NRFANRHFSA-N 2 2 337.442 4.368 20 0 EIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C2 ZINC000541542772 1041990662 /nfs/dbraw/zinc/99/06/62/1041990662.db2.gz FDRJKGBCTCHLAN-DYESRHJHSA-N 2 2 349.478 4.468 20 0 EIADLP C[C@@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)Cn1cc[nH+]c1 ZINC000517561916 1042080600 /nfs/dbraw/zinc/08/06/00/1042080600.db2.gz UMMLOYVAZRJVKR-ZDUSSCGKSA-N 2 2 346.887 4.086 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844502 1042135868 /nfs/dbraw/zinc/13/58/68/1042135868.db2.gz RBIZCFFTYNXAQL-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844502 1042135876 /nfs/dbraw/zinc/13/58/76/1042135876.db2.gz RBIZCFFTYNXAQL-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844567 1042194424 /nfs/dbraw/zinc/19/44/24/1042194424.db2.gz IGEOVIRZCLZCJW-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844567 1042194430 /nfs/dbraw/zinc/19/44/30/1042194430.db2.gz IGEOVIRZCLZCJW-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844567 1042194439 /nfs/dbraw/zinc/19/44/39/1042194439.db2.gz IGEOVIRZCLZCJW-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844567 1042194445 /nfs/dbraw/zinc/19/44/45/1042194445.db2.gz IGEOVIRZCLZCJW-SJLPKXTDSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H]([NH2+]CCCOCCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542009575 1042230463 /nfs/dbraw/zinc/23/04/63/1042230463.db2.gz MUCWUQZLNJZGTD-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)Cc1ccsc1 ZINC000542167118 1042313226 /nfs/dbraw/zinc/31/32/26/1042313226.db2.gz IXXIXOOUYGWQDO-KRWDZBQOSA-N 2 2 343.540 4.313 20 0 EIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)Cc1ccsc1 ZINC000542167118 1042313232 /nfs/dbraw/zinc/31/32/32/1042313232.db2.gz IXXIXOOUYGWQDO-KRWDZBQOSA-N 2 2 343.540 4.313 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000492067382 1042545845 /nfs/dbraw/zinc/54/58/45/1042545845.db2.gz XEFDYMDICGCKDO-OAHLLOKOSA-N 2 2 333.863 4.230 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000492067382 1042545851 /nfs/dbraw/zinc/54/58/51/1042545851.db2.gz XEFDYMDICGCKDO-OAHLLOKOSA-N 2 2 333.863 4.230 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000493174276 1042838004 /nfs/dbraw/zinc/83/80/04/1042838004.db2.gz IIIDZNMZEMRPSF-JXFKEZNVSA-N 2 2 341.474 4.487 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000493339311 1042898671 /nfs/dbraw/zinc/89/86/71/1042898671.db2.gz SJZPFTYOVFBUHQ-UHFFFAOYSA-N 2 2 333.863 4.230 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000895110361 1043019276 /nfs/dbraw/zinc/01/92/76/1043019276.db2.gz JLKYAXWYSQGTAX-YHUYYLMFSA-N 2 2 341.421 4.279 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000507808694 1043034073 /nfs/dbraw/zinc/03/40/73/1043034073.db2.gz BXATXXREATZLGH-SFHVURJKSA-N 2 2 340.467 4.380 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000507808694 1043034078 /nfs/dbraw/zinc/03/40/78/1043034078.db2.gz BXATXXREATZLGH-SFHVURJKSA-N 2 2 340.467 4.380 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000765955663 1043084518 /nfs/dbraw/zinc/08/45/18/1043084518.db2.gz AURCJEFOSLJJBE-LZJOCLMNSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000765955659 1043086385 /nfs/dbraw/zinc/08/63/85/1043086385.db2.gz AURCJEFOSLJJBE-CBGDNZLLSA-N 2 2 329.532 4.136 20 0 EIADLP c1cn(Cc2ccc(-c3ccccc3C[C@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000665211902 1043097272 /nfs/dbraw/zinc/09/72/72/1043097272.db2.gz JQJBUOCIGYGWPT-OAQYLSRUSA-N 2 2 331.463 4.283 20 0 EIADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000507827501 1043129700 /nfs/dbraw/zinc/12/97/00/1043129700.db2.gz DPQOOSDLONPVQY-FQEVSTJZSA-N 2 2 342.433 4.206 20 0 EIADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCS2 ZINC000427721229 1043179218 /nfs/dbraw/zinc/17/92/18/1043179218.db2.gz PUBVGGBLMBTJBV-QGZVFWFLSA-N 2 2 327.497 4.327 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000427876583 1043235176 /nfs/dbraw/zinc/23/51/76/1043235176.db2.gz VZHXGDARVVZOKT-ZFWWWQNUSA-N 2 2 333.888 4.068 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000427889407 1043253404 /nfs/dbraw/zinc/25/34/04/1043253404.db2.gz GSEJOYDFIWIBQE-XJKSGUPXSA-N 2 2 341.455 4.416 20 0 EIADLP Clc1ccc(C[NH+]2CCC(n3c[nH+]c4c3CCCC4)CC2)cc1 ZINC000672557827 1043289485 /nfs/dbraw/zinc/28/94/85/1043289485.db2.gz SVEYVNBZTGTZDP-UHFFFAOYSA-N 2 2 329.875 4.252 20 0 EIADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000536165055 1043302258 /nfs/dbraw/zinc/30/22/58/1043302258.db2.gz YYHVMHFZGRXOIM-QGZVFWFLSA-N 2 2 348.288 4.093 20 0 EIADLP CCCc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000187332755 1043341536 /nfs/dbraw/zinc/34/15/36/1043341536.db2.gz XZNUULSNLCWYJY-GOSISDBHSA-N 2 2 337.511 4.349 20 0 EIADLP COc1cccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000674048693 1043350792 /nfs/dbraw/zinc/35/07/92/1043350792.db2.gz ATFVRXVMVZBIQV-UZLBHIALSA-N 2 2 335.451 4.063 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2sccc2C)cc1F ZINC000665259229 1043385017 /nfs/dbraw/zinc/38/50/17/1043385017.db2.gz YZGKDOFNQLNTRO-KMFMINBZSA-N 2 2 348.487 4.001 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428229725 1043393028 /nfs/dbraw/zinc/39/30/28/1043393028.db2.gz FUZIMCOEMCGPQW-WMZOPIPTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428229725 1043393034 /nfs/dbraw/zinc/39/30/34/1043393034.db2.gz FUZIMCOEMCGPQW-WMZOPIPTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428229725 1043393036 /nfs/dbraw/zinc/39/30/36/1043393036.db2.gz FUZIMCOEMCGPQW-WMZOPIPTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428229725 1043393044 /nfs/dbraw/zinc/39/30/44/1043393044.db2.gz FUZIMCOEMCGPQW-WMZOPIPTSA-N 2 2 333.520 4.022 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979919 1043411546 /nfs/dbraw/zinc/41/15/46/1043411546.db2.gz PLQUUCDCCXJPBE-PKOBYXMFSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979919 1043411549 /nfs/dbraw/zinc/41/15/49/1043411549.db2.gz PLQUUCDCCXJPBE-PKOBYXMFSA-N 2 2 346.540 4.417 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000520952017 1043456402 /nfs/dbraw/zinc/45/64/02/1043456402.db2.gz BQVUDKLVAYUCHI-KNTRCKAVSA-N 2 2 331.463 4.167 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007075 1043491849 /nfs/dbraw/zinc/49/18/49/1043491849.db2.gz IXHSJDLBORGDFW-UTKZUKDTSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007075 1043491864 /nfs/dbraw/zinc/49/18/64/1043491864.db2.gz IXHSJDLBORGDFW-UTKZUKDTSA-N 2 2 344.474 4.186 20 0 EIADLP Clc1ccccc1-c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000494469612 1043502958 /nfs/dbraw/zinc/50/29/58/1043502958.db2.gz UCSAQRKFUKWWHN-ZDUSSCGKSA-N 2 2 343.883 4.370 20 0 EIADLP Cn1cc[nH+]c1C[C@@H](Nc1cc[nH+]c2ccsc21)c1ccccc1 ZINC000078558861 1043681919 /nfs/dbraw/zinc/68/19/19/1043681919.db2.gz FNBOVXADBSWSPL-QGZVFWFLSA-N 2 2 334.448 4.426 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061676 1043703644 /nfs/dbraw/zinc/70/36/44/1043703644.db2.gz MGQJTQTZNRJOIL-OAHLLOKOSA-N 2 2 333.426 4.415 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000521318442 1043708739 /nfs/dbraw/zinc/70/87/39/1043708739.db2.gz ZRXHJFNPBDQXDO-OFNKIYASSA-N 2 2 345.490 4.432 20 0 EIADLP Fc1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2CC2)cc1 ZINC000544347190 1043712457 /nfs/dbraw/zinc/71/24/57/1043712457.db2.gz LAIQFACOYQLOGD-UHFFFAOYSA-N 2 2 341.455 4.485 20 0 EIADLP Fc1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2CC2)cc1 ZINC000544347190 1043712468 /nfs/dbraw/zinc/71/24/68/1043712468.db2.gz LAIQFACOYQLOGD-UHFFFAOYSA-N 2 2 341.455 4.485 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000428254400 1043738722 /nfs/dbraw/zinc/73/87/22/1043738722.db2.gz UTWDIYHIDUPZIW-GOSISDBHSA-N 2 2 333.520 4.194 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000428254400 1043738744 /nfs/dbraw/zinc/73/87/44/1043738744.db2.gz UTWDIYHIDUPZIW-GOSISDBHSA-N 2 2 333.520 4.194 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000731677390 1043814762 /nfs/dbraw/zinc/81/47/62/1043814762.db2.gz ORTLJDHTININAO-UHFFFAOYSA-N 2 2 347.462 4.266 20 0 EIADLP CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000442891039 1043885746 /nfs/dbraw/zinc/88/57/46/1043885746.db2.gz LFVOHVLJDKFHKX-UHFFFAOYSA-N 2 2 330.435 4.376 20 0 EIADLP CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000442891039 1043885749 /nfs/dbraw/zinc/88/57/49/1043885749.db2.gz LFVOHVLJDKFHKX-UHFFFAOYSA-N 2 2 330.435 4.376 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000542494351 1043942508 /nfs/dbraw/zinc/94/25/08/1043942508.db2.gz LXLQVWGNTUTHEF-WIYYLYMNSA-N 2 2 326.484 4.327 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000542494351 1043942520 /nfs/dbraw/zinc/94/25/20/1043942520.db2.gz LXLQVWGNTUTHEF-WIYYLYMNSA-N 2 2 326.484 4.327 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1C)CCC2 ZINC000443010092 1043968191 /nfs/dbraw/zinc/96/81/91/1043968191.db2.gz ALKSZADLZCDEDD-HNNXBMFYSA-N 2 2 337.389 4.186 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000153168410 1043975036 /nfs/dbraw/zinc/97/50/36/1043975036.db2.gz PKBBPALQFSHBJP-HXUWFJFHSA-N 2 2 347.462 4.438 20 0 EIADLP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc21 ZINC000657412416 1044016229 /nfs/dbraw/zinc/01/62/29/1044016229.db2.gz KCNUHXRQDFRYMZ-KRWDZBQOSA-N 2 2 348.494 4.187 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000521944805 1044097877 /nfs/dbraw/zinc/09/78/77/1044097877.db2.gz QHHISVNVKOKLTE-GFCCVEGCSA-N 2 2 335.904 4.211 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000348008057 1044361064 /nfs/dbraw/zinc/36/10/64/1044361064.db2.gz OESZMOOTNXPZQK-UZLBHIALSA-N 3 2 342.531 4.198 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)cc1 ZINC000282695367 1044381061 /nfs/dbraw/zinc/38/10/61/1044381061.db2.gz KPEYEWMLYYFWTP-AWEZNQCLSA-N 2 2 340.858 4.388 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)CCC2 ZINC000348085159 1044390216 /nfs/dbraw/zinc/39/02/16/1044390216.db2.gz MISDYHRFXKOIAV-ZFWWWQNUSA-N 2 2 348.288 4.182 20 0 EIADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739660 1044455477 /nfs/dbraw/zinc/45/54/77/1044455477.db2.gz PXAFDAWBMPIHNX-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000494915350 1044497150 /nfs/dbraw/zinc/49/71/50/1044497150.db2.gz OBZPEUUZIRMLJI-INIZCTEOSA-N 2 2 331.872 4.172 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000675918210 1044560771 /nfs/dbraw/zinc/56/07/71/1044560771.db2.gz FHFYBBNPHSAOSE-AUUYWEPGSA-N 2 2 341.405 4.333 20 0 EIADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923544 1044563608 /nfs/dbraw/zinc/56/36/08/1044563608.db2.gz SRROLOHWWASWTQ-RTWAWAEBSA-N 2 2 333.479 4.315 20 0 EIADLP C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428870247 1044784481 /nfs/dbraw/zinc/78/44/81/1044784481.db2.gz GNWRRVHCIHITBT-ZIAGYGMSSA-N 2 2 347.503 4.178 20 0 EIADLP C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428870247 1044784492 /nfs/dbraw/zinc/78/44/92/1044784492.db2.gz GNWRRVHCIHITBT-ZIAGYGMSSA-N 2 2 347.503 4.178 20 0 EIADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1OC ZINC000922620365 1044847755 /nfs/dbraw/zinc/84/77/55/1044847755.db2.gz AHCQTEYVJWAOID-KRWDZBQOSA-N 2 2 345.443 4.322 20 0 EIADLP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)c2ccccc12 ZINC000922629874 1044855371 /nfs/dbraw/zinc/85/53/71/1044855371.db2.gz ANYWKYXKDBEHIZ-OAQYLSRUSA-N 2 2 349.478 4.026 20 0 EIADLP FC1(F)[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000922775270 1044936705 /nfs/dbraw/zinc/93/67/05/1044936705.db2.gz NKJZCAWSOPXRKK-OALUTQOASA-N 2 2 339.389 4.011 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000237465009 1045386381 /nfs/dbraw/zinc/38/63/81/1045386381.db2.gz AFCHLZTVEBAYHW-DYESRHJHSA-N 2 2 338.495 4.466 20 0 EIADLP Cc1ccc(COc2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc2)cc1 ZINC000237576159 1045389833 /nfs/dbraw/zinc/38/98/33/1045389833.db2.gz MNZKYJZOHNKIKW-LJQANCHMSA-N 2 2 349.478 4.196 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCO2 ZINC000768099979 1045714511 /nfs/dbraw/zinc/71/45/11/1045714511.db2.gz YCORDCFMQGKYIG-OAQYLSRUSA-N 2 2 347.462 4.438 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603580 1045827335 /nfs/dbraw/zinc/82/73/35/1045827335.db2.gz GHABZJHSJTUFDJ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603580 1045827338 /nfs/dbraw/zinc/82/73/38/1045827338.db2.gz GHABZJHSJTUFDJ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603580 1045827341 /nfs/dbraw/zinc/82/73/41/1045827341.db2.gz GHABZJHSJTUFDJ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603580 1045827345 /nfs/dbraw/zinc/82/73/45/1045827345.db2.gz GHABZJHSJTUFDJ-HNAYVOBHSA-N 2 2 343.540 4.245 20 0 EIADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028688 1045838606 /nfs/dbraw/zinc/83/86/06/1045838606.db2.gz QQSJPQNSVJVFCM-KAGYGMCKSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028688 1045838608 /nfs/dbraw/zinc/83/86/08/1045838608.db2.gz QQSJPQNSVJVFCM-KAGYGMCKSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247028688 1045838615 /nfs/dbraw/zinc/83/86/15/1045838615.db2.gz QQSJPQNSVJVFCM-KAGYGMCKSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247028688 1045838617 /nfs/dbraw/zinc/83/86/17/1045838617.db2.gz QQSJPQNSVJVFCM-KAGYGMCKSA-N 2 2 335.495 4.129 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247933265 1045859176 /nfs/dbraw/zinc/85/91/76/1045859176.db2.gz CFMYYBHVZCJEDR-JTDSTZFVSA-N 2 2 343.540 4.267 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247933265 1045859177 /nfs/dbraw/zinc/85/91/77/1045859177.db2.gz CFMYYBHVZCJEDR-JTDSTZFVSA-N 2 2 343.540 4.267 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000248838732 1045884985 /nfs/dbraw/zinc/88/49/85/1045884985.db2.gz NJPCGHWSXDQRGS-HNAYVOBHSA-N 2 2 345.437 4.019 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000248838732 1045884989 /nfs/dbraw/zinc/88/49/89/1045884989.db2.gz NJPCGHWSXDQRGS-HNAYVOBHSA-N 2 2 345.437 4.019 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170290600 1045993966 /nfs/dbraw/zinc/99/39/66/1045993966.db2.gz DHLFLABGLULSHA-DOTOQJQBSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170290600 1045993976 /nfs/dbraw/zinc/99/39/76/1045993976.db2.gz DHLFLABGLULSHA-DOTOQJQBSA-N 2 2 330.859 4.128 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000161593869 1046020215 /nfs/dbraw/zinc/02/02/15/1046020215.db2.gz GGSKSUSHTSLBMJ-CQSZACIVSA-N 2 2 326.431 4.121 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000793526114 1046265018 /nfs/dbraw/zinc/26/50/18/1046265018.db2.gz XCSCTHUNBQQTRO-YGWPLHOASA-N 2 2 341.499 4.088 20 0 EIADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000508682423 1046316817 /nfs/dbraw/zinc/31/68/17/1046316817.db2.gz YCCAIVXCLMRFIB-SFHVURJKSA-N 2 2 349.478 4.443 20 0 EIADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000508682423 1046316836 /nfs/dbraw/zinc/31/68/36/1046316836.db2.gz YCCAIVXCLMRFIB-SFHVURJKSA-N 2 2 349.478 4.443 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000459418308 1046641593 /nfs/dbraw/zinc/64/15/93/1046641593.db2.gz ZSJDYKPRIAUGMC-QGZVFWFLSA-N 2 2 337.389 4.209 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643279 1046736410 /nfs/dbraw/zinc/73/64/10/1046736410.db2.gz FTIFXURXPROHPN-KPFFTGBYSA-N 2 2 338.520 4.476 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643279 1046736423 /nfs/dbraw/zinc/73/64/23/1046736423.db2.gz FTIFXURXPROHPN-KPFFTGBYSA-N 2 2 338.520 4.476 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CCCC(C)C)CC2)c1 ZINC001170063863 1046866278 /nfs/dbraw/zinc/86/62/78/1046866278.db2.gz IFBCUYVWTVOLHW-GOSISDBHSA-N 2 2 332.532 4.464 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000536962112 1046870406 /nfs/dbraw/zinc/87/04/06/1046870406.db2.gz AXWBUKLKNZPSDP-JOCHJYFZSA-N 2 2 349.453 4.354 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(-c2ccccc2)no1 ZINC000925305345 1046879481 /nfs/dbraw/zinc/87/94/81/1046879481.db2.gz BTYNSVYWYVCOGS-OAHLLOKOSA-N 2 2 327.472 4.255 20 0 EIADLP Cc1[nH]c(CS[C@H](C)[C@@H](C)SCc2[nH]c(C)[nH+]c2C)c(C)[nH+]1 ZINC000917537137 1046945129 /nfs/dbraw/zinc/94/51/29/1046945129.db2.gz YKORBXWDUDDMBA-VXGBXAGGSA-N 2 2 338.546 4.310 20 0 EIADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000537297111 1047077606 /nfs/dbraw/zinc/07/76/06/1047077606.db2.gz OWUPBEDYEURLNM-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057308 1047872323 /nfs/dbraw/zinc/87/23/23/1047872323.db2.gz AMJJTDVBMCOCEY-DLBZAZTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057308 1047872325 /nfs/dbraw/zinc/87/23/25/1047872325.db2.gz AMJJTDVBMCOCEY-DLBZAZTESA-N 2 2 342.870 4.054 20 0 EIADLP Clc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)[C@H](c1ccccc1)C2 ZINC000499052334 1048106590 /nfs/dbraw/zinc/10/65/90/1048106590.db2.gz BKUYEPLUXQYYNQ-FQEVSTJZSA-N 2 2 337.854 4.336 20 0 EIADLP Clc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)[C@H](c1ccccc1)C2 ZINC000499052334 1048106597 /nfs/dbraw/zinc/10/65/97/1048106597.db2.gz BKUYEPLUXQYYNQ-FQEVSTJZSA-N 2 2 337.854 4.336 20 0 EIADLP CCOc1ccccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132271381 1048244929 /nfs/dbraw/zinc/24/49/29/1048244929.db2.gz KHCYJUBTPNDYAX-GOSISDBHSA-N 2 2 349.478 4.223 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132294166 1048251271 /nfs/dbraw/zinc/25/12/71/1048251271.db2.gz OIXRHDVWDLGOFP-AOMKIAJQSA-N 2 2 349.453 4.136 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000809739035 1048510369 /nfs/dbraw/zinc/51/03/69/1048510369.db2.gz UWYPSVYZWMOSQD-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000809739035 1048510384 /nfs/dbraw/zinc/51/03/84/1048510384.db2.gz UWYPSVYZWMOSQD-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1SC(C)(C)C ZINC000815618120 1048543783 /nfs/dbraw/zinc/54/37/83/1048543783.db2.gz FLTYPUXUTXMKPY-LSDHHAIUSA-N 2 2 329.513 4.439 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000815631418 1048553456 /nfs/dbraw/zinc/55/34/56/1048553456.db2.gz CUGMWOISLFWIEJ-DSKINZAPSA-N 2 2 332.532 4.037 20 0 EIADLP C[NH+](C)[C@@H](CNc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1Cl ZINC001170590497 1048581351 /nfs/dbraw/zinc/58/13/51/1048581351.db2.gz VCEYWUNFXGZOMQ-INIZCTEOSA-N 2 2 349.265 4.356 20 0 EIADLP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001144490228 1048697350 /nfs/dbraw/zinc/69/73/50/1048697350.db2.gz XIQOETCIWYBVQG-ROUUACIJSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001144490228 1048697353 /nfs/dbraw/zinc/69/73/53/1048697353.db2.gz XIQOETCIWYBVQG-ROUUACIJSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001144490228 1048697362 /nfs/dbraw/zinc/69/73/62/1048697362.db2.gz XIQOETCIWYBVQG-ROUUACIJSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001144490228 1048697366 /nfs/dbraw/zinc/69/73/66/1048697366.db2.gz XIQOETCIWYBVQG-ROUUACIJSA-N 2 2 336.907 4.187 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144690222 1048809214 /nfs/dbraw/zinc/80/92/14/1048809214.db2.gz FSTJCQYWKMAVHR-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144690222 1048809217 /nfs/dbraw/zinc/80/92/17/1048809217.db2.gz FSTJCQYWKMAVHR-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2scnc2c1 ZINC001144744013 1048848806 /nfs/dbraw/zinc/84/88/06/1048848806.db2.gz GEOWEPFPIFRTBU-UHFFFAOYSA-N 2 2 334.448 4.114 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2scnc2c1 ZINC001144744013 1048848807 /nfs/dbraw/zinc/84/88/07/1048848807.db2.gz GEOWEPFPIFRTBU-UHFFFAOYSA-N 2 2 334.448 4.114 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000772949822 1048889155 /nfs/dbraw/zinc/88/91/55/1048889155.db2.gz VHWGQSZUHUGBSU-OAHLLOKOSA-N 2 2 343.298 4.279 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584109 1049014661 /nfs/dbraw/zinc/01/46/61/1049014661.db2.gz RTBTYZYVVCOAGC-OXQOHEQNSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584109 1049014676 /nfs/dbraw/zinc/01/46/76/1049014676.db2.gz RTBTYZYVVCOAGC-OXQOHEQNSA-N 2 2 343.902 4.298 20 0 EIADLP Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001170898933 1049128098 /nfs/dbraw/zinc/12/80/98/1049128098.db2.gz ZMHNCNVZVOQQTR-KRWDZBQOSA-N 2 2 337.854 4.173 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000136392244 1049400632 /nfs/dbraw/zinc/40/06/32/1049400632.db2.gz JPWILMGRJLKFDQ-KRWDZBQOSA-N 2 2 335.904 4.025 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000136392244 1049400635 /nfs/dbraw/zinc/40/06/35/1049400635.db2.gz JPWILMGRJLKFDQ-KRWDZBQOSA-N 2 2 335.904 4.025 20 0 EIADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812826567 1049586978 /nfs/dbraw/zinc/58/69/78/1049586978.db2.gz QODIHJUIWXSXIJ-ROUUACIJSA-N 2 2 329.532 4.137 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCc3cccs3)CC2)cc1 ZINC000812842857 1049605544 /nfs/dbraw/zinc/60/55/44/1049605544.db2.gz XABNQOOPIBHQSN-UHFFFAOYSA-N 2 2 343.540 4.005 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1(C)C ZINC001171630038 1049762222 /nfs/dbraw/zinc/76/22/22/1049762222.db2.gz FUQYPEHTUYDHJY-INIZCTEOSA-N 2 2 335.923 4.427 20 0 EIADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1(C)C ZINC001171641036 1049779654 /nfs/dbraw/zinc/77/96/54/1049779654.db2.gz AWWIAUOSNLYRIH-OAQYLSRUSA-N 2 2 348.506 4.025 20 0 EIADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1(C)C ZINC001171641036 1049779660 /nfs/dbraw/zinc/77/96/60/1049779660.db2.gz AWWIAUOSNLYRIH-OAQYLSRUSA-N 2 2 348.506 4.025 20 0 EIADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1(C)C ZINC001171641035 1049780025 /nfs/dbraw/zinc/78/00/25/1049780025.db2.gz AWWIAUOSNLYRIH-NRFANRHFSA-N 2 2 348.506 4.025 20 0 EIADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1(C)C ZINC001171641035 1049780028 /nfs/dbraw/zinc/78/00/28/1049780028.db2.gz AWWIAUOSNLYRIH-NRFANRHFSA-N 2 2 348.506 4.025 20 0 EIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000324813082 1049804539 /nfs/dbraw/zinc/80/45/39/1049804539.db2.gz DLIDRYROJQUBOQ-BBRMVZONSA-N 2 2 337.414 4.250 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001171962145 1049825323 /nfs/dbraw/zinc/82/53/23/1049825323.db2.gz CQBHMXQKRHMHQO-ZDUSSCGKSA-N 2 2 333.357 4.074 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001171963676 1049825338 /nfs/dbraw/zinc/82/53/38/1049825338.db2.gz JSJFWNGSODFEMQ-LIRRHRJNSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001171963676 1049825341 /nfs/dbraw/zinc/82/53/41/1049825341.db2.gz JSJFWNGSODFEMQ-LIRRHRJNSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001171963667 1049825412 /nfs/dbraw/zinc/82/54/12/1049825412.db2.gz JSJFWNGSODFEMQ-AUUYWEPGSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001171963667 1049825413 /nfs/dbraw/zinc/82/54/13/1049825413.db2.gz JSJFWNGSODFEMQ-AUUYWEPGSA-N 2 2 348.412 4.022 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]COc2ccccc2)C3)cc1 ZINC001172076312 1049844100 /nfs/dbraw/zinc/84/41/00/1049844100.db2.gz HVUBCAVHPGZCLT-MZADTFQBSA-N 2 2 336.479 4.198 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]COc2ccccc2)C3)cc1 ZINC001172076312 1049844101 /nfs/dbraw/zinc/84/41/01/1049844101.db2.gz HVUBCAVHPGZCLT-MZADTFQBSA-N 2 2 336.479 4.198 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075071 1049844561 /nfs/dbraw/zinc/84/45/61/1049844561.db2.gz ZKHNPCSVNCLSAL-WJMWBRGCSA-N 2 2 342.527 4.310 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075071 1049844563 /nfs/dbraw/zinc/84/45/63/1049844563.db2.gz ZKHNPCSVNCLSAL-WJMWBRGCSA-N 2 2 342.527 4.310 20 0 EIADLP C[C@]1(F)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1F ZINC001172069950 1049853897 /nfs/dbraw/zinc/85/38/97/1049853897.db2.gz WEWPZKPHEHJIPN-IFLJBQAJSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1F ZINC001172069950 1049853899 /nfs/dbraw/zinc/85/38/99/1049853899.db2.gz WEWPZKPHEHJIPN-IFLJBQAJSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1F ZINC001172069950 1049853904 /nfs/dbraw/zinc/85/39/04/1049853904.db2.gz WEWPZKPHEHJIPN-IFLJBQAJSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1F ZINC001172069950 1049853906 /nfs/dbraw/zinc/85/39/06/1049853906.db2.gz WEWPZKPHEHJIPN-IFLJBQAJSA-N 2 2 348.481 4.344 20 0 EIADLP c1ccc(C[NH+]2CC(C[NH2+][C@H]3CCC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001172538940 1049943580 /nfs/dbraw/zinc/94/35/80/1049943580.db2.gz XGMIWRQOJBJHTK-PKTZIBPZSA-N 2 2 334.507 4.434 20 0 EIADLP Cc1[nH+]cn([C@@H]2CCC[C@@H](c3ccccc3)C2)c1CSCC[NH3+] ZINC001172542850 1049945372 /nfs/dbraw/zinc/94/53/72/1049945372.db2.gz KGTHTRWFGDGAGP-QZTJIDSGSA-N 2 2 329.513 4.282 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000246451768 1049975615 /nfs/dbraw/zinc/97/56/15/1049975615.db2.gz PFTKNSDQNALLFB-FXAWDEMLSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000246451768 1049975619 /nfs/dbraw/zinc/97/56/19/1049975619.db2.gz PFTKNSDQNALLFB-FXAWDEMLSA-N 2 2 329.532 4.098 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246547253 1049984869 /nfs/dbraw/zinc/98/48/69/1049984869.db2.gz WHFRBBYBBHCZOH-NEYJZJCJSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@H](c1cccc(O)c1)[NH+](C)CCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000246953698 1050008262 /nfs/dbraw/zinc/00/82/62/1050008262.db2.gz KGOPSKKHCIHPEQ-IAGOWNOFSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@H](c1cccc(O)c1)[NH+](C)CCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000246953698 1050008269 /nfs/dbraw/zinc/00/82/69/1050008269.db2.gz KGOPSKKHCIHPEQ-IAGOWNOFSA-N 2 2 342.483 4.174 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000248759274 1050077472 /nfs/dbraw/zinc/07/74/72/1050077472.db2.gz VUGIKXOHIXCTIJ-GHTZIAJQSA-N 2 2 327.516 4.162 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000248759274 1050077479 /nfs/dbraw/zinc/07/74/79/1050077479.db2.gz VUGIKXOHIXCTIJ-GHTZIAJQSA-N 2 2 327.516 4.162 20 0 EIADLP Cc1[nH+]cn(C2CCC(Cc3ccccc3)CC2)c1CSCC[NH3+] ZINC001172818383 1050161795 /nfs/dbraw/zinc/16/17/95/1050161795.db2.gz KXLHWOSTHLLSLS-UHFFFAOYSA-N 2 2 343.540 4.357 20 0 EIADLP Cc1cc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(C2CC2)[nH+]1 ZINC001186203867 1050259043 /nfs/dbraw/zinc/25/90/43/1050259043.db2.gz VIHJURXGBSIAGC-IBGZPJMESA-N 2 2 338.499 4.231 20 0 EIADLP Cc1cc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(C2CC2)[nH+]1 ZINC001186203867 1050259052 /nfs/dbraw/zinc/25/90/52/1050259052.db2.gz VIHJURXGBSIAGC-IBGZPJMESA-N 2 2 338.499 4.231 20 0 EIADLP C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(Cn4cc[nH+]c4)cc3)cccc21 ZINC001212699275 1050260459 /nfs/dbraw/zinc/26/04/59/1050260459.db2.gz XIVBRIVYGSKSCQ-HXUWFJFHSA-N 2 2 348.450 4.060 20 0 EIADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121135 1050316929 /nfs/dbraw/zinc/31/69/29/1050316929.db2.gz MUDTVZXYXAJEIZ-IOMROCGXSA-N 2 2 349.503 4.031 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001173550616 1050488965 /nfs/dbraw/zinc/48/89/65/1050488965.db2.gz MOOAYVKFXGNDMB-CYBMUJFWSA-N 2 2 327.299 4.095 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001173550616 1050488970 /nfs/dbraw/zinc/48/89/70/1050488970.db2.gz MOOAYVKFXGNDMB-CYBMUJFWSA-N 2 2 327.299 4.095 20 0 EIADLP CC(C)(C[NH2+]Cc1ccc(F)c(Cl)c1Cl)C[NH+]1CCCC1 ZINC001178613877 1050517769 /nfs/dbraw/zinc/51/77/69/1050517769.db2.gz CHAWSFRSRVTBHP-UHFFFAOYSA-N 2 2 333.278 4.344 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CC1(C)C ZINC001178959107 1050596738 /nfs/dbraw/zinc/59/67/38/1050596738.db2.gz VHAATTUFAKBFAK-GFCCVEGCSA-N 2 2 345.712 4.065 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CC1(C)C ZINC001178959107 1050596750 /nfs/dbraw/zinc/59/67/50/1050596750.db2.gz VHAATTUFAKBFAK-GFCCVEGCSA-N 2 2 345.712 4.065 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647377 /nfs/dbraw/zinc/64/73/77/1050647377.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647386 /nfs/dbraw/zinc/64/73/86/1050647386.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647394 /nfs/dbraw/zinc/64/73/94/1050647394.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647402 /nfs/dbraw/zinc/64/74/02/1050647402.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 2 2 335.542 4.034 20 0 EIADLP Fc1cccc2cc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)cnc12 ZINC001179437293 1050691068 /nfs/dbraw/zinc/69/10/68/1050691068.db2.gz DGDONLNSLZOJNZ-HXUWFJFHSA-N 2 2 346.409 4.102 20 0 EIADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438573 1050693804 /nfs/dbraw/zinc/69/38/04/1050693804.db2.gz XAKFRSDNCXGUGV-UGKGYDQZSA-N 2 2 333.479 4.483 20 0 EIADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(C)c1 ZINC001179497803 1050710612 /nfs/dbraw/zinc/71/06/12/1050710612.db2.gz PJJRAJIMRWCXFP-UHFFFAOYSA-N 2 2 336.483 4.299 20 0 EIADLP Cc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)n(-c2cc[nH+]cc2)n1 ZINC001174382439 1050945401 /nfs/dbraw/zinc/94/54/01/1050945401.db2.gz PTUKBWDGXBWBFP-UHFFFAOYSA-N 2 2 332.411 4.250 20 0 EIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070799 1051360468 /nfs/dbraw/zinc/36/04/68/1051360468.db2.gz YDCUZWZFIGSTLY-RRQGHBQHSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070799 1051360480 /nfs/dbraw/zinc/36/04/80/1051360480.db2.gz YDCUZWZFIGSTLY-RRQGHBQHSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070799 1051360490 /nfs/dbraw/zinc/36/04/90/1051360490.db2.gz YDCUZWZFIGSTLY-RRQGHBQHSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070799 1051360501 /nfs/dbraw/zinc/36/05/01/1051360501.db2.gz YDCUZWZFIGSTLY-RRQGHBQHSA-N 2 2 326.406 4.040 20 0 EIADLP c1cn(Cc2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2)c[nH+]1 ZINC001175505448 1051637122 /nfs/dbraw/zinc/63/71/22/1051637122.db2.gz CFNLXZWORHRWCI-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP c1cn(Cc2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2)c[nH+]1 ZINC001175505448 1051637132 /nfs/dbraw/zinc/63/71/32/1051637132.db2.gz CFNLXZWORHRWCI-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000621261958 1051793120 /nfs/dbraw/zinc/79/31/20/1051793120.db2.gz JXARCEIFKMHOMN-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000621261958 1051793133 /nfs/dbraw/zinc/79/31/33/1051793133.db2.gz JXARCEIFKMHOMN-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261958 1051793147 /nfs/dbraw/zinc/79/31/47/1051793147.db2.gz JXARCEIFKMHOMN-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261958 1051793162 /nfs/dbraw/zinc/79/31/62/1051793162.db2.gz JXARCEIFKMHOMN-JXFKEZNVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001183379457 1051839386 /nfs/dbraw/zinc/83/93/86/1051839386.db2.gz NSBKQCCVYKKEFG-UGKGYDQZSA-N 2 2 337.511 4.047 20 0 EIADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001183379457 1051839393 /nfs/dbraw/zinc/83/93/93/1051839393.db2.gz NSBKQCCVYKKEFG-UGKGYDQZSA-N 2 2 337.511 4.047 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)[C@@H]1C ZINC001183525834 1051852143 /nfs/dbraw/zinc/85/21/43/1051852143.db2.gz HTLKSDJYPSZPOH-DGQTTZFYSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)[C@@H]1C ZINC001183525834 1051852145 /nfs/dbraw/zinc/85/21/45/1051852145.db2.gz HTLKSDJYPSZPOH-DGQTTZFYSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)s1 ZINC000163799939 1052005553 /nfs/dbraw/zinc/00/55/53/1052005553.db2.gz VEOVWJRMFKUTDL-NSHDSACASA-N 2 2 340.290 4.058 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2cccc(F)c2)CC1 ZINC001203789465 1052085718 /nfs/dbraw/zinc/08/57/18/1052085718.db2.gz ZIXZBPSSNHDGAC-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(F)c2)CC1 ZINC001203789465 1052085736 /nfs/dbraw/zinc/08/57/36/1052085736.db2.gz ZIXZBPSSNHDGAC-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901233 1052578955 /nfs/dbraw/zinc/57/89/55/1052578955.db2.gz BQIMYHNSESOXKX-FCHUYYIVSA-N 2 2 338.495 4.018 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901233 1052578963 /nfs/dbraw/zinc/57/89/63/1052578963.db2.gz BQIMYHNSESOXKX-FCHUYYIVSA-N 2 2 338.495 4.018 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901235 1052579484 /nfs/dbraw/zinc/57/94/84/1052579484.db2.gz BQIMYHNSESOXKX-FGZHOGPDSA-N 2 2 338.495 4.018 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901235 1052579487 /nfs/dbraw/zinc/57/94/87/1052579487.db2.gz BQIMYHNSESOXKX-FGZHOGPDSA-N 2 2 338.495 4.018 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524425 1052671871 /nfs/dbraw/zinc/67/18/71/1052671871.db2.gz SMNNQWURSWOCOW-YPMHNXCESA-N 2 2 343.284 4.112 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524425 1052671876 /nfs/dbraw/zinc/67/18/76/1052671876.db2.gz SMNNQWURSWOCOW-YPMHNXCESA-N 2 2 343.284 4.112 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932939 1052694051 /nfs/dbraw/zinc/69/40/51/1052694051.db2.gz FYPCCYAEKTXVSG-ZHRRBRCNSA-N 2 2 349.453 4.484 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623729303 1052732298 /nfs/dbraw/zinc/73/22/98/1052732298.db2.gz XRCRTGUVACXNQV-LJQANCHMSA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623729303 1052732302 /nfs/dbraw/zinc/73/23/02/1052732302.db2.gz XRCRTGUVACXNQV-LJQANCHMSA-N 2 2 341.524 4.225 20 0 EIADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623879345 1052828488 /nfs/dbraw/zinc/82/84/88/1052828488.db2.gz DQKIQXHFZULWFK-ROUUACIJSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623879345 1052828492 /nfs/dbraw/zinc/82/84/92/1052828492.db2.gz DQKIQXHFZULWFK-ROUUACIJSA-N 2 2 341.524 4.022 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)sc1C ZINC000624015129 1052853744 /nfs/dbraw/zinc/85/37/44/1052853744.db2.gz PDXSZQPEIXTZSR-PKOBYXMFSA-N 2 2 336.545 4.049 20 0 EIADLP Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000624113866 1052866496 /nfs/dbraw/zinc/86/64/96/1052866496.db2.gz OGBSZOPWAVIEDT-QGZVFWFLSA-N 2 2 334.467 4.204 20 0 EIADLP CC(C)CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000764505146 1053136316 /nfs/dbraw/zinc/13/63/16/1053136316.db2.gz VRWPRYPQUVVHFQ-TZIWHRDSSA-N 2 2 331.548 4.488 20 0 EIADLP CC(C)CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000764505146 1053136347 /nfs/dbraw/zinc/13/63/47/1053136347.db2.gz VRWPRYPQUVVHFQ-TZIWHRDSSA-N 2 2 331.548 4.488 20 0 EIADLP CC(C)[PH+](CCNC(=O)c1cccc(-c2c[nH+]cn2C)c1)C(C)C ZINC001194927082 1053179155 /nfs/dbraw/zinc/17/91/55/1053179155.db2.gz GZKYXPHHRJVJHB-UHFFFAOYSA-N 2 2 345.427 4.116 20 0 EIADLP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@H+](C)CC(F)F)CC1 ZINC000765043029 1053428162 /nfs/dbraw/zinc/42/81/62/1053428162.db2.gz KGKBNFGXOBZODT-UHFFFAOYSA-N 2 2 333.426 4.017 20 0 EIADLP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000765043029 1053428169 /nfs/dbraw/zinc/42/81/69/1053428169.db2.gz KGKBNFGXOBZODT-UHFFFAOYSA-N 2 2 333.426 4.017 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1SC ZINC000765252025 1053476065 /nfs/dbraw/zinc/47/60/65/1053476065.db2.gz PGWAWOIJEBRQDZ-KSSFIOAISA-N 2 2 347.528 4.379 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450297 1053549707 /nfs/dbraw/zinc/54/97/07/1053549707.db2.gz QBVKRBVEQHQJQO-FUHWJXTLSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450297 1053549723 /nfs/dbraw/zinc/54/97/23/1053549723.db2.gz QBVKRBVEQHQJQO-FUHWJXTLSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866239606 1053660771 /nfs/dbraw/zinc/66/07/71/1053660771.db2.gz VWJOGIFJRVMXBH-MLGOLLRUSA-N 2 2 346.862 4.443 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866247626 1053664599 /nfs/dbraw/zinc/66/45/99/1053664599.db2.gz WKHDURAIIBRNNK-TZIWHRDSSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866247626 1053664610 /nfs/dbraw/zinc/66/46/10/1053664610.db2.gz WKHDURAIIBRNNK-TZIWHRDSSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866247620 1053665563 /nfs/dbraw/zinc/66/55/63/1053665563.db2.gz WKHDURAIIBRNNK-CTNGQTDRSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866247620 1053665565 /nfs/dbraw/zinc/66/55/65/1053665565.db2.gz WKHDURAIIBRNNK-CTNGQTDRSA-N 2 2 342.458 4.088 20 0 EIADLP Fc1ccc(Cl)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000159968238 1053695767 /nfs/dbraw/zinc/69/57/67/1053695767.db2.gz WBRDJIQLURDQLV-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP C[C@H](c1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1)C(F)(F)F ZINC001197266290 1053864386 /nfs/dbraw/zinc/86/43/86/1053864386.db2.gz WNDSVWVXLOFKFF-OAHLLOKOSA-N 2 2 340.433 4.413 20 0 EIADLP COC1(C[C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC1 ZINC000429523516 1053954907 /nfs/dbraw/zinc/95/49/07/1053954907.db2.gz WOIJKCRPOGOZEK-ICSRJNTNSA-N 2 2 330.516 4.069 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790757 1054253421 /nfs/dbraw/zinc/25/34/21/1054253421.db2.gz NYKJWKAWXMZHRZ-SJORKVTESA-N 2 2 347.547 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001198790757 1054253444 /nfs/dbraw/zinc/25/34/44/1054253444.db2.gz NYKJWKAWXMZHRZ-SJORKVTESA-N 2 2 347.547 4.411 20 0 EIADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC001198901020 1054293727 /nfs/dbraw/zinc/29/37/27/1054293727.db2.gz OGUMCLBCHZDMQR-GOTSBHOMSA-N 2 2 334.507 4.361 20 0 EIADLP C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000872041540 1054355687 /nfs/dbraw/zinc/35/56/87/1054355687.db2.gz UBUMWQJWHKFPCO-VDZJLULYSA-N 2 2 327.472 4.117 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858104758 1054419182 /nfs/dbraw/zinc/41/91/82/1054419182.db2.gz WDLFWKCIIVRPEM-LBPRGKRZSA-N 2 2 331.407 4.168 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)cc1 ZINC000858271616 1054453835 /nfs/dbraw/zinc/45/38/35/1054453835.db2.gz IUXSBCMYVILWSL-GOSISDBHSA-N 2 2 327.516 4.057 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001199864417 1054480263 /nfs/dbraw/zinc/48/02/63/1054480263.db2.gz KEZVXSAAGKXNMT-GOSISDBHSA-N 2 2 343.540 4.268 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001199864417 1054480274 /nfs/dbraw/zinc/48/02/74/1054480274.db2.gz KEZVXSAAGKXNMT-GOSISDBHSA-N 2 2 343.540 4.268 20 0 EIADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001199822655 1054480775 /nfs/dbraw/zinc/48/07/75/1054480775.db2.gz JKDVGIUXBWMNQE-JOCHJYFZSA-N 2 2 336.523 4.489 20 0 EIADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001199822655 1054480780 /nfs/dbraw/zinc/48/07/80/1054480780.db2.gz JKDVGIUXBWMNQE-JOCHJYFZSA-N 2 2 336.523 4.489 20 0 EIADLP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463982 1054494352 /nfs/dbraw/zinc/49/43/52/1054494352.db2.gz GFEHWALYMOKAMK-FCHUYYIVSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463982 1054494365 /nfs/dbraw/zinc/49/43/65/1054494365.db2.gz GFEHWALYMOKAMK-FCHUYYIVSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463985 1054494631 /nfs/dbraw/zinc/49/46/31/1054494631.db2.gz GFEHWALYMOKAMK-YADHBBJMSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463985 1054494638 /nfs/dbraw/zinc/49/46/38/1054494638.db2.gz GFEHWALYMOKAMK-YADHBBJMSA-N 2 2 342.527 4.151 20 0 EIADLP C[NH+]1CCC([N@H+](CCCc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC001201671485 1054871661 /nfs/dbraw/zinc/87/16/61/1054871661.db2.gz IXKOBYOVICPIAJ-UHFFFAOYSA-N 2 2 340.486 4.355 20 0 EIADLP C[NH+]1CCC([N@@H+](CCCc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC001201671485 1054871665 /nfs/dbraw/zinc/87/16/65/1054871665.db2.gz IXKOBYOVICPIAJ-UHFFFAOYSA-N 2 2 340.486 4.355 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000876949129 1054986656 /nfs/dbraw/zinc/98/66/56/1054986656.db2.gz ZHVVKFHZDGWAMB-HKUYNNGSSA-N 2 2 341.886 4.193 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000876949129 1054986668 /nfs/dbraw/zinc/98/66/68/1054986668.db2.gz ZHVVKFHZDGWAMB-HKUYNNGSSA-N 2 2 341.886 4.193 20 0 EIADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2cccnc2)c1 ZINC000765865528 1056033516 /nfs/dbraw/zinc/03/35/16/1056033516.db2.gz FDVRMLLNVILYJQ-QFIPXVFZSA-N 2 2 337.511 4.250 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194981 1056237412 /nfs/dbraw/zinc/23/74/12/1056237412.db2.gz MFARGNZYEVXCSU-PBMMVSLJSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194981 1056237439 /nfs/dbraw/zinc/23/74/39/1056237439.db2.gz MFARGNZYEVXCSU-PBMMVSLJSA-N 2 2 332.454 4.350 20 0 EIADLP COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000742393487 1058593062 /nfs/dbraw/zinc/59/30/62/1058593062.db2.gz XNDFWSVTHSONSF-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323582 1059736811 /nfs/dbraw/zinc/73/68/11/1059736811.db2.gz DAYZJCSICDAMMV-UGSOOPFHSA-N 2 2 339.826 4.310 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379653160 1060142483 /nfs/dbraw/zinc/14/24/83/1060142483.db2.gz YYKBVMLTVVTKRZ-JRGCBEDISA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379653160 1060142509 /nfs/dbraw/zinc/14/25/09/1060142509.db2.gz YYKBVMLTVVTKRZ-JRGCBEDISA-N 2 2 335.495 4.102 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3Cl)CC1)C2 ZINC001169100687 1060637331 /nfs/dbraw/zinc/63/73/31/1060637331.db2.gz LIAZHBOWFFSMFR-BTTYYORXSA-N 2 2 325.283 4.197 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Cl)cc3Cl)CC1)C2 ZINC001169100687 1060637339 /nfs/dbraw/zinc/63/73/39/1060637339.db2.gz LIAZHBOWFFSMFR-BTTYYORXSA-N 2 2 325.283 4.197 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000022936744 212338082 /nfs/dbraw/zinc/33/80/82/212338082.db2.gz IFTSDTPCLNXHJY-OAQYLSRUSA-N 2 2 338.495 4.148 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000022936744 212338085 /nfs/dbraw/zinc/33/80/85/212338085.db2.gz IFTSDTPCLNXHJY-OAQYLSRUSA-N 2 2 338.495 4.148 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000245545489 1032299495 /nfs/dbraw/zinc/29/94/95/1032299495.db2.gz VNILZIOYGUUXGV-BRWVUGGUSA-N 2 2 343.540 4.472 20 0 EIADLP c1cn(-c2ccc(C[NH+]3CCC(OCC4CCCC4)CC3)cc2)c[nH+]1 ZINC000177478943 1032499756 /nfs/dbraw/zinc/49/97/56/1032499756.db2.gz GPUNIAQXHZPHNC-UHFFFAOYSA-N 2 2 339.483 4.044 20 0 EIADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000533149911 1032518822 /nfs/dbraw/zinc/51/88/22/1032518822.db2.gz XBVQOCNYIHEYLP-UHFFFAOYSA-N 2 2 343.298 4.109 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000666094151 1032524403 /nfs/dbraw/zinc/52/44/03/1032524403.db2.gz LBZISLGTYRLDBA-LAUBAEHRSA-N 2 2 349.478 4.372 20 0 EIADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000533200730 1032537474 /nfs/dbraw/zinc/53/74/74/1032537474.db2.gz GICIKWHGDZOKKV-LJQANCHMSA-N 2 2 327.472 4.290 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1F ZINC000180232398 1032601181 /nfs/dbraw/zinc/60/11/81/1032601181.db2.gz WMUDVRSYDVUHAM-GOSISDBHSA-N 2 2 327.378 4.391 20 0 EIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432740668 1032645956 /nfs/dbraw/zinc/64/59/56/1032645956.db2.gz BOHDGDTUFMUEAN-UHFFFAOYSA-N 2 2 344.311 4.243 20 0 EIADLP Cc1sccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000339315969 1018781263 /nfs/dbraw/zinc/78/12/63/1018781263.db2.gz MGSQRNODACCIAR-LJQANCHMSA-N 2 2 325.481 4.401 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000432787238 1032807432 /nfs/dbraw/zinc/80/74/32/1032807432.db2.gz FUQRQLCSEWMTAW-FQEVSTJZSA-N 2 2 326.459 4.409 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000432787238 1032807435 /nfs/dbraw/zinc/80/74/35/1032807435.db2.gz FUQRQLCSEWMTAW-FQEVSTJZSA-N 2 2 326.459 4.409 20 0 EIADLP Clc1ccccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203385198 1019140338 /nfs/dbraw/zinc/14/03/38/1019140338.db2.gz NDCZGJMCGIFICJ-AZUAARDMSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203385198 1019140347 /nfs/dbraw/zinc/14/03/47/1019140347.db2.gz NDCZGJMCGIFICJ-AZUAARDMSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203385198 1019140368 /nfs/dbraw/zinc/14/03/68/1019140368.db2.gz NDCZGJMCGIFICJ-AZUAARDMSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203385198 1019140392 /nfs/dbraw/zinc/14/03/92/1019140392.db2.gz NDCZGJMCGIFICJ-AZUAARDMSA-N 2 2 340.898 4.294 20 0 EIADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CCC2 ZINC000579837505 1019534387 /nfs/dbraw/zinc/53/43/87/1019534387.db2.gz GBFRPHWSFYGLOC-QFBILLFUSA-N 2 2 341.524 4.458 20 0 EIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000510215636 1020474774 /nfs/dbraw/zinc/47/47/74/1020474774.db2.gz UWXVWVRUCWVUMI-UHFFFAOYSA-N 2 2 345.512 4.180 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000398139016 1020495516 /nfs/dbraw/zinc/49/55/16/1020495516.db2.gz LVOLEEBYQLCHPR-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000398139016 1020495533 /nfs/dbraw/zinc/49/55/33/1020495533.db2.gz LVOLEEBYQLCHPR-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000398139019 1020497132 /nfs/dbraw/zinc/49/71/32/1020497132.db2.gz LVOLEEBYQLCHPR-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000398139019 1020497138 /nfs/dbraw/zinc/49/71/38/1020497138.db2.gz LVOLEEBYQLCHPR-YOEHRIQHSA-N 2 2 334.916 4.402 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000275598435 1020925642 /nfs/dbraw/zinc/92/56/42/1020925642.db2.gz KEJCRZOKWYDEOR-SJORKVTESA-N 2 2 337.389 4.142 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848073 1021012639 /nfs/dbraw/zinc/01/26/39/1021012639.db2.gz AQQRHNDPYQXHJP-HSQYWUDLSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848073 1021012656 /nfs/dbraw/zinc/01/26/56/1021012656.db2.gz AQQRHNDPYQXHJP-HSQYWUDLSA-N 2 2 335.495 4.416 20 0 EIADLP Fc1ccc(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)cc1 ZINC000340458185 1021052083 /nfs/dbraw/zinc/05/20/83/1021052083.db2.gz OZUHRUAHNXGQRH-UHFFFAOYSA-N 2 2 335.426 4.223 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478317 1021097934 /nfs/dbraw/zinc/09/79/34/1021097934.db2.gz IXEKSDIOGODYNL-CVEARBPZSA-N 2 2 327.447 4.097 20 0 EIADLP C[C@@H](CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706227 1021126057 /nfs/dbraw/zinc/12/60/57/1021126057.db2.gz FGURASSHTPKFGR-GHTZIAJQSA-N 2 2 333.479 4.487 20 0 EIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)c[nH+]1 ZINC000119231829 1021248163 /nfs/dbraw/zinc/24/81/63/1021248163.db2.gz GSOXUANHEOHHMV-UHFFFAOYSA-N 2 2 343.430 4.481 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000414062248 1021763455 /nfs/dbraw/zinc/76/34/55/1021763455.db2.gz CKJIJTWFYGXRRI-HNNXBMFYSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379633443 1021845549 /nfs/dbraw/zinc/84/55/49/1021845549.db2.gz UMIMIUMMIIVYDH-MGPUTAFESA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379633443 1021845550 /nfs/dbraw/zinc/84/55/50/1021845550.db2.gz UMIMIUMMIIVYDH-MGPUTAFESA-N 2 2 330.422 4.108 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414121695 1021881675 /nfs/dbraw/zinc/88/16/75/1021881675.db2.gz AAQSUXYKRKGUFH-BPQIPLTHSA-N 2 2 329.875 4.167 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010484 1021894779 /nfs/dbraw/zinc/89/47/79/1021894779.db2.gz CQSRADAHJHKFRQ-KXBFYZLASA-N 2 2 346.877 4.479 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010484 1021894781 /nfs/dbraw/zinc/89/47/81/1021894781.db2.gz CQSRADAHJHKFRQ-KXBFYZLASA-N 2 2 346.877 4.479 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000174513125 1022095259 /nfs/dbraw/zinc/09/52/59/1022095259.db2.gz IWOADXZDAYRVHA-KBPBESRZSA-N 2 2 341.480 4.129 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000174513125 1022095274 /nfs/dbraw/zinc/09/52/74/1022095274.db2.gz IWOADXZDAYRVHA-KBPBESRZSA-N 2 2 341.480 4.129 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000376350770 1022258947 /nfs/dbraw/zinc/25/89/47/1022258947.db2.gz IYRRHULLBCNWLM-LPHOPBHVSA-N 2 2 329.513 4.049 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000376350770 1022258975 /nfs/dbraw/zinc/25/89/75/1022258975.db2.gz IYRRHULLBCNWLM-LPHOPBHVSA-N 2 2 329.513 4.049 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C)CCC2 ZINC000378182860 1022477634 /nfs/dbraw/zinc/47/76/34/1022477634.db2.gz JUCKMVAGUSUSSS-PKOBYXMFSA-N 2 2 329.463 4.065 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011898 1022649115 /nfs/dbraw/zinc/64/91/15/1022649115.db2.gz DITQGLIDHBXSLG-YJBOKZPZSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011898 1022649129 /nfs/dbraw/zinc/64/91/29/1022649129.db2.gz DITQGLIDHBXSLG-YJBOKZPZSA-N 2 2 344.886 4.046 20 0 EIADLP Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000414343434 1022655865 /nfs/dbraw/zinc/65/58/65/1022655865.db2.gz AZUYZWWFKQZHAG-SFHVURJKSA-N 2 2 340.471 4.028 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000580981837 1022780464 /nfs/dbraw/zinc/78/04/64/1022780464.db2.gz NMKSAYPSLUNQDM-QFBILLFUSA-N 2 2 329.875 4.442 20 0 EIADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000182186592 1022781400 /nfs/dbraw/zinc/78/14/00/1022781400.db2.gz VWDJFTNVBDUSIH-MRXNPFEDSA-N 2 2 337.439 4.255 20 0 EIADLP c1c(CC[NH2+]C2c3ccccc3-c3ccccc32)[nH+]c2n1CCCC2 ZINC000378526877 1022858182 /nfs/dbraw/zinc/85/81/82/1022858182.db2.gz ATCLECCTVMKJHU-UHFFFAOYSA-N 2 2 329.447 4.122 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278618 1022953003 /nfs/dbraw/zinc/95/30/03/1022953003.db2.gz UTOKZMUCBIDWPT-DYESRHJHSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278618 1022953019 /nfs/dbraw/zinc/95/30/19/1022953019.db2.gz UTOKZMUCBIDWPT-DYESRHJHSA-N 2 2 338.495 4.499 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000236605453 1023125567 /nfs/dbraw/zinc/12/55/67/1023125567.db2.gz NDPMAWMOHFYPJV-NRFANRHFSA-N 2 2 326.459 4.378 20 0 EIADLP C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500076362 1023486907 /nfs/dbraw/zinc/48/69/07/1023486907.db2.gz SFYCOFFOFFTLRP-CYBMUJFWSA-N 2 2 337.389 4.412 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564570 1023682240 /nfs/dbraw/zinc/68/22/40/1023682240.db2.gz ALDANMRGYVSNQA-OXQOHEQNSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564570 1023682246 /nfs/dbraw/zinc/68/22/46/1023682246.db2.gz ALDANMRGYVSNQA-OXQOHEQNSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377688605 1023687731 /nfs/dbraw/zinc/68/77/31/1023687731.db2.gz ACOOSTXBSHGQQG-YYWHXJBOSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377688605 1023687739 /nfs/dbraw/zinc/68/77/39/1023687739.db2.gz ACOOSTXBSHGQQG-YYWHXJBOSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377688605 1023687750 /nfs/dbraw/zinc/68/77/50/1023687750.db2.gz ACOOSTXBSHGQQG-YYWHXJBOSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377688605 1023687760 /nfs/dbraw/zinc/68/77/60/1023687760.db2.gz ACOOSTXBSHGQQG-YYWHXJBOSA-N 2 2 341.474 4.297 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000377718007 1023708860 /nfs/dbraw/zinc/70/88/60/1023708860.db2.gz IKNSDUZGVXZQTE-IBGZPJMESA-N 2 2 334.467 4.219 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000377718007 1023708869 /nfs/dbraw/zinc/70/88/69/1023708869.db2.gz IKNSDUZGVXZQTE-IBGZPJMESA-N 2 2 334.467 4.219 20 0 EIADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(C)o1 ZINC000156448930 1023865050 /nfs/dbraw/zinc/86/50/50/1023865050.db2.gz INDCBVGGFDMBAM-HNAYVOBHSA-N 2 2 339.439 4.120 20 0 EIADLP Fc1ccc(/C=C\C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000581949213 1023921982 /nfs/dbraw/zinc/92/19/82/1023921982.db2.gz SVQGYIVARFLXQH-IWQZZHSRSA-N 2 2 327.447 4.228 20 0 EIADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790943 1024024185 /nfs/dbraw/zinc/02/41/85/1024024185.db2.gz QWZQMTBHBGXLPJ-MFNRNEDNSA-N 2 2 332.454 4.350 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710092 1024024258 /nfs/dbraw/zinc/02/42/58/1024024258.db2.gz JUNXZQWMCCRIRD-CYBMUJFWSA-N 2 2 345.878 4.194 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710092 1024024275 /nfs/dbraw/zinc/02/42/75/1024024275.db2.gz JUNXZQWMCCRIRD-CYBMUJFWSA-N 2 2 345.878 4.194 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000473134158 1024361875 /nfs/dbraw/zinc/36/18/75/1024361875.db2.gz WDFJPARVODHNHU-OXQOHEQNSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000473134158 1024361900 /nfs/dbraw/zinc/36/19/00/1024361900.db2.gz WDFJPARVODHNHU-OXQOHEQNSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134158 1024361922 /nfs/dbraw/zinc/36/19/22/1024361922.db2.gz WDFJPARVODHNHU-OXQOHEQNSA-N 2 2 342.458 4.016 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(O)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000473134158 1024361939 /nfs/dbraw/zinc/36/19/39/1024361939.db2.gz WDFJPARVODHNHU-OXQOHEQNSA-N 2 2 342.458 4.016 20 0 EIADLP CC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510731645 1024362211 /nfs/dbraw/zinc/36/22/11/1024362211.db2.gz ICVSSIIZPLQLOF-NRFANRHFSA-N 2 2 326.459 4.297 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1F ZINC000161656206 1025064101 /nfs/dbraw/zinc/06/41/01/1025064101.db2.gz DZNDCYLVPURZKG-KRWDZBQOSA-N 2 2 342.886 4.021 20 0 EIADLP c1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cs2)cs1 ZINC000663347264 1025148145 /nfs/dbraw/zinc/14/81/45/1025148145.db2.gz IJPODEVSWBUOCJ-HNNXBMFYSA-N 2 2 347.553 4.083 20 0 EIADLP c1cc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)cs1 ZINC000663347264 1025148154 /nfs/dbraw/zinc/14/81/54/1025148154.db2.gz IJPODEVSWBUOCJ-HNNXBMFYSA-N 2 2 347.553 4.083 20 0 EIADLP Nc1cccc2c1cc[nH+]c2NCc1ccccc1C[NH+]1CCCC1 ZINC000663356235 1025170155 /nfs/dbraw/zinc/17/01/55/1025170155.db2.gz JMAIUZNKBKWMAP-UHFFFAOYSA-N 2 2 332.451 4.025 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(SC(F)F)cc1)C2 ZINC000151044224 1025260648 /nfs/dbraw/zinc/26/06/48/1025260648.db2.gz QRQCDHQJVIFYDD-GXTWGEPZSA-N 2 2 337.439 4.172 20 0 EIADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151126701 1025265089 /nfs/dbraw/zinc/26/50/89/1025265089.db2.gz URNAYTCKQQXJRB-CQSZACIVSA-N 2 2 340.254 4.084 20 0 EIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)cs2)cs1 ZINC000151129789 1025268093 /nfs/dbraw/zinc/26/80/93/1025268093.db2.gz CNCYSXPYVJQEHA-GFCCVEGCSA-N 2 2 332.498 4.117 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000122175457 1025361710 /nfs/dbraw/zinc/36/17/10/1025361710.db2.gz ZBQHNRFTCOXHJB-HUUCEWRRSA-N 2 2 339.414 4.432 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000122175137 1025365796 /nfs/dbraw/zinc/36/57/96/1025365796.db2.gz ZBQHNRFTCOXHJB-CABCVRRESA-N 2 2 339.414 4.432 20 0 EIADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000511028118 1025688659 /nfs/dbraw/zinc/68/86/59/1025688659.db2.gz KWIAAUDTFLRGAI-IRXDYDNUSA-N 2 2 326.484 4.042 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509249 1025811587 /nfs/dbraw/zinc/81/15/87/1025811587.db2.gz LXSHKUMNKXUFRD-GOSISDBHSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509249 1025811590 /nfs/dbraw/zinc/81/15/90/1025811590.db2.gz LXSHKUMNKXUFRD-GOSISDBHSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509249 1025811597 /nfs/dbraw/zinc/81/15/97/1025811597.db2.gz LXSHKUMNKXUFRD-GOSISDBHSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509249 1025811605 /nfs/dbraw/zinc/81/16/05/1025811605.db2.gz LXSHKUMNKXUFRD-GOSISDBHSA-N 2 2 331.891 4.194 20 0 EIADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(Cl)c1 ZINC000343981065 1025847022 /nfs/dbraw/zinc/84/70/22/1025847022.db2.gz POPWTTKLZMUADO-SFHVURJKSA-N 2 2 338.923 4.270 20 0 EIADLP CCCC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000343980822 1025848356 /nfs/dbraw/zinc/84/83/56/1025848356.db2.gz OKUBVLJAYQMXJK-FQEVSTJZSA-N 2 2 332.532 4.397 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000344035437 1025890833 /nfs/dbraw/zinc/89/08/33/1025890833.db2.gz QZSXKZMXPOXFRP-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC ZINC000152120331 1026112712 /nfs/dbraw/zinc/11/27/12/1026112712.db2.gz YJYSAWYTNDDRPW-HXUWFJFHSA-N 2 2 335.451 4.181 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cc2)c[nH+]1 ZINC000152117910 1026113527 /nfs/dbraw/zinc/11/35/27/1026113527.db2.gz QDJUYEBCSIQWLT-OAQYLSRUSA-N 2 2 349.503 4.052 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000512148104 1026135668 /nfs/dbraw/zinc/13/56/68/1026135668.db2.gz WHDXZAGBYPOQHU-UPHRSURJSA-N 2 2 343.352 4.093 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000303794628 1026170960 /nfs/dbraw/zinc/17/09/60/1026170960.db2.gz VOSPSCCLRZUPGY-PXNSSMCTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000303794628 1026170968 /nfs/dbraw/zinc/17/09/68/1026170968.db2.gz VOSPSCCLRZUPGY-PXNSSMCTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794628 1026170975 /nfs/dbraw/zinc/17/09/75/1026170975.db2.gz VOSPSCCLRZUPGY-PXNSSMCTSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794628 1026170984 /nfs/dbraw/zinc/17/09/84/1026170984.db2.gz VOSPSCCLRZUPGY-PXNSSMCTSA-N 2 2 326.459 4.311 20 0 EIADLP Cc1ccc2c(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c[nH]c2c1 ZINC000344239041 1026172377 /nfs/dbraw/zinc/17/23/77/1026172377.db2.gz QELKJNWAOWZEND-UHFFFAOYSA-N 2 2 336.464 4.056 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCCO2 ZINC000152243754 1026242895 /nfs/dbraw/zinc/24/28/95/1026242895.db2.gz XSVXYDAZMNJAKZ-IBGZPJMESA-N 2 2 333.435 4.184 20 0 EIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1c(F)cccc1F ZINC001167981925 1026369221 /nfs/dbraw/zinc/36/92/21/1026369221.db2.gz PMLIGFDJWGQPNL-IYHXRUFHSA-N 2 2 334.454 4.411 20 0 EIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1c(F)cccc1F ZINC001167981925 1026369235 /nfs/dbraw/zinc/36/92/35/1026369235.db2.gz PMLIGFDJWGQPNL-IYHXRUFHSA-N 2 2 334.454 4.411 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000152462619 1026589297 /nfs/dbraw/zinc/58/92/97/1026589297.db2.gz JKBPQCKBVYLMFX-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000152462619 1026589306 /nfs/dbraw/zinc/58/93/06/1026589306.db2.gz JKBPQCKBVYLMFX-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000236797117 1026784365 /nfs/dbraw/zinc/78/43/65/1026784365.db2.gz MPVOQLTVZNPDDG-OAQYLSRUSA-N 2 2 326.459 4.379 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000507459656 1026801333 /nfs/dbraw/zinc/80/13/33/1026801333.db2.gz GJEQVBIBROOSBM-GOSISDBHSA-N 2 2 337.511 4.268 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000507495399 1026811307 /nfs/dbraw/zinc/81/13/07/1026811307.db2.gz MHEJMZIILCJWBB-MSOLQXFVSA-N 2 2 325.500 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000507495399 1026811310 /nfs/dbraw/zinc/81/13/10/1026811310.db2.gz MHEJMZIILCJWBB-MSOLQXFVSA-N 2 2 325.500 4.205 20 0 EIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1OC ZINC000152749149 1026834229 /nfs/dbraw/zinc/83/42/29/1026834229.db2.gz FYWIFEZOEAVMMS-QGZVFWFLSA-N 2 2 347.890 4.165 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474472336 1027098991 /nfs/dbraw/zinc/09/89/91/1027098991.db2.gz NTDRIWVTMMWIBX-JKSUJKDBSA-N 2 2 343.902 4.486 20 0 EIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000474472334 1027099478 /nfs/dbraw/zinc/09/94/78/1027099478.db2.gz NTDRIWVTMMWIBX-HOTGVXAUSA-N 2 2 343.902 4.486 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840444 1027225388 /nfs/dbraw/zinc/22/53/88/1027225388.db2.gz DCVKTUSMZYQENR-OALUTQOASA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840444 1027225408 /nfs/dbraw/zinc/22/54/08/1027225408.db2.gz DCVKTUSMZYQENR-OALUTQOASA-N 2 2 344.524 4.080 20 0 EIADLP CC(C)Sc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000511211734 1027557853 /nfs/dbraw/zinc/55/78/53/1027557853.db2.gz RIDFXDMXOPLQSF-GOSISDBHSA-N 2 2 343.540 4.375 20 0 EIADLP CC(C)Sc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000511211734 1027557873 /nfs/dbraw/zinc/55/78/73/1027557873.db2.gz RIDFXDMXOPLQSF-GOSISDBHSA-N 2 2 343.540 4.375 20 0 EIADLP CCOc1ccccc1C1=CC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444593330 1027881053 /nfs/dbraw/zinc/88/10/53/1027881053.db2.gz RFXJXNHJXHRFGL-UHFFFAOYSA-N 2 2 328.500 4.050 20 0 EIADLP CCOc1ccccc1C1=CC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444593330 1027881055 /nfs/dbraw/zinc/88/10/55/1027881055.db2.gz RFXJXNHJXHRFGL-UHFFFAOYSA-N 2 2 328.500 4.050 20 0 EIADLP Clc1ccccc1O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444613907 1027890131 /nfs/dbraw/zinc/89/01/31/1027890131.db2.gz YVAHDLRDLQAPFP-KRWDZBQOSA-N 2 2 336.907 4.059 20 0 EIADLP Clc1ccccc1O[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444613907 1027890137 /nfs/dbraw/zinc/89/01/37/1027890137.db2.gz YVAHDLRDLQAPFP-KRWDZBQOSA-N 2 2 336.907 4.059 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000346143586 1028279368 /nfs/dbraw/zinc/27/93/68/1028279368.db2.gz DRGRLANFJFMIMV-SFHVURJKSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000346143586 1028279384 /nfs/dbraw/zinc/27/93/84/1028279384.db2.gz DRGRLANFJFMIMV-SFHVURJKSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000346143586 1028279405 /nfs/dbraw/zinc/27/94/05/1028279405.db2.gz DRGRLANFJFMIMV-SFHVURJKSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000346143586 1028279420 /nfs/dbraw/zinc/27/94/20/1028279420.db2.gz DRGRLANFJFMIMV-SFHVURJKSA-N 2 2 341.524 4.247 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346310698 1028379032 /nfs/dbraw/zinc/37/90/32/1028379032.db2.gz NHWNVKWCBKZPDU-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346310698 1028379055 /nfs/dbraw/zinc/37/90/55/1028379055.db2.gz NHWNVKWCBKZPDU-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126051063 1028522432 /nfs/dbraw/zinc/52/24/32/1028522432.db2.gz MSXCSIMJRKCHSG-NRFANRHFSA-N 2 2 348.494 4.131 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000281412939 1028578410 /nfs/dbraw/zinc/57/84/10/1028578410.db2.gz ZMFKLMVHBYVTIT-MOPGFXCFSA-N 2 2 338.499 4.293 20 0 EIADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256720 1028817171 /nfs/dbraw/zinc/81/71/71/1028817171.db2.gz PWRGNGYWJCTPRT-IYOUNJFTSA-N 2 2 329.513 4.109 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)C2 ZINC000156883368 1028863489 /nfs/dbraw/zinc/86/34/89/1028863489.db2.gz ATPGUWUUDVXVCE-DOTOQJQBSA-N 2 2 327.472 4.034 20 0 EIADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000367245084 1028871569 /nfs/dbraw/zinc/87/15/69/1028871569.db2.gz DTVDSVQQVRXWPQ-LAUBAEHRSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1Cl ZINC000163231044 1028889786 /nfs/dbraw/zinc/88/97/86/1028889786.db2.gz RXKWAFHKRUIGPK-SOLBZPMBSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1Cl ZINC000163231044 1028889797 /nfs/dbraw/zinc/88/97/97/1028889797.db2.gz RXKWAFHKRUIGPK-SOLBZPMBSA-N 2 2 343.902 4.439 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)o1 ZINC000278351085 1028961221 /nfs/dbraw/zinc/96/12/21/1028961221.db2.gz ZDAIINHYLNNQIT-ZDUSSCGKSA-N 2 2 327.403 4.380 20 0 EIADLP FC(F)Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000524457917 1028965887 /nfs/dbraw/zinc/96/58/87/1028965887.db2.gz NFKDQEYSDQUSNA-GOSISDBHSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)Oc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000524457917 1028965911 /nfs/dbraw/zinc/96/59/11/1028965911.db2.gz NFKDQEYSDQUSNA-GOSISDBHSA-N 2 2 346.421 4.042 20 0 EIADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000475089051 1029234360 /nfs/dbraw/zinc/23/43/60/1029234360.db2.gz NQNQTXGQINBMIK-HNNXBMFYSA-N 2 2 331.891 4.091 20 0 EIADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000475089051 1029234375 /nfs/dbraw/zinc/23/43/75/1029234375.db2.gz NQNQTXGQINBMIK-HNNXBMFYSA-N 2 2 331.891 4.091 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151340974 1029487758 /nfs/dbraw/zinc/48/77/58/1029487758.db2.gz DRVHSHUZUWTAPU-QZTJIDSGSA-N 2 2 349.478 4.222 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)c[nH+]1 ZINC000151351120 1029493885 /nfs/dbraw/zinc/49/38/85/1029493885.db2.gz IKARNZPIJIQURA-NRFANRHFSA-N 2 2 349.503 4.052 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1C ZINC000525207851 1029514666 /nfs/dbraw/zinc/51/46/66/1029514666.db2.gz RFDBKVYVIQJXKK-RHSMWYFYSA-N 2 2 336.907 4.234 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2s1 ZINC000446758072 1029570345 /nfs/dbraw/zinc/57/03/45/1029570345.db2.gz YOIBBDBONNWXME-CQSZACIVSA-N 2 2 325.481 4.327 20 0 EIADLP CCc1[nH+]c2ccccc2c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000548817860 1029625857 /nfs/dbraw/zinc/62/58/57/1029625857.db2.gz HPJDPQXYJBBRCH-QRWLVFNGSA-N 2 2 334.467 4.390 20 0 EIADLP CCc1[nH+]c2ccccc2c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000548817859 1029626582 /nfs/dbraw/zinc/62/65/82/1029626582.db2.gz HPJDPQXYJBBRCH-MGPUTAFESA-N 2 2 334.467 4.390 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C(F)F)nc1 ZINC000657831270 1029649645 /nfs/dbraw/zinc/64/96/45/1029649645.db2.gz UJZFLKVFXLNXDB-CQSZACIVSA-N 2 2 342.393 4.115 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)c(Cl)c1 ZINC000657832568 1029655015 /nfs/dbraw/zinc/65/50/15/1029655015.db2.gz GDALZSXFMCGDKY-WDEREUQCSA-N 2 2 342.668 4.038 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657834029 1029667506 /nfs/dbraw/zinc/66/75/06/1029667506.db2.gz IIBYNDLIIWWEEQ-KRWDZBQOSA-N 2 2 331.891 4.026 20 0 EIADLP CC(C)[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301161752 1029679196 /nfs/dbraw/zinc/67/91/96/1029679196.db2.gz HNBOHYLGQZUHHT-UHFFFAOYSA-N 2 2 348.288 4.282 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000447070085 1029686654 /nfs/dbraw/zinc/68/66/54/1029686654.db2.gz YHLBSZFNQBVJDG-NSCUHMNNSA-N 2 2 344.405 4.225 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCSc2ccccc2)CC1 ZINC000429715482 1029699993 /nfs/dbraw/zinc/69/99/93/1029699993.db2.gz IOZOQHPQMGIQQD-UHFFFAOYSA-N 2 2 328.481 4.026 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000080961711 1029767308 /nfs/dbraw/zinc/76/73/08/1029767308.db2.gz YKBMGQXXLVFZIC-CQSZACIVSA-N 2 2 340.858 4.299 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000080961711 1029767317 /nfs/dbraw/zinc/76/73/17/1029767317.db2.gz YKBMGQXXLVFZIC-CQSZACIVSA-N 2 2 340.858 4.299 20 0 EIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000089668721 1029852080 /nfs/dbraw/zinc/85/20/80/1029852080.db2.gz HLYRXDVKSGPCQI-BWAGFHJFSA-N 2 2 338.495 4.017 20 0 EIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000089668721 1029852081 /nfs/dbraw/zinc/85/20/81/1029852081.db2.gz HLYRXDVKSGPCQI-BWAGFHJFSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000090667250 1029868404 /nfs/dbraw/zinc/86/84/04/1029868404.db2.gz CYSADXCXCNXIQX-BEFAXECRSA-N 2 2 341.524 4.336 20 0 EIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479663 1029887028 /nfs/dbraw/zinc/88/70/28/1029887028.db2.gz YSVLNHKVTILWKT-GFCCVEGCSA-N 2 2 346.356 4.361 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072515 1029899224 /nfs/dbraw/zinc/89/92/24/1029899224.db2.gz ZPQHQZNHRNACNO-HNNXBMFYSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072515 1029899226 /nfs/dbraw/zinc/89/92/26/1029899226.db2.gz ZPQHQZNHRNACNO-HNNXBMFYSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Oc1cccnc1 ZINC000092072959 1029899779 /nfs/dbraw/zinc/89/97/79/1029899779.db2.gz SQRBVBWPQOOVLG-SFHVURJKSA-N 2 2 348.450 4.285 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Oc1cccnc1 ZINC000092072959 1029899781 /nfs/dbraw/zinc/89/97/81/1029899781.db2.gz SQRBVBWPQOOVLG-SFHVURJKSA-N 2 2 348.450 4.285 20 0 EIADLP C[N@H+](CC/C=C\c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450793032 1029983446 /nfs/dbraw/zinc/98/34/46/1029983446.db2.gz PCPQGPPBDIBZGL-USTZTUDGSA-N 2 2 335.495 4.110 20 0 EIADLP C[N@@H+](CC/C=C\c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450793032 1029983465 /nfs/dbraw/zinc/98/34/65/1029983465.db2.gz PCPQGPPBDIBZGL-USTZTUDGSA-N 2 2 335.495 4.110 20 0 EIADLP C[NH+](CC/C=C\c1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450793032 1029983493 /nfs/dbraw/zinc/98/34/93/1029983493.db2.gz PCPQGPPBDIBZGL-USTZTUDGSA-N 2 2 335.495 4.110 20 0 EIADLP C[NH+](CC/C=C\c1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450793032 1029983513 /nfs/dbraw/zinc/98/35/13/1029983513.db2.gz PCPQGPPBDIBZGL-USTZTUDGSA-N 2 2 335.495 4.110 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000183152719 1029989587 /nfs/dbraw/zinc/98/95/87/1029989587.db2.gz WSLWQZBKRRCNFO-NSHDSACASA-N 2 2 332.860 4.141 20 0 EIADLP CCc1ncc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093818707 1029990550 /nfs/dbraw/zinc/99/05/50/1029990550.db2.gz YYICWHUEFGFRKB-GOSISDBHSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093818707 1029990578 /nfs/dbraw/zinc/99/05/78/1029990578.db2.gz YYICWHUEFGFRKB-GOSISDBHSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093818707 1029990605 /nfs/dbraw/zinc/99/06/05/1029990605.db2.gz YYICWHUEFGFRKB-GOSISDBHSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093818707 1029990637 /nfs/dbraw/zinc/99/06/37/1029990637.db2.gz YYICWHUEFGFRKB-GOSISDBHSA-N 2 2 343.540 4.050 20 0 EIADLP COc1ccccc1[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410380 1030264075 /nfs/dbraw/zinc/26/40/75/1030264075.db2.gz MNRRDIDTZGHBGJ-RXVVDRJESA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccccc1[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410380 1030264099 /nfs/dbraw/zinc/26/40/99/1030264099.db2.gz MNRRDIDTZGHBGJ-RXVVDRJESA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccc([C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000392525772 1030307444 /nfs/dbraw/zinc/30/74/44/1030307444.db2.gz LRFGKXMFXQQCTL-OAQYLSRUSA-N 2 2 326.484 4.105 20 0 EIADLP COc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000392525772 1030307453 /nfs/dbraw/zinc/30/74/53/1030307453.db2.gz LRFGKXMFXQQCTL-OAQYLSRUSA-N 2 2 326.484 4.105 20 0 EIADLP Clc1ccc(/C=C/C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000530335625 1030322793 /nfs/dbraw/zinc/32/27/93/1030322793.db2.gz UZBFMVOWXISUBX-ONEGZZNKSA-N 2 2 327.859 4.325 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628232756 1030699614 /nfs/dbraw/zinc/69/96/14/1030699614.db2.gz MMMGQDMKEOJWSP-UHFFFAOYSA-N 2 2 339.483 4.074 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001168183517 1030838867 /nfs/dbraw/zinc/83/88/67/1030838867.db2.gz QXAVTEWXHIDWHK-OAHLLOKOSA-N 2 2 330.859 4.209 20 0 EIADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC000527750958 1030843437 /nfs/dbraw/zinc/84/34/37/1030843437.db2.gz CVWDJLFUGVCPSN-LMNJBCLMSA-N 2 2 327.516 4.104 20 0 EIADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC000527750958 1030843439 /nfs/dbraw/zinc/84/34/39/1030843439.db2.gz CVWDJLFUGVCPSN-LMNJBCLMSA-N 2 2 327.516 4.104 20 0 EIADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527843673 1030874732 /nfs/dbraw/zinc/87/47/32/1030874732.db2.gz CIYHFLNUGNIJLD-HNNXBMFYSA-N 2 2 340.515 4.047 20 0 EIADLP C[C@@H]1[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H]1c1ccccc1 ZINC000658198958 1030879266 /nfs/dbraw/zinc/87/92/66/1030879266.db2.gz YSWWNRIUFIWYGP-UPZYVNNASA-N 2 2 345.490 4.486 20 0 EIADLP Cc1cc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C(C)C ZINC000531188620 1030951778 /nfs/dbraw/zinc/95/17/78/1030951778.db2.gz CTQWPNRNQWTRAM-UHFFFAOYSA-N 2 2 327.472 4.100 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949020 1030965633 /nfs/dbraw/zinc/96/56/33/1030965633.db2.gz NQICBPAWJMESSN-WMLDXEAASA-N 2 2 329.513 4.354 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949020 1030965652 /nfs/dbraw/zinc/96/56/52/1030965652.db2.gz NQICBPAWJMESSN-WMLDXEAASA-N 2 2 329.513 4.354 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC2(CO1)CCCCC2 ZINC001168207783 1031268731 /nfs/dbraw/zinc/26/87/31/1031268731.db2.gz DWZPCGFWUJVFFD-FQEVSTJZSA-N 2 2 344.543 4.226 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC2(CO1)CCCCC2 ZINC001168207783 1031268735 /nfs/dbraw/zinc/26/87/35/1031268735.db2.gz DWZPCGFWUJVFFD-FQEVSTJZSA-N 2 2 344.543 4.226 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000120078716 1031421543 /nfs/dbraw/zinc/42/15/43/1031421543.db2.gz VLNARIQYRAUNLW-JXFKEZNVSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000120078716 1031421554 /nfs/dbraw/zinc/42/15/54/1031421554.db2.gz VLNARIQYRAUNLW-JXFKEZNVSA-N 2 2 349.478 4.136 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)c1nc2ccccc2s1 ZINC000531684408 1031473487 /nfs/dbraw/zinc/47/34/87/1031473487.db2.gz CXCKKKXBCVABBV-HUUCEWRRSA-N 2 2 328.485 4.055 20 0 EIADLP COc1cccc(C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000531684072 1031478195 /nfs/dbraw/zinc/47/81/95/1031478195.db2.gz LNNDZOBQFJWVAX-JOCHJYFZSA-N 2 2 349.478 4.246 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCCC23CCC3)CCOCC1)c1ccccc1 ZINC000449158506 1031488691 /nfs/dbraw/zinc/48/86/91/1031488691.db2.gz UKPFKBGXFLQADV-ICSRJNTNSA-N 2 2 342.527 4.199 20 0 EIADLP COc1cccc2c(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)cccc12 ZINC000449175083 1031496481 /nfs/dbraw/zinc/49/64/81/1031496481.db2.gz ZTAVRHTYLZDKAO-QGZVFWFLSA-N 2 2 335.451 4.021 20 0 EIADLP Cc1ccc2sc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426971 1031505804 /nfs/dbraw/zinc/50/58/04/1031505804.db2.gz WRIMCUVYNSHWMM-CRAIPNDOSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000528426971 1031505818 /nfs/dbraw/zinc/50/58/18/1031505818.db2.gz WRIMCUVYNSHWMM-CRAIPNDOSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000528426971 1031505836 /nfs/dbraw/zinc/50/58/36/1031505836.db2.gz WRIMCUVYNSHWMM-CRAIPNDOSA-N 2 2 341.524 4.053 20 0 EIADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000528426971 1031505850 /nfs/dbraw/zinc/50/58/50/1031505850.db2.gz WRIMCUVYNSHWMM-CRAIPNDOSA-N 2 2 341.524 4.053 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccsc1 ZINC000453071153 1031537736 /nfs/dbraw/zinc/53/77/36/1031537736.db2.gz CVCPJGOXKZQJFK-SFHVURJKSA-N 2 2 325.481 4.276 20 0 EIADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000449296097 1031604902 /nfs/dbraw/zinc/60/49/02/1031604902.db2.gz XTINKIVAAOABIE-HYOCIYNVSA-N 2 2 332.454 4.206 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCC34CCC4)C2)CC1 ZINC000449292210 1031621198 /nfs/dbraw/zinc/62/11/98/1031621198.db2.gz CFWONMGWYXVALG-GPANFISMSA-N 2 2 330.438 4.104 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000453128513 1031629823 /nfs/dbraw/zinc/62/98/23/1031629823.db2.gz WWXXWVJSOWUINX-MSOLQXFVSA-N 2 2 334.467 4.329 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)n2c1CCCC2 ZINC000282046042 1031794451 /nfs/dbraw/zinc/79/44/51/1031794451.db2.gz LTJBZWUKJBVSEC-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)n2c1CCCC2 ZINC000282046042 1031794468 /nfs/dbraw/zinc/79/44/68/1031794468.db2.gz LTJBZWUKJBVSEC-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP CC(C)CCn1nc(C[NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000449488867 1031797426 /nfs/dbraw/zinc/79/74/26/1031797426.db2.gz LVZWPYUWKJQACG-UHFFFAOYSA-N 2 2 342.531 4.045 20 0 EIADLP CSc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000531957640 1031874612 /nfs/dbraw/zinc/87/46/12/1031874612.db2.gz MWDIMDUNIURFHM-CQSZACIVSA-N 2 2 333.476 4.486 20 0 EIADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368716 1031961232 /nfs/dbraw/zinc/96/12/32/1031961232.db2.gz PIYQWDFTKLYNDK-SUMWQHHRSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368716 1031961244 /nfs/dbraw/zinc/96/12/44/1031961244.db2.gz PIYQWDFTKLYNDK-SUMWQHHRSA-N 2 2 337.389 4.065 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449775330 1031996572 /nfs/dbraw/zinc/99/65/72/1031996572.db2.gz MDNUTJDANSKKBK-HNNXBMFYSA-N 2 2 329.513 4.069 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449775330 1031996583 /nfs/dbraw/zinc/99/65/83/1031996583.db2.gz MDNUTJDANSKKBK-HNNXBMFYSA-N 2 2 329.513 4.069 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894061270 1033299277 /nfs/dbraw/zinc/29/92/77/1033299277.db2.gz IUAZKOZTYZZHGX-BTFYYFJDSA-N 2 2 326.406 4.203 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894061270 1033299291 /nfs/dbraw/zinc/29/92/91/1033299291.db2.gz IUAZKOZTYZZHGX-BTFYYFJDSA-N 2 2 326.406 4.203 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086431 1033312580 /nfs/dbraw/zinc/31/25/80/1033312580.db2.gz GDNOQMDTEKTJOL-CQSZACIVSA-N 2 2 349.931 4.113 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086431 1033312598 /nfs/dbraw/zinc/31/25/98/1033312598.db2.gz GDNOQMDTEKTJOL-CQSZACIVSA-N 2 2 349.931 4.113 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086431 1033312613 /nfs/dbraw/zinc/31/26/13/1033312613.db2.gz GDNOQMDTEKTJOL-CQSZACIVSA-N 2 2 349.931 4.113 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086431 1033312628 /nfs/dbraw/zinc/31/26/28/1033312628.db2.gz GDNOQMDTEKTJOL-CQSZACIVSA-N 2 2 349.931 4.113 20 0 EIADLP Cc1ccc(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1C ZINC000433080703 1033807283 /nfs/dbraw/zinc/80/72/83/1033807283.db2.gz DMUPLPYWHQROEE-UHFFFAOYSA-N 2 2 349.522 4.379 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512756439 1033855546 /nfs/dbraw/zinc/85/55/46/1033855546.db2.gz UJWPHFZTRHZUAF-UHFFFAOYSA-N 2 2 338.495 4.278 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000512810294 1034009497 /nfs/dbraw/zinc/00/94/97/1034009497.db2.gz RAIAGZJEUZZSPR-UHFFFAOYSA-N 2 2 328.887 4.403 20 0 EIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000513526805 1035021556 /nfs/dbraw/zinc/02/15/56/1035021556.db2.gz QFNJNVYAEMNPIM-SHRNQRGKSA-N 2 2 329.875 4.415 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286939 1035500315 /nfs/dbraw/zinc/50/03/15/1035500315.db2.gz HCJSHYBLDLHBQC-DETPVDSQSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286939 1035500324 /nfs/dbraw/zinc/50/03/24/1035500324.db2.gz HCJSHYBLDLHBQC-DETPVDSQSA-N 2 2 333.863 4.034 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502313276 1036091086 /nfs/dbraw/zinc/09/10/86/1036091086.db2.gz RHTSUPBBXPGNSE-QGZVFWFLSA-N 2 2 341.474 4.301 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502313276 1036091109 /nfs/dbraw/zinc/09/11/09/1036091109.db2.gz RHTSUPBBXPGNSE-QGZVFWFLSA-N 2 2 341.474 4.301 20 0 EIADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333340 1036096884 /nfs/dbraw/zinc/09/68/84/1036096884.db2.gz OBBPAYVSHZRZBN-YZTRRJNXSA-N 2 2 339.458 4.251 20 0 EIADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502333340 1036096910 /nfs/dbraw/zinc/09/69/10/1036096910.db2.gz OBBPAYVSHZRZBN-YZTRRJNXSA-N 2 2 339.458 4.251 20 0 EIADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000571633043 1036103331 /nfs/dbraw/zinc/10/33/31/1036103331.db2.gz RKTWWISAIHFMGI-MRXNPFEDSA-N 2 2 345.531 4.024 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000588177682 1036284107 /nfs/dbraw/zinc/28/41/07/1036284107.db2.gz YGEIZSKMBCMOBJ-OBGWFSINSA-N 2 2 330.541 4.041 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421344050 1036291620 /nfs/dbraw/zinc/29/16/20/1036291620.db2.gz ROJNTJGZRCQVAA-KRWDZBQOSA-N 2 2 335.495 4.274 20 0 EIADLP CC[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000668575127 1036431354 /nfs/dbraw/zinc/43/13/54/1036431354.db2.gz HBCQCOCYOXUXNN-WIYYLYMNSA-N 2 2 333.479 4.487 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720492 1036559025 /nfs/dbraw/zinc/55/90/25/1036559025.db2.gz GAHXPXICJJNWIF-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720492 1036559035 /nfs/dbraw/zinc/55/90/35/1036559035.db2.gz GAHXPXICJJNWIF-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720492 1036559038 /nfs/dbraw/zinc/55/90/38/1036559038.db2.gz GAHXPXICJJNWIF-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720492 1036559045 /nfs/dbraw/zinc/55/90/45/1036559045.db2.gz GAHXPXICJJNWIF-IRXDYDNUSA-N 2 2 337.305 4.070 20 0 EIADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C[NH+]1CCCCC1 ZINC000602910107 1036664315 /nfs/dbraw/zinc/66/43/15/1036664315.db2.gz IHTSMQZSZBSBMF-CYBMUJFWSA-N 2 2 346.849 4.153 20 0 EIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000421830204 1036786141 /nfs/dbraw/zinc/78/61/41/1036786141.db2.gz JQHAXORPECYJHE-KGLIPLIRSA-N 2 2 333.863 4.082 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720548 1036813175 /nfs/dbraw/zinc/81/31/75/1036813175.db2.gz VJDPWYJTVIFWQO-QZTJIDSGSA-N 2 2 341.524 4.381 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720548 1036813177 /nfs/dbraw/zinc/81/31/77/1036813177.db2.gz VJDPWYJTVIFWQO-QZTJIDSGSA-N 2 2 341.524 4.381 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000589645632 1036859517 /nfs/dbraw/zinc/85/95/17/1036859517.db2.gz DIXOJIULPVVAOP-HSZRJFAPSA-N 2 2 347.506 4.340 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)[N@H+]1CCc2ccccc2C1 ZINC000589645632 1036859518 /nfs/dbraw/zinc/85/95/18/1036859518.db2.gz DIXOJIULPVVAOP-HSZRJFAPSA-N 2 2 347.506 4.340 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000486955474 1036915449 /nfs/dbraw/zinc/91/54/49/1036915449.db2.gz LGHSKHGBYUDSBF-UHFFFAOYSA-N 2 2 333.863 4.116 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C/C=C/c2ccncc2)CCCC1)c1ccccc1 ZINC000487288195 1037103347 /nfs/dbraw/zinc/10/33/47/1037103347.db2.gz LRAOJMVEHXKKMC-UCFODXPJSA-N 2 2 335.495 4.348 20 0 EIADLP CC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272584172 1037241501 /nfs/dbraw/zinc/24/15/01/1037241501.db2.gz QWOTVEMSMCWQAG-HNNXBMFYSA-N 2 2 328.422 4.187 20 0 EIADLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272923260 1037325355 /nfs/dbraw/zinc/32/53/55/1037325355.db2.gz RSEPHSNLSMOUGS-HNNXBMFYSA-N 2 2 328.422 4.105 20 0 EIADLP C[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(C)(C)C)cc1 ZINC000573409703 1037499663 /nfs/dbraw/zinc/49/96/63/1037499663.db2.gz QARUAFAJOUUHCM-CRAIPNDOSA-N 2 2 325.500 4.033 20 0 EIADLP c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000488392601 1037561968 /nfs/dbraw/zinc/56/19/68/1037561968.db2.gz QNALJOMYXOXJON-TZIWHRDSSA-N 2 2 335.495 4.366 20 0 EIADLP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488417182 1037573332 /nfs/dbraw/zinc/57/33/32/1037573332.db2.gz VWMYUYGFKNKXCK-UWJYYQICSA-N 2 2 331.463 4.344 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378420 1037729122 /nfs/dbraw/zinc/72/91/22/1037729122.db2.gz QEXYGQVPMKTIAQ-HOCLYGCPSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378420 1037729141 /nfs/dbraw/zinc/72/91/41/1037729141.db2.gz QEXYGQVPMKTIAQ-HOCLYGCPSA-N 2 2 345.437 4.438 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000503581415 1037820538 /nfs/dbraw/zinc/82/05/38/1037820538.db2.gz NAZXUCRGMHUFBX-UHFFFAOYSA-N 2 2 337.423 4.449 20 0 EIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503577558 1037825593 /nfs/dbraw/zinc/82/55/93/1037825593.db2.gz YLRSEMRPQWRLDN-UHFFFAOYSA-N 2 2 328.456 4.426 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503585923 1037828914 /nfs/dbraw/zinc/82/89/14/1037828914.db2.gz GMZJHAYJSYJCFU-UHFFFAOYSA-N 2 2 328.456 4.282 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422866260 1037848555 /nfs/dbraw/zinc/84/85/55/1037848555.db2.gz PZCZUEWCWWGJHW-GCJKJVERSA-N 2 2 338.495 4.024 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971945 1037893102 /nfs/dbraw/zinc/89/31/02/1037893102.db2.gz ZEPFPWKQPDYTRH-BLKABHOGSA-N 2 2 336.479 4.024 20 0 EIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000423184395 1038017862 /nfs/dbraw/zinc/01/78/62/1038017862.db2.gz HUXYSOKOGLTKOE-ZDUSSCGKSA-N 2 2 338.282 4.219 20 0 EIADLP CSc1cccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2cc(F)ccc2F)c1 ZINC000423223055 1038065247 /nfs/dbraw/zinc/06/52/47/1038065247.db2.gz DQFSLWXUPHZDQJ-SGTLLEGYSA-N 2 2 336.451 4.103 20 0 EIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000489630574 1038176118 /nfs/dbraw/zinc/17/61/18/1038176118.db2.gz LZXNVMCAAYJTPA-LJQANCHMSA-N 2 2 341.499 4.383 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423395084 1038203040 /nfs/dbraw/zinc/20/30/40/1038203040.db2.gz NCNSIWVJAKWOBS-QPJICYPMSA-N 2 2 349.453 4.051 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccccc2Cl)cc1 ZINC000423396988 1038205847 /nfs/dbraw/zinc/20/58/47/1038205847.db2.gz NYUXOENFZHXXHA-XMCHAPAWSA-N 2 2 344.886 4.026 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H](C)C2 ZINC000490158650 1038363367 /nfs/dbraw/zinc/36/33/67/1038363367.db2.gz SXVOGIISWTXUDO-JPYJTQIMSA-N 2 2 345.490 4.305 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000608073009 1038489600 /nfs/dbraw/zinc/48/96/00/1038489600.db2.gz MXLODMKHEZALEQ-LJQANCHMSA-N 2 2 349.409 4.379 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CCCC2 ZINC000480756632 1038796464 /nfs/dbraw/zinc/79/64/64/1038796464.db2.gz KMCYJKAIYPWGKF-CQSZACIVSA-N 2 2 329.513 4.053 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000480791202 1038811343 /nfs/dbraw/zinc/81/13/43/1038811343.db2.gz RCTSHPDFMVNUOO-GOSISDBHSA-N 2 2 333.479 4.387 20 0 EIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000462119602 1038936922 /nfs/dbraw/zinc/93/69/22/1038936922.db2.gz GEFXFVRDFNTKDC-VQTJNVASSA-N 2 2 325.500 4.460 20 0 EIADLP CC[N@H+](C/C=C/c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618707 1038940551 /nfs/dbraw/zinc/94/05/51/1038940551.db2.gz IAMFOYZBSFKBHE-DHZHZOJOSA-N 2 2 335.495 4.333 20 0 EIADLP CC[N@@H+](C/C=C/c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618707 1038940591 /nfs/dbraw/zinc/94/05/91/1038940591.db2.gz IAMFOYZBSFKBHE-DHZHZOJOSA-N 2 2 335.495 4.333 20 0 EIADLP CC[C@@H](C)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000481083484 1039026013 /nfs/dbraw/zinc/02/60/13/1039026013.db2.gz AHUIDURLVMYDHI-MRXNPFEDSA-N 2 2 332.536 4.245 20 0 EIADLP CC[C@@H](C)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000481083484 1039026032 /nfs/dbraw/zinc/02/60/32/1039026032.db2.gz AHUIDURLVMYDHI-MRXNPFEDSA-N 2 2 332.536 4.245 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000481333299 1039311324 /nfs/dbraw/zinc/31/13/24/1039311324.db2.gz RWSXOIRORFQTRH-SFHVURJKSA-N 2 2 338.495 4.319 20 0 EIADLP Clc1cccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)c1Cl ZINC000061014656 1039780553 /nfs/dbraw/zinc/78/05/53/1039780553.db2.gz UMIYCICIQGAXIR-UHFFFAOYSA-N 2 2 336.222 4.240 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122789871 1039793392 /nfs/dbraw/zinc/79/33/92/1039793392.db2.gz MKFHFLILLIFTCW-IAGOWNOFSA-N 2 2 335.451 4.250 20 0 EIADLP C[C@H](CCc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748082 1039857793 /nfs/dbraw/zinc/85/77/93/1039857793.db2.gz SGPDMFOHMWTRQK-COPCDDAFSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@H](CCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748082 1039857794 /nfs/dbraw/zinc/85/77/94/1039857794.db2.gz SGPDMFOHMWTRQK-COPCDDAFSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@H](CCc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748082 1039857802 /nfs/dbraw/zinc/85/78/02/1039857802.db2.gz SGPDMFOHMWTRQK-COPCDDAFSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@H](CCc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748082 1039857804 /nfs/dbraw/zinc/85/78/04/1039857804.db2.gz SGPDMFOHMWTRQK-COPCDDAFSA-N 2 2 337.511 4.028 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551006590 1039868871 /nfs/dbraw/zinc/86/88/71/1039868871.db2.gz YHHBQVOUWWZNHK-ZAAXVRCTSA-N 2 2 342.458 4.320 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551006590 1039868874 /nfs/dbraw/zinc/86/88/74/1039868874.db2.gz YHHBQVOUWWZNHK-ZAAXVRCTSA-N 2 2 342.458 4.320 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CCC2 ZINC000551050432 1039910254 /nfs/dbraw/zinc/91/02/54/1039910254.db2.gz IRQJTVSDRVEKBT-PKOBYXMFSA-N 2 2 343.902 4.333 20 0 EIADLP Fc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1F ZINC000668084292 1040379104 /nfs/dbraw/zinc/37/91/04/1040379104.db2.gz GNVIDLLVUPQRBF-UHFFFAOYSA-N 2 2 349.400 4.016 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC1 ZINC000539409800 1040422271 /nfs/dbraw/zinc/42/22/71/1040422271.db2.gz DJGSAXZWLFTEIH-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC1 ZINC000539409800 1040422278 /nfs/dbraw/zinc/42/22/78/1040422278.db2.gz DJGSAXZWLFTEIH-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997108 1040413781 /nfs/dbraw/zinc/41/37/81/1040413781.db2.gz XGVBYNBTSUFPLS-CYBMUJFWSA-N 2 2 332.797 4.123 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668169401 1040597677 /nfs/dbraw/zinc/59/76/77/1040597677.db2.gz QGKNXWLCJAARAV-UHFFFAOYSA-N 2 2 345.462 4.038 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668169401 1040597694 /nfs/dbraw/zinc/59/76/94/1040597694.db2.gz QGKNXWLCJAARAV-UHFFFAOYSA-N 2 2 345.462 4.038 20 0 EIADLP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000539657846 1040659200 /nfs/dbraw/zinc/65/92/00/1040659200.db2.gz BMTAQKDCOABOAC-IEBWSBKVSA-N 2 2 338.499 4.012 20 0 EIADLP Cc1cc(C)cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539660052 1040664890 /nfs/dbraw/zinc/66/48/90/1040664890.db2.gz SSRCGBNKODIHDR-PXNSSMCTSA-N 2 2 338.499 4.012 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924728389 1040681405 /nfs/dbraw/zinc/68/14/05/1040681405.db2.gz FKIWJNJRJZVMQD-JKSUJKDBSA-N 2 2 332.879 4.013 20 0 EIADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000435881606 1040685473 /nfs/dbraw/zinc/68/54/73/1040685473.db2.gz VPZVYSFXAQPOHY-KRWDZBQOSA-N 2 2 327.472 4.211 20 0 EIADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000435881606 1040685484 /nfs/dbraw/zinc/68/54/84/1040685484.db2.gz VPZVYSFXAQPOHY-KRWDZBQOSA-N 2 2 327.472 4.211 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483125321 1040718310 /nfs/dbraw/zinc/71/83/10/1040718310.db2.gz JDRLOOYSGGHYNB-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP CCCCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000539818837 1040812352 /nfs/dbraw/zinc/81/23/52/1040812352.db2.gz BGXVRPAHYFSAAE-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000539818837 1040812355 /nfs/dbraw/zinc/81/23/55/1040812355.db2.gz BGXVRPAHYFSAAE-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000539818837 1040812357 /nfs/dbraw/zinc/81/23/57/1040812357.db2.gz BGXVRPAHYFSAAE-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000539818837 1040812361 /nfs/dbraw/zinc/81/23/61/1040812361.db2.gz BGXVRPAHYFSAAE-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc2ccccc12 ZINC000483478403 1040873198 /nfs/dbraw/zinc/87/31/98/1040873198.db2.gz UAVANHZSCMMICR-BEFAXECRSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc2ccccc12 ZINC000483478403 1040873203 /nfs/dbraw/zinc/87/32/03/1040873203.db2.gz UAVANHZSCMMICR-BEFAXECRSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478403 1040873211 /nfs/dbraw/zinc/87/32/11/1040873211.db2.gz UAVANHZSCMMICR-BEFAXECRSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478403 1040873212 /nfs/dbraw/zinc/87/32/12/1040873212.db2.gz UAVANHZSCMMICR-BEFAXECRSA-N 2 2 343.902 4.113 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCOCC1 ZINC000537948647 1040913449 /nfs/dbraw/zinc/91/34/49/1040913449.db2.gz WBKLRMYTJRVXSD-SFTDATJTSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000462805139 1040970732 /nfs/dbraw/zinc/97/07/32/1040970732.db2.gz MJTAMGJJFYDZKO-HZPDHXFCSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000462805139 1040970750 /nfs/dbraw/zinc/97/07/50/1040970750.db2.gz MJTAMGJJFYDZKO-HZPDHXFCSA-N 2 2 327.516 4.296 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCC)c1 ZINC000483717595 1040973802 /nfs/dbraw/zinc/97/38/02/1040973802.db2.gz XUGYFHSQBQDULL-BZSNNMDCSA-N 2 2 348.531 4.398 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCC)c1 ZINC000483717595 1040973827 /nfs/dbraw/zinc/97/38/27/1040973827.db2.gz XUGYFHSQBQDULL-BZSNNMDCSA-N 2 2 348.531 4.398 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721765 1040974017 /nfs/dbraw/zinc/97/40/17/1040974017.db2.gz ITQCGDZBSZDJID-NTZNESFSSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721765 1040974039 /nfs/dbraw/zinc/97/40/39/1040974039.db2.gz ITQCGDZBSZDJID-NTZNESFSSA-N 2 2 332.822 4.075 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483713723 1040984991 /nfs/dbraw/zinc/98/49/91/1040984991.db2.gz NNGJJDJMGOZXBT-MPGHIAIKSA-N 2 2 343.540 4.176 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483713723 1040985008 /nfs/dbraw/zinc/98/50/08/1040985008.db2.gz NNGJJDJMGOZXBT-MPGHIAIKSA-N 2 2 343.540 4.176 20 0 EIADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000480144606 1041002511 /nfs/dbraw/zinc/00/25/11/1041002511.db2.gz WSQRKFXNYIJUFE-MRXNPFEDSA-N 2 2 329.513 4.337 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](c1cccnc1)C(C)C)c1ccccc1 ZINC000538060565 1041031978 /nfs/dbraw/zinc/03/19/78/1041031978.db2.gz NNKYZICGTMYVAD-NHCUHLMSSA-N 2 2 325.500 4.451 20 0 EIADLP c1cc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000668277250 1041053242 /nfs/dbraw/zinc/05/32/42/1041053242.db2.gz CGOFEQZGIPYNPE-OAQYLSRUSA-N 2 2 342.446 4.161 20 0 EIADLP c1cc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000668277250 1041053262 /nfs/dbraw/zinc/05/32/62/1041053262.db2.gz CGOFEQZGIPYNPE-OAQYLSRUSA-N 2 2 342.446 4.161 20 0 EIADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000554375592 1041062141 /nfs/dbraw/zinc/06/21/41/1041062141.db2.gz SEGPSLKULUCISA-SSHXOBKSSA-N 2 2 332.454 4.206 20 0 EIADLP CC[C@H]([NH2+]CC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)c1cnn(C)c1 ZINC000484128113 1041125418 /nfs/dbraw/zinc/12/54/18/1041125418.db2.gz IMAZNXRDVGWVJZ-PXNSSMCTSA-N 2 2 342.531 4.370 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000480281257 1041177894 /nfs/dbraw/zinc/17/78/94/1041177894.db2.gz WARPCGIUABXSSJ-JOCHJYFZSA-N 2 2 337.511 4.207 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000480281257 1041177912 /nfs/dbraw/zinc/17/79/12/1041177912.db2.gz WARPCGIUABXSSJ-JOCHJYFZSA-N 2 2 337.511 4.207 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000484306400 1041190527 /nfs/dbraw/zinc/19/05/27/1041190527.db2.gz WPXAPDOBMHOKAL-DYXWJJEUSA-N 2 2 331.548 4.488 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000484306400 1041190543 /nfs/dbraw/zinc/19/05/43/1041190543.db2.gz WPXAPDOBMHOKAL-DYXWJJEUSA-N 2 2 331.548 4.488 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1Br ZINC000484495121 1041304339 /nfs/dbraw/zinc/30/43/39/1041304339.db2.gz PYUNBOZGNLBGJP-UBHSHLNASA-N 2 2 343.284 4.112 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2cccc(Br)c21 ZINC000480605453 1041428577 /nfs/dbraw/zinc/42/85/77/1041428577.db2.gz BGFGVMPHZWIWGY-VDNDLQMASA-N 2 2 349.316 4.214 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2cccc(Br)c21 ZINC000480605453 1041428585 /nfs/dbraw/zinc/42/85/85/1041428585.db2.gz BGFGVMPHZWIWGY-VDNDLQMASA-N 2 2 349.316 4.214 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000480604401 1041429038 /nfs/dbraw/zinc/42/90/38/1041429038.db2.gz BFFUWFVSBCMDRW-YTQUADARSA-N 2 2 346.515 4.152 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000480604401 1041429041 /nfs/dbraw/zinc/42/90/41/1041429041.db2.gz BFFUWFVSBCMDRW-YTQUADARSA-N 2 2 346.515 4.152 20 0 EIADLP Fc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)o2)c1F ZINC000480639507 1041452552 /nfs/dbraw/zinc/45/25/52/1041452552.db2.gz GASIFZZVYMJROV-UHFFFAOYSA-N 2 2 346.421 4.331 20 0 EIADLP CCCOc1c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718798 1041487405 /nfs/dbraw/zinc/48/74/05/1041487405.db2.gz OKBDZLBUNZIYGN-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718798 1041487410 /nfs/dbraw/zinc/48/74/10/1041487410.db2.gz OKBDZLBUNZIYGN-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718798 1041487412 /nfs/dbraw/zinc/48/74/12/1041487412.db2.gz OKBDZLBUNZIYGN-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cccc1OCC ZINC000538718798 1041487416 /nfs/dbraw/zinc/48/74/16/1041487416.db2.gz OKBDZLBUNZIYGN-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730024 1041500653 /nfs/dbraw/zinc/50/06/53/1041500653.db2.gz YVYNDVXWZYBXRG-MRXNPFEDSA-N 2 2 334.916 4.355 20 0 EIADLP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730024 1041500664 /nfs/dbraw/zinc/50/06/64/1041500664.db2.gz YVYNDVXWZYBXRG-MRXNPFEDSA-N 2 2 334.916 4.355 20 0 EIADLP C[NH+](Cc1ccc(Cl)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730024 1041500682 /nfs/dbraw/zinc/50/06/82/1041500682.db2.gz YVYNDVXWZYBXRG-MRXNPFEDSA-N 2 2 334.916 4.355 20 0 EIADLP C[NH+](Cc1ccc(Cl)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730024 1041500689 /nfs/dbraw/zinc/50/06/89/1041500689.db2.gz YVYNDVXWZYBXRG-MRXNPFEDSA-N 2 2 334.916 4.355 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000480750010 1041507112 /nfs/dbraw/zinc/50/71/12/1041507112.db2.gz MDHJKBCWNIAHTN-QZTJIDSGSA-N 2 2 335.451 4.201 20 0 EIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000437081323 1041628475 /nfs/dbraw/zinc/62/84/75/1041628475.db2.gz GNEHNCDPBMYALT-XAUMDUMWSA-N 2 2 346.490 4.282 20 0 EIADLP Fc1ccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000540752243 1041640571 /nfs/dbraw/zinc/64/05/71/1041640571.db2.gz CQGKEHWEVWBDBG-UHFFFAOYSA-N 2 2 338.470 4.112 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809884 1041771994 /nfs/dbraw/zinc/77/19/94/1041771994.db2.gz AMADFQBSMHULST-SJORKVTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809884 1041772002 /nfs/dbraw/zinc/77/20/02/1041772002.db2.gz AMADFQBSMHULST-SJORKVTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809884 1041772011 /nfs/dbraw/zinc/77/20/11/1041772011.db2.gz AMADFQBSMHULST-SJORKVTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809884 1041772016 /nfs/dbraw/zinc/77/20/16/1041772016.db2.gz AMADFQBSMHULST-SJORKVTESA-N 2 2 328.456 4.377 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516897029 1041806060 /nfs/dbraw/zinc/80/60/60/1041806060.db2.gz XVRBYYBCLDKVJJ-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936779 1041985975 /nfs/dbraw/zinc/98/59/75/1041985975.db2.gz JPVZDYSRRQHCGK-VQTJNVASSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936779 1041985994 /nfs/dbraw/zinc/98/59/94/1041985994.db2.gz JPVZDYSRRQHCGK-VQTJNVASSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@H](c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(F)(F)F ZINC000517387883 1042000839 /nfs/dbraw/zinc/00/08/39/1042000839.db2.gz OULRQPKAOIGLST-XOKHGSTOSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@H](c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(F)(F)F ZINC000517387883 1042000846 /nfs/dbraw/zinc/00/08/46/1042000846.db2.gz OULRQPKAOIGLST-XOKHGSTOSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@H](c1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1)C(F)(F)F ZINC000517387883 1042000856 /nfs/dbraw/zinc/00/08/56/1042000856.db2.gz OULRQPKAOIGLST-XOKHGSTOSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@H](c1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1)C(F)(F)F ZINC000517387883 1042000867 /nfs/dbraw/zinc/00/08/67/1042000867.db2.gz OULRQPKAOIGLST-XOKHGSTOSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1sccc1Br)[NH+]1CCCCC1 ZINC000541557550 1042013162 /nfs/dbraw/zinc/01/31/62/1042013162.db2.gz PDYPPDIQRGEEHE-STQMWFEESA-N 2 2 345.350 4.426 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000464771803 1042150379 /nfs/dbraw/zinc/15/03/79/1042150379.db2.gz GYQDKWWGZRSQJJ-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000464771803 1042150383 /nfs/dbraw/zinc/15/03/83/1042150383.db2.gz GYQDKWWGZRSQJJ-CQSZACIVSA-N 2 2 345.314 4.036 20 0 EIADLP C[C@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876466 1042216980 /nfs/dbraw/zinc/21/69/80/1042216980.db2.gz GKLPGVYXVSXKMZ-VQTJNVASSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@H]1CCC[C@H](CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876466 1042216983 /nfs/dbraw/zinc/21/69/83/1042216983.db2.gz GKLPGVYXVSXKMZ-VQTJNVASSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294273 1042527993 /nfs/dbraw/zinc/52/79/93/1042527993.db2.gz SVMVVALVJIMJGG-XFQAVAEZSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294273 1042527997 /nfs/dbraw/zinc/52/79/97/1042527997.db2.gz SVMVVALVJIMJGG-XFQAVAEZSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000173434140 1042572935 /nfs/dbraw/zinc/57/29/35/1042572935.db2.gz MIIUGACFOAMCMQ-MOPGFXCFSA-N 2 2 338.495 4.237 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467312517 1042879654 /nfs/dbraw/zinc/87/96/54/1042879654.db2.gz FVLWAJYUNZFWIK-IBGZPJMESA-N 2 2 348.494 4.045 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467312517 1042879657 /nfs/dbraw/zinc/87/96/57/1042879657.db2.gz FVLWAJYUNZFWIK-IBGZPJMESA-N 2 2 348.494 4.045 20 0 EIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nc2ccccc2o1 ZINC000184745151 1043010847 /nfs/dbraw/zinc/01/08/47/1043010847.db2.gz HCYIBNKXSIVQDB-IAGOWNOFSA-N 2 2 349.478 4.074 20 0 EIADLP C[C@H](c1cc2cnccc2o1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114285 1043034956 /nfs/dbraw/zinc/03/49/56/1043034956.db2.gz KNVWTYVXTCTEFY-DJIMGWMZSA-N 2 2 336.439 4.060 20 0 EIADLP C[C@@H](c1cc2cnccc2o1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114286 1043035180 /nfs/dbraw/zinc/03/51/80/1043035180.db2.gz KNVWTYVXTCTEFY-XIRDDKMYSA-N 2 2 336.439 4.060 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(c1ccccc1)c1ccccc1 ZINC000427896460 1043243329 /nfs/dbraw/zinc/24/33/29/1043243329.db2.gz PKZRKCBMQOIDKC-YLJYHZDGSA-N 2 2 331.463 4.008 20 0 EIADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657981483 1043302513 /nfs/dbraw/zinc/30/25/13/1043302513.db2.gz ROVRRCUVJKFGEG-FUHIMQAGSA-N 2 2 325.500 4.178 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428229721 1043392816 /nfs/dbraw/zinc/39/28/16/1043392816.db2.gz FUZIMCOEMCGPQW-AEFFLSMTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428229721 1043392825 /nfs/dbraw/zinc/39/28/25/1043392825.db2.gz FUZIMCOEMCGPQW-AEFFLSMTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000428229721 1043392839 /nfs/dbraw/zinc/39/28/39/1043392839.db2.gz FUZIMCOEMCGPQW-AEFFLSMTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000428229721 1043392850 /nfs/dbraw/zinc/39/28/50/1043392850.db2.gz FUZIMCOEMCGPQW-AEFFLSMTSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428229722 1043393340 /nfs/dbraw/zinc/39/33/40/1043393340.db2.gz FUZIMCOEMCGPQW-FUHWJXTLSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428229722 1043393343 /nfs/dbraw/zinc/39/33/43/1043393343.db2.gz FUZIMCOEMCGPQW-FUHWJXTLSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428229722 1043393344 /nfs/dbraw/zinc/39/33/44/1043393344.db2.gz FUZIMCOEMCGPQW-FUHWJXTLSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428229722 1043393346 /nfs/dbraw/zinc/39/33/46/1043393346.db2.gz FUZIMCOEMCGPQW-FUHWJXTLSA-N 2 2 333.520 4.022 20 0 EIADLP Cc1nc2ccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc2s1 ZINC000494312448 1043405466 /nfs/dbraw/zinc/40/54/66/1043405466.db2.gz NNBZTXSGRGQQRN-UHFFFAOYSA-N 2 2 334.448 4.080 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1sccc1C)c1ccccc1 ZINC000165992000 1043428960 /nfs/dbraw/zinc/42/89/60/1043428960.db2.gz QHZHLILGRDTNRI-IEBWSBKVSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1sccc1C)c1ccccc1 ZINC000165992000 1043428967 /nfs/dbraw/zinc/42/89/67/1043428967.db2.gz QHZHLILGRDTNRI-IEBWSBKVSA-N 2 2 346.540 4.417 20 0 EIADLP Clc1cccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000494426560 1043476330 /nfs/dbraw/zinc/47/63/30/1043476330.db2.gz QDZBYOZEAOBGHR-OAHLLOKOSA-N 2 2 343.883 4.370 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(Sc3ccccc3)cc1)CC2 ZINC000494430676 1043476799 /nfs/dbraw/zinc/47/67/99/1043476799.db2.gz NCYQNRDFEWVNAK-QGZVFWFLSA-N 2 2 335.476 4.139 20 0 EIADLP C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338796983 1043511246 /nfs/dbraw/zinc/51/12/46/1043511246.db2.gz WOACEQYOMIESBA-ZACQAIPSSA-N 2 2 327.472 4.117 20 0 EIADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC000544348287 1043753748 /nfs/dbraw/zinc/75/37/48/1043753748.db2.gz FQSMPPYIAGXTLR-UHFFFAOYSA-N 2 2 329.444 4.484 20 0 EIADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC000544348287 1043753777 /nfs/dbraw/zinc/75/37/77/1043753777.db2.gz FQSMPPYIAGXTLR-UHFFFAOYSA-N 2 2 329.444 4.484 20 0 EIADLP c1ccc([C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[NH+]2CCCC2)cc1 ZINC000442643569 1043791486 /nfs/dbraw/zinc/79/14/86/1043791486.db2.gz GLTTWJFPTYCPKN-JPYJTQIMSA-N 2 2 345.490 4.062 20 0 EIADLP COc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073205 1043800569 /nfs/dbraw/zinc/80/05/69/1043800569.db2.gz VKJCUXPJNGGWAH-WMZOPIPTSA-N 2 2 327.472 4.215 20 0 EIADLP COc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073205 1043800572 /nfs/dbraw/zinc/80/05/72/1043800572.db2.gz VKJCUXPJNGGWAH-WMZOPIPTSA-N 2 2 327.472 4.215 20 0 EIADLP CCCCCC[N@H+](C)CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000732275639 1043892825 /nfs/dbraw/zinc/89/28/25/1043892825.db2.gz FQPMJKVYVHKZIB-UHFFFAOYSA-N 2 2 342.487 4.144 20 0 EIADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000732275639 1043892827 /nfs/dbraw/zinc/89/28/27/1043892827.db2.gz FQPMJKVYVHKZIB-UHFFFAOYSA-N 2 2 342.487 4.144 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(C)(C)C ZINC000443193763 1044081160 /nfs/dbraw/zinc/08/11/60/1044081160.db2.gz NCWXCQVHMQWACG-HBFSDRIKSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(C)(C)C ZINC000443193763 1044081180 /nfs/dbraw/zinc/08/11/80/1044081180.db2.gz NCWXCQVHMQWACG-HBFSDRIKSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Br)cs1 ZINC000194071032 1044249072 /nfs/dbraw/zinc/24/90/72/1044249072.db2.gz SSMAYTROOFVVTR-LLVKDONJSA-N 2 2 340.290 4.058 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623903328 1044313613 /nfs/dbraw/zinc/31/36/13/1044313613.db2.gz CGQZOJHGDAILDI-DYVFJYSZSA-N 2 2 338.480 4.365 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348014073 1044364235 /nfs/dbraw/zinc/36/42/35/1044364235.db2.gz WJXMCZVRUMQSRY-SOLBZPMBSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348014073 1044364253 /nfs/dbraw/zinc/36/42/53/1044364253.db2.gz WJXMCZVRUMQSRY-SOLBZPMBSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1 ZINC000348048583 1044375383 /nfs/dbraw/zinc/37/53/83/1044375383.db2.gz VTDWQVCUHOGCMK-OAHLLOKOSA-N 2 2 345.450 4.216 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280256 1044387719 /nfs/dbraw/zinc/38/77/19/1044387719.db2.gz MNMSSEXCIIEZCS-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280256 1044387707 /nfs/dbraw/zinc/38/77/07/1044387707.db2.gz MNMSSEXCIIEZCS-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280256 1044387729 /nfs/dbraw/zinc/38/77/29/1044387729.db2.gz MNMSSEXCIIEZCS-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280256 1044387741 /nfs/dbraw/zinc/38/77/41/1044387741.db2.gz MNMSSEXCIIEZCS-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359083139 1044443038 /nfs/dbraw/zinc/44/30/38/1044443038.db2.gz OWZXDKOFTVIBKH-KVULBXGLSA-N 2 2 336.932 4.483 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400629 1044517359 /nfs/dbraw/zinc/51/73/59/1044517359.db2.gz HLIJUDGVFWGVHC-UTKZUKDTSA-N 2 2 341.474 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400629 1044517375 /nfs/dbraw/zinc/51/73/75/1044517375.db2.gz HLIJUDGVFWGVHC-UTKZUKDTSA-N 2 2 341.474 4.020 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)ccc1F ZINC000675918823 1044559646 /nfs/dbraw/zinc/55/96/46/1044559646.db2.gz GUZIOLFDAIMHRC-KUHUBIRLSA-N 2 2 341.405 4.333 20 0 EIADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919200 1044561571 /nfs/dbraw/zinc/56/15/71/1044561571.db2.gz LFMVUOOBOZMSMX-YLJYHZDGSA-N 2 2 349.478 4.453 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920476 1044563886 /nfs/dbraw/zinc/56/38/86/1044563886.db2.gz RVKUANQJTKTTKF-UZLBHIALSA-N 2 2 335.451 4.063 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OC)cc1 ZINC000675922678 1044564243 /nfs/dbraw/zinc/56/42/43/1044564243.db2.gz PWVQBFZYXAVEHA-NHCUHLMSSA-N 2 2 349.478 4.453 20 0 EIADLP FC(F)(F)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000428875788 1044802572 /nfs/dbraw/zinc/80/25/72/1044802572.db2.gz HGONIDXFULIGPU-UHFFFAOYSA-N 2 2 329.391 4.144 20 0 EIADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)sc2c1 ZINC000428885999 1044819853 /nfs/dbraw/zinc/81/98/53/1044819853.db2.gz YDXNALVYZYGSQX-UHFFFAOYSA-N 2 2 347.503 4.322 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105212 1044849556 /nfs/dbraw/zinc/84/95/56/1044849556.db2.gz VTRBHASTIXXGRO-DOTOQJQBSA-N 2 2 336.439 4.016 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105212 1044849558 /nfs/dbraw/zinc/84/95/58/1044849558.db2.gz VTRBHASTIXXGRO-DOTOQJQBSA-N 2 2 336.439 4.016 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000508990316 1044877589 /nfs/dbraw/zinc/87/75/89/1044877589.db2.gz JHYZNPIETOEZQJ-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000508990316 1044877592 /nfs/dbraw/zinc/87/75/92/1044877592.db2.gz JHYZNPIETOEZQJ-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508990316 1044877597 /nfs/dbraw/zinc/87/75/97/1044877597.db2.gz JHYZNPIETOEZQJ-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508990316 1044877601 /nfs/dbraw/zinc/87/76/01/1044877601.db2.gz JHYZNPIETOEZQJ-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000766216907 1044918442 /nfs/dbraw/zinc/91/84/42/1044918442.db2.gz VWVRFWABJSZGOG-UHFFFAOYSA-N 2 2 344.449 4.070 20 0 EIADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000922885034 1045055461 /nfs/dbraw/zinc/05/54/61/1045055461.db2.gz YYKBVMLTVVTKRZ-YYWHXJBOSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000922885034 1045055474 /nfs/dbraw/zinc/05/54/74/1045055474.db2.gz YYKBVMLTVVTKRZ-YYWHXJBOSA-N 2 2 335.495 4.102 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000347922390 1045143063 /nfs/dbraw/zinc/14/30/63/1045143063.db2.gz OEEUACKJDZNJQA-KURKYZTESA-N 2 2 340.515 4.094 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237096049 1045374688 /nfs/dbraw/zinc/37/46/88/1045374688.db2.gz PBHXJFHASWTJJG-UHFFFAOYSA-N 2 2 336.907 4.235 20 0 EIADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237309628 1045381725 /nfs/dbraw/zinc/38/17/25/1045381725.db2.gz RQIFXLXVCGONAH-PGRDOPGGSA-N 2 2 338.495 4.140 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000742388685 1045660792 /nfs/dbraw/zinc/66/07/92/1045660792.db2.gz REXISGHALWUEOL-OAQYLSRUSA-N 2 2 342.446 4.042 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000248424744 1045872643 /nfs/dbraw/zinc/87/26/43/1045872643.db2.gz IQTGSFQRXCQUCO-UEXGIBASSA-N 2 2 327.516 4.189 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000769189837 1045884118 /nfs/dbraw/zinc/88/41/18/1045884118.db2.gz SCKIYJISVLGTIR-UHFFFAOYSA-N 2 2 341.402 4.401 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000248838238 1045886052 /nfs/dbraw/zinc/88/60/52/1045886052.db2.gz NJPCGHWSXDQRGS-DNVCBOLYSA-N 2 2 345.437 4.019 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000248838238 1045886064 /nfs/dbraw/zinc/88/60/64/1045886064.db2.gz NJPCGHWSXDQRGS-DNVCBOLYSA-N 2 2 345.437 4.019 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170290603 1045994530 /nfs/dbraw/zinc/99/45/30/1045994530.db2.gz DHLFLABGLULSHA-WBVHZDCISA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170290603 1045994546 /nfs/dbraw/zinc/99/45/46/1045994546.db2.gz DHLFLABGLULSHA-WBVHZDCISA-N 2 2 330.859 4.128 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328249749 1045997862 /nfs/dbraw/zinc/99/78/62/1045997862.db2.gz SIMUUAXZGXHLMQ-YJBOKZPZSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328249749 1045997882 /nfs/dbraw/zinc/99/78/82/1045997882.db2.gz SIMUUAXZGXHLMQ-YJBOKZPZSA-N 2 2 344.886 4.046 20 0 EIADLP Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c2cc[nH]c21 ZINC001170337527 1046017011 /nfs/dbraw/zinc/01/70/11/1046017011.db2.gz UBBBWHUZXBWEFQ-LDLYASANSA-N 2 2 346.478 4.479 20 0 EIADLP Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c2cc[nH]c21 ZINC001170337527 1046017024 /nfs/dbraw/zinc/01/70/24/1046017024.db2.gz UBBBWHUZXBWEFQ-LDLYASANSA-N 2 2 346.478 4.479 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)o1 ZINC000124898881 1046272932 /nfs/dbraw/zinc/27/29/32/1046272932.db2.gz AVYJYRJGDPHDHV-KRWDZBQOSA-N 2 2 326.484 4.254 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000536661958 1046632540 /nfs/dbraw/zinc/63/25/40/1046632540.db2.gz JKENQNLPXJFYDB-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000536661958 1046632546 /nfs/dbraw/zinc/63/25/46/1046632546.db2.gz JKENQNLPXJFYDB-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536661958 1046632558 /nfs/dbraw/zinc/63/25/58/1046632558.db2.gz JKENQNLPXJFYDB-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536661958 1046632584 /nfs/dbraw/zinc/63/25/84/1046632584.db2.gz JKENQNLPXJFYDB-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459452680 1046680257 /nfs/dbraw/zinc/68/02/57/1046680257.db2.gz RVNCELLYZLVDJW-XJABCFGWSA-N 2 2 335.495 4.000 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000785569953 1046720362 /nfs/dbraw/zinc/72/03/62/1046720362.db2.gz LZFWODSJUIFTOC-MSOLQXFVSA-N 2 2 329.532 4.280 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC000379631643 1046733078 /nfs/dbraw/zinc/73/30/78/1046733078.db2.gz RQNAXJMCCLRDPN-DBVUQKKJSA-N 2 2 341.474 4.315 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC000379631643 1046733094 /nfs/dbraw/zinc/73/30/94/1046733094.db2.gz RQNAXJMCCLRDPN-DBVUQKKJSA-N 2 2 341.474 4.315 20 0 EIADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CCS2 ZINC000786576853 1046852533 /nfs/dbraw/zinc/85/25/33/1046852533.db2.gz CNRJIDPKJAJRKL-AEFFLSMTSA-N 2 2 345.512 4.133 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000536962113 1046869855 /nfs/dbraw/zinc/86/98/55/1046869855.db2.gz AXWBUKLKNZPSDP-QFIPXVFZSA-N 2 2 349.453 4.354 20 0 EIADLP CC(C)CCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001170069074 1046925990 /nfs/dbraw/zinc/92/59/90/1046925990.db2.gz LBSDGGGTVBNELO-BBRMVZONSA-N 2 2 327.310 4.253 20 0 EIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000537103787 1046931524 /nfs/dbraw/zinc/93/15/24/1046931524.db2.gz QDFWKMKCKLMCQM-QFIPXVFZSA-N 2 2 338.495 4.167 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083949 1047157161 /nfs/dbraw/zinc/15/71/61/1047157161.db2.gz ZTQBDTPUJZZKGZ-KSZLIROESA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001170083949 1047157198 /nfs/dbraw/zinc/15/71/98/1047157198.db2.gz ZTQBDTPUJZZKGZ-KSZLIROESA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083949 1047157169 /nfs/dbraw/zinc/15/71/69/1047157169.db2.gz ZTQBDTPUJZZKGZ-KSZLIROESA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001170083949 1047157191 /nfs/dbraw/zinc/15/71/91/1047157191.db2.gz ZTQBDTPUJZZKGZ-KSZLIROESA-N 2 2 335.561 4.254 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C(C)(C)C)CC2)cc1 ZINC000806142773 1047169087 /nfs/dbraw/zinc/16/90/87/1047169087.db2.gz QQUBCJMNUUEAEG-PMACEKPBSA-N 2 2 329.532 4.136 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480177 1047198069 /nfs/dbraw/zinc/19/80/69/1047198069.db2.gz JKCNLZACDWABQF-KRWDZBQOSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480177 1047198074 /nfs/dbraw/zinc/19/80/74/1047198074.db2.gz JKCNLZACDWABQF-KRWDZBQOSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480177 1047198097 /nfs/dbraw/zinc/19/80/97/1047198097.db2.gz JKCNLZACDWABQF-KRWDZBQOSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2c(Cl)n1 ZINC000788480177 1047198085 /nfs/dbraw/zinc/19/80/85/1047198085.db2.gz JKCNLZACDWABQF-KRWDZBQOSA-N 2 2 331.891 4.194 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057310 1047872829 /nfs/dbraw/zinc/87/28/29/1047872829.db2.gz AMJJTDVBMCOCEY-IRXDYDNUSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057310 1047872834 /nfs/dbraw/zinc/87/28/34/1047872834.db2.gz AMJJTDVBMCOCEY-IRXDYDNUSA-N 2 2 342.870 4.054 20 0 EIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081955 1048073446 /nfs/dbraw/zinc/07/34/46/1048073446.db2.gz HFIUCJLBSNZKTC-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081955 1048073467 /nfs/dbraw/zinc/07/34/67/1048073467.db2.gz HFIUCJLBSNZKTC-INIZCTEOSA-N 2 2 341.326 4.267 20 0 EIADLP Cc1c(F)cc(F)cc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001143770003 1048188081 /nfs/dbraw/zinc/18/80/81/1048188081.db2.gz ZFHPYZDOEZKSLL-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP Cc1c(F)cc(F)cc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001143770003 1048188091 /nfs/dbraw/zinc/18/80/91/1048188091.db2.gz ZFHPYZDOEZKSLL-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132123530 1048209068 /nfs/dbraw/zinc/20/90/68/1048209068.db2.gz OSROWEHAHUYSIX-INIZCTEOSA-N 2 2 325.481 4.195 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1C ZINC000132140359 1048211106 /nfs/dbraw/zinc/21/11/06/1048211106.db2.gz RTQRMFNEFNSOFJ-LJQANCHMSA-N 2 2 333.479 4.442 20 0 EIADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC001143801853 1048211869 /nfs/dbraw/zinc/21/18/69/1048211869.db2.gz ZJGSRGLADFPLCD-UHFFFAOYSA-N 2 2 333.690 4.174 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000132151753 1048214614 /nfs/dbraw/zinc/21/46/14/1048214614.db2.gz POGASMOHYMRSGP-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559216 1048401639 /nfs/dbraw/zinc/40/16/39/1048401639.db2.gz JYGQGEFNNNBOJH-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559216 1048401648 /nfs/dbraw/zinc/40/16/48/1048401648.db2.gz JYGQGEFNNNBOJH-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559216 1048401659 /nfs/dbraw/zinc/40/16/59/1048401659.db2.gz JYGQGEFNNNBOJH-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(Cl)c3)C2)s1 ZINC000809559216 1048401669 /nfs/dbraw/zinc/40/16/69/1048401669.db2.gz JYGQGEFNNNBOJH-INIZCTEOSA-N 2 2 349.931 4.059 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171147675 1048483473 /nfs/dbraw/zinc/48/34/73/1048483473.db2.gz IPTGKOSULWKKOE-CABCVRRESA-N 2 2 339.310 4.067 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171147675 1048483485 /nfs/dbraw/zinc/48/34/85/1048483485.db2.gz IPTGKOSULWKKOE-CABCVRRESA-N 2 2 339.310 4.067 20 0 EIADLP Clc1ncccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810178715 1048668519 /nfs/dbraw/zinc/66/85/19/1048668519.db2.gz YUTNICHYVKOBRG-SFHVURJKSA-N 2 2 343.902 4.127 20 0 EIADLP Clc1ncccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810178715 1048668523 /nfs/dbraw/zinc/66/85/23/1048668523.db2.gz YUTNICHYVKOBRG-SFHVURJKSA-N 2 2 343.902 4.127 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000237369955 1048931050 /nfs/dbraw/zinc/93/10/50/1048931050.db2.gz XOWUKMWCRFVOSE-GJYPPUQNSA-N 2 2 344.524 4.466 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000237369955 1048931066 /nfs/dbraw/zinc/93/10/66/1048931066.db2.gz XOWUKMWCRFVOSE-GJYPPUQNSA-N 2 2 344.524 4.466 20 0 EIADLP Cc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c[nH+]c1C ZINC001170646377 1049303586 /nfs/dbraw/zinc/30/35/86/1049303586.db2.gz REUSFYLLLMXQEH-IJZHQTRZSA-N 2 2 335.495 4.331 20 0 EIADLP CC(C)CC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000812837570 1049604445 /nfs/dbraw/zinc/60/44/45/1049604445.db2.gz GECSDXXVMSHQLC-UHFFFAOYSA-N 2 2 329.532 4.137 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000037156177 1049662959 /nfs/dbraw/zinc/66/29/59/1049662959.db2.gz GGPDSCJVHKVEKC-HNNXBMFYSA-N 2 2 326.271 4.394 20 0 EIADLP Cc1cnc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716700841 1049700344 /nfs/dbraw/zinc/70/03/44/1049700344.db2.gz QEMFAHHRNWZWRP-LULLPPNCSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cnc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716700841 1049700356 /nfs/dbraw/zinc/70/03/56/1049700356.db2.gz QEMFAHHRNWZWRP-LULLPPNCSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716696066 1049702219 /nfs/dbraw/zinc/70/22/19/1049702219.db2.gz BIBKEYPUCHNRGJ-KANFNMMFSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716696066 1049702232 /nfs/dbraw/zinc/70/22/32/1049702232.db2.gz BIBKEYPUCHNRGJ-KANFNMMFSA-N 2 2 341.524 4.155 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(F)c(Cl)c2F)CC1(C)C ZINC001171621873 1049767011 /nfs/dbraw/zinc/76/70/11/1049767011.db2.gz RDJCVULQAACRAI-UHFFFAOYSA-N 2 2 330.850 4.359 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245698976 1049832760 /nfs/dbraw/zinc/83/27/60/1049832760.db2.gz CVPGUDYOJFUGJV-RDJZCZTQSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245698976 1049832761 /nfs/dbraw/zinc/83/27/61/1049832761.db2.gz CVPGUDYOJFUGJV-RDJZCZTQSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245698976 1049832768 /nfs/dbraw/zinc/83/27/68/1049832768.db2.gz CVPGUDYOJFUGJV-RDJZCZTQSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245698976 1049832769 /nfs/dbraw/zinc/83/27/69/1049832769.db2.gz CVPGUDYOJFUGJV-RDJZCZTQSA-N 2 2 330.447 4.309 20 0 EIADLP CC1(C)C[C@@H]([NH2+]C2(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171973326 1049836020 /nfs/dbraw/zinc/83/60/20/1049836020.db2.gz XRUYAXGLRVUXED-IBGZPJMESA-N 2 2 335.495 4.104 20 0 EIADLP CC1(C)C[C@@H]([NH2+]C2(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171973326 1049836024 /nfs/dbraw/zinc/83/60/24/1049836024.db2.gz XRUYAXGLRVUXED-IBGZPJMESA-N 2 2 335.495 4.104 20 0 EIADLP CC[C@H](C)OCC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327955 1049886037 /nfs/dbraw/zinc/88/60/37/1049886037.db2.gz AENGEPFONOVMPI-OALUTQOASA-N 2 2 332.532 4.177 20 0 EIADLP CC[C@H](C)OCC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327955 1049886041 /nfs/dbraw/zinc/88/60/41/1049886041.db2.gz AENGEPFONOVMPI-OALUTQOASA-N 2 2 332.532 4.177 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172359714 1049895624 /nfs/dbraw/zinc/89/56/24/1049895624.db2.gz NHSAEIGPZTWBSO-MBOZVWFJSA-N 2 2 330.516 4.074 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)c1 ZINC001172364759 1049896363 /nfs/dbraw/zinc/89/63/63/1049896363.db2.gz AQCKTGNSWJTPIN-ABSDTBQOSA-N 2 2 330.516 4.074 20 0 EIADLP CC(C)COCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172463019 1049917492 /nfs/dbraw/zinc/91/74/92/1049917492.db2.gz IJYVYUNAIQHVQW-BVYCBKJFSA-N 2 2 340.511 4.469 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246931614 1050006649 /nfs/dbraw/zinc/00/66/49/1050006649.db2.gz NGYHKTWMMOXCAA-PKOBYXMFSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000246931614 1050006656 /nfs/dbraw/zinc/00/66/56/1050006656.db2.gz NGYHKTWMMOXCAA-PKOBYXMFSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246931614 1050006658 /nfs/dbraw/zinc/00/66/58/1050006658.db2.gz NGYHKTWMMOXCAA-PKOBYXMFSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246931614 1050006663 /nfs/dbraw/zinc/00/66/63/1050006663.db2.gz NGYHKTWMMOXCAA-PKOBYXMFSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001172827513 1050166069 /nfs/dbraw/zinc/16/60/69/1050166069.db2.gz LVGDHXFLUQHJGC-DEOSSOPVSA-N 2 2 348.534 4.449 20 0 EIADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001172827513 1050166078 /nfs/dbraw/zinc/16/60/78/1050166078.db2.gz LVGDHXFLUQHJGC-DEOSSOPVSA-N 2 2 348.534 4.449 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC001177186017 1050166864 /nfs/dbraw/zinc/16/68/64/1050166864.db2.gz BAIQNFGAXXJSEV-NRFANRHFSA-N 2 2 334.467 4.099 20 0 EIADLP Cc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001172828726 1050167041 /nfs/dbraw/zinc/16/70/41/1050167041.db2.gz OVSZFDFQBKFKMX-ACRUOGEOSA-N 2 2 335.495 4.024 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172844117 1050180978 /nfs/dbraw/zinc/18/09/78/1050180978.db2.gz BIDMSMPFLKGKAC-KBPBESRZSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172844117 1050180988 /nfs/dbraw/zinc/18/09/88/1050180988.db2.gz BIDMSMPFLKGKAC-KBPBESRZSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172882145 1050226059 /nfs/dbraw/zinc/22/60/59/1050226059.db2.gz NGVDMGVSEAELSR-AWEZNQCLSA-N 2 2 338.948 4.379 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172882145 1050226071 /nfs/dbraw/zinc/22/60/71/1050226071.db2.gz NGVDMGVSEAELSR-AWEZNQCLSA-N 2 2 338.948 4.379 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091311914 1050252276 /nfs/dbraw/zinc/25/22/76/1050252276.db2.gz XINIPCLYEXTJAL-CQSZACIVSA-N 2 2 348.922 4.142 20 0 EIADLP Fc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC001177565884 1050255948 /nfs/dbraw/zinc/25/59/48/1050255948.db2.gz KUVKFUNUEBXUPS-UHFFFAOYSA-N 2 2 349.331 4.320 20 0 EIADLP c1cn(Cc2ccc(Nc3ccc(CC[NH+]4CCCC4)cc3)cc2)c[nH+]1 ZINC001212696877 1050263671 /nfs/dbraw/zinc/26/36/71/1050263671.db2.gz RJHIGUCOICIJND-UHFFFAOYSA-N 2 2 346.478 4.313 20 0 EIADLP COc1cc2ccccc2cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001177658524 1050281620 /nfs/dbraw/zinc/28/16/20/1050281620.db2.gz XEWIOYBODBSHLP-UHFFFAOYSA-N 2 2 335.451 4.225 20 0 EIADLP CC(C)C(C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)C(C)C ZINC001177844455 1050315300 /nfs/dbraw/zinc/31/53/00/1050315300.db2.gz QWNUOQJRTSHZNA-UHFFFAOYSA-N 2 2 326.594 4.256 20 0 EIADLP CCCC[C@H](CC(C)C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173263765 1050386311 /nfs/dbraw/zinc/38/63/11/1050386311.db2.gz WWFWKXPTDRBYPD-GOSISDBHSA-N 2 2 348.579 4.489 20 0 EIADLP CCCC[C@H](CC(C)C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173263765 1050386319 /nfs/dbraw/zinc/38/63/19/1050386319.db2.gz WWFWKXPTDRBYPD-GOSISDBHSA-N 2 2 348.579 4.489 20 0 EIADLP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283946 1050411234 /nfs/dbraw/zinc/41/12/34/1050411234.db2.gz XVIVCRSJJOXHHU-IEBWSBKVSA-N 2 2 347.572 4.461 20 0 EIADLP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283946 1050411240 /nfs/dbraw/zinc/41/12/40/1050411240.db2.gz XVIVCRSJJOXHHU-IEBWSBKVSA-N 2 2 347.572 4.461 20 0 EIADLP CCSC[C@@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001173315765 1050439705 /nfs/dbraw/zinc/43/97/05/1050439705.db2.gz RYTUJPPLASEJJE-HKUYMTLNSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001173315765 1050439709 /nfs/dbraw/zinc/43/97/09/1050439709.db2.gz RYTUJPPLASEJJE-HKUYMTLNSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001173315765 1050439719 /nfs/dbraw/zinc/43/97/19/1050439719.db2.gz RYTUJPPLASEJJE-HKUYMTLNSA-N 2 2 334.573 4.023 20 0 EIADLP CCSC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001173315765 1050439726 /nfs/dbraw/zinc/43/97/26/1050439726.db2.gz RYTUJPPLASEJJE-HKUYMTLNSA-N 2 2 334.573 4.023 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409429 1050464122 /nfs/dbraw/zinc/46/41/22/1050464122.db2.gz SQUDACDHSNNYMH-MRXNPFEDSA-N 2 2 347.462 4.437 20 0 EIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001178774070 1050563028 /nfs/dbraw/zinc/56/30/28/1050563028.db2.gz FXAPJCUNZGWWHI-SFHVURJKSA-N 2 2 342.449 4.392 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660050 1050654464 /nfs/dbraw/zinc/65/44/64/1050654464.db2.gz REJPAYMWIRNCKS-OAHLLOKOSA-N 2 2 335.542 4.178 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660050 1050654467 /nfs/dbraw/zinc/65/44/67/1050654467.db2.gz REJPAYMWIRNCKS-OAHLLOKOSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660050 1050654470 /nfs/dbraw/zinc/65/44/70/1050654470.db2.gz REJPAYMWIRNCKS-OAHLLOKOSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccsc2)s1 ZINC000093660050 1050654474 /nfs/dbraw/zinc/65/44/74/1050654474.db2.gz REJPAYMWIRNCKS-OAHLLOKOSA-N 2 2 335.542 4.178 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093692858 1050663625 /nfs/dbraw/zinc/66/36/25/1050663625.db2.gz ONIJPMJNLLJGPW-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093692858 1050663632 /nfs/dbraw/zinc/66/36/32/1050663632.db2.gz ONIJPMJNLLJGPW-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001179339200 1050679385 /nfs/dbraw/zinc/67/93/85/1050679385.db2.gz YQIWQCZMWYIJFP-KRWDZBQOSA-N 2 2 329.856 4.364 20 0 EIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1Br ZINC001179849979 1050800648 /nfs/dbraw/zinc/80/06/48/1050800648.db2.gz LQBHCPYYSGMUIM-OAHLLOKOSA-N 2 2 348.288 4.169 20 0 EIADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1Br ZINC001179849979 1050800649 /nfs/dbraw/zinc/80/06/49/1050800649.db2.gz LQBHCPYYSGMUIM-OAHLLOKOSA-N 2 2 348.288 4.169 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC001180646557 1051057489 /nfs/dbraw/zinc/05/74/89/1051057489.db2.gz NLJIYCZCSAQQSC-KCUKBOBISA-N 2 2 344.543 4.082 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180646557 1051057498 /nfs/dbraw/zinc/05/74/98/1051057498.db2.gz NLJIYCZCSAQQSC-KCUKBOBISA-N 2 2 344.543 4.082 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(CC(C)C)cc2)cn1 ZINC000151600655 1051209530 /nfs/dbraw/zinc/20/95/30/1051209530.db2.gz OVLXHDUKYMDVHW-UHFFFAOYSA-N 2 2 334.467 4.064 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1OC(F)F ZINC000268771690 1051391340 /nfs/dbraw/zinc/39/13/40/1051391340.db2.gz SURKVJIULGFINZ-CQSZACIVSA-N 2 2 347.409 4.003 20 0 EIADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCn3cc[nH+]c3)cc2)c1 ZINC000155755844 1051455172 /nfs/dbraw/zinc/45/51/72/1051455172.db2.gz DJEOXDSDCIEWGO-GOSISDBHSA-N 2 2 335.451 4.121 20 0 EIADLP c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C[NH+]1CCCCC1 ZINC001175351884 1051544162 /nfs/dbraw/zinc/54/41/62/1051544162.db2.gz XEEQXBGBJQCDJA-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC001206548273 1051754628 /nfs/dbraw/zinc/75/46/28/1051754628.db2.gz IMLMJJOICAKHNY-HNNXBMFYSA-N 2 2 345.712 4.053 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001206548273 1051754635 /nfs/dbraw/zinc/75/46/35/1051754635.db2.gz IMLMJJOICAKHNY-HNNXBMFYSA-N 2 2 345.712 4.053 20 0 EIADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC001192595519 1051773945 /nfs/dbraw/zinc/77/39/45/1051773945.db2.gz NLGQRQBAVPVHIB-JOCHJYFZSA-N 2 2 343.559 4.147 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146659 1051794066 /nfs/dbraw/zinc/79/40/66/1051794066.db2.gz ZNYRWJRWJNPVEA-XIRDDKMYSA-N 2 2 326.406 4.025 20 0 EIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146659 1051794073 /nfs/dbraw/zinc/79/40/73/1051794073.db2.gz ZNYRWJRWJNPVEA-XIRDDKMYSA-N 2 2 326.406 4.025 20 0 EIADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238854 1051809530 /nfs/dbraw/zinc/80/95/30/1051809530.db2.gz QKKYXJHQKFFCQI-VQIMIIECSA-N 2 2 325.500 4.096 20 0 EIADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238854 1051809534 /nfs/dbraw/zinc/80/95/34/1051809534.db2.gz QKKYXJHQKFFCQI-VQIMIIECSA-N 2 2 325.500 4.096 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC001183238122 1051809685 /nfs/dbraw/zinc/80/96/85/1051809685.db2.gz HHWVUVPYHOCFNX-UHFFFAOYSA-N 2 2 342.527 4.316 20 0 EIADLP Oc1cccc2sc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)cc21 ZINC001183500197 1051855405 /nfs/dbraw/zinc/85/54/05/1051855405.db2.gz QOOGLWKMKFMZHF-GOSISDBHSA-N 2 2 349.459 4.335 20 0 EIADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106073 1051950916 /nfs/dbraw/zinc/95/09/16/1051950916.db2.gz KCPSAWVDUUYKHO-FDTGPBLFSA-N 2 2 334.507 4.433 20 0 EIADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106073 1051950925 /nfs/dbraw/zinc/95/09/25/1051950925.db2.gz KCPSAWVDUUYKHO-FDTGPBLFSA-N 2 2 334.507 4.433 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296281 1052002860 /nfs/dbraw/zinc/00/28/60/1052002860.db2.gz YIVPOLXZLHNZCG-FUHWJXTLSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296281 1052002872 /nfs/dbraw/zinc/00/28/72/1052002872.db2.gz YIVPOLXZLHNZCG-FUHWJXTLSA-N 2 2 329.513 4.096 20 0 EIADLP Cc1ccc2c(Nc3ccc(CC[NH+]4CCOCC4)cc3)cccc2[nH+]1 ZINC001176383311 1052026985 /nfs/dbraw/zinc/02/69/85/1052026985.db2.gz SYZSCMUNKBGKMJ-UHFFFAOYSA-N 2 2 347.462 4.162 20 0 EIADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977094 1052214606 /nfs/dbraw/zinc/21/46/06/1052214606.db2.gz IGNANYIZZUHGPW-CYBMUJFWSA-N 2 2 348.288 4.123 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342027 1052626137 /nfs/dbraw/zinc/62/61/37/1052626137.db2.gz BHEAZOVKVWBUBN-SJLPKXTDSA-N 2 2 332.488 4.439 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342027 1052626141 /nfs/dbraw/zinc/62/61/41/1052626141.db2.gz BHEAZOVKVWBUBN-SJLPKXTDSA-N 2 2 332.488 4.439 20 0 EIADLP CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000623678493 1052702116 /nfs/dbraw/zinc/70/21/16/1052702116.db2.gz MZBIETXKOFOAHD-XUTJKUGGSA-N 2 2 341.499 4.336 20 0 EIADLP C[N@@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(C)C ZINC000623972000 1052844993 /nfs/dbraw/zinc/84/49/93/1052844993.db2.gz NYYLLETYYZJNDD-GOSISDBHSA-N 2 2 338.499 4.171 20 0 EIADLP C[N@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(C)C ZINC000623972000 1052844998 /nfs/dbraw/zinc/84/49/98/1052844998.db2.gz NYYLLETYYZJNDD-GOSISDBHSA-N 2 2 338.499 4.171 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120536 1052867718 /nfs/dbraw/zinc/86/77/18/1052867718.db2.gz BIZZSDGIBUNVTL-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000624120536 1052867723 /nfs/dbraw/zinc/86/77/23/1052867723.db2.gz BIZZSDGIBUNVTL-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182712043 1052947752 /nfs/dbraw/zinc/94/77/52/1052947752.db2.gz GPXHKIXFMFZDDP-CQSZACIVSA-N 2 2 325.378 4.375 20 0 EIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182712043 1052947756 /nfs/dbraw/zinc/94/77/56/1052947756.db2.gz GPXHKIXFMFZDDP-CQSZACIVSA-N 2 2 325.378 4.375 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884284 1052954372 /nfs/dbraw/zinc/95/43/72/1052954372.db2.gz WBKFGBMSKYCWEI-GUXCAODWSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884284 1052954373 /nfs/dbraw/zinc/95/43/73/1052954373.db2.gz WBKFGBMSKYCWEI-GUXCAODWSA-N 2 2 338.499 4.027 20 0 EIADLP CSc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000366965772 1053000164 /nfs/dbraw/zinc/00/01/64/1053000164.db2.gz ICYFFEOYNGKZQQ-HNNXBMFYSA-N 2 2 327.497 4.123 20 0 EIADLP CC[C@H]([NH2+]CC(C)C[NH2+][C@@H](CC)c1nccs1)c1nccs1 ZINC000185060222 1053012258 /nfs/dbraw/zinc/01/22/58/1053012258.db2.gz HIUIUXFSWFGSAN-KBPBESRZSA-N 2 2 338.546 4.017 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000765252871 1053478352 /nfs/dbraw/zinc/47/83/52/1053478352.db2.gz SSKPKEIZLNWHAZ-CXAGYDPISA-N 2 2 335.879 4.311 20 0 EIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765429526 1053548014 /nfs/dbraw/zinc/54/80/14/1053548014.db2.gz WGUPWLBIYYYQRG-QHCPKHFHSA-N 2 2 349.522 4.307 20 0 EIADLP CC(C)(C)OC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000865697729 1053574658 /nfs/dbraw/zinc/57/46/58/1053574658.db2.gz CUWVPYCOJUJJPQ-UHFFFAOYSA-N 2 2 327.472 4.088 20 0 EIADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921550212 1053844257 /nfs/dbraw/zinc/84/42/57/1053844257.db2.gz SYAUDRSPMWHYGM-UHFFFAOYSA-N 2 2 329.488 4.104 20 0 EIADLP Clc1ccccc1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197265435 1053865270 /nfs/dbraw/zinc/86/52/70/1053865270.db2.gz RRPKGZHYRCRDHL-LJQANCHMSA-N 2 2 325.843 4.110 20 0 EIADLP CCC[N@H+](C[C@H]1CCO[C@@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633015 1054211986 /nfs/dbraw/zinc/21/19/86/1054211986.db2.gz PEPQOGWTQKJPOK-FPOVZHCZSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633015 1054212002 /nfs/dbraw/zinc/21/20/02/1054212002.db2.gz PEPQOGWTQKJPOK-FPOVZHCZSA-N 2 2 344.543 4.178 20 0 EIADLP Fc1ccccc1CSCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001198901166 1054294688 /nfs/dbraw/zinc/29/46/88/1054294688.db2.gz PYQMTMYOWXKZIE-UHFFFAOYSA-N 2 2 347.484 4.096 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001198908292 1054308195 /nfs/dbraw/zinc/30/81/95/1054308195.db2.gz OCEQMZDJACVUPT-SFHVURJKSA-N 2 2 326.509 4.412 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001198908292 1054308212 /nfs/dbraw/zinc/30/82/12/1054308212.db2.gz OCEQMZDJACVUPT-SFHVURJKSA-N 2 2 326.509 4.412 20 0 EIADLP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000872021682 1054334328 /nfs/dbraw/zinc/33/43/28/1054334328.db2.gz SDQFXCAKABCWCL-INIZCTEOSA-N 2 2 325.378 4.142 20 0 EIADLP Cc1cccc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)c(Cl)nc12 ZINC001199069303 1054338471 /nfs/dbraw/zinc/33/84/71/1054338471.db2.gz SXNRZSQULRUKAO-UHFFFAOYSA-N 2 2 331.891 4.159 20 0 EIADLP CCCOCc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001199377152 1054400501 /nfs/dbraw/zinc/40/05/01/1054400501.db2.gz XUKCLTOSPDMTSR-UHFFFAOYSA-N 2 2 341.480 4.150 20 0 EIADLP C[C@H]1CCCC[C@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001199472016 1054412069 /nfs/dbraw/zinc/41/20/69/1054412069.db2.gz FPYXOEBQDBROMW-ROUUACIJSA-N 2 2 329.532 4.455 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160431 1054426834 /nfs/dbraw/zinc/42/68/34/1054426834.db2.gz IWRPSKJEVPCXNL-BXUZGUMPSA-N 2 2 343.298 4.279 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160431 1054426839 /nfs/dbraw/zinc/42/68/39/1054426839.db2.gz IWRPSKJEVPCXNL-BXUZGUMPSA-N 2 2 343.298 4.279 20 0 EIADLP Fc1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000858238188 1054442712 /nfs/dbraw/zinc/44/27/12/1054442712.db2.gz RBEHJXFVVPIBOM-FQEVSTJZSA-N 2 2 336.414 4.037 20 0 EIADLP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC001200880369 1054565062 /nfs/dbraw/zinc/56/50/62/1054565062.db2.gz SIMJNHSDFTZRMG-NVXWUHKLSA-N 2 2 330.497 4.144 20 0 EIADLP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC001200880369 1054565076 /nfs/dbraw/zinc/56/50/76/1054565076.db2.gz SIMJNHSDFTZRMG-NVXWUHKLSA-N 2 2 330.497 4.144 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)s1 ZINC000347598809 1054771362 /nfs/dbraw/zinc/77/13/62/1054771362.db2.gz XYPMZEXSSVRXKU-UHFFFAOYSA-N 2 2 347.503 4.289 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)s1 ZINC000347598809 1054771373 /nfs/dbraw/zinc/77/13/73/1054771373.db2.gz XYPMZEXSSVRXKU-UHFFFAOYSA-N 2 2 347.503 4.289 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000282249287 1054775902 /nfs/dbraw/zinc/77/59/02/1054775902.db2.gz JLXSLFHGNOUEJF-OOHWJJMZSA-N 2 2 337.458 4.021 20 0 EIADLP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055032977 /nfs/dbraw/zinc/03/29/77/1055032977.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055032995 /nfs/dbraw/zinc/03/29/95/1055032995.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055033008 /nfs/dbraw/zinc/03/30/08/1055033008.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055033022 /nfs/dbraw/zinc/03/30/22/1055033022.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001202417380 1055163713 /nfs/dbraw/zinc/16/37/13/1055163713.db2.gz KRGPKGSKQZSEEL-INIZCTEOSA-N 2 2 343.352 4.067 20 0 EIADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccnc2)c1 ZINC000765861919 1056022508 /nfs/dbraw/zinc/02/25/08/1056022508.db2.gz UVPUAWSOVOTSOE-HSZRJFAPSA-N 2 2 349.522 4.252 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000542831926 1056169928 /nfs/dbraw/zinc/16/99/28/1056169928.db2.gz SBRWDJZOBBVTQB-NDXORKPFSA-N 2 2 348.506 4.146 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000542831925 1056170507 /nfs/dbraw/zinc/17/05/07/1056170507.db2.gz SBRWDJZOBBVTQB-HBGVWJBISA-N 2 2 348.506 4.146 20 0 EIADLP C[C@@H](C1CC1)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347672364 1056803277 /nfs/dbraw/zinc/80/32/77/1056803277.db2.gz JAKMINHHNJROSO-HNNXBMFYSA-N 2 2 329.513 4.005 20 0 EIADLP C[C@@H](C1CC1)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347672364 1056803288 /nfs/dbraw/zinc/80/32/88/1056803288.db2.gz JAKMINHHNJROSO-HNNXBMFYSA-N 2 2 329.513 4.005 20 0 EIADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000742387319 1058587363 /nfs/dbraw/zinc/58/73/63/1058587363.db2.gz RGCOBCXXCCRILQ-LJQANCHMSA-N 2 2 347.506 4.264 20 0 EIADLP C[C@@H]1CCC[N@H+]1CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000742387319 1058587385 /nfs/dbraw/zinc/58/73/85/1058587385.db2.gz RGCOBCXXCCRILQ-LJQANCHMSA-N 2 2 347.506 4.264 20 0 EIADLP COc1c(C)cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742387403 1058587691 /nfs/dbraw/zinc/58/76/91/1058587691.db2.gz HASPRRMKBJWMGY-FQEVSTJZSA-N 2 2 349.478 4.119 20 0 EIADLP C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391866 1058591253 /nfs/dbraw/zinc/59/12/53/1058591253.db2.gz MXOWCMLKHREQPU-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP C/C(=C/c1ccccc1)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742378576 1058603939 /nfs/dbraw/zinc/60/39/39/1058603939.db2.gz VHBMKGZQHKQECN-ZPHPHTNESA-N 2 2 349.522 4.415 20 0 EIADLP C[C@@H](CSC(C)(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304521 1059360451 /nfs/dbraw/zinc/36/04/51/1059360451.db2.gz NPPYFNODJMBYGT-DOTOQJQBSA-N 2 2 331.529 4.214 20 0 EIADLP c1c(CCNc2ccc3c(c2)[nH]c2cc[nH+]cc23)[nH+]c2ccccn12 ZINC001169009568 1060574948 /nfs/dbraw/zinc/57/49/48/1060574948.db2.gz QZYHEHIZLUIKBH-UHFFFAOYSA-N 2 2 327.391 4.018 20 0 EIADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001169061463 1060619347 /nfs/dbraw/zinc/61/93/47/1060619347.db2.gz KSBGOIDBBUOLDY-OAQYLSRUSA-N 2 2 337.511 4.297 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3Cl)CC1)C2 ZINC001169100688 1060636846 /nfs/dbraw/zinc/63/68/46/1060636846.db2.gz LIAZHBOWFFSMFR-ZSOGYDGISA-N 2 2 325.283 4.197 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Cl)cc3Cl)CC1)C2 ZINC001169100688 1060636852 /nfs/dbraw/zinc/63/68/52/1060636852.db2.gz LIAZHBOWFFSMFR-ZSOGYDGISA-N 2 2 325.283 4.197 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144624 1060663153 /nfs/dbraw/zinc/66/31/53/1060663153.db2.gz KTWJXEZBVGZEKT-XMTFNYHQSA-N 2 2 336.932 4.055 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144624 1060663157 /nfs/dbraw/zinc/66/31/57/1060663157.db2.gz KTWJXEZBVGZEKT-XMTFNYHQSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144624 1060663166 /nfs/dbraw/zinc/66/31/66/1060663166.db2.gz KTWJXEZBVGZEKT-XMTFNYHQSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144624 1060663171 /nfs/dbraw/zinc/66/31/71/1060663171.db2.gz KTWJXEZBVGZEKT-XMTFNYHQSA-N 2 2 336.932 4.055 20 0 EIADLP Cn1c[nH+]cc1-c1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151252 1060668031 /nfs/dbraw/zinc/66/80/31/1060668031.db2.gz HQFVMHUUVJOHIM-PXNSSMCTSA-N 2 2 326.488 4.043 20 0 EIADLP FC(F)(F)c1cccc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c21 ZINC001169794585 1060975362 /nfs/dbraw/zinc/97/53/62/1060975362.db2.gz QDKCUKJHFUSENP-UHFFFAOYSA-N 2 2 335.373 4.151 20 0 EIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532211977 1032092405 /nfs/dbraw/zinc/09/24/05/1032092405.db2.gz MIGSOWNZVCYTMV-MRXNPFEDSA-N 2 2 337.920 4.477 20 0 EIADLP C[C@H](CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000194198850 1032219695 /nfs/dbraw/zinc/21/96/95/1032219695.db2.gz KPRQXEWCNBSEIG-LJQANCHMSA-N 2 2 333.479 4.257 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1Cl ZINC000360038268 1032233799 /nfs/dbraw/zinc/23/37/99/1032233799.db2.gz UGNYDKXGFXLJMM-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cnc3ccsc3c1)CCC2 ZINC000360079895 1032239093 /nfs/dbraw/zinc/23/90/93/1032239093.db2.gz RGFHZZGYXXSCTC-KGLIPLIRSA-N 2 2 326.469 4.029 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245707363 1032405101 /nfs/dbraw/zinc/40/51/01/1032405101.db2.gz MQXXGXRFTKJVJF-KANFNMMFSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245707363 1032405107 /nfs/dbraw/zinc/40/51/07/1032405107.db2.gz MQXXGXRFTKJVJF-KANFNMMFSA-N 2 2 341.524 4.298 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)COCc1ccccc1 ZINC000389899374 1032426866 /nfs/dbraw/zinc/42/68/66/1032426866.db2.gz ARXSPZCSYSOHDD-MOPGFXCFSA-N 2 2 349.478 4.376 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000177934364 1032514149 /nfs/dbraw/zinc/51/41/49/1032514149.db2.gz JXYGDWHUCQCSBD-NRFANRHFSA-N 2 2 335.451 4.181 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000179136941 1032554521 /nfs/dbraw/zinc/55/45/21/1032554521.db2.gz PTEXXNAEMZYDOW-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000179136941 1032554530 /nfs/dbraw/zinc/55/45/30/1032554530.db2.gz PTEXXNAEMZYDOW-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP C[N@H+](CC1CCC(C)(C)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512383752 1032592801 /nfs/dbraw/zinc/59/28/01/1032592801.db2.gz DWZNXDANEMFCRC-UHFFFAOYSA-N 2 2 343.559 4.237 20 0 EIADLP C[N@@H+](CC1CCC(C)(C)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512383752 1032592823 /nfs/dbraw/zinc/59/28/23/1032592823.db2.gz DWZNXDANEMFCRC-UHFFFAOYSA-N 2 2 343.559 4.237 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000432925827 1033430032 /nfs/dbraw/zinc/43/00/32/1033430032.db2.gz UHRFZENUGOWASL-NSHDSACASA-N 2 2 344.311 4.243 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000432925827 1033430044 /nfs/dbraw/zinc/43/00/44/1033430044.db2.gz UHRFZENUGOWASL-NSHDSACASA-N 2 2 344.311 4.243 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000683108140 1018835601 /nfs/dbraw/zinc/83/56/01/1018835601.db2.gz AHMTYRMYELBNPY-SQNIBIBYSA-N 2 2 343.540 4.214 20 0 EIADLP CC[N@H+](CC1(C)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432782944 1032800219 /nfs/dbraw/zinc/80/02/19/1032800219.db2.gz WRHOJTOENBOOBH-UHFFFAOYSA-N 2 2 344.547 4.389 20 0 EIADLP CC[N@@H+](CC1(C)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432782944 1032800225 /nfs/dbraw/zinc/80/02/25/1032800225.db2.gz WRHOJTOENBOOBH-UHFFFAOYSA-N 2 2 344.547 4.389 20 0 EIADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc(C)c1F ZINC001143373937 1019125796 /nfs/dbraw/zinc/12/57/96/1019125796.db2.gz FRLXXQLYLJKSMC-QZTJIDSGSA-N 2 2 344.499 4.068 20 0 EIADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000683470536 1020849278 /nfs/dbraw/zinc/84/92/78/1020849278.db2.gz RAIZNNFPEOYROL-LJQANCHMSA-N 2 2 339.870 4.456 20 0 EIADLP CC(C)(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655690094 1020899821 /nfs/dbraw/zinc/89/98/21/1020899821.db2.gz VKYGPUCDNUOVNW-PMACEKPBSA-N 2 2 330.516 4.007 20 0 EIADLP CCC(CC)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655696272 1020902725 /nfs/dbraw/zinc/90/27/25/1020902725.db2.gz DWXNONIGTYDKQY-LEWJYISDSA-N 2 2 330.516 4.007 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000275597206 1020920889 /nfs/dbraw/zinc/92/08/89/1020920889.db2.gz KEJCRZOKWYDEOR-IAGOWNOFSA-N 2 2 337.389 4.142 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000683775422 1021472398 /nfs/dbraw/zinc/47/23/98/1021472398.db2.gz LETCZMWXHKQKLQ-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000683775422 1021472415 /nfs/dbraw/zinc/47/24/15/1021472415.db2.gz LETCZMWXHKQKLQ-HSZRJFAPSA-N 2 2 345.490 4.235 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000414061123 1021763063 /nfs/dbraw/zinc/76/30/63/1021763063.db2.gz KCUCCBBRRJHNQO-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000580258781 1021807376 /nfs/dbraw/zinc/80/73/76/1021807376.db2.gz JIWFTUOZXFJJFR-UGKGYDQZSA-N 2 2 331.463 4.357 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000414131996 1021902097 /nfs/dbraw/zinc/90/20/97/1021902097.db2.gz LRWRQGSCOZPAGS-NJAFHUGGSA-N 2 2 329.875 4.167 20 0 EIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3(CCCCC3)Oc3ccccc31)C2 ZINC000377802694 1022016475 /nfs/dbraw/zinc/01/64/75/1022016475.db2.gz MQQSYBOHROFSSK-HNAYVOBHSA-N 2 2 337.467 4.083 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1)CCC2 ZINC000377836576 1022041835 /nfs/dbraw/zinc/04/18/35/1022041835.db2.gz CEMJYZUPNCABHN-INIZCTEOSA-N 2 2 349.425 4.077 20 0 EIADLP Cc1ccc(SC[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000471598032 1022274185 /nfs/dbraw/zinc/27/41/85/1022274185.db2.gz IILZFFINEOVTJF-QGZVFWFLSA-N 2 2 341.524 4.129 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000378089455 1022364017 /nfs/dbraw/zinc/36/40/17/1022364017.db2.gz NSONRLQFEODMDK-OAHLLOKOSA-N 2 2 342.418 4.124 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000378089455 1022364036 /nfs/dbraw/zinc/36/40/36/1022364036.db2.gz NSONRLQFEODMDK-OAHLLOKOSA-N 2 2 342.418 4.124 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)Oc3cc(F)ccc31)CCC2 ZINC000378185156 1022489663 /nfs/dbraw/zinc/48/96/63/1022489663.db2.gz RPYADBAGRUPXOA-YOEHRIQHSA-N 2 2 343.446 4.100 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000378338356 1022719361 /nfs/dbraw/zinc/71/93/61/1022719361.db2.gz LEBXDSKPWLTGMP-KNBMTAEXSA-N 2 2 343.902 4.469 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000378338356 1022719382 /nfs/dbraw/zinc/71/93/82/1022719382.db2.gz LEBXDSKPWLTGMP-KNBMTAEXSA-N 2 2 343.902 4.469 20 0 EIADLP COc1c(F)cccc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001143534687 1033076310 /nfs/dbraw/zinc/07/63/10/1033076310.db2.gz XKFBHYBMVQDARA-UHFFFAOYSA-N 2 2 334.479 4.063 20 0 EIADLP COc1c(F)cccc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001143534687 1033076328 /nfs/dbraw/zinc/07/63/28/1033076328.db2.gz XKFBHYBMVQDARA-UHFFFAOYSA-N 2 2 334.479 4.063 20 0 EIADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000089668720 1022756133 /nfs/dbraw/zinc/75/61/33/1022756133.db2.gz HLYRXDVKSGPCQI-QIJUGHKUSA-N 2 2 338.495 4.017 20 0 EIADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000089668720 1022756153 /nfs/dbraw/zinc/75/61/53/1022756153.db2.gz HLYRXDVKSGPCQI-QIJUGHKUSA-N 2 2 338.495 4.017 20 0 EIADLP Clc1cc(Cl)cc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001167442323 1022793046 /nfs/dbraw/zinc/79/30/46/1022793046.db2.gz CQQCEWIHUSCQRM-SFHVURJKSA-N 2 2 341.326 4.486 20 0 EIADLP Clc1cc(Cl)cc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001167442323 1022793082 /nfs/dbraw/zinc/79/30/82/1022793082.db2.gz CQQCEWIHUSCQRM-SFHVURJKSA-N 2 2 341.326 4.486 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)CC1 ZINC000378394833 1022793328 /nfs/dbraw/zinc/79/33/28/1022793328.db2.gz KLXBSHRETZJDPI-HXUWFJFHSA-N 2 2 339.483 4.039 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)CC1 ZINC000378394833 1022793356 /nfs/dbraw/zinc/79/33/56/1022793356.db2.gz KLXBSHRETZJDPI-HXUWFJFHSA-N 2 2 339.483 4.039 20 0 EIADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cnoc2C2CC2)CC1 ZINC000378394833 1022793379 /nfs/dbraw/zinc/79/33/79/1022793379.db2.gz KLXBSHRETZJDPI-HXUWFJFHSA-N 2 2 339.483 4.039 20 0 EIADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cnoc2C2CC2)CC1 ZINC000378394833 1022793410 /nfs/dbraw/zinc/79/34/10/1022793410.db2.gz KLXBSHRETZJDPI-HXUWFJFHSA-N 2 2 339.483 4.039 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000656438049 1022895787 /nfs/dbraw/zinc/89/57/87/1022895787.db2.gz HXKKUQATDQUQAK-PGRDOPGGSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000656438049 1022895791 /nfs/dbraw/zinc/89/57/91/1022895791.db2.gz HXKKUQATDQUQAK-PGRDOPGGSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438049 1022895795 /nfs/dbraw/zinc/89/57/95/1022895795.db2.gz HXKKUQATDQUQAK-PGRDOPGGSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438049 1022895798 /nfs/dbraw/zinc/89/57/98/1022895798.db2.gz HXKKUQATDQUQAK-PGRDOPGGSA-N 2 2 349.522 4.055 20 0 EIADLP Cn1cc[nH+]c1CC1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000178771345 1023169847 /nfs/dbraw/zinc/16/98/47/1023169847.db2.gz OZORZHIIHGKYDJ-UHFFFAOYSA-N 2 2 340.858 4.081 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000364129272 1023328217 /nfs/dbraw/zinc/32/82/17/1023328217.db2.gz SHMPMSHVEBRKEK-LBPRGKRZSA-N 2 2 338.710 4.404 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000364129272 1023328226 /nfs/dbraw/zinc/32/82/26/1023328226.db2.gz SHMPMSHVEBRKEK-LBPRGKRZSA-N 2 2 338.710 4.404 20 0 EIADLP CC(C)CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000549145556 1023381987 /nfs/dbraw/zinc/38/19/87/1023381987.db2.gz BMJQUOTZORKTAN-FQEVSTJZSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034251 1023401906 /nfs/dbraw/zinc/40/19/06/1023401906.db2.gz CLTYFKNSNKWGIW-PKOBYXMFSA-N 2 2 341.524 4.083 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034251 1023401912 /nfs/dbraw/zinc/40/19/12/1023401912.db2.gz CLTYFKNSNKWGIW-PKOBYXMFSA-N 2 2 341.524 4.083 20 0 EIADLP COc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)c1 ZINC000415086218 1023435320 /nfs/dbraw/zinc/43/53/20/1023435320.db2.gz RRQRWYXBDPAIJM-YWZLYKJASA-N 2 2 344.886 4.027 20 0 EIADLP CC(C)CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000549227308 1023497617 /nfs/dbraw/zinc/49/76/17/1023497617.db2.gz DXHZNLAVLVPVOO-HXUWFJFHSA-N 2 2 344.547 4.239 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430626274 1023498111 /nfs/dbraw/zinc/49/81/11/1023498111.db2.gz LIFCBTXLBHLYQN-MRXNPFEDSA-N 2 2 346.421 4.189 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430626274 1023498122 /nfs/dbraw/zinc/49/81/22/1023498122.db2.gz LIFCBTXLBHLYQN-MRXNPFEDSA-N 2 2 346.421 4.189 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(c1ccccc1)c1ccccc1 ZINC000377414565 1023520662 /nfs/dbraw/zinc/52/06/62/1023520662.db2.gz VLDFCUDFYRWPHS-QFBILLFUSA-N 2 2 331.463 4.077 20 0 EIADLP C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000651469435 1023525542 /nfs/dbraw/zinc/52/55/42/1023525542.db2.gz NLEOXOJLYMDXEE-BZOOQXSSSA-N 2 2 335.398 4.073 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390552353 1023674605 /nfs/dbraw/zinc/67/46/05/1023674605.db2.gz DLYSRTQLSQRSMJ-RDJZCZTQSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390552353 1023674607 /nfs/dbraw/zinc/67/46/07/1023674607.db2.gz DLYSRTQLSQRSMJ-RDJZCZTQSA-N 2 2 328.422 4.362 20 0 EIADLP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000364373193 1023690310 /nfs/dbraw/zinc/69/03/10/1023690310.db2.gz GCCXWFVACDCQNZ-HNNXBMFYSA-N 2 2 330.497 4.072 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000377750834 1023741161 /nfs/dbraw/zinc/74/11/61/1023741161.db2.gz WTCJWEDELPJKBG-DLBZAZTESA-N 2 2 328.431 4.111 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000377750834 1023741167 /nfs/dbraw/zinc/74/11/67/1023741167.db2.gz WTCJWEDELPJKBG-DLBZAZTESA-N 2 2 328.431 4.111 20 0 EIADLP Clc1ccc(Br)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000090249579 1023815680 /nfs/dbraw/zinc/81/56/80/1023815680.db2.gz UWLIBXQWYHPPTM-UHFFFAOYSA-N 2 2 345.712 4.068 20 0 EIADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(C)o1 ZINC000156449072 1023864846 /nfs/dbraw/zinc/86/48/46/1023864846.db2.gz INDCBVGGFDMBAM-KXBFYZLASA-N 2 2 339.439 4.120 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647199282 1023875825 /nfs/dbraw/zinc/87/58/25/1023875825.db2.gz WKOWKDFFMWEYLG-SFHVURJKSA-N 2 2 341.886 4.022 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000647199282 1023875829 /nfs/dbraw/zinc/87/58/29/1023875829.db2.gz WKOWKDFFMWEYLG-SFHVURJKSA-N 2 2 341.886 4.022 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000301158693 1033186813 /nfs/dbraw/zinc/18/68/13/1033186813.db2.gz QIZCSTKZBVCKTM-GOSISDBHSA-N 2 2 338.495 4.319 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651682328 1024194259 /nfs/dbraw/zinc/19/42/59/1024194259.db2.gz VRNOUKQACROLGT-QGZVFWFLSA-N 2 2 335.495 4.274 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000581995899 1024824321 /nfs/dbraw/zinc/82/43/21/1024824321.db2.gz IPBLQSYHCMRTIW-ZIAGYGMSSA-N 2 2 338.282 4.185 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741961 1024842283 /nfs/dbraw/zinc/84/22/83/1024842283.db2.gz GKGOQTJLBJJGAB-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741961 1024842284 /nfs/dbraw/zinc/84/22/84/1024842284.db2.gz GKGOQTJLBJJGAB-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741961 1024842285 /nfs/dbraw/zinc/84/22/85/1024842285.db2.gz GKGOQTJLBJJGAB-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741961 1024842288 /nfs/dbraw/zinc/84/22/88/1024842288.db2.gz GKGOQTJLBJJGAB-KRWDZBQOSA-N 2 2 341.474 4.051 20 0 EIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1F ZINC000161561969 1025056918 /nfs/dbraw/zinc/05/69/18/1025056918.db2.gz QNZYHGRUZQJEQE-INIZCTEOSA-N 2 2 335.854 4.295 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)oc21 ZINC000326675090 1025191191 /nfs/dbraw/zinc/19/11/91/1025191191.db2.gz NUDHFTCZJKSTCM-RDTXWAMCSA-N 2 2 341.455 4.403 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c2ccccc12 ZINC000150975432 1025241314 /nfs/dbraw/zinc/24/13/14/1025241314.db2.gz CQQZWCFJVIOSAG-JKSUJKDBSA-N 2 2 335.451 4.019 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)s1 ZINC000151308930 1025280431 /nfs/dbraw/zinc/28/04/31/1025280431.db2.gz QRJVMFVQJYECFA-OAHLLOKOSA-N 2 2 325.481 4.461 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000151328995 1025283741 /nfs/dbraw/zinc/28/37/41/1025283741.db2.gz YBTFFNXPNNYTET-NRFANRHFSA-N 2 2 335.451 4.181 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000122174935 1025366937 /nfs/dbraw/zinc/36/69/37/1025366937.db2.gz ZBQHNRFTCOXHJB-GJZGRUSLSA-N 2 2 339.414 4.432 20 0 EIADLP Cc1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c1C ZINC000472034773 1025453594 /nfs/dbraw/zinc/45/35/94/1025453594.db2.gz IFLHXPNMYKEAIF-UHFFFAOYSA-N 2 2 348.425 4.399 20 0 EIADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(Cl)c1 ZINC000343981064 1025846363 /nfs/dbraw/zinc/84/63/63/1025846363.db2.gz POPWTTKLZMUADO-GOSISDBHSA-N 2 2 338.923 4.270 20 0 EIADLP CCCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000343980839 1025848633 /nfs/dbraw/zinc/84/86/33/1025848633.db2.gz OKUBVLJAYQMXJK-HXUWFJFHSA-N 2 2 332.532 4.397 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432410834 1025880078 /nfs/dbraw/zinc/88/00/78/1025880078.db2.gz SBJUUKBUTORKOC-ZWKOTPCHSA-N 2 2 344.499 4.201 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432410834 1025880079 /nfs/dbraw/zinc/88/00/79/1025880079.db2.gz SBJUUKBUTORKOC-ZWKOTPCHSA-N 2 2 344.499 4.201 20 0 EIADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(CC)CC ZINC000344033677 1025889431 /nfs/dbraw/zinc/88/94/31/1025889431.db2.gz LPXHNRVSHVIAFV-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414132 1025890225 /nfs/dbraw/zinc/89/02/25/1025890225.db2.gz QICXMEDQBPOWHP-SJORKVTESA-N 2 2 344.499 4.147 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414132 1025890229 /nfs/dbraw/zinc/89/02/29/1025890229.db2.gz QICXMEDQBPOWHP-SJORKVTESA-N 2 2 344.499 4.147 20 0 EIADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187773040 1025893256 /nfs/dbraw/zinc/89/32/56/1025893256.db2.gz SHNSOESMBHZAQY-RBBKRZOGSA-N 2 2 335.495 4.150 20 0 EIADLP Cc1csc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCCC2)n1 ZINC000344133737 1026047562 /nfs/dbraw/zinc/04/75/62/1026047562.db2.gz XRHDGOISNVVCAD-UHFFFAOYSA-N 2 2 344.509 4.258 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cc2)c[nH+]1 ZINC000152117824 1026112802 /nfs/dbraw/zinc/11/28/02/1026112802.db2.gz QDJUYEBCSIQWLT-NRFANRHFSA-N 2 2 349.503 4.052 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303741796 1026190271 /nfs/dbraw/zinc/19/02/71/1026190271.db2.gz IQCITULRUCYTME-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000303741796 1026190276 /nfs/dbraw/zinc/19/02/76/1026190276.db2.gz IQCITULRUCYTME-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741796 1026190281 /nfs/dbraw/zinc/19/02/81/1026190281.db2.gz IQCITULRUCYTME-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741796 1026190287 /nfs/dbraw/zinc/19/02/87/1026190287.db2.gz IQCITULRUCYTME-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1cc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1F ZINC000894548147 1026201337 /nfs/dbraw/zinc/20/13/37/1026201337.db2.gz XJCYBTMYFKGSRV-WWGRRREGSA-N 2 2 349.400 4.000 20 0 EIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000152245793 1026245441 /nfs/dbraw/zinc/24/54/41/1026245441.db2.gz HGACCOWPVFFDSD-SFHVURJKSA-N 2 2 327.378 4.391 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158159936 1026300167 /nfs/dbraw/zinc/30/01/67/1026300167.db2.gz MSYXJAUKKMWEET-AGHHOFFYSA-N 2 2 347.462 4.443 20 0 EIADLP Clc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC1 ZINC001167978238 1026344248 /nfs/dbraw/zinc/34/42/48/1026344248.db2.gz NAJVRIYRANGNNH-PHSGOXPASA-N 2 2 345.918 4.181 20 0 EIADLP Clc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167978238 1026344259 /nfs/dbraw/zinc/34/42/59/1026344259.db2.gz NAJVRIYRANGNNH-PHSGOXPASA-N 2 2 345.918 4.181 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000119736838 1026422957 /nfs/dbraw/zinc/42/29/57/1026422957.db2.gz PMTWWQFVOMXLTG-KRWDZBQOSA-N 2 2 337.305 4.117 20 0 EIADLP Clc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167983908 1026477264 /nfs/dbraw/zinc/47/72/64/1026477264.db2.gz LHQXLABSHSSDEO-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167983908 1026477277 /nfs/dbraw/zinc/47/72/77/1026477277.db2.gz LHQXLABSHSSDEO-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167983908 1026477282 /nfs/dbraw/zinc/47/72/82/1026477282.db2.gz LHQXLABSHSSDEO-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP Clc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167983908 1026477288 /nfs/dbraw/zinc/47/72/88/1026477288.db2.gz LHQXLABSHSSDEO-YOFSQIOKSA-N 2 2 330.903 4.104 20 0 EIADLP FC(F)(F)CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000375695339 1026544734 /nfs/dbraw/zinc/54/47/34/1026544734.db2.gz BQMZZVSSFKGGDI-AWEZNQCLSA-N 2 2 329.410 4.131 20 0 EIADLP FC(F)(F)CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000375695339 1026544748 /nfs/dbraw/zinc/54/47/48/1026544748.db2.gz BQMZZVSSFKGGDI-AWEZNQCLSA-N 2 2 329.410 4.131 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000124346171 1026809401 /nfs/dbraw/zinc/80/94/01/1026809401.db2.gz AKFQXNQEEJCOQH-CYBMUJFWSA-N 2 2 333.838 4.194 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000507520082 1026825245 /nfs/dbraw/zinc/82/52/45/1026825245.db2.gz MZQSGKHCUXRAHY-IRXDYDNUSA-N 2 2 343.540 4.268 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000507520082 1026825250 /nfs/dbraw/zinc/82/52/50/1026825250.db2.gz MZQSGKHCUXRAHY-IRXDYDNUSA-N 2 2 343.540 4.268 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684953850 1026889445 /nfs/dbraw/zinc/88/94/45/1026889445.db2.gz TUMBHDSAQJXRFK-OAQYLSRUSA-N 2 2 335.495 4.022 20 0 EIADLP Cc1ccc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2n1 ZINC000896196109 1027322540 /nfs/dbraw/zinc/32/25/40/1027322540.db2.gz WXVFRNWCPNYXRD-UHFFFAOYSA-N 2 2 332.451 4.015 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000474624489 1027323075 /nfs/dbraw/zinc/32/30/75/1027323075.db2.gz UZNXKEHIBXQZPV-IAGOWNOFSA-N 2 2 335.451 4.163 20 0 EIADLP Clc1ccc2[nH+]ccc(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000302670464 1027355863 /nfs/dbraw/zinc/35/58/63/1027355863.db2.gz NTPHWUBVUBTSMU-UHFFFAOYSA-N 2 2 326.831 4.076 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276886 1027369307 /nfs/dbraw/zinc/36/93/07/1027369307.db2.gz ZMIYKHRTDSAZCM-XRULBBBTSA-N 2 2 336.479 4.324 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276886 1027369325 /nfs/dbraw/zinc/36/93/25/1027369325.db2.gz ZMIYKHRTDSAZCM-XRULBBBTSA-N 2 2 336.479 4.324 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474821157 1027544824 /nfs/dbraw/zinc/54/48/24/1027544824.db2.gz JNSUMNOWWWQIMS-KBPBESRZSA-N 2 2 326.937 4.413 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474821157 1027544837 /nfs/dbraw/zinc/54/48/37/1027544837.db2.gz JNSUMNOWWWQIMS-KBPBESRZSA-N 2 2 326.937 4.413 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000161514307 1027588029 /nfs/dbraw/zinc/58/80/29/1027588029.db2.gz CBYPBJWJMPDRNV-MRXNPFEDSA-N 2 2 345.487 4.010 20 0 EIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000474881330 1027728211 /nfs/dbraw/zinc/72/82/11/1027728211.db2.gz HVFCCQJVEBOKJT-FBBABVLZSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921567 1027802510 /nfs/dbraw/zinc/80/25/10/1027802510.db2.gz DAXZWKCQAKUHSH-OXJNMPFZSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921567 1027802518 /nfs/dbraw/zinc/80/25/18/1027802518.db2.gz DAXZWKCQAKUHSH-OXJNMPFZSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923255 1027803412 /nfs/dbraw/zinc/80/34/12/1027803412.db2.gz PIJRFVJUILHMQI-PXNSSMCTSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923255 1027803420 /nfs/dbraw/zinc/80/34/20/1027803420.db2.gz PIJRFVJUILHMQI-PXNSSMCTSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923258 1027803503 /nfs/dbraw/zinc/80/35/03/1027803503.db2.gz PIJRFVJUILHMQI-XLIONFOSSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923258 1027803508 /nfs/dbraw/zinc/80/35/08/1027803508.db2.gz PIJRFVJUILHMQI-XLIONFOSSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000122016966 1027843136 /nfs/dbraw/zinc/84/31/36/1027843136.db2.gz XIFFHVBPRUXVBI-JKSUJKDBSA-N 2 2 349.434 4.055 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000444667175 1027951489 /nfs/dbraw/zinc/95/14/89/1027951489.db2.gz SEBADYRRBFCSPQ-CRAIPNDOSA-N 2 2 344.528 4.470 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000444667175 1027951499 /nfs/dbraw/zinc/95/14/99/1027951499.db2.gz SEBADYRRBFCSPQ-CRAIPNDOSA-N 2 2 344.528 4.470 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000189248472 1028108764 /nfs/dbraw/zinc/10/87/64/1028108764.db2.gz AEXTUGSIKAEJAQ-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382168 1028178328 /nfs/dbraw/zinc/17/83/28/1028178328.db2.gz RCDPVMSWAQXYHY-BAGYTPMASA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000428382168 1028178336 /nfs/dbraw/zinc/17/83/36/1028178336.db2.gz RCDPVMSWAQXYHY-BAGYTPMASA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000428382168 1028178346 /nfs/dbraw/zinc/17/83/46/1028178346.db2.gz RCDPVMSWAQXYHY-BAGYTPMASA-N 2 2 342.527 4.101 20 0 EIADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000428382168 1028178356 /nfs/dbraw/zinc/17/83/56/1028178356.db2.gz RCDPVMSWAQXYHY-BAGYTPMASA-N 2 2 342.527 4.101 20 0 EIADLP COc1ccc([C@@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346132310 1028273463 /nfs/dbraw/zinc/27/34/63/1028273463.db2.gz LCAUOUKKJYNLKK-CQSZACIVSA-N 2 2 327.453 4.135 20 0 EIADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346132310 1028273473 /nfs/dbraw/zinc/27/34/73/1028273473.db2.gz LCAUOUKKJYNLKK-CQSZACIVSA-N 2 2 327.453 4.135 20 0 EIADLP CC(C)C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000647282427 1028334215 /nfs/dbraw/zinc/33/42/15/1028334215.db2.gz VRNTXDFKKXALHS-OAQYLSRUSA-N 2 2 334.467 4.203 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282019419 1028438229 /nfs/dbraw/zinc/43/82/29/1028438229.db2.gz DXZPRVNHZKYOGX-PKOBYXMFSA-N 2 2 330.516 4.055 20 0 EIADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1SC ZINC000162899812 1028525727 /nfs/dbraw/zinc/52/57/27/1028525727.db2.gz VNIPNPCIAUPJNM-HNNXBMFYSA-N 2 2 345.512 4.355 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnc2ccsc2c1 ZINC000162902524 1028531382 /nfs/dbraw/zinc/53/13/82/1028531382.db2.gz BZLHYRFHXFDWCH-AWEZNQCLSA-N 2 2 326.469 4.234 20 0 EIADLP COc1ccc(C2([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000346738875 1028632573 /nfs/dbraw/zinc/63/25/73/1028632573.db2.gz BZFXCRRYMCYTIL-MRXNPFEDSA-N 2 2 333.435 4.221 20 0 EIADLP C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156204380 1028667000 /nfs/dbraw/zinc/66/70/00/1028667000.db2.gz LPGSMRJAGZWFBB-INIZCTEOSA-N 2 2 345.450 4.032 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000126811441 1028678409 /nfs/dbraw/zinc/67/84/09/1028678409.db2.gz SSKFYOLDCORACP-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000126811441 1028678413 /nfs/dbraw/zinc/67/84/13/1028678413.db2.gz SSKFYOLDCORACP-HUUCEWRRSA-N 2 2 349.931 4.359 20 0 EIADLP CSc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000156235656 1028681371 /nfs/dbraw/zinc/68/13/71/1028681371.db2.gz OKGSGIOOTPNZJJ-CQSZACIVSA-N 2 2 345.487 4.262 20 0 EIADLP Cc1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000346976871 1028837138 /nfs/dbraw/zinc/83/71/38/1028837138.db2.gz VOYIGIIHAWTFJO-WMLDXEAASA-N 2 2 344.528 4.073 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151034902 1028853866 /nfs/dbraw/zinc/85/38/66/1028853866.db2.gz QFWIXKMGCBUROO-ZUOKHONESA-N 2 2 339.389 4.174 20 0 EIADLP CC(C)c1nc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000157000097 1028889110 /nfs/dbraw/zinc/88/91/10/1028889110.db2.gz HYMOCMPFUSBEEC-OAHLLOKOSA-N 2 2 340.496 4.346 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000343438709 1029251519 /nfs/dbraw/zinc/25/15/19/1029251519.db2.gz FXLQQRWCYMXFQY-PMACEKPBSA-N 2 2 346.478 4.392 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151306918 1029472761 /nfs/dbraw/zinc/47/27/61/1029472761.db2.gz INCYSPXAXGHZJP-KSFYIVLOSA-N 2 2 349.453 4.484 20 0 EIADLP Fc1ccc([C@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000475336295 1029549591 /nfs/dbraw/zinc/54/95/91/1029549591.db2.gz NWORIRVQQKGLCH-ICSRJNTNSA-N 2 2 335.426 4.437 20 0 EIADLP CCc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)o2)cc1 ZINC000525289854 1029559614 /nfs/dbraw/zinc/55/96/14/1029559614.db2.gz YHGIDZBWKAWROU-SFHVURJKSA-N 2 2 335.451 4.373 20 0 EIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000343591389 1029562206 /nfs/dbraw/zinc/56/22/06/1029562206.db2.gz YPSPRQPODZHCAL-KRWDZBQOSA-N 2 2 335.879 4.312 20 0 EIADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475353211 1029569741 /nfs/dbraw/zinc/56/97/41/1029569741.db2.gz FPKNTVUOHPPGJR-HOBHPSKFSA-N 2 2 332.454 4.208 20 0 EIADLP CC[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H](C)C1 ZINC000446925012 1029641929 /nfs/dbraw/zinc/64/19/29/1029641929.db2.gz LCVUOLBWAQSNAR-UZLBHIALSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H](C)C1 ZINC000446925012 1029641939 /nfs/dbraw/zinc/64/19/39/1029641939.db2.gz LCVUOLBWAQSNAR-UZLBHIALSA-N 2 2 338.499 4.029 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000447099345 1029694675 /nfs/dbraw/zinc/69/46/75/1029694675.db2.gz RANBUOBLXUGPIG-KSSFIOAISA-N 2 2 326.440 4.150 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657840944 1029758035 /nfs/dbraw/zinc/75/80/35/1029758035.db2.gz ZATNPSNLPWMRSR-QGZVFWFLSA-N 2 2 349.478 4.451 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072186 1029899460 /nfs/dbraw/zinc/89/94/60/1029899460.db2.gz BMAQODBBWQSPEN-ZDUSSCGKSA-N 2 2 343.377 4.328 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072186 1029899461 /nfs/dbraw/zinc/89/94/61/1029899461.db2.gz BMAQODBBWQSPEN-ZDUSSCGKSA-N 2 2 343.377 4.328 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)cc1C ZINC000092073656 1029899709 /nfs/dbraw/zinc/89/97/09/1029899709.db2.gz WDZLPKXJLDKUBJ-AWEZNQCLSA-N 2 2 335.398 4.008 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3-n3cc[nH+]c3)oc21 ZINC000181569098 1029899840 /nfs/dbraw/zinc/89/98/40/1029899840.db2.gz UAGSIGVKKYUCTA-HNNXBMFYSA-N 2 2 347.418 4.478 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185354817 1030141006 /nfs/dbraw/zinc/14/10/06/1030141006.db2.gz NJPCGHWSXDQRGS-KXBFYZLASA-N 2 2 345.437 4.019 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185354817 1030141015 /nfs/dbraw/zinc/14/10/15/1030141015.db2.gz NJPCGHWSXDQRGS-KXBFYZLASA-N 2 2 345.437 4.019 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220317 1030214849 /nfs/dbraw/zinc/21/48/49/1030214849.db2.gz NMUBORVEJWTKTR-WMLDXEAASA-N 2 2 341.524 4.362 20 0 EIADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C24CCC4)CCC3)cc1 ZINC000530216265 1030225473 /nfs/dbraw/zinc/22/54/73/1030225473.db2.gz ABHVEPNVCXJYIB-DOTOQJQBSA-N 2 2 339.508 4.062 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447724732 1030308736 /nfs/dbraw/zinc/30/87/36/1030308736.db2.gz XXSMPYVXRUKJJB-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447724732 1030308756 /nfs/dbraw/zinc/30/87/56/1030308756.db2.gz XXSMPYVXRUKJJB-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000685462480 1030340461 /nfs/dbraw/zinc/34/04/61/1030340461.db2.gz KYKQOKCYRIBCKI-UHFFFAOYSA-N 2 2 329.444 4.273 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000685462480 1030340475 /nfs/dbraw/zinc/34/04/75/1030340475.db2.gz KYKQOKCYRIBCKI-UHFFFAOYSA-N 2 2 329.444 4.273 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000648462522 1030781361 /nfs/dbraw/zinc/78/13/61/1030781361.db2.gz CYNIJSLIGZBHPX-YADHBBJMSA-N 2 2 345.490 4.241 20 0 EIADLP CC(C)CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658294384 1030960682 /nfs/dbraw/zinc/96/06/82/1030960682.db2.gz MZAULAHAOUQWEB-VXKWHMMOSA-N 2 2 344.543 4.397 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191541 1030970209 /nfs/dbraw/zinc/97/02/09/1030970209.db2.gz GRMJSHFFWUWORU-QAPCUYQASA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191541 1030970233 /nfs/dbraw/zinc/97/02/33/1030970233.db2.gz GRMJSHFFWUWORU-QAPCUYQASA-N 2 2 330.859 4.128 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000658338258 1031004845 /nfs/dbraw/zinc/00/48/45/1031004845.db2.gz KDHRKCGVUXAWBT-NMNUPHIUSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000658338258 1031004859 /nfs/dbraw/zinc/00/48/59/1031004859.db2.gz KDHRKCGVUXAWBT-NMNUPHIUSA-N 2 2 349.522 4.268 20 0 EIADLP c1[nH+]c([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)n2c1CCCC2 ZINC000528000821 1031024359 /nfs/dbraw/zinc/02/43/59/1031024359.db2.gz HSXPYPFZIFXFFB-QGZVFWFLSA-N 2 2 332.451 4.152 20 0 EIADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355239 1031205748 /nfs/dbraw/zinc/20/57/48/1031205748.db2.gz NXLSDKCHWMRPEW-AABGKKOBSA-N 2 2 342.483 4.091 20 0 EIADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355239 1031205771 /nfs/dbraw/zinc/20/57/71/1031205771.db2.gz NXLSDKCHWMRPEW-AABGKKOBSA-N 2 2 342.483 4.091 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312699 1031207485 /nfs/dbraw/zinc/20/74/85/1031207485.db2.gz LXZQIBDEKJULMP-CEXWTWQISA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312699 1031207504 /nfs/dbraw/zinc/20/75/04/1031207504.db2.gz LXZQIBDEKJULMP-CEXWTWQISA-N 2 2 327.472 4.168 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000340363623 1031212196 /nfs/dbraw/zinc/21/21/96/1031212196.db2.gz IVZANWZBRQSDOL-VDGAXYAQSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000340363623 1031212201 /nfs/dbraw/zinc/21/22/01/1031212201.db2.gz IVZANWZBRQSDOL-VDGAXYAQSA-N 2 2 340.442 4.074 20 0 EIADLP COc1ccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000532589638 1031319973 /nfs/dbraw/zinc/31/99/73/1031319973.db2.gz YCPVZZAYMFJBIR-UHFFFAOYSA-N 2 2 347.462 4.261 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531701908 1031487512 /nfs/dbraw/zinc/48/75/12/1031487512.db2.gz NDYOMYSWLMIHCS-OAHLLOKOSA-N 2 2 340.496 4.446 20 0 EIADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000449229431 1031557897 /nfs/dbraw/zinc/55/78/97/1031557897.db2.gz AYRMUDFYUZCCIS-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000449229431 1031557906 /nfs/dbraw/zinc/55/79/06/1031557906.db2.gz AYRMUDFYUZCCIS-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2cccnc2o1 ZINC000449306088 1031610526 /nfs/dbraw/zinc/61/05/26/1031610526.db2.gz JNVVPUXZHQFEOC-HXUWFJFHSA-N 2 2 349.478 4.218 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2cccnc2o1 ZINC000449306088 1031610536 /nfs/dbraw/zinc/61/05/36/1031610536.db2.gz JNVVPUXZHQFEOC-HXUWFJFHSA-N 2 2 349.478 4.218 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981019 1031645910 /nfs/dbraw/zinc/64/59/10/1031645910.db2.gz NUZQGLZOWSJFGQ-UDIDDNNKSA-N 2 2 349.522 4.174 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981019 1031645921 /nfs/dbraw/zinc/64/59/21/1031645921.db2.gz NUZQGLZOWSJFGQ-UDIDDNNKSA-N 2 2 349.522 4.174 20 0 EIADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000449349416 1031646822 /nfs/dbraw/zinc/64/68/22/1031646822.db2.gz JGHZQASKTPISLF-GOSISDBHSA-N 2 2 345.418 4.379 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cn1 ZINC000126401507 1031647120 /nfs/dbraw/zinc/64/71/20/1031647120.db2.gz IBMNMVXKHNEOFG-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1F ZINC000126407875 1031647416 /nfs/dbraw/zinc/64/74/16/1031647416.db2.gz DUKSZYUPIRQVNS-GOSISDBHSA-N 2 2 342.393 4.095 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453177550 1031650119 /nfs/dbraw/zinc/65/01/19/1031650119.db2.gz RXIMIOHEAOZGPE-HRAATJIYSA-N 2 2 327.516 4.165 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H](C3CC3)C3CCCC3)C2)CC1 ZINC000453225068 1031746411 /nfs/dbraw/zinc/74/64/11/1031746411.db2.gz SKWNAUICIGRFGK-DAWZGUTISA-N 2 2 344.465 4.350 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000531941149 1031854437 /nfs/dbraw/zinc/85/44/37/1031854437.db2.gz SYNXIUQFACCOCY-GHTZIAJQSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000531941149 1031854443 /nfs/dbraw/zinc/85/44/43/1031854443.db2.gz SYNXIUQFACCOCY-GHTZIAJQSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1sccc1Br ZINC000531956226 1031873156 /nfs/dbraw/zinc/87/31/56/1031873156.db2.gz KHGOIGHCGFDZRT-NSHDSACASA-N 2 2 343.334 4.036 20 0 EIADLP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459358554 1031920810 /nfs/dbraw/zinc/92/08/10/1031920810.db2.gz BCRZSWPARSLNLY-WZONZLPQSA-N 2 2 345.490 4.041 20 0 EIADLP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459358554 1031920822 /nfs/dbraw/zinc/92/08/22/1031920822.db2.gz BCRZSWPARSLNLY-WZONZLPQSA-N 2 2 345.490 4.041 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532016371 1031980725 /nfs/dbraw/zinc/98/07/25/1031980725.db2.gz CEVBLGVPRIDKSR-QGZVFWFLSA-N 2 2 333.863 4.129 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264680 1032027759 /nfs/dbraw/zinc/02/77/59/1032027759.db2.gz LKHFTQMVZLDIST-LBTNJELSSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264680 1032027767 /nfs/dbraw/zinc/02/77/67/1032027767.db2.gz LKHFTQMVZLDIST-LBTNJELSSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264680 1032027783 /nfs/dbraw/zinc/02/77/83/1032027783.db2.gz LKHFTQMVZLDIST-LBTNJELSSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168264680 1032027796 /nfs/dbraw/zinc/02/77/96/1032027796.db2.gz LKHFTQMVZLDIST-LBTNJELSSA-N 2 2 336.882 4.489 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739587 1033838827 /nfs/dbraw/zinc/83/88/27/1033838827.db2.gz KOFGJIHWIZSRTF-MRXNPFEDSA-N 2 2 343.902 4.052 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739587 1033838828 /nfs/dbraw/zinc/83/88/28/1033838828.db2.gz KOFGJIHWIZSRTF-MRXNPFEDSA-N 2 2 343.902 4.052 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739587 1033838829 /nfs/dbraw/zinc/83/88/29/1033838829.db2.gz KOFGJIHWIZSRTF-MRXNPFEDSA-N 2 2 343.902 4.052 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739587 1033838832 /nfs/dbraw/zinc/83/88/32/1033838832.db2.gz KOFGJIHWIZSRTF-MRXNPFEDSA-N 2 2 343.902 4.052 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739586 1033839594 /nfs/dbraw/zinc/83/95/94/1033839594.db2.gz KOFGJIHWIZSRTF-INIZCTEOSA-N 2 2 343.902 4.052 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739586 1033839604 /nfs/dbraw/zinc/83/96/04/1033839604.db2.gz KOFGJIHWIZSRTF-INIZCTEOSA-N 2 2 343.902 4.052 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739586 1033839611 /nfs/dbraw/zinc/83/96/11/1033839611.db2.gz KOFGJIHWIZSRTF-INIZCTEOSA-N 2 2 343.902 4.052 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000512739586 1033839617 /nfs/dbraw/zinc/83/96/17/1033839617.db2.gz KOFGJIHWIZSRTF-INIZCTEOSA-N 2 2 343.902 4.052 20 0 EIADLP Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000512783969 1033934702 /nfs/dbraw/zinc/93/47/02/1033934702.db2.gz UEUBEOQSUOYQLQ-ICSRJNTNSA-N 2 2 343.902 4.168 20 0 EIADLP Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000512783969 1033934706 /nfs/dbraw/zinc/93/47/06/1033934706.db2.gz UEUBEOQSUOYQLQ-ICSRJNTNSA-N 2 2 343.902 4.168 20 0 EIADLP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000512783969 1033934711 /nfs/dbraw/zinc/93/47/11/1033934711.db2.gz UEUBEOQSUOYQLQ-ICSRJNTNSA-N 2 2 343.902 4.168 20 0 EIADLP Cc1cc(Cl)cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000512783969 1033934721 /nfs/dbraw/zinc/93/47/21/1033934721.db2.gz UEUBEOQSUOYQLQ-ICSRJNTNSA-N 2 2 343.902 4.168 20 0 EIADLP C[N@@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000512784121 1033934910 /nfs/dbraw/zinc/93/49/10/1033934910.db2.gz VDBVCPURKVPNDN-GOTSBHOMSA-N 2 2 349.522 4.474 20 0 EIADLP C[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000512784121 1033934922 /nfs/dbraw/zinc/93/49/22/1033934922.db2.gz VDBVCPURKVPNDN-GOTSBHOMSA-N 2 2 349.522 4.474 20 0 EIADLP C[NH+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000512784121 1033934937 /nfs/dbraw/zinc/93/49/37/1033934937.db2.gz VDBVCPURKVPNDN-GOTSBHOMSA-N 2 2 349.522 4.474 20 0 EIADLP C[NH+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000512784121 1033934948 /nfs/dbraw/zinc/93/49/48/1033934948.db2.gz VDBVCPURKVPNDN-GOTSBHOMSA-N 2 2 349.522 4.474 20 0 EIADLP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513147596 1034658292 /nfs/dbraw/zinc/65/82/92/1034658292.db2.gz BXZUWTGTDYHVHT-DFNIBXOVSA-N 2 2 348.918 4.186 20 0 EIADLP C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513147596 1034658300 /nfs/dbraw/zinc/65/83/00/1034658300.db2.gz BXZUWTGTDYHVHT-DFNIBXOVSA-N 2 2 348.918 4.186 20 0 EIADLP C[NH+](Cc1cc(Cl)ccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513147596 1034658306 /nfs/dbraw/zinc/65/83/06/1034658306.db2.gz BXZUWTGTDYHVHT-DFNIBXOVSA-N 2 2 348.918 4.186 20 0 EIADLP C[NH+](Cc1cc(Cl)ccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513147596 1034658316 /nfs/dbraw/zinc/65/83/16/1034658316.db2.gz BXZUWTGTDYHVHT-DFNIBXOVSA-N 2 2 348.918 4.186 20 0 EIADLP CCOc1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496144 1034986831 /nfs/dbraw/zinc/98/68/31/1034986831.db2.gz AEHPDHWKPPWMKO-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CCOc1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513496144 1034986838 /nfs/dbraw/zinc/98/68/38/1034986838.db2.gz AEHPDHWKPPWMKO-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCOc3cccc4ccccc43)cc2)c[nH+]1 ZINC000513648546 1035078993 /nfs/dbraw/zinc/07/89/93/1035078993.db2.gz RHOFYSWBXSYZJY-UHFFFAOYSA-N 2 2 343.430 4.194 20 0 EIADLP Cc1nc([C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000420297293 1035495653 /nfs/dbraw/zinc/49/56/53/1035495653.db2.gz YMHSAACXJWKGRJ-CYBMUJFWSA-N 2 2 335.879 4.281 20 0 EIADLP Cc1nc([C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000420297293 1035495655 /nfs/dbraw/zinc/49/56/55/1035495655.db2.gz YMHSAACXJWKGRJ-CYBMUJFWSA-N 2 2 335.879 4.281 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286940 1035500218 /nfs/dbraw/zinc/50/02/18/1035500218.db2.gz HCJSHYBLDLHBQC-FFSVYQOJSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286940 1035500227 /nfs/dbraw/zinc/50/02/27/1035500227.db2.gz HCJSHYBLDLHBQC-FFSVYQOJSA-N 2 2 333.863 4.034 20 0 EIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290230 1035500283 /nfs/dbraw/zinc/50/02/83/1035500283.db2.gz LPYZOFZVAFKCKA-CHWSQXEVSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290230 1035500294 /nfs/dbraw/zinc/50/02/94/1035500294.db2.gz LPYZOFZVAFKCKA-CHWSQXEVSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000571254429 1036011868 /nfs/dbraw/zinc/01/18/68/1036011868.db2.gz JQIJAQDCWISIRX-CYBMUJFWSA-N 2 2 342.270 4.027 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571690104 1036122965 /nfs/dbraw/zinc/12/29/65/1036122965.db2.gz YSXVTETYJYNWHN-NIRMNWTQSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571690104 1036122971 /nfs/dbraw/zinc/12/29/71/1036122971.db2.gz YSXVTETYJYNWHN-NIRMNWTQSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571690106 1036127402 /nfs/dbraw/zinc/12/74/02/1036127402.db2.gz YSXVTETYJYNWHN-ZHDKGAKHSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571690106 1036127430 /nfs/dbraw/zinc/12/74/30/1036127430.db2.gz YSXVTETYJYNWHN-ZHDKGAKHSA-N 2 2 336.479 4.151 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000502431782 1036196874 /nfs/dbraw/zinc/19/68/74/1036196874.db2.gz PFLNPZNRGJTFTO-ABSDTBQOSA-N 2 2 326.484 4.458 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000502431782 1036196887 /nfs/dbraw/zinc/19/68/87/1036196887.db2.gz PFLNPZNRGJTFTO-ABSDTBQOSA-N 2 2 326.484 4.458 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1Cl ZINC000421820447 1036774443 /nfs/dbraw/zinc/77/44/43/1036774443.db2.gz MIIWFNILIXOYJF-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C(C)C)c(F)c1 ZINC000421828968 1036787285 /nfs/dbraw/zinc/78/72/85/1036787285.db2.gz GGUMZJWGRIFGAY-BEFAXECRSA-N 2 2 345.462 4.204 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC3(CC3)CC2)CCOCC1)c1ccccc1 ZINC000486719014 1036825405 /nfs/dbraw/zinc/82/54/05/1036825405.db2.gz FNZMYHKCCJVEPZ-GOSISDBHSA-N 2 2 342.527 4.199 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421895409 1036845256 /nfs/dbraw/zinc/84/52/56/1036845256.db2.gz YNFDDSIUZLYAIH-DOTOQJQBSA-N 2 2 327.497 4.056 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C/C=C\c2ccncc2)CCCC1)c1ccccc1 ZINC000487288192 1037103039 /nfs/dbraw/zinc/10/30/39/1037103039.db2.gz LRAOJMVEHXKKMC-FQQSSWHASA-N 2 2 335.495 4.348 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000487309858 1037109646 /nfs/dbraw/zinc/10/96/46/1037109646.db2.gz PCIDXPOKIXMLAZ-UHFFFAOYSA-N 2 2 336.907 4.235 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000573046126 1037238386 /nfs/dbraw/zinc/23/83/86/1037238386.db2.gz QSYGMHRDECEMFG-PTNGSMBKSA-N 2 2 337.389 4.327 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000573046126 1037238417 /nfs/dbraw/zinc/23/84/17/1037238417.db2.gz QSYGMHRDECEMFG-PTNGSMBKSA-N 2 2 337.389 4.327 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)n2c1CCCC2 ZINC000669714389 1037358891 /nfs/dbraw/zinc/35/88/91/1037358891.db2.gz ACZJSZZPMNJENV-HXUWFJFHSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)n2c1CCCC2 ZINC000669714389 1037358909 /nfs/dbraw/zinc/35/89/09/1037358909.db2.gz ACZJSZZPMNJENV-HXUWFJFHSA-N 2 2 346.478 4.147 20 0 EIADLP C[NH+](C)[C@H](CNc1cc[nH+]c2cc(F)ccc12)c1c(F)cccc1F ZINC000604379039 1037366580 /nfs/dbraw/zinc/36/65/80/1037366580.db2.gz IICCDGPVGXWYDA-GOSISDBHSA-N 2 2 345.368 4.367 20 0 EIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000488304556 1037496612 /nfs/dbraw/zinc/49/66/12/1037496612.db2.gz WMFRDGBOXQWNLY-KRWDZBQOSA-N 2 2 343.490 4.251 20 0 EIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)CC1 ZINC000488304556 1037496620 /nfs/dbraw/zinc/49/66/20/1037496620.db2.gz WMFRDGBOXQWNLY-KRWDZBQOSA-N 2 2 343.490 4.251 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ccccc21 ZINC000422823498 1037841408 /nfs/dbraw/zinc/84/14/08/1037841408.db2.gz DKRCEIXNCKDGRW-GOTSBHOMSA-N 3 2 349.522 4.297 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ccccc21 ZINC000422823499 1037842343 /nfs/dbraw/zinc/84/23/43/1037842343.db2.gz DKRCEIXNCKDGRW-PKTZIBPZSA-N 3 2 349.522 4.297 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422852465 1037846207 /nfs/dbraw/zinc/84/62/07/1037846207.db2.gz ATVJZJVXVOLHHT-YADHBBJMSA-N 2 2 338.495 4.024 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885707 1037853585 /nfs/dbraw/zinc/85/35/85/1037853585.db2.gz UZHWUEWLEJXHDK-ZQMYSKGWSA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885707 1037853589 /nfs/dbraw/zinc/85/35/89/1037853589.db2.gz UZHWUEWLEJXHDK-ZQMYSKGWSA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885702 1037854868 /nfs/dbraw/zinc/85/48/68/1037854868.db2.gz UZHWUEWLEJXHDK-NLSFWIRASA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422885702 1037854870 /nfs/dbraw/zinc/85/48/70/1037854870.db2.gz UZHWUEWLEJXHDK-NLSFWIRASA-N 3 2 349.522 4.295 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422872597 1037858905 /nfs/dbraw/zinc/85/89/05/1037858905.db2.gz HSHQRHKHIGOWNN-SFTDATJTSA-N 2 2 346.478 4.230 20 0 EIADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000422972899 1037893015 /nfs/dbraw/zinc/89/30/15/1037893015.db2.gz AVIPPPVXSUCALR-YSSFQJQWSA-N 2 2 339.483 4.129 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000423076417 1037933041 /nfs/dbraw/zinc/93/30/41/1037933041.db2.gz ZCADWIJQZRTDGA-CYBMUJFWSA-N 2 2 333.863 4.177 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095977 1037936286 /nfs/dbraw/zinc/93/62/86/1037936286.db2.gz WLAKMMDRFDEFMT-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095977 1037936304 /nfs/dbraw/zinc/93/63/04/1037936304.db2.gz WLAKMMDRFDEFMT-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000574095977 1037936319 /nfs/dbraw/zinc/93/63/19/1037936319.db2.gz WLAKMMDRFDEFMT-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000574095977 1037936329 /nfs/dbraw/zinc/93/63/29/1037936329.db2.gz WLAKMMDRFDEFMT-GGAORHGYSA-N 2 2 349.522 4.131 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 ZINC000423146707 1037996150 /nfs/dbraw/zinc/99/61/50/1037996150.db2.gz PZXZJYVYQORRRP-SJORKVTESA-N 2 2 348.368 4.309 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc2cc1C ZINC000423193122 1038049401 /nfs/dbraw/zinc/04/94/01/1038049401.db2.gz WOTFHMGZEUALAL-KRWDZBQOSA-N 2 2 337.467 4.275 20 0 EIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000606470923 1038096590 /nfs/dbraw/zinc/09/65/90/1038096590.db2.gz GBSLUUSJJOQIDH-IFMALSPDSA-N 2 2 331.463 4.373 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC[NH2+]1 ZINC000423369186 1038184892 /nfs/dbraw/zinc/18/48/92/1038184892.db2.gz FQRRWPJQRMFJOX-ZNOIYHFQSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000423502100 1038258535 /nfs/dbraw/zinc/25/85/35/1038258535.db2.gz LTUZUQCJTBSEJY-YWZLYKJASA-N 2 2 325.456 4.042 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000423510502 1038266858 /nfs/dbraw/zinc/26/68/58/1038266858.db2.gz SJPORGLJEDSQHY-RTWAWAEBSA-N 2 2 344.474 4.145 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000423518022 1038275196 /nfs/dbraw/zinc/27/51/96/1038275196.db2.gz ZAPXYKSXSQXWFT-RBUKOAKNSA-N 2 2 342.483 4.007 20 0 EIADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000490128996 1038351643 /nfs/dbraw/zinc/35/16/43/1038351643.db2.gz BKRXKDJXYIFBAP-QHCPKHFHSA-N 2 2 345.490 4.450 20 0 EIADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000490131540 1038355640 /nfs/dbraw/zinc/35/56/40/1038355640.db2.gz XGEIGJPKCXQMPB-IBGZPJMESA-N 2 2 343.540 4.168 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000424322173 1038804528 /nfs/dbraw/zinc/80/45/28/1038804528.db2.gz UZYACOCZIWTTNB-UONOGXRCSA-N 2 2 333.863 4.082 20 0 EIADLP CC(C)[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773027 1038808213 /nfs/dbraw/zinc/80/82/13/1038808213.db2.gz YHIWOJQMEXVRBW-FGZHOGPDSA-N 2 2 337.511 4.279 20 0 EIADLP CC(C)[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773027 1038808214 /nfs/dbraw/zinc/80/82/14/1038808214.db2.gz YHIWOJQMEXVRBW-FGZHOGPDSA-N 2 2 337.511 4.279 20 0 EIADLP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c1 ZINC000480787822 1038818232 /nfs/dbraw/zinc/81/82/32/1038818232.db2.gz RSNJBXVUVFAPAT-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP Brc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000539164220 1038865095 /nfs/dbraw/zinc/86/50/95/1038865095.db2.gz QQANQSIQFQQATI-KRWDZBQOSA-N 2 2 348.288 4.167 20 0 EIADLP C[N@H+](CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C1CCCCC1 ZINC000552040779 1039060484 /nfs/dbraw/zinc/06/04/84/1039060484.db2.gz XIKHMNHXINUWIO-IBGZPJMESA-N 2 2 332.536 4.275 20 0 EIADLP C[N@@H+](CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C1CCCCC1 ZINC000552040779 1039060504 /nfs/dbraw/zinc/06/05/04/1039060504.db2.gz XIKHMNHXINUWIO-IBGZPJMESA-N 2 2 332.536 4.275 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000090667887 1039271828 /nfs/dbraw/zinc/27/18/28/1039271828.db2.gz FSHNABXDQIDQJL-LSDHHAIUSA-N 2 2 345.437 4.236 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000552256656 1039318133 /nfs/dbraw/zinc/31/81/33/1039318133.db2.gz WJTLDRFBMCGRFR-NVXWUHKLSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000552256656 1039318144 /nfs/dbraw/zinc/31/81/44/1039318144.db2.gz WJTLDRFBMCGRFR-NVXWUHKLSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256656 1039318160 /nfs/dbraw/zinc/31/81/60/1039318160.db2.gz WJTLDRFBMCGRFR-NVXWUHKLSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256656 1039318172 /nfs/dbraw/zinc/31/81/72/1039318172.db2.gz WJTLDRFBMCGRFR-NVXWUHKLSA-N 2 2 332.875 4.418 20 0 EIADLP C[N@H+](C[C@@H]1CCCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000534348432 1039339168 /nfs/dbraw/zinc/33/91/68/1039339168.db2.gz YWYJBTVEEXTGOC-LJQANCHMSA-N 2 2 343.559 4.237 20 0 EIADLP C[N@@H+](C[C@@H]1CCCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000534348432 1039339186 /nfs/dbraw/zinc/33/91/86/1039339186.db2.gz YWYJBTVEEXTGOC-LJQANCHMSA-N 2 2 343.559 4.237 20 0 EIADLP CCCCOc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000481409487 1039391882 /nfs/dbraw/zinc/39/18/82/1039391882.db2.gz WHYZJQQGOLJHOE-UHFFFAOYSA-N 2 2 345.531 4.147 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415517 1039438384 /nfs/dbraw/zinc/43/83/84/1039438384.db2.gz CWESGZXCEOBIGX-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415517 1039438388 /nfs/dbraw/zinc/43/83/88/1039438388.db2.gz CWESGZXCEOBIGX-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(C)ccc1OC ZINC000093396725 1039690378 /nfs/dbraw/zinc/69/03/78/1039690378.db2.gz GTMLAZZWZZOBCB-NRFANRHFSA-N 2 2 349.478 4.489 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434676584 1039809918 /nfs/dbraw/zinc/80/99/18/1039809918.db2.gz SBJNKQPOXDNWIX-CQSZACIVSA-N 2 2 345.437 4.438 20 0 EIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000482237016 1040094917 /nfs/dbraw/zinc/09/49/17/1040094917.db2.gz JFSICOAONIAGDM-IBGZPJMESA-N 2 2 329.463 4.270 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000479163420 1040189357 /nfs/dbraw/zinc/18/93/57/1040189357.db2.gz FIIHYZLBHUOFOC-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000482362197 1040202612 /nfs/dbraw/zinc/20/26/12/1040202612.db2.gz VSZBVVZWTSTGKC-CABCVRRESA-N 2 2 339.321 4.220 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000482362197 1040202623 /nfs/dbraw/zinc/20/26/23/1040202623.db2.gz VSZBVVZWTSTGKC-CABCVRRESA-N 2 2 339.321 4.220 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)s1 ZINC000425370491 1040357887 /nfs/dbraw/zinc/35/78/87/1040357887.db2.gz JNAQPPJSXUFXDL-KRWDZBQOSA-N 2 2 329.513 4.178 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)s1 ZINC000425370491 1040357896 /nfs/dbraw/zinc/35/78/96/1040357896.db2.gz JNAQPPJSXUFXDL-KRWDZBQOSA-N 2 2 329.513 4.178 20 0 EIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000479598929 1040498581 /nfs/dbraw/zinc/49/85/81/1040498581.db2.gz DFADGVLJTLBFGR-UHFFFAOYSA-N 3 2 346.544 4.068 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539654433 1040645950 /nfs/dbraw/zinc/64/59/50/1040645950.db2.gz IBAUNCBGIKHPOF-MJGOQNOKSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539654433 1040645955 /nfs/dbraw/zinc/64/59/55/1040645955.db2.gz IBAUNCBGIKHPOF-MJGOQNOKSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000483141137 1040734011 /nfs/dbraw/zinc/73/40/11/1040734011.db2.gz FZBSQXSGLHQORU-XCJLJZCSSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000483141137 1040734033 /nfs/dbraw/zinc/73/40/33/1040734033.db2.gz FZBSQXSGLHQORU-XCJLJZCSSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc3sccc31)CCC2 ZINC000483432580 1040856267 /nfs/dbraw/zinc/85/62/67/1040856267.db2.gz JDTUDKMXKHTMEV-GZBFAFLISA-N 2 2 333.526 4.346 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(Cl)c1 ZINC000462736994 1040882027 /nfs/dbraw/zinc/88/20/27/1040882027.db2.gz OJFBJHIKPAULKZ-OAHLLOKOSA-N 2 2 341.842 4.083 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(F)cc1 ZINC000483618638 1040913821 /nfs/dbraw/zinc/91/38/21/1040913821.db2.gz GKDLJRAEDLNNTE-CVEARBPZSA-N 2 2 339.414 4.130 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000480139559 1040987563 /nfs/dbraw/zinc/98/75/63/1040987563.db2.gz AOFRZRJXEFQUMO-OAQYLSRUSA-N 2 2 325.500 4.281 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000480139559 1040987590 /nfs/dbraw/zinc/98/75/90/1040987590.db2.gz AOFRZRJXEFQUMO-OAQYLSRUSA-N 2 2 325.500 4.281 20 0 EIADLP C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000436251594 1041005015 /nfs/dbraw/zinc/00/50/15/1041005015.db2.gz ZBTFJXLAKNRXTH-CQSZACIVSA-N 2 2 334.398 4.344 20 0 EIADLP Cc1cc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)ccc1F ZINC000538098356 1041050209 /nfs/dbraw/zinc/05/02/09/1041050209.db2.gz FPKNTIQHPUZBNF-HXUWFJFHSA-N 2 2 327.447 4.462 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000484013265 1041092204 /nfs/dbraw/zinc/09/22/04/1041092204.db2.gz KRAYGOVEMGBRAU-MRXNPFEDSA-N 2 2 337.389 4.344 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000484013265 1041092207 /nfs/dbraw/zinc/09/22/07/1041092207.db2.gz KRAYGOVEMGBRAU-MRXNPFEDSA-N 2 2 337.389 4.344 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000484019780 1041096591 /nfs/dbraw/zinc/09/65/91/1041096591.db2.gz QVKNABKRCGQAAF-MRXNPFEDSA-N 2 2 325.378 4.247 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480250537 1041131174 /nfs/dbraw/zinc/13/11/74/1041131174.db2.gz RMMWANYPJXZPHT-OAHLLOKOSA-N 2 2 339.405 4.185 20 0 EIADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000463026931 1041237095 /nfs/dbraw/zinc/23/70/95/1041237095.db2.gz DIXSXMCFUWSBML-ZYSHUDEJSA-N 2 2 327.472 4.115 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281733 1041241131 /nfs/dbraw/zinc/24/11/31/1041241131.db2.gz QZMQVQWVJGAKCW-APWZRJJASA-N 2 2 349.950 4.102 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281733 1041241143 /nfs/dbraw/zinc/24/11/43/1041241143.db2.gz QZMQVQWVJGAKCW-APWZRJJASA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281733 1041241157 /nfs/dbraw/zinc/24/11/57/1041241157.db2.gz QZMQVQWVJGAKCW-APWZRJJASA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281733 1041241172 /nfs/dbraw/zinc/24/11/72/1041241172.db2.gz QZMQVQWVJGAKCW-APWZRJJASA-N 2 2 349.950 4.102 20 0 EIADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484490469 1041263392 /nfs/dbraw/zinc/26/33/92/1041263392.db2.gz QPFWXCYCYYFUCS-CRAIPNDOSA-N 2 2 338.586 4.275 20 0 EIADLP C[C@H]1CCN(c2cc[nH+]c3ccsc32)CC[N@@H+]1Cc1ccccc1 ZINC000463061968 1041295063 /nfs/dbraw/zinc/29/50/63/1041295063.db2.gz MAIYJEANARACJO-INIZCTEOSA-N 2 2 337.492 4.397 20 0 EIADLP C[C@H]1CCN(c2cc[nH+]c3ccsc32)CC[N@H+]1Cc1ccccc1 ZINC000463061968 1041295089 /nfs/dbraw/zinc/29/50/89/1041295089.db2.gz MAIYJEANARACJO-INIZCTEOSA-N 2 2 337.492 4.397 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1Br ZINC000484495118 1041302871 /nfs/dbraw/zinc/30/28/71/1041302871.db2.gz PYUNBOZGNLBGJP-FPMFFAJLSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cc1 ZINC000538557760 1041420568 /nfs/dbraw/zinc/42/05/68/1041420568.db2.gz LWMGAINMYIUUOW-KBXCAEBGSA-N 2 2 344.890 4.048 20 0 EIADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccs1 ZINC000538590713 1041441004 /nfs/dbraw/zinc/44/10/04/1041441004.db2.gz PFYAKOJIPACNOG-QGZVFWFLSA-N 2 2 344.528 4.237 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722299 1041492347 /nfs/dbraw/zinc/49/23/47/1041492347.db2.gz IOSUVVXGKOUWLU-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722299 1041492351 /nfs/dbraw/zinc/49/23/51/1041492351.db2.gz IOSUVVXGKOUWLU-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722299 1041492354 /nfs/dbraw/zinc/49/23/54/1041492354.db2.gz IOSUVVXGKOUWLU-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538722299 1041492360 /nfs/dbraw/zinc/49/23/60/1041492360.db2.gz IOSUVVXGKOUWLU-MRXNPFEDSA-N 2 2 335.561 4.355 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000480748972 1041504784 /nfs/dbraw/zinc/50/47/84/1041504784.db2.gz YKYVHEXTVXILFG-ROUUACIJSA-N 2 2 335.451 4.201 20 0 EIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000538965222 1041592289 /nfs/dbraw/zinc/59/22/89/1041592289.db2.gz PIPXJOZBANKFLV-UHFFFAOYSA-N 2 2 327.472 4.117 20 0 EIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000538965222 1041592297 /nfs/dbraw/zinc/59/22/97/1041592297.db2.gz PIPXJOZBANKFLV-UHFFFAOYSA-N 2 2 327.472 4.117 20 0 EIADLP c1csc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)c1 ZINC000538987573 1041603250 /nfs/dbraw/zinc/60/32/50/1041603250.db2.gz DDLUFMJUEZNQDL-LJQANCHMSA-N 2 2 348.556 4.214 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000540757470 1041643627 /nfs/dbraw/zinc/64/36/27/1041643627.db2.gz UZEXOCQKIHMVGB-XLIONFOSSA-N 2 2 338.499 4.012 20 0 EIADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000437109351 1041652502 /nfs/dbraw/zinc/65/25/02/1041652502.db2.gz ICWYMLJTTXSGFH-UHFFFAOYSA-N 2 2 326.406 4.025 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000467353800 1041716929 /nfs/dbraw/zinc/71/69/29/1041716929.db2.gz LGWCTGBRAVOOBJ-MJGOQNOKSA-N 2 2 329.875 4.372 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915754 1041736104 /nfs/dbraw/zinc/73/61/04/1041736104.db2.gz UBRWYNGRVXGNLN-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915754 1041736111 /nfs/dbraw/zinc/73/61/11/1041736111.db2.gz UBRWYNGRVXGNLN-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP FC(F)(F)c1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000437691003 1041880487 /nfs/dbraw/zinc/88/04/87/1041880487.db2.gz XOOLHBCPCDUKMD-UHFFFAOYSA-N 2 2 343.780 4.462 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936780 1041985198 /nfs/dbraw/zinc/98/51/98/1041985198.db2.gz JPVZDYSRRQHCGK-WOJBJXKFSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936780 1041985207 /nfs/dbraw/zinc/98/52/07/1041985207.db2.gz JPVZDYSRRQHCGK-WOJBJXKFSA-N 2 2 343.902 4.093 20 0 EIADLP Clc1ccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000517547326 1042076091 /nfs/dbraw/zinc/07/60/91/1042076091.db2.gz NNVDHVQAKJQZPD-UHFFFAOYSA-N 2 2 325.843 4.248 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000464775441 1042158906 /nfs/dbraw/zinc/15/89/06/1042158906.db2.gz JHSOPFJUOVMLJO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000464775441 1042158910 /nfs/dbraw/zinc/15/89/10/1042158910.db2.gz JHSOPFJUOVMLJO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844564 1042194118 /nfs/dbraw/zinc/19/41/18/1042194118.db2.gz IGEOVIRZCLZCJW-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844564 1042194123 /nfs/dbraw/zinc/19/41/23/1042194123.db2.gz IGEOVIRZCLZCJW-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844564 1042194129 /nfs/dbraw/zinc/19/41/29/1042194129.db2.gz IGEOVIRZCLZCJW-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844564 1042194134 /nfs/dbraw/zinc/19/41/34/1042194134.db2.gz IGEOVIRZCLZCJW-AEFFLSMTSA-N 2 2 344.449 4.480 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000506392946 1042376696 /nfs/dbraw/zinc/37/66/96/1042376696.db2.gz BGGNSDLQIBDJPH-UHFFFAOYSA-N 2 2 332.385 4.149 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000506392946 1042376704 /nfs/dbraw/zinc/37/67/04/1042376704.db2.gz BGGNSDLQIBDJPH-UHFFFAOYSA-N 2 2 332.385 4.149 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294272 1042527635 /nfs/dbraw/zinc/52/76/35/1042527635.db2.gz SVMVVALVJIMJGG-WHSLLNHNSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426294272 1042527639 /nfs/dbraw/zinc/52/76/39/1042527639.db2.gz SVMVVALVJIMJGG-WHSLLNHNSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309769544 1042821329 /nfs/dbraw/zinc/82/13/29/1042821329.db2.gz AQUHNIAQAFYUSP-INIZCTEOSA-N 2 2 332.850 4.091 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309769544 1042821330 /nfs/dbraw/zinc/82/13/30/1042821330.db2.gz AQUHNIAQAFYUSP-INIZCTEOSA-N 2 2 332.850 4.091 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000310364083 1042835093 /nfs/dbraw/zinc/83/50/93/1042835093.db2.gz LLDBQDNZTRHRSF-ROUUACIJSA-N 2 2 335.451 4.201 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367852 1042901093 /nfs/dbraw/zinc/90/10/93/1042901093.db2.gz WBMFYIWTMYBVTO-SJLPKXTDSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367852 1042901098 /nfs/dbraw/zinc/90/10/98/1042901098.db2.gz WBMFYIWTMYBVTO-SJLPKXTDSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000493367852 1042901103 /nfs/dbraw/zinc/90/11/03/1042901103.db2.gz WBMFYIWTMYBVTO-SJLPKXTDSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000493367852 1042901106 /nfs/dbraw/zinc/90/11/06/1042901106.db2.gz WBMFYIWTMYBVTO-SJLPKXTDSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000427607023 1042931863 /nfs/dbraw/zinc/93/18/63/1042931863.db2.gz QERSXKZWWKSCBI-JOCHJYFZSA-N 2 2 333.479 4.288 20 0 EIADLP CCCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000473998897 1042946378 /nfs/dbraw/zinc/94/63/78/1042946378.db2.gz HLGHMHYHQNXWNF-UHFFFAOYSA-N 2 2 335.451 4.259 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000493901005 1042980752 /nfs/dbraw/zinc/98/07/52/1042980752.db2.gz QJYMXHDVLDGUDI-OJAHFUOMSA-N 2 2 342.527 4.053 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000494100012 1043014024 /nfs/dbraw/zinc/01/40/24/1043014024.db2.gz UZLDGHOJSLSMDK-KBXCAEBGSA-N 2 2 349.569 4.330 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000494100012 1043014033 /nfs/dbraw/zinc/01/40/33/1043014033.db2.gz UZLDGHOJSLSMDK-KBXCAEBGSA-N 2 2 349.569 4.330 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc2cc1C ZINC000152749560 1043056638 /nfs/dbraw/zinc/05/66/38/1043056638.db2.gz OHVSUPQYYNEBAZ-INIZCTEOSA-N 2 2 337.467 4.476 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)cc1 ZINC000427838980 1043232694 /nfs/dbraw/zinc/23/26/94/1043232694.db2.gz CSIOYQKCFPDZLJ-WMZOPIPTSA-N 2 2 333.435 4.341 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000427876582 1043235719 /nfs/dbraw/zinc/23/57/19/1043235719.db2.gz VZHXGDARVVZOKT-UKRRQHHQSA-N 2 2 333.888 4.068 20 0 EIADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(C)cc2)cc1 ZINC000427879112 1043235735 /nfs/dbraw/zinc/23/57/35/1043235735.db2.gz BMIPZURPIJXLGW-FCHUYYIVSA-N 2 2 345.490 4.388 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OCc1ccccc1 ZINC000427868018 1043241533 /nfs/dbraw/zinc/24/15/33/1043241533.db2.gz PWFKAAOTKCHARY-IEBWSBKVSA-N 2 2 347.462 4.128 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427892376 1043254388 /nfs/dbraw/zinc/25/43/88/1043254388.db2.gz MXJFLIBIZXPIDH-MSOLQXFVSA-N 2 2 337.492 4.141 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186187964 1043254555 /nfs/dbraw/zinc/25/45/55/1043254555.db2.gz DSSNKPQTTZIBDU-BQFCYCMXSA-N 2 2 344.524 4.460 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186187964 1043254567 /nfs/dbraw/zinc/25/45/67/1043254567.db2.gz DSSNKPQTTZIBDU-BQFCYCMXSA-N 2 2 344.524 4.460 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC3(CCCCC3)Oc3ccccc31)CC2 ZINC000427893860 1043255901 /nfs/dbraw/zinc/25/59/01/1043255901.db2.gz JSNWEZOBTIWQMI-SJLPKXTDSA-N 2 2 337.467 4.014 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187368215 1043345521 /nfs/dbraw/zinc/34/55/21/1043345521.db2.gz BFQSOWOJOFKPCJ-UONOGXRCSA-N 2 2 335.854 4.228 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187368215 1043345539 /nfs/dbraw/zinc/34/55/39/1043345539.db2.gz BFQSOWOJOFKPCJ-UONOGXRCSA-N 2 2 335.854 4.228 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2Cl)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012532 1043426215 /nfs/dbraw/zinc/42/62/15/1043426215.db2.gz BSRVQDQBFQFCMR-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012532 1043426220 /nfs/dbraw/zinc/42/62/20/1043426220.db2.gz BSRVQDQBFQFCMR-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000189504253 1043586454 /nfs/dbraw/zinc/58/64/54/1043586454.db2.gz ZLDPRPQEWMXCLD-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@H+]1C ZINC000189504253 1043586472 /nfs/dbraw/zinc/58/64/72/1043586472.db2.gz ZLDPRPQEWMXCLD-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504253 1043586496 /nfs/dbraw/zinc/58/64/96/1043586496.db2.gz ZLDPRPQEWMXCLD-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504253 1043586506 /nfs/dbraw/zinc/58/65/06/1043586506.db2.gz ZLDPRPQEWMXCLD-YPMHNXCESA-N 2 2 345.712 4.017 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000172036850 1043702218 /nfs/dbraw/zinc/70/22/18/1043702218.db2.gz ZKZUIJSTFBKHDG-CQSZACIVSA-N 2 2 327.403 4.017 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1ccccc1 ZINC000474037128 1043813044 /nfs/dbraw/zinc/81/30/44/1043813044.db2.gz SPOHVQOQSLXWOW-DXBBTUNJSA-N 2 2 344.543 4.254 20 0 EIADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001168466977 1043822046 /nfs/dbraw/zinc/82/20/46/1043822046.db2.gz IMIUGQXAURFOPP-AVRDEDQJSA-N 2 2 340.486 4.053 20 0 EIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1F ZINC000192148535 1043883249 /nfs/dbraw/zinc/88/32/49/1043883249.db2.gz SMYYCIHTEZFVBQ-HNNXBMFYSA-N 2 2 339.414 4.179 20 0 EIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000153168297 1043973773 /nfs/dbraw/zinc/97/37/73/1043973773.db2.gz PKBBPALQFSHBJP-FQEVSTJZSA-N 2 2 347.462 4.438 20 0 EIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC(C)C)CC3)o2)cc1 ZINC000521819472 1044008483 /nfs/dbraw/zinc/00/84/83/1044008483.db2.gz KZIUDNDSQJNVIU-UHFFFAOYSA-N 2 2 326.484 4.465 20 0 EIADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059231 1044069417 /nfs/dbraw/zinc/06/94/17/1044069417.db2.gz FSNUAMKBRPVXOC-DENIHFKCSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059231 1044069432 /nfs/dbraw/zinc/06/94/32/1044069432.db2.gz FSNUAMKBRPVXOC-DENIHFKCSA-N 2 2 341.543 4.013 20 0 EIADLP CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658289225 1044256254 /nfs/dbraw/zinc/25/62/54/1044256254.db2.gz XOMBSCKRUXMIMB-BULFRSBZSA-N 2 2 349.478 4.281 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168019177 1044336320 /nfs/dbraw/zinc/33/63/20/1044336320.db2.gz HBHMNHVXODWJMH-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168019177 1044336341 /nfs/dbraw/zinc/33/63/41/1044336341.db2.gz HBHMNHVXODWJMH-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(N(C)C)CCCCC2)cc1 ZINC000347965295 1044343916 /nfs/dbraw/zinc/34/39/16/1044343916.db2.gz REWVWBDHCSRRCX-KRWDZBQOSA-N 2 2 340.515 4.096 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042506 1044372479 /nfs/dbraw/zinc/37/24/79/1044372479.db2.gz NICWSZJSNNXFME-NXHRZFHOSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042506 1044372493 /nfs/dbraw/zinc/37/24/93/1044372493.db2.gz NICWSZJSNNXFME-NXHRZFHOSA-N 2 2 329.513 4.094 20 0 EIADLP FC(F)(F)c1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000177717869 1044443371 /nfs/dbraw/zinc/44/33/71/1044443371.db2.gz OWUXYXDSYHFGNA-UHFFFAOYSA-N 2 2 337.389 4.172 20 0 EIADLP C[N@H+](Cc1cc(Cl)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963009 1044546896 /nfs/dbraw/zinc/54/68/96/1044546896.db2.gz GXELSFLLHGCESX-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP C[N@@H+](Cc1cc(Cl)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963009 1044546913 /nfs/dbraw/zinc/54/69/13/1044546913.db2.gz GXELSFLLHGCESX-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918843 1044560126 /nfs/dbraw/zinc/56/01/26/1044560126.db2.gz GYQNUHZZDMJKCF-XLIONFOSSA-N 2 2 349.478 4.372 20 0 EIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918844 1044560746 /nfs/dbraw/zinc/56/07/46/1044560746.db2.gz GYQNUHZZDMJKCF-YLJYHZDGSA-N 2 2 349.478 4.372 20 0 EIADLP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998284 1044586611 /nfs/dbraw/zinc/58/66/11/1044586611.db2.gz RJIFXYLDQBDHDQ-SONYQCCOSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998284 1044586626 /nfs/dbraw/zinc/58/66/26/1044586626.db2.gz RJIFXYLDQBDHDQ-SONYQCCOSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000494998284 1044586641 /nfs/dbraw/zinc/58/66/41/1044586641.db2.gz RJIFXYLDQBDHDQ-SONYQCCOSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C/c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000494998284 1044586656 /nfs/dbraw/zinc/58/66/56/1044586656.db2.gz RJIFXYLDQBDHDQ-SONYQCCOSA-N 2 2 347.506 4.081 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000673601832 1044861247 /nfs/dbraw/zinc/86/12/47/1044861247.db2.gz SNDLOVNGAAUIQS-MXHVWWQHSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673601832 1044861248 /nfs/dbraw/zinc/86/12/48/1044861248.db2.gz SNDLOVNGAAUIQS-MXHVWWQHSA-N 2 2 338.417 4.183 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1)CCC2 ZINC000544567690 1044924947 /nfs/dbraw/zinc/92/49/47/1044924947.db2.gz GWMJRCYLQAJSGP-IEBWSBKVSA-N 2 2 327.472 4.491 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474467047 1045019378 /nfs/dbraw/zinc/01/93/78/1045019378.db2.gz AJMUHGVBZAYQFX-VHDGCEQUSA-N 2 2 349.931 4.259 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922884158 1045036772 /nfs/dbraw/zinc/03/67/72/1045036772.db2.gz OKMRLESYRQUALN-RTWAWAEBSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCCc4cccnc43)CC23CC3)cc1 ZINC000922884158 1045036785 /nfs/dbraw/zinc/03/67/85/1045036785.db2.gz OKMRLESYRQUALN-RTWAWAEBSA-N 2 2 347.506 4.246 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671739229 1045154731 /nfs/dbraw/zinc/15/47/31/1045154731.db2.gz SBEXWEMCTUGGEP-KGLIPLIRSA-N 2 2 348.406 4.131 20 0 EIADLP CCCCc1noc([C@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062259 1045165207 /nfs/dbraw/zinc/16/52/07/1045165207.db2.gz MXYXMYUQCJVJQE-INIZCTEOSA-N 2 2 344.503 4.057 20 0 EIADLP CCCCc1noc([C@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062259 1045165211 /nfs/dbraw/zinc/16/52/11/1045165211.db2.gz MXYXMYUQCJVJQE-INIZCTEOSA-N 2 2 344.503 4.057 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)CC2CCC2)s1 ZINC000347806485 1045258255 /nfs/dbraw/zinc/25/82/55/1045258255.db2.gz HVHWOUTXJWNDHS-UHFFFAOYSA-N 2 2 329.513 4.007 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)CC2CCC2)s1 ZINC000347806485 1045258263 /nfs/dbraw/zinc/25/82/63/1045258263.db2.gz HVHWOUTXJWNDHS-UHFFFAOYSA-N 2 2 329.513 4.007 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000236817611 1045367865 /nfs/dbraw/zinc/36/78/65/1045367865.db2.gz UYZHYRVUHSHJFQ-FXBPSFAMSA-N 2 2 344.543 4.351 20 0 EIADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237489046 1045387237 /nfs/dbraw/zinc/38/72/37/1045387237.db2.gz RQIFXLXVCGONAH-GCJKJVERSA-N 2 2 338.495 4.140 20 0 EIADLP FC(F)SCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250231 1045738300 /nfs/dbraw/zinc/73/83/00/1045738300.db2.gz LSONOIZNUHRGBI-UHFFFAOYSA-N 2 2 349.406 4.211 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000247038177 1045838645 /nfs/dbraw/zinc/83/86/45/1045838645.db2.gz UZEODCRMBCACGD-YFXJRYMSSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000247038177 1045838646 /nfs/dbraw/zinc/83/86/46/1045838646.db2.gz UZEODCRMBCACGD-YFXJRYMSSA-N 2 2 349.522 4.268 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OC ZINC000792277962 1045888540 /nfs/dbraw/zinc/88/85/40/1045888540.db2.gz XPQUUJJBYMPSSG-HXUWFJFHSA-N 2 2 335.451 4.430 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516935 1046006521 /nfs/dbraw/zinc/00/65/21/1046006521.db2.gz VOSDXGDAOFMXBD-AWEZNQCLSA-N 2 2 332.435 4.072 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516935 1046006554 /nfs/dbraw/zinc/00/65/54/1046006554.db2.gz VOSDXGDAOFMXBD-AWEZNQCLSA-N 2 2 332.435 4.072 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516935 1046006538 /nfs/dbraw/zinc/00/65/38/1046006538.db2.gz VOSDXGDAOFMXBD-AWEZNQCLSA-N 2 2 332.435 4.072 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516935 1046006570 /nfs/dbraw/zinc/00/65/70/1046006570.db2.gz VOSDXGDAOFMXBD-AWEZNQCLSA-N 2 2 332.435 4.072 20 0 EIADLP C[C@@H](C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000237446785 1046048695 /nfs/dbraw/zinc/04/86/95/1046048695.db2.gz LTINYQNOYUKISV-SFHVURJKSA-N 2 2 337.511 4.433 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769871455 1046099220 /nfs/dbraw/zinc/09/92/20/1046099220.db2.gz GVAZCNZNVJPXPN-HOCLYGCPSA-N 2 2 347.528 4.170 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000769871455 1046099237 /nfs/dbraw/zinc/09/92/37/1046099237.db2.gz GVAZCNZNVJPXPN-HOCLYGCPSA-N 2 2 347.528 4.170 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1Br ZINC000037786189 1046158486 /nfs/dbraw/zinc/15/84/86/1046158486.db2.gz AXAFTRFNBQDGGX-ZDUSSCGKSA-N 2 2 339.321 4.363 20 0 EIADLP CCC[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680326 1046226744 /nfs/dbraw/zinc/22/67/44/1046226744.db2.gz UZXDRDUSTFLBHO-UYAOXDASSA-N 2 2 325.500 4.259 20 0 EIADLP CCC[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680326 1046226759 /nfs/dbraw/zinc/22/67/59/1046226759.db2.gz UZXDRDUSTFLBHO-UYAOXDASSA-N 2 2 325.500 4.259 20 0 EIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124343261 1046235220 /nfs/dbraw/zinc/23/52/20/1046235220.db2.gz FAVWZQIYMFUIME-GOSISDBHSA-N 2 2 337.511 4.396 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000509695853 1046573512 /nfs/dbraw/zinc/57/35/12/1046573512.db2.gz HSONGCUTIRSDTG-OAHLLOKOSA-N 2 2 326.406 4.013 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000509695853 1046573525 /nfs/dbraw/zinc/57/35/25/1046573525.db2.gz HSONGCUTIRSDTG-OAHLLOKOSA-N 2 2 326.406 4.013 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC001170060985 1046854092 /nfs/dbraw/zinc/85/40/92/1046854092.db2.gz FQBOEBDUQXPALP-SFHVURJKSA-N 2 2 332.532 4.464 20 0 EIADLP COCC[NH+]1CCC([NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497550314 1046858756 /nfs/dbraw/zinc/85/87/56/1046858756.db2.gz NLHMWCPHRHLYSL-HXUWFJFHSA-N 2 2 344.499 4.220 20 0 EIADLP Cc1[nH]c(CS[C@@H](C)[C@H](C)SCc2[nH]c(C)[nH+]c2C)c(C)[nH+]1 ZINC000917537135 1046948142 /nfs/dbraw/zinc/94/81/42/1046948142.db2.gz YKORBXWDUDDMBA-RYUDHWBXSA-N 2 2 338.546 4.310 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170079099 1047063289 /nfs/dbraw/zinc/06/32/89/1047063289.db2.gz XOHRHSPDQWYVGX-KRWDZBQOSA-N 2 2 334.552 4.099 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170079099 1047063277 /nfs/dbraw/zinc/06/32/77/1047063277.db2.gz XOHRHSPDQWYVGX-KRWDZBQOSA-N 2 2 334.552 4.099 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C(C)(C)C)CC2)cc1 ZINC000806142779 1047169073 /nfs/dbraw/zinc/16/90/73/1047169073.db2.gz QQUBCJMNUUEAEG-VQTJNVASSA-N 2 2 329.532 4.136 20 0 EIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)ccc1OC ZINC000806181597 1047191359 /nfs/dbraw/zinc/19/13/59/1047191359.db2.gz YPLPRCNFQUULMH-KBXCAEBGSA-N 2 2 340.458 4.375 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000537455168 1047243851 /nfs/dbraw/zinc/24/38/51/1047243851.db2.gz CYBYAHCMJJPDKA-MJGOQNOKSA-N 2 2 338.499 4.012 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000788623503 1047253301 /nfs/dbraw/zinc/25/33/01/1047253301.db2.gz WUCZQWWMLGXEPR-MTNREXPMSA-N 2 2 349.478 4.281 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cncs1 ZINC000897931037 1047501831 /nfs/dbraw/zinc/50/18/31/1047501831.db2.gz VABOCWNQNJKYNJ-QILLFSRXSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cncs1 ZINC000897931037 1047501844 /nfs/dbraw/zinc/50/18/44/1047501844.db2.gz VABOCWNQNJKYNJ-QILLFSRXSA-N 2 2 327.497 4.162 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681077 1047814203 /nfs/dbraw/zinc/81/42/03/1047814203.db2.gz UCEXDJJRBNXPSP-LEWJYISDSA-N 2 2 338.495 4.319 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681077 1047814206 /nfs/dbraw/zinc/81/42/06/1047814206.db2.gz UCEXDJJRBNXPSP-LEWJYISDSA-N 2 2 338.495 4.319 20 0 EIADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000556869608 1048087903 /nfs/dbraw/zinc/08/79/03/1048087903.db2.gz ACQPMSSSEPCPPD-HNNXBMFYSA-N 2 2 333.426 4.163 20 0 EIADLP Brc1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499053085 1048126218 /nfs/dbraw/zinc/12/62/18/1048126218.db2.gz HSIUWJBGXBQHLG-UHFFFAOYSA-N 2 2 348.288 4.090 20 0 EIADLP Brc1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000499053085 1048126223 /nfs/dbraw/zinc/12/62/23/1048126223.db2.gz HSIUWJBGXBQHLG-UHFFFAOYSA-N 2 2 348.288 4.090 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925917 1048244265 /nfs/dbraw/zinc/24/42/65/1048244265.db2.gz MNFCJJGYOAYIRM-QGZVFWFLSA-N 2 2 347.572 4.355 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925917 1048244280 /nfs/dbraw/zinc/24/42/80/1048244280.db2.gz MNFCJJGYOAYIRM-QGZVFWFLSA-N 2 2 347.572 4.355 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925917 1048244298 /nfs/dbraw/zinc/24/42/98/1048244298.db2.gz MNFCJJGYOAYIRM-QGZVFWFLSA-N 2 2 347.572 4.355 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000556925917 1048244325 /nfs/dbraw/zinc/24/43/25/1048244325.db2.gz MNFCJJGYOAYIRM-QGZVFWFLSA-N 2 2 347.572 4.355 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCC3(C)C)CC2)cc1 ZINC000815161989 1048353603 /nfs/dbraw/zinc/35/36/03/1048353603.db2.gz FOYYGJBAHQCSGC-KRWDZBQOSA-N 2 2 329.532 4.137 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559698 1048402533 /nfs/dbraw/zinc/40/25/33/1048402533.db2.gz YLNVTAGXGWEFAV-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559698 1048402545 /nfs/dbraw/zinc/40/25/45/1048402545.db2.gz YLNVTAGXGWEFAV-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559698 1048402553 /nfs/dbraw/zinc/40/25/53/1048402553.db2.gz YLNVTAGXGWEFAV-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccc(Cl)n3)C2)s1 ZINC000809559698 1048402561 /nfs/dbraw/zinc/40/25/61/1048402561.db2.gz YLNVTAGXGWEFAV-HNNXBMFYSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1cc(Br)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001144226696 1048523605 /nfs/dbraw/zinc/52/36/05/1048523605.db2.gz UZVNXBUOMFNDJN-UHFFFAOYSA-N 2 2 339.321 4.062 20 0 EIADLP Cc1cc(Br)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001144226696 1048523619 /nfs/dbraw/zinc/52/36/19/1048523619.db2.gz UZVNXBUOMFNDJN-UHFFFAOYSA-N 2 2 339.321 4.062 20 0 EIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160513 1048594474 /nfs/dbraw/zinc/59/44/74/1048594474.db2.gz BUBBKHXZQIIIBM-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160513 1048594483 /nfs/dbraw/zinc/59/44/83/1048594483.db2.gz BUBBKHXZQIIIBM-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CCCCCCOc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171005 1048653027 /nfs/dbraw/zinc/65/30/27/1048653027.db2.gz DIEIZQDYRNMUTH-KRWDZBQOSA-N 2 2 327.472 4.016 20 0 EIADLP CCCCCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000810171889 1048654172 /nfs/dbraw/zinc/65/41/72/1048654172.db2.gz XWGAFZYQSYXBQE-QGZVFWFLSA-N 2 2 327.472 4.016 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000772955186 1048902262 /nfs/dbraw/zinc/90/22/62/1048902262.db2.gz FTZQWWVIGVDMIJ-CQSZACIVSA-N 2 2 346.487 4.193 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000772955186 1048902268 /nfs/dbraw/zinc/90/22/68/1048902268.db2.gz FTZQWWVIGVDMIJ-CQSZACIVSA-N 2 2 346.487 4.193 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccncc1Cl ZINC000817573684 1049006126 /nfs/dbraw/zinc/00/61/26/1049006126.db2.gz HGKDGIYDLRDDCZ-HNNXBMFYSA-N 2 2 335.923 4.430 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326958 1049024994 /nfs/dbraw/zinc/02/49/94/1049024994.db2.gz YJFHGYWLQQMUOF-NHYWBVRUSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326958 1049025010 /nfs/dbraw/zinc/02/50/10/1049025010.db2.gz YJFHGYWLQQMUOF-NHYWBVRUSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326958 1049025024 /nfs/dbraw/zinc/02/50/24/1049025024.db2.gz YJFHGYWLQQMUOF-NHYWBVRUSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326958 1049025037 /nfs/dbraw/zinc/02/50/37/1049025037.db2.gz YJFHGYWLQQMUOF-NHYWBVRUSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326959 1049026209 /nfs/dbraw/zinc/02/62/09/1049026209.db2.gz YJFHGYWLQQMUOF-XHDPSFHLSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326959 1049026219 /nfs/dbraw/zinc/02/62/19/1049026219.db2.gz YJFHGYWLQQMUOF-XHDPSFHLSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326959 1049026230 /nfs/dbraw/zinc/02/62/30/1049026230.db2.gz YJFHGYWLQQMUOF-XHDPSFHLSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326959 1049026245 /nfs/dbraw/zinc/02/62/45/1049026245.db2.gz YJFHGYWLQQMUOF-XHDPSFHLSA-N 2 2 334.813 4.131 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cscc1C(F)(F)F ZINC000811475366 1049095495 /nfs/dbraw/zinc/09/54/95/1049095495.db2.gz KGFSWCANCQXBFK-ZDUSSCGKSA-N 2 2 331.407 4.168 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170679024 1049509685 /nfs/dbraw/zinc/50/96/85/1049509685.db2.gz AEECMOHNMLIXCG-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccoc1 ZINC000820804868 1049551855 /nfs/dbraw/zinc/55/18/55/1049551855.db2.gz BEKXSQJKCQEJKX-SFHVURJKSA-N 2 2 329.831 4.093 20 0 EIADLP C=Cc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000812734051 1049554169 /nfs/dbraw/zinc/55/41/69/1049554169.db2.gz GSDPQJLMVLRCND-UHFFFAOYSA-N 2 2 349.522 4.197 20 0 EIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000773091365 1049573959 /nfs/dbraw/zinc/57/39/59/1049573959.db2.gz WNUUDVOHCYEGEB-HTAPYJJXSA-N 2 2 335.495 4.193 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237768977 1049754049 /nfs/dbraw/zinc/75/40/49/1049754049.db2.gz WNOIAWUVADNIDH-CABCVRRESA-N 2 2 330.419 4.015 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237768977 1049754056 /nfs/dbraw/zinc/75/40/56/1049754056.db2.gz WNOIAWUVADNIDH-CABCVRRESA-N 2 2 330.419 4.015 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1(C)C ZINC001171630061 1049762403 /nfs/dbraw/zinc/76/24/03/1049762403.db2.gz GZGGGWNGNCOIJY-MRXNPFEDSA-N 2 2 335.923 4.427 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@H]2COc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171974111 1049835704 /nfs/dbraw/zinc/83/57/04/1049835704.db2.gz AJXZDAAYTDASRF-ICSRJNTNSA-N 2 2 336.479 4.153 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@H]2COc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974111 1049835705 /nfs/dbraw/zinc/83/57/05/1049835705.db2.gz AJXZDAAYTDASRF-ICSRJNTNSA-N 2 2 336.479 4.153 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171972925 1049836298 /nfs/dbraw/zinc/83/62/98/1049836298.db2.gz UNLMMPOIGMGBQY-KRWDZBQOSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC001171972925 1049836299 /nfs/dbraw/zinc/83/62/99/1049836299.db2.gz UNLMMPOIGMGBQY-KRWDZBQOSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccncc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171975593 1049837178 /nfs/dbraw/zinc/83/71/78/1049837178.db2.gz MKUVERSEJWYHBE-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171975593 1049837180 /nfs/dbraw/zinc/83/71/80/1049837180.db2.gz MKUVERSEJWYHBE-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171976666 1049837825 /nfs/dbraw/zinc/83/78/25/1049837825.db2.gz MGLWFHLBPTWYQJ-KRWDZBQOSA-N 2 2 334.454 4.161 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)CC[N@H+]1Cc1ccccc1 ZINC001171976666 1049837827 /nfs/dbraw/zinc/83/78/27/1049837827.db2.gz MGLWFHLBPTWYQJ-KRWDZBQOSA-N 2 2 334.454 4.161 20 0 EIADLP C[N@H+](Cc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079495 1049845923 /nfs/dbraw/zinc/84/59/23/1049845923.db2.gz OQOIINRSIAPHLC-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079495 1049845924 /nfs/dbraw/zinc/84/59/24/1049845924.db2.gz OQOIINRSIAPHLC-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079495 1049845926 /nfs/dbraw/zinc/84/59/26/1049845926.db2.gz OQOIINRSIAPHLC-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079495 1049845930 /nfs/dbraw/zinc/84/59/30/1049845930.db2.gz OQOIINRSIAPHLC-KOUNCHBCSA-N 2 2 335.495 4.099 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4cccnc4C2)C3)cc1 ZINC001172081924 1049847667 /nfs/dbraw/zinc/84/76/67/1049847667.db2.gz IGKDWSOKAXALES-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4cccnc4C2)C3)cc1 ZINC001172081924 1049847668 /nfs/dbraw/zinc/84/76/68/1049847668.db2.gz IGKDWSOKAXALES-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCc4cccnc4C2)C3)cc1 ZINC001172081924 1049847669 /nfs/dbraw/zinc/84/76/69/1049847669.db2.gz IGKDWSOKAXALES-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCc4cccnc4C2)C3)cc1 ZINC001172081924 1049847675 /nfs/dbraw/zinc/84/76/75/1049847675.db2.gz IGKDWSOKAXALES-ZBYYUNFXSA-N 2 2 347.506 4.025 20 0 EIADLP C[C@]1(F)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1F ZINC001172069952 1049852343 /nfs/dbraw/zinc/85/23/43/1049852343.db2.gz WEWPZKPHEHJIPN-XNTOXWQXSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1F ZINC001172069952 1049852345 /nfs/dbraw/zinc/85/23/45/1049852345.db2.gz WEWPZKPHEHJIPN-XNTOXWQXSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1F ZINC001172069952 1049852350 /nfs/dbraw/zinc/85/23/50/1049852350.db2.gz WEWPZKPHEHJIPN-XNTOXWQXSA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1F ZINC001172069952 1049852351 /nfs/dbraw/zinc/85/23/51/1049852351.db2.gz WEWPZKPHEHJIPN-XNTOXWQXSA-N 2 2 348.481 4.344 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CSc2ccccc2C1 ZINC001172210563 1049865535 /nfs/dbraw/zinc/86/55/35/1049865535.db2.gz YGRYNBNHOWDOLA-IBGZPJMESA-N 2 2 335.476 4.021 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CSc2ccccc2C1 ZINC001172210563 1049865540 /nfs/dbraw/zinc/86/55/40/1049865540.db2.gz YGRYNBNHOWDOLA-IBGZPJMESA-N 2 2 335.476 4.021 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245993334 1049888512 /nfs/dbraw/zinc/88/85/12/1049888512.db2.gz QYXXENGGHXJIQN-DENIHFKCSA-N 2 2 337.511 4.129 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245993334 1049888513 /nfs/dbraw/zinc/88/85/13/1049888513.db2.gz QYXXENGGHXJIQN-DENIHFKCSA-N 2 2 337.511 4.129 20 0 EIADLP Fc1c[nH+]ccc1N([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001172565825 1049935866 /nfs/dbraw/zinc/93/58/66/1049935866.db2.gz OTGOFKQZRUNVDE-IEBWSBKVSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172577100 1049950843 /nfs/dbraw/zinc/95/08/43/1049950843.db2.gz QZEACEFKNJXBIL-OLZOCXBDSA-N 2 2 330.850 4.013 20 0 EIADLP CC1(C)CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC(C)(C)O1 ZINC001172649985 1049956454 /nfs/dbraw/zinc/95/64/54/1049956454.db2.gz ZGQXMIGMISICEE-LJQANCHMSA-N 2 2 330.516 4.149 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172881416 1050221808 /nfs/dbraw/zinc/22/18/08/1050221808.db2.gz GMNMHRWTGGHWSX-KBPBESRZSA-N 2 2 335.904 4.357 20 0 EIADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001177442852 1050222068 /nfs/dbraw/zinc/22/20/68/1050222068.db2.gz WSWSVLHVMLOBRA-NNWRFLSQSA-N 2 2 344.543 4.254 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001212689989 1050228346 /nfs/dbraw/zinc/22/83/46/1050228346.db2.gz PSSYTVQWLZJOBV-UHFFFAOYSA-N 2 2 332.451 4.425 20 0 EIADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000091261967 1050245741 /nfs/dbraw/zinc/24/57/41/1050245741.db2.gz JSPVOMDQEIRSOI-INIZCTEOSA-N 2 2 325.378 4.279 20 0 EIADLP CC(C)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000091283303 1050247456 /nfs/dbraw/zinc/24/74/56/1050247456.db2.gz BBTORKUQPRACTQ-JOCHJYFZSA-N 2 2 333.479 4.461 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091317652 1050254093 /nfs/dbraw/zinc/25/40/93/1050254093.db2.gz SYABDVFVNZNNJU-NRFANRHFSA-N 2 2 348.506 4.148 20 0 EIADLP CCc1cccc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)oc21 ZINC001177566393 1050255701 /nfs/dbraw/zinc/25/57/01/1050255701.db2.gz WALBVVHSAPOBIU-UHFFFAOYSA-N 2 2 331.419 4.471 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC3(CCOCC3)CC2)CC1 ZINC001173048545 1050274286 /nfs/dbraw/zinc/27/42/86/1050274286.db2.gz BATNBIPIRKGFIR-UHFFFAOYSA-N 2 2 334.548 4.065 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC3(CCOCC3)CC2)CC1 ZINC001173048545 1050274292 /nfs/dbraw/zinc/27/42/92/1050274292.db2.gz BATNBIPIRKGFIR-UHFFFAOYSA-N 2 2 334.548 4.065 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001177703139 1050283304 /nfs/dbraw/zinc/28/33/04/1050283304.db2.gz YHPNZXIDXBNYCT-IEBWSBKVSA-N 2 2 349.950 4.020 20 0 EIADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173121134 1050317839 /nfs/dbraw/zinc/31/78/39/1050317839.db2.gz MUDTVZXYXAJEIZ-DUXKGJEZSA-N 2 2 349.503 4.031 20 0 EIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173208992 1050367581 /nfs/dbraw/zinc/36/75/81/1050367581.db2.gz VOCYUSXTTCWHGA-IBGZPJMESA-N 2 2 333.479 4.474 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001173263852 1050386046 /nfs/dbraw/zinc/38/60/46/1050386046.db2.gz XAUAEHVGKWWTOD-PCCBWWKXSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001173261090 1050387416 /nfs/dbraw/zinc/38/74/16/1050387416.db2.gz OKLIQQHSKPGULU-IRFCIJBXSA-N 2 2 329.532 4.050 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001173545799 1050476849 /nfs/dbraw/zinc/47/68/49/1050476849.db2.gz DRBIVKBCKJSVNN-CYBMUJFWSA-N 2 2 329.315 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001173545799 1050476860 /nfs/dbraw/zinc/47/68/60/1050476860.db2.gz DRBIVKBCKJSVNN-CYBMUJFWSA-N 2 2 329.315 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001173551666 1050489141 /nfs/dbraw/zinc/48/91/41/1050489141.db2.gz UQGOASXYAXMGKB-SIIHOXLZSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001173551666 1050489149 /nfs/dbraw/zinc/48/91/49/1050489149.db2.gz UQGOASXYAXMGKB-SIIHOXLZSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001173551666 1050489157 /nfs/dbraw/zinc/48/91/57/1050489157.db2.gz UQGOASXYAXMGKB-SIIHOXLZSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001173551666 1050489162 /nfs/dbraw/zinc/48/91/62/1050489162.db2.gz UQGOASXYAXMGKB-SIIHOXLZSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCn1cc[nH+]c1 ZINC001173552267 1050491218 /nfs/dbraw/zinc/49/12/18/1050491218.db2.gz WUIRTOAKDGUCSW-ZDUSSCGKSA-N 2 2 326.271 4.191 20 0 EIADLP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001203357877 1050585075 /nfs/dbraw/zinc/58/50/75/1050585075.db2.gz YXWWWYXUFRGBNF-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001203357877 1050585089 /nfs/dbraw/zinc/58/50/89/1050585089.db2.gz YXWWWYXUFRGBNF-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001203357877 1050585102 /nfs/dbraw/zinc/58/51/02/1050585102.db2.gz YXWWWYXUFRGBNF-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203357877 1050585120 /nfs/dbraw/zinc/58/51/20/1050585120.db2.gz YXWWWYXUFRGBNF-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)cc1 ZINC001178949644 1050593591 /nfs/dbraw/zinc/59/35/91/1050593591.db2.gz ICELTQKPKCMYTJ-GCJKJVERSA-N 2 2 341.543 4.137 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001179044659 1050614773 /nfs/dbraw/zinc/61/47/73/1050614773.db2.gz MEZMLRKTWSKRAD-HZPDHXFCSA-N 2 2 344.446 4.405 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001179044659 1050614779 /nfs/dbraw/zinc/61/47/79/1050614779.db2.gz MEZMLRKTWSKRAD-HZPDHXFCSA-N 2 2 344.446 4.405 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001179044658 1050616019 /nfs/dbraw/zinc/61/60/19/1050616019.db2.gz MEZMLRKTWSKRAD-HOTGVXAUSA-N 2 2 344.446 4.405 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001179044658 1050616022 /nfs/dbraw/zinc/61/60/22/1050616022.db2.gz MEZMLRKTWSKRAD-HOTGVXAUSA-N 2 2 344.446 4.405 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639310 1050648018 /nfs/dbraw/zinc/64/80/18/1050648018.db2.gz XOICAUXEWHXHJJ-UKRRQHHQSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639310 1050648023 /nfs/dbraw/zinc/64/80/23/1050648023.db2.gz XOICAUXEWHXHJJ-UKRRQHHQSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639310 1050648039 /nfs/dbraw/zinc/64/80/39/1050648039.db2.gz XOICAUXEWHXHJJ-UKRRQHHQSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)[C@H](C)C1 ZINC000093639310 1050648045 /nfs/dbraw/zinc/64/80/45/1050648045.db2.gz XOICAUXEWHXHJJ-UKRRQHHQSA-N 2 2 335.542 4.034 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001179339172 1050680202 /nfs/dbraw/zinc/68/02/02/1050680202.db2.gz XPNXEMVAVPJFNS-SJLPKXTDSA-N 2 2 343.540 4.124 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001179339172 1050680207 /nfs/dbraw/zinc/68/02/07/1050680207.db2.gz XPNXEMVAVPJFNS-SJLPKXTDSA-N 2 2 343.540 4.124 20 0 EIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001179830792 1050789482 /nfs/dbraw/zinc/78/94/82/1050789482.db2.gz WJBLCABAFLJCIA-INIZCTEOSA-N 2 2 329.463 4.098 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000152754499 1050842764 /nfs/dbraw/zinc/84/27/64/1050842764.db2.gz MFIAXIWZGBYNQN-GFCCVEGCSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000152820695 1050861226 /nfs/dbraw/zinc/86/12/26/1050861226.db2.gz VJUUUAIXGQLHDT-LBPRGKRZSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1Cl ZINC000152826030 1050863716 /nfs/dbraw/zinc/86/37/16/1050863716.db2.gz GEEFUPPXKIGGRU-LBPRGKRZSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccccc2)o1 ZINC000152823307 1050864345 /nfs/dbraw/zinc/86/43/45/1050864345.db2.gz LBZLXSOGHZDOOM-MRXNPFEDSA-N 2 2 335.451 4.373 20 0 EIADLP COc1cc2ccccc2cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001180099201 1050886919 /nfs/dbraw/zinc/88/69/19/1050886919.db2.gz WRFHEBVRDRMRPB-FQEVSTJZSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001180099201 1050886926 /nfs/dbraw/zinc/88/69/26/1050886926.db2.gz WRFHEBVRDRMRPB-FQEVSTJZSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001180099201 1050886932 /nfs/dbraw/zinc/88/69/32/1050886932.db2.gz WRFHEBVRDRMRPB-FQEVSTJZSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001180099201 1050886936 /nfs/dbraw/zinc/88/69/36/1050886936.db2.gz WRFHEBVRDRMRPB-FQEVSTJZSA-N 2 2 326.484 4.155 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000619761484 1050888460 /nfs/dbraw/zinc/88/84/60/1050888460.db2.gz PCHJEXPLIHYUMY-ZDUSSCGKSA-N 2 2 349.356 4.340 20 0 EIADLP c1cn(Cc2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2)c[nH+]1 ZINC001174397290 1050914936 /nfs/dbraw/zinc/91/49/36/1050914936.db2.gz RYZIWQWSJJIAJG-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP c1cn(Cc2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2)c[nH+]1 ZINC001174397290 1050914948 /nfs/dbraw/zinc/91/49/48/1050914948.db2.gz RYZIWQWSJJIAJG-UHFFFAOYSA-N 2 2 344.462 4.133 20 0 EIADLP Cc1cccc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000152974864 1050916495 /nfs/dbraw/zinc/91/64/95/1050916495.db2.gz OKTCNRMDNXPSSI-UHFFFAOYSA-N 2 2 346.478 4.257 20 0 EIADLP c1ccc([C@@H]2C[C@H]2C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001181195910 1051177209 /nfs/dbraw/zinc/17/72/09/1051177209.db2.gz GBSBSVJTFPKOOT-SFTDATJTSA-N 2 2 326.528 4.426 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2c(s1)CCC2 ZINC000153658486 1051209383 /nfs/dbraw/zinc/20/93/83/1051209383.db2.gz YBQDJNBSCNOTQG-ZDUSSCGKSA-N 2 2 341.455 4.412 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)c(C)c2)CC1 ZINC001181382250 1051215540 /nfs/dbraw/zinc/21/55/40/1051215540.db2.gz FIXIXFARYDSIPT-UHFFFAOYSA-N 2 2 330.859 4.395 20 0 EIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436381 1051237165 /nfs/dbraw/zinc/23/71/65/1051237165.db2.gz QQDBZWKOGKLDIJ-RHSMWYFYSA-N 2 2 342.449 4.346 20 0 EIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436381 1051237185 /nfs/dbraw/zinc/23/71/85/1051237185.db2.gz QQDBZWKOGKLDIJ-RHSMWYFYSA-N 2 2 342.449 4.346 20 0 EIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2ccc(F)c(F)c2n1 ZINC001181506259 1051241838 /nfs/dbraw/zinc/24/18/38/1051241838.db2.gz ODCMMBAHTJDWNT-UHFFFAOYSA-N 2 2 335.442 4.067 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2ccc(F)c(F)c2n1 ZINC001181506259 1051241846 /nfs/dbraw/zinc/24/18/46/1051241846.db2.gz ODCMMBAHTJDWNT-UHFFFAOYSA-N 2 2 335.442 4.067 20 0 EIADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000153978786 1051253189 /nfs/dbraw/zinc/25/31/89/1051253189.db2.gz XKACINIMIQSSAP-OAHLLOKOSA-N 2 2 329.875 4.097 20 0 EIADLP CCCC[N@H+](Cc1nc2c(o1)CCCC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983305 1051305122 /nfs/dbraw/zinc/30/51/22/1051305122.db2.gz GLJUWKQCBSCVNJ-UHFFFAOYSA-N 2 2 347.547 4.465 20 0 EIADLP CCCC[N@@H+](Cc1nc2c(o1)CCCC2)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983305 1051305125 /nfs/dbraw/zinc/30/51/25/1051305125.db2.gz GLJUWKQCBSCVNJ-UHFFFAOYSA-N 2 2 347.547 4.465 20 0 EIADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC001191358086 1051429911 /nfs/dbraw/zinc/42/99/11/1051429911.db2.gz CNZWQRXPEXWXAE-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC001191358086 1051429913 /nfs/dbraw/zinc/42/99/13/1051429913.db2.gz CNZWQRXPEXWXAE-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001191358086 1051429916 /nfs/dbraw/zinc/42/99/16/1051429916.db2.gz CNZWQRXPEXWXAE-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001191358086 1051429918 /nfs/dbraw/zinc/42/99/18/1051429918.db2.gz CNZWQRXPEXWXAE-JOCHJYFZSA-N 2 2 338.470 4.314 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182843725 1051713991 /nfs/dbraw/zinc/71/39/91/1051713991.db2.gz GHTQTJQVNSLYHN-CJNGLKHVSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182843725 1051714008 /nfs/dbraw/zinc/71/40/08/1051714008.db2.gz GHTQTJQVNSLYHN-CJNGLKHVSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183227244 1051807328 /nfs/dbraw/zinc/80/73/28/1051807328.db2.gz PTNLIUJZAMRSIA-DZGCQCFKSA-N 2 2 326.937 4.329 20 0 EIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183227244 1051807331 /nfs/dbraw/zinc/80/73/31/1051807331.db2.gz PTNLIUJZAMRSIA-DZGCQCFKSA-N 2 2 326.937 4.329 20 0 EIADLP Cc1oc2ccccc2c1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183500066 1051855151 /nfs/dbraw/zinc/85/51/51/1051855151.db2.gz OPSVWRLCRXDVII-HXUWFJFHSA-N 2 2 331.419 4.469 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000164476883 1052031518 /nfs/dbraw/zinc/03/15/18/1052031518.db2.gz WNRNRHCHQOVEAL-KRWDZBQOSA-N 3 2 340.515 4.096 20 0 EIADLP CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCCC1 ZINC000165959317 1052082332 /nfs/dbraw/zinc/08/23/32/1052082332.db2.gz LGSRSOMKSOZRIB-QUCCMNQESA-N 2 2 330.516 4.008 20 0 EIADLP Cc1ccc(SCC[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1C ZINC001176976710 1052212965 /nfs/dbraw/zinc/21/29/65/1052212965.db2.gz FSTBVYRTSLYADJ-UHFFFAOYSA-N 2 2 329.513 4.009 20 0 EIADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000337808673 1052540762 /nfs/dbraw/zinc/54/07/62/1052540762.db2.gz LJNVNHATXNHDIV-LJQANCHMSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000337808673 1052540770 /nfs/dbraw/zinc/54/07/70/1052540770.db2.gz LJNVNHATXNHDIV-LJQANCHMSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)sc1C ZINC000338329436 1052547654 /nfs/dbraw/zinc/54/76/54/1052547654.db2.gz PILVYZDCEROPCF-GOSISDBHSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)sc1C ZINC000338329436 1052547657 /nfs/dbraw/zinc/54/76/57/1052547657.db2.gz PILVYZDCEROPCF-GOSISDBHSA-N 2 2 343.540 4.150 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671307702 1052612399 /nfs/dbraw/zinc/61/23/99/1052612399.db2.gz DODGPIJDEGFKJA-MRXNPFEDSA-N 2 2 349.931 4.380 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671307702 1052612401 /nfs/dbraw/zinc/61/24/01/1052612401.db2.gz DODGPIJDEGFKJA-MRXNPFEDSA-N 2 2 349.931 4.380 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623869754 1052830264 /nfs/dbraw/zinc/83/02/64/1052830264.db2.gz INSXDKABAYFSJR-GFCCVEGCSA-N 2 2 329.341 4.172 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(-c2ccccc2)n(C)n1 ZINC000623886327 1052833722 /nfs/dbraw/zinc/83/37/22/1052833722.db2.gz YXJTYERNLCEXPO-QGZVFWFLSA-N 2 2 349.482 4.025 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623903330 1052833965 /nfs/dbraw/zinc/83/39/65/1052833965.db2.gz CGQZOJHGDAILDI-SUMWQHHRSA-N 2 2 338.480 4.365 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000624188917 1052886289 /nfs/dbraw/zinc/88/62/89/1052886289.db2.gz LWYIQNAUKCXNPT-YOEHRIQHSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000624188917 1052886291 /nfs/dbraw/zinc/88/62/91/1052886291.db2.gz LWYIQNAUKCXNPT-YOEHRIQHSA-N 2 2 334.529 4.085 20 0 EIADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000181968388 1052906567 /nfs/dbraw/zinc/90/65/67/1052906567.db2.gz QZBVDOOMQKJLNI-HNNXBMFYSA-N 2 2 325.378 4.279 20 0 EIADLP CC[N@@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)C1 ZINC000182883545 1052954010 /nfs/dbraw/zinc/95/40/10/1052954010.db2.gz UNCFTADKSSJWGG-OXQOHEQNSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)C1 ZINC000182883545 1052954015 /nfs/dbraw/zinc/95/40/15/1052954015.db2.gz UNCFTADKSSJWGG-OXQOHEQNSA-N 2 2 338.499 4.029 20 0 EIADLP C[NH+](C)Cc1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)ccc1F ZINC000183607173 1052979444 /nfs/dbraw/zinc/97/94/44/1052979444.db2.gz IPJVUHIGXURRAN-OAQYLSRUSA-N 2 2 338.426 4.360 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1C ZINC000764432042 1053100902 /nfs/dbraw/zinc/10/09/02/1053100902.db2.gz JCIXQPOPCOSEPA-LZJOCLMNSA-N 2 2 329.532 4.136 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000765299379 1053496327 /nfs/dbraw/zinc/49/63/27/1053496327.db2.gz GIGUSIODMGOTAM-MRXNPFEDSA-N 2 2 343.540 4.442 20 0 EIADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865782281 1053592594 /nfs/dbraw/zinc/59/25/94/1053592594.db2.gz PHILEPDOGNZGMP-SWLSCSKDSA-N 2 2 341.402 4.168 20 0 EIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OC ZINC000865824986 1053601477 /nfs/dbraw/zinc/60/14/77/1053601477.db2.gz UKGCSOZQOJPNMC-QGZVFWFLSA-N 2 2 327.453 4.183 20 0 EIADLP CSc1ccccc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000866343570 1053697804 /nfs/dbraw/zinc/69/78/04/1053697804.db2.gz OEJLXUWNOYTVHV-LAUBAEHRSA-N 2 2 349.503 4.299 20 0 EIADLP CSc1ccccc1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000866360628 1053704535 /nfs/dbraw/zinc/70/45/35/1053704535.db2.gz FRSUSGHOUSQPCY-IIBYNOLFSA-N 2 2 349.503 4.368 20 0 EIADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866706770 1053818727 /nfs/dbraw/zinc/81/87/27/1053818727.db2.gz RDJVQKTTXUYMBD-QGZVFWFLSA-N 2 2 335.542 4.069 20 0 EIADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866706770 1053818729 /nfs/dbraw/zinc/81/87/29/1053818729.db2.gz RDJVQKTTXUYMBD-QGZVFWFLSA-N 2 2 335.542 4.069 20 0 EIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930815 1054027429 /nfs/dbraw/zinc/02/74/29/1054027429.db2.gz SWIOPRDKTNLUHT-KBPBESRZSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930815 1054027443 /nfs/dbraw/zinc/02/74/43/1054027443.db2.gz SWIOPRDKTNLUHT-KBPBESRZSA-N 2 2 333.838 4.146 20 0 EIADLP Cc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CCC2)o1 ZINC000542669153 1054185523 /nfs/dbraw/zinc/18/55/23/1054185523.db2.gz AMPQNIAYOJDOMT-OAQYLSRUSA-N 2 2 335.451 4.464 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC001198967738 1054313749 /nfs/dbraw/zinc/31/37/49/1054313749.db2.gz BZNJKGZGBBDBFQ-VHTFYLNKSA-N 2 2 342.433 4.405 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@@H]1CCCOC1 ZINC000872050630 1054362596 /nfs/dbraw/zinc/36/25/96/1054362596.db2.gz AKVCHRDWGKBPPI-GIVPXCGWSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001199207827 1054364976 /nfs/dbraw/zinc/36/49/76/1054364976.db2.gz BLUSYVXWNPUHOT-NVAPOSRTSA-N 2 2 347.462 4.154 20 0 EIADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001199392556 1054397109 /nfs/dbraw/zinc/39/71/09/1054397109.db2.gz UKOWDNDZNUYVBT-UGKGYDQZSA-N 2 2 344.543 4.213 20 0 EIADLP [NH3+]C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@H]1C(F)(F)F ZINC000872147704 1054411894 /nfs/dbraw/zinc/41/18/94/1054411894.db2.gz CYUWSFNRSVIHJG-MWLCHTKSSA-N 2 2 348.821 4.124 20 0 EIADLP [NH3+]C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@H]1C(F)(F)F ZINC000872147704 1054411901 /nfs/dbraw/zinc/41/19/01/1054411901.db2.gz CYUWSFNRSVIHJG-MWLCHTKSSA-N 2 2 348.821 4.124 20 0 EIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC001200872176 1054563506 /nfs/dbraw/zinc/56/35/06/1054563506.db2.gz JXIRYGQITLTVOL-NRFANRHFSA-N 2 2 340.536 4.189 20 0 EIADLP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001200880368 1054566675 /nfs/dbraw/zinc/56/66/75/1054566675.db2.gz SIMJNHSDFTZRMG-DOTOQJQBSA-N 2 2 330.497 4.144 20 0 EIADLP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001200880368 1054566693 /nfs/dbraw/zinc/56/66/93/1054566693.db2.gz SIMJNHSDFTZRMG-DOTOQJQBSA-N 2 2 330.497 4.144 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000859215033 1054645864 /nfs/dbraw/zinc/64/58/64/1054645864.db2.gz UVRQZNGORMTADT-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000859215033 1054645870 /nfs/dbraw/zinc/64/58/70/1054645870.db2.gz UVRQZNGORMTADT-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP CCC[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201541168 1054834239 /nfs/dbraw/zinc/83/42/39/1054834239.db2.gz DETXTHLILLNKJP-INIZCTEOSA-N 2 2 335.561 4.318 20 0 EIADLP CCC[C@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201541168 1054834244 /nfs/dbraw/zinc/83/42/44/1054834244.db2.gz DETXTHLILLNKJP-INIZCTEOSA-N 2 2 335.561 4.318 20 0 EIADLP CCCC[C@@H](CC)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201558942 1054848315 /nfs/dbraw/zinc/84/83/15/1054848315.db2.gz GPJYEJLHNCDURP-QGZVFWFLSA-N 2 2 334.552 4.100 20 0 EIADLP CCCC[C@@H](CC)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201558942 1054848325 /nfs/dbraw/zinc/84/83/25/1054848325.db2.gz GPJYEJLHNCDURP-QGZVFWFLSA-N 2 2 334.552 4.100 20 0 EIADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001201952535 1054964985 /nfs/dbraw/zinc/96/49/85/1054964985.db2.gz RKGNOYHRYFDEJY-UHFFFAOYSA-N 2 2 332.491 4.194 20 0 EIADLP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001201952535 1054964999 /nfs/dbraw/zinc/96/49/99/1054964999.db2.gz RKGNOYHRYFDEJY-UHFFFAOYSA-N 2 2 332.491 4.194 20 0 EIADLP CSC(C)(C)CC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000876823818 1054966175 /nfs/dbraw/zinc/96/61/75/1054966175.db2.gz HOYKQAGSFOGVNA-UHFFFAOYSA-N 2 2 335.561 4.161 20 0 EIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876932857 1054985024 /nfs/dbraw/zinc/98/50/24/1054985024.db2.gz YFIAUOOCDJKSEG-AWEZNQCLSA-N 2 2 349.931 4.461 20 0 EIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876932857 1054985034 /nfs/dbraw/zinc/98/50/34/1054985034.db2.gz YFIAUOOCDJKSEG-AWEZNQCLSA-N 2 2 349.931 4.461 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccns1 ZINC000877659440 1055101862 /nfs/dbraw/zinc/10/18/62/1055101862.db2.gz SCQYPBLABBJNKZ-QILLFSRXSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccns1 ZINC000877659440 1055101868 /nfs/dbraw/zinc/10/18/68/1055101868.db2.gz SCQYPBLABBJNKZ-QILLFSRXSA-N 2 2 327.497 4.162 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC001168622863 1055607350 /nfs/dbraw/zinc/60/73/50/1055607350.db2.gz QAAHZACZPYOCBR-LJQANCHMSA-N 2 2 327.378 4.391 20 0 EIADLP CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765851305 1055918325 /nfs/dbraw/zinc/91/83/25/1055918325.db2.gz YKEPWPJVVGVISL-QGZVFWFLSA-N 2 2 334.467 4.179 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391321 1058590277 /nfs/dbraw/zinc/59/02/77/1058590277.db2.gz HVPMEVWJAKWPGQ-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccnc(Cl)c1 ZINC000766305762 1059367057 /nfs/dbraw/zinc/36/70/57/1059367057.db2.gz SKPNYYHIYIYFMX-PBHICJAKSA-N 2 2 340.858 4.103 20 0 EIADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204018347 1060508822 /nfs/dbraw/zinc/50/88/22/1060508822.db2.gz NABHOZBQSNNXRM-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204018347 1060508844 /nfs/dbraw/zinc/50/88/44/1060508844.db2.gz NABHOZBQSNNXRM-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000766551982 1060535340 /nfs/dbraw/zinc/53/53/40/1060535340.db2.gz XKBKIGQEUNBZDS-UYAOXDASSA-N 2 2 331.548 4.488 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000766551982 1060535361 /nfs/dbraw/zinc/53/53/61/1060535361.db2.gz XKBKIGQEUNBZDS-UYAOXDASSA-N 2 2 331.548 4.488 20 0 EIADLP [NH3+]Cc1cccc2c1cnn2-c1cc[nH+]c2ccc(C(F)(F)F)cc21 ZINC001169193263 1060680672 /nfs/dbraw/zinc/68/06/72/1060680672.db2.gz WZOYRLMPSRHNDC-UHFFFAOYSA-N 2 2 342.324 4.051 20 0 EIADLP FC1(F)CCC[C@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001169218505 1060696860 /nfs/dbraw/zinc/69/68/60/1060696860.db2.gz SLBFUNMCXJOPJU-KRWDZBQOSA-N 2 2 325.447 4.201 20 0 EIADLP C[NH+](C)CCC(C)(C)Nc1[nH+]ccc2cccc(C(F)(F)F)c21 ZINC001169716856 1060917320 /nfs/dbraw/zinc/91/73/20/1060917320.db2.gz XPNVEFNZSMNRNG-UHFFFAOYSA-N 2 2 325.378 4.396 20 0 EIADLP CCOc1ccccc1C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000078725165 217108694 /nfs/dbraw/zinc/10/86/94/217108694.db2.gz JQUUJRNZVVAZFX-KRWDZBQOSA-N 2 2 326.484 4.304 20 0 EIADLP COc1ccc2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165050471 721973834 /nfs/dbraw/zinc/97/38/34/721973834.db2.gz YKMPXBOVMSONDC-GOSISDBHSA-N 2 2 339.483 4.088 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000532196800 1032079276 /nfs/dbraw/zinc/07/92/76/1032079276.db2.gz QFIWZOOLPLGMEX-SFHVURJKSA-N 2 2 333.479 4.387 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000532196790 1032080750 /nfs/dbraw/zinc/08/07/50/1032080750.db2.gz QFIWZOOLPLGMEX-GOSISDBHSA-N 2 2 333.479 4.387 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(SCC(F)F)cc1 ZINC000532195020 1032081683 /nfs/dbraw/zinc/08/16/83/1032081683.db2.gz IOPLLDCTBXEOJG-AWEZNQCLSA-N 2 2 339.455 4.371 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238700 1032117947 /nfs/dbraw/zinc/11/79/47/1032117947.db2.gz OUADWFQROOLXDM-KGLIPLIRSA-N 2 2 328.472 4.036 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238700 1032117956 /nfs/dbraw/zinc/11/79/56/1032117956.db2.gz OUADWFQROOLXDM-KGLIPLIRSA-N 2 2 328.472 4.036 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683608 1032149485 /nfs/dbraw/zinc/14/94/85/1032149485.db2.gz QANNFOXJJRBAFU-SDJNJSQNSA-N 2 2 342.527 4.103 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683608 1032149503 /nfs/dbraw/zinc/14/95/03/1032149503.db2.gz QANNFOXJJRBAFU-SDJNJSQNSA-N 2 2 342.527 4.103 20 0 EIADLP C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302800382 1032512609 /nfs/dbraw/zinc/51/26/09/1032512609.db2.gz TZJPLNLJLJNQOM-UHFFFAOYSA-N 2 2 343.377 4.106 20 0 EIADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302800382 1032512622 /nfs/dbraw/zinc/51/26/22/1032512622.db2.gz TZJPLNLJLJNQOM-UHFFFAOYSA-N 2 2 343.377 4.106 20 0 EIADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199476 1032523266 /nfs/dbraw/zinc/52/32/66/1032523266.db2.gz KZFNBGBFNARIHN-MGPUTAFESA-N 2 2 333.435 4.219 20 0 EIADLP Cc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000533227790 1032558974 /nfs/dbraw/zinc/55/89/74/1032558974.db2.gz KJZIDIOPCAWFKC-FQEVSTJZSA-N 2 2 342.527 4.073 20 0 EIADLP Cc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c(C)c1 ZINC000533227790 1032558978 /nfs/dbraw/zinc/55/89/78/1032558978.db2.gz KJZIDIOPCAWFKC-FQEVSTJZSA-N 2 2 342.527 4.073 20 0 EIADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000432732333 1032617136 /nfs/dbraw/zinc/61/71/36/1032617136.db2.gz ULUNTBFRAKJAHD-AAEUAGOBSA-N 2 2 329.391 4.047 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1n1cc[nH+]c1 ZINC000432732333 1032617149 /nfs/dbraw/zinc/61/71/49/1032617149.db2.gz ULUNTBFRAKJAHD-AAEUAGOBSA-N 2 2 329.391 4.047 20 0 EIADLP C[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C[C@H]1n1cc[nH+]c1 ZINC000246195188 1032795476 /nfs/dbraw/zinc/79/54/76/1032795476.db2.gz LMMAVNGHWRTIPD-IUODEOHRSA-N 2 2 341.427 4.015 20 0 EIADLP C[C@@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C[C@H]1n1cc[nH+]c1 ZINC000246195188 1032795484 /nfs/dbraw/zinc/79/54/84/1032795484.db2.gz LMMAVNGHWRTIPD-IUODEOHRSA-N 2 2 341.427 4.015 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000274887447 1019837482 /nfs/dbraw/zinc/83/74/82/1019837482.db2.gz IULVEJFGOUWJGH-HNNXBMFYSA-N 2 2 329.875 4.050 20 0 EIADLP Fc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)o2)cc1 ZINC000179973138 1020005343 /nfs/dbraw/zinc/00/53/43/1020005343.db2.gz VMKHXLNXWIOIBV-UHFFFAOYSA-N 2 2 328.431 4.146 20 0 EIADLP Fc1ccc(C([NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(F)cc2)cc1 ZINC000180028747 1020034463 /nfs/dbraw/zinc/03/44/63/1020034463.db2.gz CFYREEKLSGQJSU-UHFFFAOYSA-N 2 2 342.433 4.271 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)[C@H](C)C2 ZINC000180082698 1020046589 /nfs/dbraw/zinc/04/65/89/1020046589.db2.gz JTCSNDPNZUPFSQ-VGOFRKELSA-N 2 2 331.463 4.263 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000340209768 1020631786 /nfs/dbraw/zinc/63/17/86/1020631786.db2.gz VAKXXEKCPGBXJK-UHFFFAOYSA-N 2 2 346.471 4.165 20 0 EIADLP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655693913 1020900085 /nfs/dbraw/zinc/90/00/85/1020900085.db2.gz ARCIPTCGQCHSPN-VQTJNVASSA-N 2 2 348.506 4.146 20 0 EIADLP Cc1ccc(-c2ncc(C[NH2+]CCCCn3cc[nH+]c3)s2)cc1C ZINC000655715593 1020912131 /nfs/dbraw/zinc/91/21/31/1020912131.db2.gz LRVMUUUFDKZQSD-UHFFFAOYSA-N 2 2 340.496 4.193 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848075 1021012060 /nfs/dbraw/zinc/01/20/60/1021012060.db2.gz AQQRHNDPYQXHJP-WTOYTKOKSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848075 1021012066 /nfs/dbraw/zinc/01/20/66/1021012066.db2.gz AQQRHNDPYQXHJP-WTOYTKOKSA-N 2 2 335.495 4.416 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000655848633 1021012405 /nfs/dbraw/zinc/01/24/05/1021012405.db2.gz JGGTYVIMANVAMM-BHYGNILZSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000655848633 1021012412 /nfs/dbraw/zinc/01/24/12/1021012412.db2.gz JGGTYVIMANVAMM-BHYGNILZSA-N 2 2 334.529 4.085 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnc2ccsc2c1 ZINC000177806933 1021705788 /nfs/dbraw/zinc/70/57/88/1021705788.db2.gz QBFUWJYZQFMEDY-AWEZNQCLSA-N 2 2 334.448 4.333 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379633445 1021846376 /nfs/dbraw/zinc/84/63/76/1021846376.db2.gz UMIMIUMMIIVYDH-YWZLYKJASA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379633445 1021846381 /nfs/dbraw/zinc/84/63/81/1021846381.db2.gz UMIMIUMMIIVYDH-YWZLYKJASA-N 2 2 330.422 4.108 20 0 EIADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc(C)c1F ZINC001143380253 1022302448 /nfs/dbraw/zinc/30/24/48/1022302448.db2.gz ISDNXXMTIGZPSD-UHFFFAOYSA-N 2 2 330.491 4.283 20 0 EIADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc(C)c1F ZINC001143380253 1022302474 /nfs/dbraw/zinc/30/24/74/1022302474.db2.gz ISDNXXMTIGZPSD-UHFFFAOYSA-N 2 2 330.491 4.283 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021227 1022360363 /nfs/dbraw/zinc/36/03/63/1022360363.db2.gz SRGZDTNRDXDHTN-ZWKOTPCHSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021227 1022360383 /nfs/dbraw/zinc/36/03/83/1022360383.db2.gz SRGZDTNRDXDHTN-ZWKOTPCHSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021227 1022360397 /nfs/dbraw/zinc/36/03/97/1022360397.db2.gz SRGZDTNRDXDHTN-ZWKOTPCHSA-N 2 2 325.500 4.254 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684021227 1022360413 /nfs/dbraw/zinc/36/04/13/1022360413.db2.gz SRGZDTNRDXDHTN-ZWKOTPCHSA-N 2 2 325.500 4.254 20 0 EIADLP Cc1ccc([C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000510361836 1022735870 /nfs/dbraw/zinc/73/58/70/1022735870.db2.gz FHGYJOPWEDCEQT-GCJKJVERSA-N 2 2 338.495 4.058 20 0 EIADLP CC[NH+]1CCC(CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000581030192 1022803889 /nfs/dbraw/zinc/80/38/89/1022803889.db2.gz PIXZHQJDWBEOCQ-UHFFFAOYSA-N 2 2 348.288 4.141 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000548153204 1022836919 /nfs/dbraw/zinc/83/69/19/1022836919.db2.gz YDJWZTHSSNTUCO-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000548153204 1022836920 /nfs/dbraw/zinc/83/69/20/1022836920.db2.gz YDJWZTHSSNTUCO-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(Cl)n2)cc1F ZINC000367629204 1022938019 /nfs/dbraw/zinc/93/80/19/1022938019.db2.gz BGGXRZPTCZXCBO-LBPRGKRZSA-N 2 2 344.821 4.219 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000510420926 1023173460 /nfs/dbraw/zinc/17/34/60/1023173460.db2.gz IBIIMKIJLVHSLU-UHFFFAOYSA-N 2 2 332.385 4.151 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000510420926 1023173465 /nfs/dbraw/zinc/17/34/65/1023173465.db2.gz IBIIMKIJLVHSLU-UHFFFAOYSA-N 2 2 332.385 4.151 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000090189499 1023394911 /nfs/dbraw/zinc/39/49/11/1023394911.db2.gz QBYFEKUMUYVVTB-UXHICEINSA-N 2 2 342.527 4.121 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000090189499 1023394924 /nfs/dbraw/zinc/39/49/24/1023394924.db2.gz QBYFEKUMUYVVTB-UXHICEINSA-N 2 2 342.527 4.121 20 0 EIADLP Brc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415077329 1023422991 /nfs/dbraw/zinc/42/29/91/1023422991.db2.gz HNWWSUCVFNDHJN-SJLPKXTDSA-N 2 2 345.284 4.032 20 0 EIADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415086176 1023435535 /nfs/dbraw/zinc/43/55/35/1023435535.db2.gz UIGLEYUEICQKCU-VQIMIIECSA-N 2 2 332.850 4.300 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000377407669 1023516601 /nfs/dbraw/zinc/51/66/01/1023516601.db2.gz AXOOHJQSRBLXGP-OCCSQVGLSA-N 2 2 333.888 4.137 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210329 1023545617 /nfs/dbraw/zinc/54/56/17/1023545617.db2.gz VPKBMEDGLKRJMN-OXJNMPFZSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210329 1023545625 /nfs/dbraw/zinc/54/56/25/1023545625.db2.gz VPKBMEDGLKRJMN-OXJNMPFZSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210328 1023546372 /nfs/dbraw/zinc/54/63/72/1023546372.db2.gz VPKBMEDGLKRJMN-JXFKEZNVSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210328 1023546376 /nfs/dbraw/zinc/54/63/76/1023546376.db2.gz VPKBMEDGLKRJMN-JXFKEZNVSA-N 2 2 343.902 4.298 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cncc(C)c2)c(C)c1 ZINC000343864881 1023676342 /nfs/dbraw/zinc/67/63/42/1023676342.db2.gz RAZZQCIHQUABOJ-RXVVDRJESA-N 2 2 334.467 4.295 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000301158694 1033187141 /nfs/dbraw/zinc/18/71/41/1033187141.db2.gz QIZCSTKZBVCKTM-SFHVURJKSA-N 2 2 338.495 4.319 20 0 EIADLP Fc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(Cl)c1Cl ZINC000432249329 1024759414 /nfs/dbraw/zinc/75/94/14/1024759414.db2.gz DAFJNDADWSPHIF-UHFFFAOYSA-N 2 2 328.218 4.119 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)CCC2 ZINC000432256501 1024772969 /nfs/dbraw/zinc/77/29/69/1024772969.db2.gz SVWJEYHLLOWYEF-GFCCVEGCSA-N 2 2 342.245 4.305 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174460 1024778455 /nfs/dbraw/zinc/77/84/55/1024778455.db2.gz CMYHQXHJBNKPNY-DZGCQCFKSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174460 1024778470 /nfs/dbraw/zinc/77/84/70/1024778470.db2.gz CMYHQXHJBNKPNY-DZGCQCFKSA-N 2 2 347.256 4.058 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)s1 ZINC000348710545 1024928884 /nfs/dbraw/zinc/92/88/84/1024928884.db2.gz DBJRJMHTACHACR-HXUWFJFHSA-N 2 2 343.540 4.149 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)s1 ZINC000348710545 1024928887 /nfs/dbraw/zinc/92/88/87/1024928887.db2.gz DBJRJMHTACHACR-HXUWFJFHSA-N 2 2 343.540 4.149 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)[C@@H](C)C2 ZINC000180989841 1025064545 /nfs/dbraw/zinc/06/45/45/1025064545.db2.gz AEZJZJCRDDDPSR-IUKKYPGJSA-N 2 2 349.522 4.439 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)oc21 ZINC000326675088 1025191691 /nfs/dbraw/zinc/19/16/91/1025191691.db2.gz NUDHFTCZJKSTCM-KDOFPFPSSA-N 2 2 341.455 4.403 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278873161 1025254265 /nfs/dbraw/zinc/25/42/65/1025254265.db2.gz GIFUEUVISFVUSO-TZMCWYRMSA-N 2 2 342.314 4.131 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000278873161 1025254284 /nfs/dbraw/zinc/25/42/84/1025254284.db2.gz GIFUEUVISFVUSO-TZMCWYRMSA-N 2 2 342.314 4.131 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000343969916 1025691120 /nfs/dbraw/zinc/69/11/20/1025691120.db2.gz CRMFZZTZICVTTB-HIFRSBDPSA-N 2 2 337.389 4.439 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000512056043 1025853953 /nfs/dbraw/zinc/85/39/53/1025853953.db2.gz FFDYIXVGJMFVKQ-HKEJHHQYSA-N 2 2 343.559 4.344 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000512056043 1025853956 /nfs/dbraw/zinc/85/39/56/1025853956.db2.gz FFDYIXVGJMFVKQ-HKEJHHQYSA-N 2 2 343.559 4.344 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422847 1025904786 /nfs/dbraw/zinc/90/47/86/1025904786.db2.gz VLHAPQPCYOYUDF-ZWKOTPCHSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422847 1025904800 /nfs/dbraw/zinc/90/48/00/1025904800.db2.gz VLHAPQPCYOYUDF-ZWKOTPCHSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450807 1026035430 /nfs/dbraw/zinc/03/54/30/1026035430.db2.gz YEJVGOZGBCWKKH-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450807 1026035452 /nfs/dbraw/zinc/03/54/52/1026035452.db2.gz YEJVGOZGBCWKKH-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000344201884 1026128723 /nfs/dbraw/zinc/12/87/23/1026128723.db2.gz YPZNSTZAKDMZSS-QGZVFWFLSA-N 2 2 347.871 4.065 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000512148098 1026137515 /nfs/dbraw/zinc/13/75/15/1026137515.db2.gz WHDXZAGBYPOQHU-OWOJBTEDSA-N 2 2 343.352 4.093 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000327564059 1026205006 /nfs/dbraw/zinc/20/50/06/1026205006.db2.gz UZESBDJPKOZYBK-JOCHJYFZSA-N 2 2 333.479 4.408 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000657358446 1026263624 /nfs/dbraw/zinc/26/36/24/1026263624.db2.gz DLMYMVNAHBCJLH-UHFFFAOYSA-N 2 2 340.515 4.130 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582210746 1026331401 /nfs/dbraw/zinc/33/14/01/1026331401.db2.gz GUSOSAKRHCVPPA-APWZRJJASA-N 2 2 337.492 4.211 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192741 1026345017 /nfs/dbraw/zinc/34/50/17/1026345017.db2.gz BUEFTMLBGBGJEH-RTBURBONSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192741 1026345034 /nfs/dbraw/zinc/34/50/34/1026345034.db2.gz BUEFTMLBGBGJEH-RTBURBONSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192741 1026345048 /nfs/dbraw/zinc/34/50/48/1026345048.db2.gz BUEFTMLBGBGJEH-RTBURBONSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192741 1026345059 /nfs/dbraw/zinc/34/50/59/1026345059.db2.gz BUEFTMLBGBGJEH-RTBURBONSA-N 2 2 340.511 4.049 20 0 EIADLP CCc1noc(C)c1C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000163390590 1026371481 /nfs/dbraw/zinc/37/14/81/1026371481.db2.gz JEFRZJYREWAMDR-UHFFFAOYSA-N 2 2 333.520 4.020 20 0 EIADLP CCc1noc(C)c1C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000163390590 1026371493 /nfs/dbraw/zinc/37/14/93/1026371493.db2.gz JEFRZJYREWAMDR-UHFFFAOYSA-N 2 2 333.520 4.020 20 0 EIADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC001167573647 1026620195 /nfs/dbraw/zinc/62/01/95/1026620195.db2.gz XIPYKNNNJCKBNP-UHFFFAOYSA-N 2 2 341.499 4.356 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000152561790 1026676061 /nfs/dbraw/zinc/67/60/61/1026676061.db2.gz UNCZHDWWFJOVPK-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000152561790 1026676068 /nfs/dbraw/zinc/67/60/68/1026676068.db2.gz UNCZHDWWFJOVPK-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP CCCCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000512365162 1026808232 /nfs/dbraw/zinc/80/82/32/1026808232.db2.gz SWCDWRYUDRZMBB-UHFFFAOYSA-N 2 2 327.472 4.358 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000507520081 1026825571 /nfs/dbraw/zinc/82/55/71/1026825571.db2.gz MZQSGKHCUXRAHY-IAGOWNOFSA-N 2 2 343.540 4.268 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000507520081 1026825573 /nfs/dbraw/zinc/82/55/73/1026825573.db2.gz MZQSGKHCUXRAHY-IAGOWNOFSA-N 2 2 343.540 4.268 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000474479039 1027097513 /nfs/dbraw/zinc/09/75/13/1027097513.db2.gz WYYOGFRVPWEULA-CVEARBPZSA-N 2 2 331.529 4.254 20 0 EIADLP C[N@@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301890929 1027131930 /nfs/dbraw/zinc/13/19/30/1027131930.db2.gz RALLHAGOKXDFEM-SUMWQHHRSA-N 2 2 326.469 4.119 20 0 EIADLP C[N@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301890929 1027131964 /nfs/dbraw/zinc/13/19/64/1027131964.db2.gz RALLHAGOKXDFEM-SUMWQHHRSA-N 2 2 326.469 4.119 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582738992 1027160276 /nfs/dbraw/zinc/16/02/76/1027160276.db2.gz LNSAZQCNQJFGJU-MNEFBYGVSA-N 2 2 335.426 4.293 20 0 EIADLP CC(C)C[C@H](C)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000520288350 1027392568 /nfs/dbraw/zinc/39/25/68/1027392568.db2.gz MVPAAPQYMKFQNA-OALUTQOASA-N 2 2 332.532 4.158 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnc(Cl)c1 ZINC000163249713 1027579845 /nfs/dbraw/zinc/57/98/45/1027579845.db2.gz ZGWKWPWJOLJXCR-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnc(Cl)c1 ZINC000163249713 1027579859 /nfs/dbraw/zinc/57/98/59/1027579859.db2.gz ZGWKWPWJOLJXCR-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP Fc1ccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)cc1 ZINC000475570406 1027660722 /nfs/dbraw/zinc/66/07/22/1027660722.db2.gz CDHRDWNGEBAKHE-UHFFFAOYSA-N 2 2 328.431 4.192 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646776 1027665810 /nfs/dbraw/zinc/66/58/10/1027665810.db2.gz AVBIPIAMXGBBRG-BHYGNILZSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646776 1027665834 /nfs/dbraw/zinc/66/58/34/1027665834.db2.gz AVBIPIAMXGBBRG-BHYGNILZSA-N 2 2 327.497 4.088 20 0 EIADLP Clc1ccc(CCCC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000474922598 1027802992 /nfs/dbraw/zinc/80/29/92/1027802992.db2.gz GPVOGBSUYQKIRD-AWEZNQCLSA-N 2 2 338.282 4.117 20 0 EIADLP CCCc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694853 1028181055 /nfs/dbraw/zinc/18/10/55/1028181055.db2.gz HOQRJIGRQDLLOY-YADHBBJMSA-N 2 2 344.543 4.179 20 0 EIADLP CC(C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)Cc1ccccc1 ZINC000346178205 1028309999 /nfs/dbraw/zinc/30/99/99/1028309999.db2.gz OOSATSSOWSRCED-UHFFFAOYSA-N 2 2 343.540 4.320 20 0 EIADLP CC(C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)Cc1ccccc1 ZINC000346178205 1028310034 /nfs/dbraw/zinc/31/00/34/1028310034.db2.gz OOSATSSOWSRCED-UHFFFAOYSA-N 2 2 343.540 4.320 20 0 EIADLP CC(C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)Cc1ccccc1 ZINC000346178205 1028310055 /nfs/dbraw/zinc/31/00/55/1028310055.db2.gz OOSATSSOWSRCED-UHFFFAOYSA-N 2 2 343.540 4.320 20 0 EIADLP CC(C)[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)Cc1ccccc1 ZINC000346178205 1028310074 /nfs/dbraw/zinc/31/00/74/1028310074.db2.gz OOSATSSOWSRCED-UHFFFAOYSA-N 2 2 343.540 4.320 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000523738107 1028342743 /nfs/dbraw/zinc/34/27/43/1028342743.db2.gz ANNYTSMTNCTCII-UHFFFAOYSA-N 2 2 330.447 4.360 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000126810995 1028679566 /nfs/dbraw/zinc/67/95/66/1028679566.db2.gz SSKFYOLDCORACP-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000126810995 1028679576 /nfs/dbraw/zinc/67/95/76/1028679576.db2.gz SSKFYOLDCORACP-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2c1OC(F)F ZINC000151113183 1029071490 /nfs/dbraw/zinc/07/14/90/1029071490.db2.gz VIHPRYONLFMRIL-CQSZACIVSA-N 2 2 345.393 4.379 20 0 EIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163841216 1029095429 /nfs/dbraw/zinc/09/54/29/1029095429.db2.gz KDNDSQRYXHSNQI-CYBMUJFWSA-N 2 2 332.517 4.297 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000151351678 1029492381 /nfs/dbraw/zinc/49/23/81/1029492381.db2.gz YLMSEJZKPZPZMM-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP CCc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475335574 1029549321 /nfs/dbraw/zinc/54/93/21/1029549321.db2.gz ROTIPUUVGBLTLZ-UHFFFAOYSA-N 2 2 340.433 4.144 20 0 EIADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000475336297 1029549841 /nfs/dbraw/zinc/54/98/41/1029549841.db2.gz NWORIRVQQKGLCH-UYAOXDASSA-N 2 2 335.426 4.437 20 0 EIADLP Fc1ccc([C@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000475337105 1029551692 /nfs/dbraw/zinc/55/16/92/1029551692.db2.gz PNVGRKGYBKTOBW-RDJZCZTQSA-N 2 2 341.455 4.499 20 0 EIADLP C[C@H]1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H](C)C1 ZINC000475347951 1029564515 /nfs/dbraw/zinc/56/45/15/1029564515.db2.gz SNPUSIPGNGYPNF-QJRTVWDNSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C ZINC000475352773 1029566252 /nfs/dbraw/zinc/56/62/52/1029566252.db2.gz JAPIRBXHSGZGFP-KTQJEEDSSA-N 2 2 332.454 4.206 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000446844640 1029609282 /nfs/dbraw/zinc/60/92/82/1029609282.db2.gz IMVSHPFMUWTFDK-QGZVFWFLSA-N 2 2 328.422 4.453 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCO3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065135 1029641795 /nfs/dbraw/zinc/64/17/95/1029641795.db2.gz UBQYTUAVEOTJOY-CEQLMSFQSA-N 2 2 342.527 4.073 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCO3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065135 1029641803 /nfs/dbraw/zinc/64/18/03/1029641803.db2.gz UBQYTUAVEOTJOY-CEQLMSFQSA-N 2 2 342.527 4.073 20 0 EIADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000584136980 1029642238 /nfs/dbraw/zinc/64/22/38/1029642238.db2.gz YMJLWXQZKCJATM-IBGZPJMESA-N 2 2 336.907 4.024 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000429713332 1029699070 /nfs/dbraw/zinc/69/90/70/1029699070.db2.gz DFZYLFRBIIZQHA-LJQANCHMSA-N 2 2 326.415 4.060 20 0 EIADLP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3Cl)CC2)cc1F ZINC000301556477 1029758728 /nfs/dbraw/zinc/75/87/28/1029758728.db2.gz ZZEZYXSGBDRLDC-UHFFFAOYSA-N 2 2 337.801 4.090 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000080961708 1029767449 /nfs/dbraw/zinc/76/74/49/1029767449.db2.gz YKBMGQXXLVFZIC-AWEZNQCLSA-N 2 2 340.858 4.299 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000080961708 1029767455 /nfs/dbraw/zinc/76/74/55/1029767455.db2.gz YKBMGQXXLVFZIC-AWEZNQCLSA-N 2 2 340.858 4.299 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000092748208 1029943476 /nfs/dbraw/zinc/94/34/76/1029943476.db2.gz GLNIRULIVDHVPD-FAXKSRBJSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000092748208 1029943494 /nfs/dbraw/zinc/94/34/94/1029943494.db2.gz GLNIRULIVDHVPD-FAXKSRBJSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000092752648 1029946380 /nfs/dbraw/zinc/94/63/80/1029946380.db2.gz QWXFPYNPJATZHO-IYOUNJFTSA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000092752648 1029946387 /nfs/dbraw/zinc/94/63/87/1029946387.db2.gz QWXFPYNPJATZHO-IYOUNJFTSA-N 2 2 333.476 4.016 20 0 EIADLP FC(F)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390550049 1029959375 /nfs/dbraw/zinc/95/93/75/1029959375.db2.gz BUNJQLSWNZDWGS-LJQANCHMSA-N 2 2 330.422 4.378 20 0 EIADLP FC(F)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390550049 1029959396 /nfs/dbraw/zinc/95/93/96/1029959396.db2.gz BUNJQLSWNZDWGS-LJQANCHMSA-N 2 2 330.422 4.378 20 0 EIADLP c1csc([C@H]2c3ccsc3CC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182661230 1029974556 /nfs/dbraw/zinc/97/45/56/1029974556.db2.gz KRFQFTPOVFKGTA-QGZVFWFLSA-N 2 2 329.494 4.044 20 0 EIADLP c1csc([C@H]2c3ccsc3CC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182661230 1029974585 /nfs/dbraw/zinc/97/45/85/1029974585.db2.gz KRFQFTPOVFKGTA-QGZVFWFLSA-N 2 2 329.494 4.044 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409809 1030205378 /nfs/dbraw/zinc/20/53/78/1030205378.db2.gz PORTUTNPHCYCOM-GOEBONIOSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409809 1030205401 /nfs/dbraw/zinc/20/54/01/1030205401.db2.gz PORTUTNPHCYCOM-GOEBONIOSA-N 2 2 329.513 4.334 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222729 1030215570 /nfs/dbraw/zinc/21/55/70/1030215570.db2.gz RCPYHKQIIOQLGI-HRAATJIYSA-N 2 2 336.479 4.297 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000685410733 1030284341 /nfs/dbraw/zinc/28/43/41/1030284341.db2.gz IRNPWSJDHIPDEX-SDNWHVSQSA-N 2 2 326.406 4.135 20 0 EIADLP FC(F)c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000526974013 1030374180 /nfs/dbraw/zinc/37/41/80/1030374180.db2.gz OYSIDSXXHZFZGI-UHFFFAOYSA-N 2 2 327.378 4.159 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189370329 1030464697 /nfs/dbraw/zinc/46/46/97/1030464697.db2.gz LHBPBAVLKVNEII-OXJNMPFZSA-N 2 2 333.435 4.355 20 0 EIADLP CSc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000685617388 1030577838 /nfs/dbraw/zinc/57/78/38/1030577838.db2.gz MRFDRAWZLYMHIK-INIZCTEOSA-N 2 2 343.521 4.277 20 0 EIADLP Fc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC000527349001 1030638661 /nfs/dbraw/zinc/63/86/61/1030638661.db2.gz YKOCDBWWXNHJBQ-RBUKOAKNSA-N 2 2 335.426 4.437 20 0 EIADLP Clc1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000321891446 1030670825 /nfs/dbraw/zinc/67/08/25/1030670825.db2.gz LNPRMFBMJOCRRM-HNNXBMFYSA-N 2 2 347.915 4.433 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000192129286 1030673997 /nfs/dbraw/zinc/67/39/97/1030673997.db2.gz AMKYQYZLKNFJRB-UHFFFAOYSA-N 2 2 340.496 4.090 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCc1nccs1)C(C)C ZINC000192129286 1030674006 /nfs/dbraw/zinc/67/40/06/1030674006.db2.gz AMKYQYZLKNFJRB-UHFFFAOYSA-N 2 2 340.496 4.090 20 0 EIADLP CCC[NH+]1CCC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000666320620 1030841906 /nfs/dbraw/zinc/84/19/06/1030841906.db2.gz WTJVGGCSOKTPTD-UHFFFAOYSA-N 2 2 338.499 4.173 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000531212755 1030984860 /nfs/dbraw/zinc/98/48/60/1030984860.db2.gz FSDLSPZQXAIURH-JKSUJKDBSA-N 2 2 337.389 4.331 20 0 EIADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000532446169 1031078989 /nfs/dbraw/zinc/07/89/89/1031078989.db2.gz CJVSFQZOFVBPMV-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507548 1031228427 /nfs/dbraw/zinc/22/84/27/1031228427.db2.gz GXMCNMQGOSDVKH-BEFAXECRSA-N 2 2 328.431 4.048 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000532507548 1031228450 /nfs/dbraw/zinc/22/84/50/1031228450.db2.gz GXMCNMQGOSDVKH-BEFAXECRSA-N 2 2 328.431 4.048 20 0 EIADLP COc1ccc2oc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)c(C)c2c1 ZINC000531684597 1031474483 /nfs/dbraw/zinc/47/44/83/1031474483.db2.gz IVHALLNXRBMYMD-HNNXBMFYSA-N 2 2 327.428 4.077 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000449155858 1031486635 /nfs/dbraw/zinc/48/66/35/1031486635.db2.gz MQPWMGJJNHCACF-HKUYNNGSSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449351622 1031648278 /nfs/dbraw/zinc/64/82/78/1031648278.db2.gz QNDOHOOAXLHSBC-LLVKDONJSA-N 2 2 331.769 4.346 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449351623 1031648916 /nfs/dbraw/zinc/64/89/16/1031648916.db2.gz QNDOHOOAXLHSBC-NSHDSACASA-N 2 2 331.769 4.346 20 0 EIADLP CCCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449526849 1031822920 /nfs/dbraw/zinc/82/29/20/1031822920.db2.gz XXMAEPWJBAZVEM-LJQANCHMSA-N 2 2 345.531 4.168 20 0 EIADLP c1csc([C@@H]2C[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000449617982 1031895058 /nfs/dbraw/zinc/89/50/58/1031895058.db2.gz AMCIHOPOKBMTDD-CJNGLKHVSA-N 2 2 345.493 4.005 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000378089454 1032053843 /nfs/dbraw/zinc/05/38/43/1032053843.db2.gz NSONRLQFEODMDK-HNNXBMFYSA-N 2 2 342.418 4.124 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000378089454 1032053863 /nfs/dbraw/zinc/05/38/63/1032053863.db2.gz NSONRLQFEODMDK-HNNXBMFYSA-N 2 2 342.418 4.124 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152226766 1033790485 /nfs/dbraw/zinc/79/04/85/1033790485.db2.gz COWNXIUJHDZPQJ-LJQANCHMSA-N 2 2 333.435 4.184 20 0 EIADLP Oc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1Cl ZINC000645145457 1033839158 /nfs/dbraw/zinc/83/91/58/1033839158.db2.gz MGMGZSNONGQILS-UHFFFAOYSA-N 2 2 344.886 4.321 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000512768721 1033893113 /nfs/dbraw/zinc/89/31/13/1033893113.db2.gz HYZHLHRXZYLVKK-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000512768721 1033893118 /nfs/dbraw/zinc/89/31/18/1033893118.db2.gz HYZHLHRXZYLVKK-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512768721 1033893122 /nfs/dbraw/zinc/89/31/22/1033893122.db2.gz HYZHLHRXZYLVKK-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000512768721 1033893128 /nfs/dbraw/zinc/89/31/28/1033893128.db2.gz HYZHLHRXZYLVKK-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773583 1033906641 /nfs/dbraw/zinc/90/66/41/1033906641.db2.gz OWLZJUOQZGOQAW-INIZCTEOSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773583 1033906654 /nfs/dbraw/zinc/90/66/54/1033906654.db2.gz OWLZJUOQZGOQAW-INIZCTEOSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773583 1033906664 /nfs/dbraw/zinc/90/66/64/1033906664.db2.gz OWLZJUOQZGOQAW-INIZCTEOSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773583 1033906676 /nfs/dbraw/zinc/90/66/76/1033906676.db2.gz OWLZJUOQZGOQAW-INIZCTEOSA-N 2 2 331.891 4.194 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000512774656 1033907644 /nfs/dbraw/zinc/90/76/44/1033907644.db2.gz YUTVMOZOYAHDGY-SFHVURJKSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000512774656 1033907656 /nfs/dbraw/zinc/90/76/56/1033907656.db2.gz YUTVMOZOYAHDGY-SFHVURJKSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000512774656 1033907667 /nfs/dbraw/zinc/90/76/67/1033907667.db2.gz YUTVMOZOYAHDGY-SFHVURJKSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000512774656 1033907680 /nfs/dbraw/zinc/90/76/80/1033907680.db2.gz YUTVMOZOYAHDGY-SFHVURJKSA-N 2 2 338.495 4.136 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246544190 1034830310 /nfs/dbraw/zinc/83/03/10/1034830310.db2.gz WCCKGJKBPYDLLJ-XQBPLPMBSA-N 2 2 336.479 4.001 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246544190 1034830313 /nfs/dbraw/zinc/83/03/13/1034830313.db2.gz WCCKGJKBPYDLLJ-XQBPLPMBSA-N 2 2 336.479 4.001 20 0 EIADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513434804 1034940029 /nfs/dbraw/zinc/94/00/29/1034940029.db2.gz MEFFHKANWIDXSS-QGZVFWFLSA-N 2 2 347.572 4.499 20 0 EIADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513434804 1034940036 /nfs/dbraw/zinc/94/00/36/1034940036.db2.gz MEFFHKANWIDXSS-QGZVFWFLSA-N 2 2 347.572 4.499 20 0 EIADLP Clc1ccccc1SCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345701336 1035284017 /nfs/dbraw/zinc/28/40/17/1035284017.db2.gz ZSULIHDVFYHCOU-UHFFFAOYSA-N 2 2 335.904 4.425 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278249 1035495591 /nfs/dbraw/zinc/49/55/91/1035495591.db2.gz VEUCQJDTSZJFOU-LSDHHAIUSA-N 2 2 347.890 4.296 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278249 1035495595 /nfs/dbraw/zinc/49/55/95/1035495595.db2.gz VEUCQJDTSZJFOU-LSDHHAIUSA-N 2 2 347.890 4.296 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1Cl ZINC000195448279 1035845992 /nfs/dbraw/zinc/84/59/92/1035845992.db2.gz HBVNOORXHMHDEN-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000502431783 1036194762 /nfs/dbraw/zinc/19/47/62/1036194762.db2.gz PFLNPZNRGJTFTO-FUHIMQAGSA-N 2 2 326.484 4.458 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000502431783 1036194774 /nfs/dbraw/zinc/19/47/74/1036194774.db2.gz PFLNPZNRGJTFTO-FUHIMQAGSA-N 2 2 326.484 4.458 20 0 EIADLP C[N@@H+](Cc1cccc(C2CC2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000421349560 1036293411 /nfs/dbraw/zinc/29/34/11/1036293411.db2.gz XYJRWCGXJHVYMP-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[N@H+](Cc1cccc(C2CC2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000421349560 1036293428 /nfs/dbraw/zinc/29/34/28/1036293428.db2.gz XYJRWCGXJHVYMP-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](Cc1cccc(C2CC2)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000421349560 1036293451 /nfs/dbraw/zinc/29/34/51/1036293451.db2.gz XYJRWCGXJHVYMP-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[NH+](Cc1cccc(C2CC2)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000421349560 1036293470 /nfs/dbraw/zinc/29/34/70/1036293470.db2.gz XYJRWCGXJHVYMP-VXKWHMMOSA-N 2 2 335.495 4.084 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693074 1036544762 /nfs/dbraw/zinc/54/47/62/1036544762.db2.gz GPCMKSNRHROUCM-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693074 1036544796 /nfs/dbraw/zinc/54/47/96/1036544796.db2.gz GPCMKSNRHROUCM-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693074 1036544818 /nfs/dbraw/zinc/54/48/18/1036544818.db2.gz GPCMKSNRHROUCM-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000502693074 1036544829 /nfs/dbraw/zinc/54/48/29/1036544829.db2.gz GPCMKSNRHROUCM-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693072 1036547515 /nfs/dbraw/zinc/54/75/15/1036547515.db2.gz GPCMKSNRHROUCM-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693072 1036547534 /nfs/dbraw/zinc/54/75/34/1036547534.db2.gz GPCMKSNRHROUCM-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693072 1036547544 /nfs/dbraw/zinc/54/75/44/1036547544.db2.gz GPCMKSNRHROUCM-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000502693072 1036547563 /nfs/dbraw/zinc/54/75/63/1036547563.db2.gz GPCMKSNRHROUCM-IAGOWNOFSA-N 2 2 337.305 4.070 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720490 1036562322 /nfs/dbraw/zinc/56/23/22/1036562322.db2.gz GAHXPXICJJNWIF-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720490 1036562351 /nfs/dbraw/zinc/56/23/51/1036562351.db2.gz GAHXPXICJJNWIF-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720490 1036562367 /nfs/dbraw/zinc/56/23/67/1036562367.db2.gz GAHXPXICJJNWIF-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000502720490 1036562387 /nfs/dbraw/zinc/56/23/87/1036562387.db2.gz GAHXPXICJJNWIF-DLBZAZTESA-N 2 2 337.305 4.070 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)CCC2 ZINC000421828769 1036786591 /nfs/dbraw/zinc/78/65/91/1036786591.db2.gz FEJQWDRFFYNQIK-SWLSCSKDSA-N 2 2 335.854 4.082 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C(C)C)c(F)c1 ZINC000421858932 1036811029 /nfs/dbraw/zinc/81/10/29/1036811029.db2.gz RXAIFESJYHXKQS-ALLBUHFWSA-N 2 2 334.479 4.138 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669681835 1036849315 /nfs/dbraw/zinc/84/93/15/1036849315.db2.gz MDJCEESCUVZBGQ-IDKBZEPQSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669681835 1036849317 /nfs/dbraw/zinc/84/93/17/1036849317.db2.gz MDJCEESCUVZBGQ-IDKBZEPQSA-N 2 2 338.417 4.183 20 0 EIADLP COC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000487166912 1037025729 /nfs/dbraw/zinc/02/57/29/1037025729.db2.gz XZPIBERGPMCPGL-QGZVFWFLSA-N 2 2 347.871 4.065 20 0 EIADLP Cc1ccsc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272305740 1037157515 /nfs/dbraw/zinc/15/75/15/1037157515.db2.gz SESDOWSXNBVKGZ-HNNXBMFYSA-N 2 2 344.528 4.155 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)n2c1CCCC2 ZINC000669714454 1037353421 /nfs/dbraw/zinc/35/34/21/1037353421.db2.gz AKQVUIKPPCLZNA-IBGZPJMESA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)n2c1CCCC2 ZINC000669714454 1037353444 /nfs/dbraw/zinc/35/34/44/1037353444.db2.gz AKQVUIKPPCLZNA-IBGZPJMESA-N 2 2 335.495 4.476 20 0 EIADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488417172 1037573678 /nfs/dbraw/zinc/57/36/78/1037573678.db2.gz VWMYUYGFKNKXCK-DYESRHJHSA-N 2 2 331.463 4.344 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CS[C@H](C(C)C)C2)c(C)c1 ZINC000488450385 1037602954 /nfs/dbraw/zinc/60/29/54/1037602954.db2.gz SDOYSKUFDZNQOL-IHPCNDPISA-N 2 2 343.540 4.361 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC000573892740 1037715528 /nfs/dbraw/zinc/71/55/28/1037715528.db2.gz IYJVDFIXAXELIV-HFSMHLIXSA-N 2 2 336.479 4.071 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC000573892740 1037715543 /nfs/dbraw/zinc/71/55/43/1037715543.db2.gz IYJVDFIXAXELIV-HFSMHLIXSA-N 2 2 336.479 4.071 20 0 EIADLP CC1(C)CC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC(C)(C)[NH2+]1 ZINC000503582099 1037820933 /nfs/dbraw/zinc/82/09/33/1037820933.db2.gz VOYUNRDGRKUPPL-UHFFFAOYSA-N 2 2 328.456 4.471 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422743172 1037822092 /nfs/dbraw/zinc/82/20/92/1037822092.db2.gz RAEQHQRRCWZGKK-HSMVNMDESA-N 2 2 333.476 4.049 20 0 EIADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000422837715 1037844058 /nfs/dbraw/zinc/84/40/58/1037844058.db2.gz VHDWMWPRGNODSU-ULQDDVLXSA-N 2 2 332.394 4.474 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422890617 1037855486 /nfs/dbraw/zinc/85/54/86/1037855486.db2.gz SQJHKMWJXZKWNI-CKEIUWERSA-N 2 2 329.513 4.218 20 0 EIADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(O[C@H](C)CC(C)C)c1 ZINC000422872856 1037858409 /nfs/dbraw/zinc/85/84/09/1037858409.db2.gz IWDHQQBVGGVPJM-SJORKVTESA-N 2 2 341.499 4.467 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422872594 1037859248 /nfs/dbraw/zinc/85/92/48/1037859248.db2.gz HSHQRHKHIGOWNN-LEWJYISDSA-N 2 2 346.478 4.230 20 0 EIADLP c1c2ccccc2oc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422926715 1037870815 /nfs/dbraw/zinc/87/08/15/1037870815.db2.gz DPSXOZBRCFURAP-JVXMTQNBSA-N 2 2 332.447 4.395 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000414720438 1038025743 /nfs/dbraw/zinc/02/57/43/1038025743.db2.gz YLNORVJDASSVMP-LJQANCHMSA-N 2 2 343.902 4.188 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000414720438 1038025759 /nfs/dbraw/zinc/02/57/59/1038025759.db2.gz YLNORVJDASSVMP-LJQANCHMSA-N 2 2 343.902 4.188 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC([NH+](C)C)CC1 ZINC000503941827 1038028563 /nfs/dbraw/zinc/02/85/63/1038028563.db2.gz NUQKWIVKTMYVGQ-OWBHPGMISA-N 2 2 326.406 4.135 20 0 EIADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423197990 1038049257 /nfs/dbraw/zinc/04/92/57/1038049257.db2.gz CKVVVRLQSUKIAX-QGZVFWFLSA-N 2 2 340.364 4.133 20 0 EIADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC000423235555 1038052710 /nfs/dbraw/zinc/05/27/10/1038052710.db2.gz GMBGKGFMNIGAEL-ROUUACIJSA-N 2 2 349.503 4.477 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000423240581 1038059288 /nfs/dbraw/zinc/05/92/88/1038059288.db2.gz KRPNLMFZVIOGMF-KXBFYZLASA-N 2 2 342.483 4.178 20 0 EIADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000489630572 1038178361 /nfs/dbraw/zinc/17/83/61/1038178361.db2.gz LZXNVMCAAYJTPA-IBGZPJMESA-N 2 2 341.499 4.383 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423385194 1038194881 /nfs/dbraw/zinc/19/48/81/1038194881.db2.gz GMSWBYPAEPORSE-VMDGZTHMSA-N 2 2 332.850 4.156 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000423504480 1038257301 /nfs/dbraw/zinc/25/73/01/1038257301.db2.gz GPUJBKNZJHHKEV-MQNAVGNWSA-N 2 2 343.474 4.155 20 0 EIADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000490168742 1038367152 /nfs/dbraw/zinc/36/71/52/1038367152.db2.gz ZDVKTVFJWGXNBS-IBGZPJMESA-N 2 2 343.833 4.363 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000173490682 1038375187 /nfs/dbraw/zinc/37/51/87/1038375187.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000173490682 1038375202 /nfs/dbraw/zinc/37/52/02/1038375202.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490682 1038375219 /nfs/dbraw/zinc/37/52/19/1038375219.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490682 1038375235 /nfs/dbraw/zinc/37/52/35/1038375235.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP CC(C)Oc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608076347 1038499610 /nfs/dbraw/zinc/49/96/10/1038499610.db2.gz ZJNZEFHJHKZPIR-NRFANRHFSA-N 2 2 349.478 4.281 20 0 EIADLP CC(C)(C)CCOc1cnccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000490397612 1038611430 /nfs/dbraw/zinc/61/14/30/1038611430.db2.gz IKHHODCGDGUCMR-UHFFFAOYSA-N 2 2 347.547 4.249 20 0 EIADLP Cc1cc(F)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000424138679 1038635142 /nfs/dbraw/zinc/63/51/42/1038635142.db2.gz UKGGWZQCMPEWAM-UHFFFAOYSA-N 2 2 330.422 4.159 20 0 EIADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@@H]1[NH3+] ZINC000647934887 1038700469 /nfs/dbraw/zinc/70/04/69/1038700469.db2.gz TUZVKRVANMIQEJ-DOMZBBRYSA-N 2 2 335.904 4.023 20 0 EIADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@@H]1[NH3+] ZINC000647934887 1038700501 /nfs/dbraw/zinc/70/05/01/1038700501.db2.gz TUZVKRVANMIQEJ-DOMZBBRYSA-N 2 2 335.904 4.023 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000424257006 1038758543 /nfs/dbraw/zinc/75/85/43/1038758543.db2.gz AWPOSJRWNUWOHD-CQSZACIVSA-N 2 2 345.874 4.063 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000480745737 1038782963 /nfs/dbraw/zinc/78/29/63/1038782963.db2.gz DGRVUZKUAOBCRG-KBPBESRZSA-N 2 2 345.393 4.377 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000480791212 1038811576 /nfs/dbraw/zinc/81/15/76/1038811576.db2.gz RCTSHPDFMVNUOO-SFHVURJKSA-N 2 2 333.479 4.387 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000534063862 1039061306 /nfs/dbraw/zinc/06/13/06/1039061306.db2.gz QJYMXHDVLDGUDI-NBYUQASBSA-N 2 2 342.527 4.053 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2Br)C1 ZINC000478036900 1039341075 /nfs/dbraw/zinc/34/10/75/1039341075.db2.gz WHUFFSGJZUONKS-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2Br)C1 ZINC000478036900 1039341091 /nfs/dbraw/zinc/34/10/91/1039341091.db2.gz WHUFFSGJZUONKS-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000478036900 1039341098 /nfs/dbraw/zinc/34/10/98/1039341098.db2.gz WHUFFSGJZUONKS-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000478036900 1039341121 /nfs/dbraw/zinc/34/11/21/1039341121.db2.gz WHUFFSGJZUONKS-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP c1ccc(C2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000121351962 1039367353 /nfs/dbraw/zinc/36/73/53/1039367353.db2.gz GHJHBNSEUQDZQO-UHFFFAOYSA-N 2 2 335.495 4.366 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CCC2 ZINC000534862733 1039829622 /nfs/dbraw/zinc/82/96/22/1039829622.db2.gz OOXHDTNXYNFGON-IBGZPJMESA-N 2 2 325.431 4.175 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000434760095 1039860358 /nfs/dbraw/zinc/86/03/58/1039860358.db2.gz YAGJDADQRXOQKK-WSTZPKSXSA-N 2 2 344.543 4.301 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1C(C)(C)C ZINC000535088828 1039955832 /nfs/dbraw/zinc/95/58/32/1039955832.db2.gz XMWHMPUKFWWQIN-INIZCTEOSA-N 2 2 325.500 4.410 20 0 EIADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1OC ZINC000482131279 1040039460 /nfs/dbraw/zinc/03/94/60/1040039460.db2.gz XHRWKYSCFUQIPQ-RDJZCZTQSA-N 2 2 341.499 4.245 20 0 EIADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000479358144 1040286350 /nfs/dbraw/zinc/28/63/50/1040286350.db2.gz ZYZCGNWJPBWTNI-IBGZPJMESA-N 2 2 333.426 4.027 20 0 EIADLP Fc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435374221 1040317586 /nfs/dbraw/zinc/31/75/86/1040317586.db2.gz WWGRGVQJJXMDSE-QGZVFWFLSA-N 2 2 347.865 4.018 20 0 EIADLP Fc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000435374221 1040317599 /nfs/dbraw/zinc/31/75/99/1040317599.db2.gz WWGRGVQJJXMDSE-QGZVFWFLSA-N 2 2 347.865 4.018 20 0 EIADLP Clc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cs2)cc1 ZINC000666998095 1040439686 /nfs/dbraw/zinc/43/96/86/1040439686.db2.gz AOJKUXQDSFQNDT-OAHLLOKOSA-N 2 2 347.915 4.228 20 0 EIADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000553737778 1040460938 /nfs/dbraw/zinc/46/09/38/1040460938.db2.gz SXBIHNIRWKJGKG-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP Cc1cc2[nH]c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c(C)c1 ZINC000479555847 1040466075 /nfs/dbraw/zinc/46/60/75/1040466075.db2.gz PKKKZFVCSVEXGO-UHFFFAOYSA-N 2 2 348.425 4.399 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000551779491 1040585127 /nfs/dbraw/zinc/58/51/27/1040585127.db2.gz ZZTNIPARZMTFMI-IKGGRYGDSA-N 2 2 349.400 4.143 20 0 EIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000462486751 1040649388 /nfs/dbraw/zinc/64/93/88/1040649388.db2.gz RKYRBEYZKMVGIX-KRWDZBQOSA-N 2 2 332.451 4.185 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924728380 1040680595 /nfs/dbraw/zinc/68/05/95/1040680595.db2.gz FKIWJNJRJZVMQD-CVEARBPZSA-N 2 2 332.879 4.013 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)F)cc1 ZINC000483122542 1040713926 /nfs/dbraw/zinc/71/39/26/1040713926.db2.gz SLTIPJUWYHLDKI-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483131890 1040723365 /nfs/dbraw/zinc/72/33/65/1040723365.db2.gz SNATVOMVGDJVFR-QGZVFWFLSA-N 2 2 335.451 4.381 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818833 1040812634 /nfs/dbraw/zinc/81/26/34/1040812634.db2.gz BALHBGYCQXLVHN-ZIAGYGMSSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818833 1040812647 /nfs/dbraw/zinc/81/26/47/1040812647.db2.gz BALHBGYCQXLVHN-ZIAGYGMSSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818833 1040812652 /nfs/dbraw/zinc/81/26/52/1040812652.db2.gz BALHBGYCQXLVHN-ZIAGYGMSSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818833 1040812660 /nfs/dbraw/zinc/81/26/60/1040812660.db2.gz BALHBGYCQXLVHN-ZIAGYGMSSA-N 2 2 335.542 4.176 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850501 1040840037 /nfs/dbraw/zinc/84/00/37/1040840037.db2.gz MUAAZTHMRRQRNE-OAHLLOKOSA-N 2 2 347.553 4.035 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850501 1040840041 /nfs/dbraw/zinc/84/00/41/1040840041.db2.gz MUAAZTHMRRQRNE-OAHLLOKOSA-N 2 2 347.553 4.035 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850501 1040840043 /nfs/dbraw/zinc/84/00/43/1040840043.db2.gz MUAAZTHMRRQRNE-OAHLLOKOSA-N 2 2 347.553 4.035 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850501 1040840047 /nfs/dbraw/zinc/84/00/47/1040840047.db2.gz MUAAZTHMRRQRNE-OAHLLOKOSA-N 2 2 347.553 4.035 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1)CCC2 ZINC000483444491 1040860863 /nfs/dbraw/zinc/86/08/63/1040860863.db2.gz FTLSARLIGQGWIN-IEBWSBKVSA-N 2 2 341.499 4.455 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)c(OCCC)c1 ZINC000480021875 1040867844 /nfs/dbraw/zinc/86/78/44/1040867844.db2.gz OGGQNBLUMTVOTH-KRWDZBQOSA-N 2 2 348.531 4.399 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000462783367 1040923005 /nfs/dbraw/zinc/92/30/05/1040923005.db2.gz NJYQBCKCGJKAQU-FNAHDJPLSA-N 2 2 344.543 4.254 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089329 1040927678 /nfs/dbraw/zinc/92/76/78/1040927678.db2.gz HFZBJLNIILNJHZ-UKRRQHHQSA-N 2 2 328.472 4.179 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000480082864 1040939416 /nfs/dbraw/zinc/93/94/16/1040939416.db2.gz GTIQOVXBTMSKJN-FUHWJXTLSA-N 2 2 334.504 4.009 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000480082864 1040939433 /nfs/dbraw/zinc/93/94/33/1040939433.db2.gz GTIQOVXBTMSKJN-FUHWJXTLSA-N 2 2 334.504 4.009 20 0 EIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000462802107 1040968622 /nfs/dbraw/zinc/96/86/22/1040968622.db2.gz LYSUGDCBKBKECE-CVEARBPZSA-N 2 2 336.483 4.025 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000554317858 1040981098 /nfs/dbraw/zinc/98/10/98/1040981098.db2.gz LTVNJNOASMAPJL-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000554317858 1040981114 /nfs/dbraw/zinc/98/11/14/1040981114.db2.gz LTVNJNOASMAPJL-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317858 1040981137 /nfs/dbraw/zinc/98/11/37/1040981137.db2.gz LTVNJNOASMAPJL-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317858 1040981160 /nfs/dbraw/zinc/98/11/60/1040981160.db2.gz LTVNJNOASMAPJL-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000554317861 1040982019 /nfs/dbraw/zinc/98/20/19/1040982019.db2.gz LTVNJNOASMAPJL-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000554317861 1040982031 /nfs/dbraw/zinc/98/20/31/1040982031.db2.gz LTVNJNOASMAPJL-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317861 1040982059 /nfs/dbraw/zinc/98/20/59/1040982059.db2.gz LTVNJNOASMAPJL-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cn2)CC[NH+]1Cc1ccccc1 ZINC000554317861 1040982080 /nfs/dbraw/zinc/98/20/80/1040982080.db2.gz LTVNJNOASMAPJL-UZLBHIALSA-N 2 2 343.902 4.220 20 0 EIADLP Clc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000538063623 1041035188 /nfs/dbraw/zinc/03/51/88/1041035188.db2.gz VZRKITNIAITDMW-IBGZPJMESA-N 2 2 329.875 4.156 20 0 EIADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1sccc1Br ZINC000515731047 1041040014 /nfs/dbraw/zinc/04/00/14/1041040014.db2.gz KTFFYKNTCMBVJX-GFCCVEGCSA-N 2 2 345.350 4.283 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000538100914 1041040533 /nfs/dbraw/zinc/04/05/33/1041040533.db2.gz LBDLCJJAHCGXKI-OAQYLSRUSA-N 2 2 333.435 4.122 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000436271041 1041042033 /nfs/dbraw/zinc/04/20/33/1041042033.db2.gz CHAZDNTVIFBZHI-XZOQPEGZSA-N 2 2 345.490 4.432 20 0 EIADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000436303955 1041074095 /nfs/dbraw/zinc/07/40/95/1041074095.db2.gz CZIDNYWTMRGWTO-WOJBJXKFSA-N 2 2 345.531 4.014 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000484494388 1041300177 /nfs/dbraw/zinc/30/01/77/1041300177.db2.gz VXVXPKYDOSFCQZ-ZWOKBUDYSA-N 2 2 326.484 4.403 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000484494388 1041300184 /nfs/dbraw/zinc/30/01/84/1041300184.db2.gz VXVXPKYDOSFCQZ-ZWOKBUDYSA-N 2 2 326.484 4.403 20 0 EIADLP c1cn(CCCC2CC[NH+](CCCCOc3ccccc3)CC2)c[nH+]1 ZINC000554678829 1041330143 /nfs/dbraw/zinc/33/01/43/1041330143.db2.gz NPVWEQZIHXGKFZ-UHFFFAOYSA-N 2 2 341.499 4.235 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)CCCC2 ZINC000156236786 1041364417 /nfs/dbraw/zinc/36/44/17/1041364417.db2.gz FNDDWDRBQAPZQP-HNNXBMFYSA-N 2 2 341.524 4.342 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480555909 1041384319 /nfs/dbraw/zinc/38/43/19/1041384319.db2.gz ONABTULEVXAFHM-SFHVURJKSA-N 2 2 333.479 4.387 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000480604400 1041429670 /nfs/dbraw/zinc/42/96/70/1041429670.db2.gz BFFUWFVSBCMDRW-WDSOQIARSA-N 2 2 346.515 4.152 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000480604400 1041429678 /nfs/dbraw/zinc/42/96/78/1041429678.db2.gz BFFUWFVSBCMDRW-WDSOQIARSA-N 2 2 346.515 4.152 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461402634 1041429997 /nfs/dbraw/zinc/42/99/97/1041429997.db2.gz NLEUCMTVSBESQG-UHFFFAOYSA-N 2 2 348.849 4.455 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000480666393 1041460139 /nfs/dbraw/zinc/46/01/39/1041460139.db2.gz DWTMGTNLOBNSAT-GCJKJVERSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000480666393 1041460142 /nfs/dbraw/zinc/46/01/42/1041460142.db2.gz DWTMGTNLOBNSAT-GCJKJVERSA-N 2 2 337.511 4.205 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000463278910 1041469947 /nfs/dbraw/zinc/46/99/47/1041469947.db2.gz DYQFHZBWTFYSAW-INIZCTEOSA-N 2 2 344.449 4.323 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692196 1041476245 /nfs/dbraw/zinc/47/62/45/1041476245.db2.gz HKZIRYLZQHXVRK-NQIIRXRSSA-N 2 2 341.543 4.408 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692196 1041476250 /nfs/dbraw/zinc/47/62/50/1041476250.db2.gz HKZIRYLZQHXVRK-NQIIRXRSSA-N 2 2 341.543 4.408 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720624 1041489787 /nfs/dbraw/zinc/48/97/87/1041489787.db2.gz KGRLRRNMUNPKET-WBMJQRKESA-N 2 2 332.385 4.007 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720624 1041489792 /nfs/dbraw/zinc/48/97/92/1041489792.db2.gz KGRLRRNMUNPKET-WBMJQRKESA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720624 1041489797 /nfs/dbraw/zinc/48/97/97/1041489797.db2.gz KGRLRRNMUNPKET-WBMJQRKESA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720624 1041489800 /nfs/dbraw/zinc/48/98/00/1041489800.db2.gz KGRLRRNMUNPKET-WBMJQRKESA-N 2 2 332.385 4.007 20 0 EIADLP CCOc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538734087 1041503337 /nfs/dbraw/zinc/50/33/37/1041503337.db2.gz XUNHWPRGBXSXFY-FQEVSTJZSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538734087 1041503351 /nfs/dbraw/zinc/50/33/51/1041503351.db2.gz XUNHWPRGBXSXFY-FQEVSTJZSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538734087 1041503364 /nfs/dbraw/zinc/50/33/64/1041503364.db2.gz XUNHWPRGBXSXFY-FQEVSTJZSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538734087 1041503380 /nfs/dbraw/zinc/50/33/80/1041503380.db2.gz XUNHWPRGBXSXFY-FQEVSTJZSA-N 2 2 338.495 4.039 20 0 EIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000437096524 1041642355 /nfs/dbraw/zinc/64/23/55/1041642355.db2.gz MLGOGRMVKSQVIS-CDHQVMDDSA-N 2 2 346.490 4.282 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915755 1041737275 /nfs/dbraw/zinc/73/72/75/1041737275.db2.gz UBRWYNGRVXGNLN-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915755 1041737280 /nfs/dbraw/zinc/73/72/80/1041737280.db2.gz UBRWYNGRVXGNLN-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464090799 1041865997 /nfs/dbraw/zinc/86/59/97/1041865997.db2.gz OWSHGZBBDHJAGO-UXHICEINSA-N 2 2 344.543 4.048 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1sccc1Br)[NH+]1CCCCC1 ZINC000541557547 1042012695 /nfs/dbraw/zinc/01/26/95/1042012695.db2.gz PDYPPDIQRGEEHE-CHWSQXEVSA-N 2 2 345.350 4.426 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000464775443 1042158747 /nfs/dbraw/zinc/15/87/47/1042158747.db2.gz JHSOPFJUOVMLJO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000464775443 1042158753 /nfs/dbraw/zinc/15/87/53/1042158753.db2.gz JHSOPFJUOVMLJO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CC[N@H+](CCCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464800593 1042167433 /nfs/dbraw/zinc/16/74/33/1042167433.db2.gz ABZOJWQICRRFQS-UHFFFAOYSA-N 2 2 337.511 4.253 20 0 EIADLP CC[N@@H+](CCCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464800593 1042167437 /nfs/dbraw/zinc/16/74/37/1042167437.db2.gz ABZOJWQICRRFQS-UHFFFAOYSA-N 2 2 337.511 4.253 20 0 EIADLP CC[N@@H+](Cc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803766 1042167989 /nfs/dbraw/zinc/16/79/89/1042167989.db2.gz AINAPOSFTJKGGH-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP CC[N@H+](Cc1cc(C)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803766 1042167992 /nfs/dbraw/zinc/16/79/92/1042167992.db2.gz AINAPOSFTJKGGH-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP C[C@@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876464 1042216334 /nfs/dbraw/zinc/21/63/34/1042216334.db2.gz GKLPGVYXVSXKMZ-UXHICEINSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876464 1042216339 /nfs/dbraw/zinc/21/63/39/1042216339.db2.gz GKLPGVYXVSXKMZ-UXHICEINSA-N 2 2 343.559 4.237 20 0 EIADLP [NH3+]C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000414933222 1042220784 /nfs/dbraw/zinc/22/07/84/1042220784.db2.gz DIRLCEDACWMHSG-NRFANRHFSA-N 2 2 338.495 4.169 20 0 EIADLP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000518275751 1042448180 /nfs/dbraw/zinc/44/81/80/1042448180.db2.gz RGFCYLPRTBLWMQ-GOSISDBHSA-N 2 2 335.451 4.046 20 0 EIADLP Cc1ccc(C(C)(C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000426315261 1042551772 /nfs/dbraw/zinc/55/17/72/1042551772.db2.gz URONIWPGLOOBSL-UHFFFAOYSA-N 2 2 337.511 4.235 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000426330906 1042567770 /nfs/dbraw/zinc/56/77/70/1042567770.db2.gz OSRQVBYQPFXBIY-MAUKXSAKSA-N 2 2 333.520 4.068 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000494100013 1043013298 /nfs/dbraw/zinc/01/32/98/1043013298.db2.gz UZLDGHOJSLSMDK-KDOFPFPSSA-N 2 2 349.569 4.330 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000494100013 1043013306 /nfs/dbraw/zinc/01/33/06/1043013306.db2.gz UZLDGHOJSLSMDK-KDOFPFPSSA-N 2 2 349.569 4.330 20 0 EIADLP CC(C)(C)c1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895110864 1043021351 /nfs/dbraw/zinc/02/13/51/1043021351.db2.gz ASGGUKXTXJLIFZ-KOMQPUFPSA-N 2 2 344.528 4.112 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008711 1043076695 /nfs/dbraw/zinc/07/66/95/1043076695.db2.gz FVQUSOPOXFIIHG-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008711 1043076712 /nfs/dbraw/zinc/07/67/12/1043076712.db2.gz FVQUSOPOXFIIHG-JTJHWIPRSA-N 2 2 337.511 4.482 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008704 1043077662 /nfs/dbraw/zinc/07/76/62/1043077662.db2.gz FVQUSOPOXFIIHG-FHWLQOOXSA-N 2 2 337.511 4.482 20 0 EIADLP c1cn(Cc2ccc(-c3ccccc3C[C@@H]3CCCC[NH2+]3)cc2)c[nH+]1 ZINC000665211901 1043097771 /nfs/dbraw/zinc/09/77/71/1043097771.db2.gz JQJBUOCIGYGWPT-NRFANRHFSA-N 2 2 331.463 4.283 20 0 EIADLP CCSc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000185463457 1043186633 /nfs/dbraw/zinc/18/66/33/1043186633.db2.gz MSXFGLXLHZLWDJ-UHFFFAOYSA-N 2 2 337.492 4.333 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427840571 1043222847 /nfs/dbraw/zinc/22/28/47/1043222847.db2.gz GTQBTCPDWSGDJR-WBVHZDCISA-N 2 2 328.422 4.362 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427840571 1043222854 /nfs/dbraw/zinc/22/28/54/1043222854.db2.gz GTQBTCPDWSGDJR-WBVHZDCISA-N 2 2 328.422 4.362 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000427844368 1043224934 /nfs/dbraw/zinc/22/49/34/1043224934.db2.gz CHIRQUGYECVTSL-GHTZIAJQSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000427844368 1043224941 /nfs/dbraw/zinc/22/49/41/1043224941.db2.gz CHIRQUGYECVTSL-GHTZIAJQSA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876661 1043235652 /nfs/dbraw/zinc/23/56/52/1043235652.db2.gz MGMROPZFBATHSG-WBVHZDCISA-N 2 2 337.389 4.204 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(ccc3ccccc23)o1 ZINC000427884391 1043248496 /nfs/dbraw/zinc/24/84/96/1043248496.db2.gz FYGKKJHYGPAQMQ-ZBFHGGJFSA-N 2 2 331.419 4.448 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884810 1043249493 /nfs/dbraw/zinc/24/94/93/1043249493.db2.gz HGQPITDTQCEOKE-QUCCMNQESA-N 2 2 337.854 4.231 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887240 1043250505 /nfs/dbraw/zinc/25/05/05/1043250505.db2.gz SCTJPLRFZJDWJK-LSDHHAIUSA-N 2 2 338.282 4.116 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000766188766 1043251277 /nfs/dbraw/zinc/25/12/77/1043251277.db2.gz ADELEDNCGIFMPY-SFHVURJKSA-N 2 2 337.511 4.381 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000427889401 1043252393 /nfs/dbraw/zinc/25/23/93/1043252393.db2.gz GSEJOYDFIWIBQE-BBRMVZONSA-N 2 2 341.455 4.416 20 0 EIADLP C[C@@H](CCC1CC1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000186349475 1043270304 /nfs/dbraw/zinc/27/03/04/1043270304.db2.gz BOFXDBOMEXMKHV-ROUUACIJSA-N 2 2 330.516 4.055 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000165985248 1043411320 /nfs/dbraw/zinc/41/13/20/1043411320.db2.gz IUGVXLXLOZMACR-AEFFLSMTSA-N 2 2 332.513 4.108 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000165985248 1043411326 /nfs/dbraw/zinc/41/13/26/1043411326.db2.gz IUGVXLXLOZMACR-AEFFLSMTSA-N 2 2 332.513 4.108 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CC(OC(C)(C)C)C2)c(C)c1 ZINC000494524652 1043550670 /nfs/dbraw/zinc/55/06/70/1043550670.db2.gz WUNVPWIUFSKDSL-AFMYVXGZSA-N 2 2 341.499 4.177 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000521172878 1043608909 /nfs/dbraw/zinc/60/89/09/1043608909.db2.gz JPGZGEGHOIWJHG-IBGZPJMESA-N 2 2 349.478 4.073 20 0 EIADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cn1 ZINC001168013739 1043666600 /nfs/dbraw/zinc/66/66/00/1043666600.db2.gz IYTDXOCYFHABTD-ZACQAIPSSA-N 2 2 341.474 4.313 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000428254404 1043739309 /nfs/dbraw/zinc/73/93/09/1043739309.db2.gz UTWDIYHIDUPZIW-SFHVURJKSA-N 2 2 333.520 4.194 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000428254404 1043739320 /nfs/dbraw/zinc/73/93/20/1043739320.db2.gz UTWDIYHIDUPZIW-SFHVURJKSA-N 2 2 333.520 4.194 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000442633449 1043771994 /nfs/dbraw/zinc/77/19/94/1043771994.db2.gz JISQLTRJJBHLCN-RDJZCZTQSA-N 2 2 326.406 4.027 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1ccccc1 ZINC000474037132 1043812842 /nfs/dbraw/zinc/81/28/42/1043812842.db2.gz SPOHVQOQSLXWOW-GXRSIYKFSA-N 2 2 344.543 4.254 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442777034 1043830771 /nfs/dbraw/zinc/83/07/71/1043830771.db2.gz FMLHARASEHPQTM-AEFFLSMTSA-N 2 2 347.506 4.354 20 0 EIADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000191814613 1043849501 /nfs/dbraw/zinc/84/95/01/1043849501.db2.gz IMZMBZPGHCZOHI-CYBMUJFWSA-N 2 2 349.466 4.073 20 0 EIADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000191814613 1043849502 /nfs/dbraw/zinc/84/95/02/1043849502.db2.gz IMZMBZPGHCZOHI-CYBMUJFWSA-N 2 2 349.466 4.073 20 0 EIADLP C[C@@H]1CC([NH2+][C@H]2CCc3cccnc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014476 1043860132 /nfs/dbraw/zinc/86/01/32/1043860132.db2.gz LLTMUZOALPUHBJ-LZJOCLMNSA-N 2 2 335.495 4.100 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014472 1043863199 /nfs/dbraw/zinc/86/31/99/1043863199.db2.gz LLTMUZOALPUHBJ-HRQSHJORSA-N 2 2 335.495 4.100 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014472 1043863202 /nfs/dbraw/zinc/86/32/02/1043863202.db2.gz LLTMUZOALPUHBJ-HRQSHJORSA-N 2 2 335.495 4.100 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(O)c2)c(C)c1 ZINC000442869508 1043870063 /nfs/dbraw/zinc/87/00/63/1043870063.db2.gz BKONAGMWZZFCMP-LAUBAEHRSA-N 2 2 335.451 4.298 20 0 EIADLP C[C@H](CCc1ccsc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195840 1044015827 /nfs/dbraw/zinc/01/58/27/1044015827.db2.gz WYVNMMYRTIBSPQ-VQIMIIECSA-N 2 2 339.508 4.376 20 0 EIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000193275993 1044033649 /nfs/dbraw/zinc/03/36/49/1044033649.db2.gz ANPVCJBAPIHLOF-LJQANCHMSA-N 2 2 341.842 4.003 20 0 EIADLP c1ccc2sc([C@@H]3CCC[N@H+]3CCC[NH+]3CCCCC3)nc2c1 ZINC000193464761 1044061156 /nfs/dbraw/zinc/06/11/56/1044061156.db2.gz DTZHMHZQQFDFKZ-KRWDZBQOSA-N 2 2 329.513 4.309 20 0 EIADLP c1ccc2sc([C@@H]3CCC[N@@H+]3CCC[NH+]3CCCCC3)nc2c1 ZINC000193464761 1044061169 /nfs/dbraw/zinc/06/11/69/1044061169.db2.gz DTZHMHZQQFDFKZ-KRWDZBQOSA-N 2 2 329.513 4.309 20 0 EIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000443191522 1044078105 /nfs/dbraw/zinc/07/81/05/1044078105.db2.gz GNEHNCDPBMYALT-KNBMTAEXSA-N 2 2 346.490 4.282 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000521944806 1044097347 /nfs/dbraw/zinc/09/73/47/1044097347.db2.gz QHHISVNVKOKLTE-LBPRGKRZSA-N 2 2 335.904 4.211 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CC2 ZINC000766191267 1044394722 /nfs/dbraw/zinc/39/47/22/1044394722.db2.gz METOSOKTHJNZEO-QHCPKHFHSA-N 2 2 349.522 4.307 20 0 EIADLP Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191193 1044398418 /nfs/dbraw/zinc/39/84/18/1044398418.db2.gz LBICNKRNNCQOPE-QHCPKHFHSA-N 2 2 349.522 4.307 20 0 EIADLP FC(F)(F)C1CCC(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000466457089 1044528483 /nfs/dbraw/zinc/52/84/83/1044528483.db2.gz IURYNNXVEBZCMF-UHFFFAOYSA-N 2 2 337.389 4.331 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675921043 1044562754 /nfs/dbraw/zinc/56/27/54/1044562754.db2.gz LIVVPPJKNKOFCC-RDJZCZTQSA-N 2 2 325.481 4.425 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000675921486 1044564151 /nfs/dbraw/zinc/56/41/51/1044564151.db2.gz LSVWLIJEFLAVRD-KKSFZXQISA-N 2 2 347.462 4.085 20 0 EIADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923543 1044564525 /nfs/dbraw/zinc/56/45/25/1044564525.db2.gz SRROLOHWWASWTQ-NHCUHLMSSA-N 2 2 333.479 4.315 20 0 EIADLP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000543426839 1044576769 /nfs/dbraw/zinc/57/67/69/1044576769.db2.gz LREKCZBLCYGQKM-ZDUSSCGKSA-N 2 2 345.368 4.183 20 0 EIADLP C[C@H](Cc1cccc(F)c1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001168477440 1044615342 /nfs/dbraw/zinc/61/53/42/1044615342.db2.gz BYWRAVIPFMDUAG-GOSISDBHSA-N 2 2 340.486 4.353 20 0 EIADLP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001168477440 1044615365 /nfs/dbraw/zinc/61/53/65/1044615365.db2.gz BYWRAVIPFMDUAG-GOSISDBHSA-N 2 2 340.486 4.353 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2ccncc2Cl)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024454 1044617964 /nfs/dbraw/zinc/61/79/64/1044617964.db2.gz GUTXIHHPYHBQRA-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000191498738 1044644361 /nfs/dbraw/zinc/64/43/61/1044644361.db2.gz PXSVAABRTWMFRC-UHFFFAOYSA-N 2 2 338.455 4.013 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000191498738 1044644378 /nfs/dbraw/zinc/64/43/78/1044644378.db2.gz PXSVAABRTWMFRC-UHFFFAOYSA-N 2 2 338.455 4.013 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000895554286 1044808818 /nfs/dbraw/zinc/80/88/18/1044808818.db2.gz UZEPMQXVUCGQKH-UHFFFAOYSA-N 2 2 327.472 4.058 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000676644496 1044812756 /nfs/dbraw/zinc/81/27/56/1044812756.db2.gz VUKHXICGCBBJJR-XJDXJNMNSA-N 2 2 335.426 4.146 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105214 1044848944 /nfs/dbraw/zinc/84/89/44/1044848944.db2.gz VTRBHASTIXXGRO-RDJZCZTQSA-N 2 2 336.439 4.016 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105214 1044848946 /nfs/dbraw/zinc/84/89/46/1044848946.db2.gz VTRBHASTIXXGRO-RDJZCZTQSA-N 2 2 336.439 4.016 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000508990315 1044877246 /nfs/dbraw/zinc/87/72/46/1044877246.db2.gz JHYZNPIETOEZQJ-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000508990315 1044877247 /nfs/dbraw/zinc/87/72/47/1044877247.db2.gz JHYZNPIETOEZQJ-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508990315 1044877250 /nfs/dbraw/zinc/87/72/50/1044877250.db2.gz JHYZNPIETOEZQJ-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508990315 1044877254 /nfs/dbraw/zinc/87/72/54/1044877254.db2.gz JHYZNPIETOEZQJ-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766216642 1044918708 /nfs/dbraw/zinc/91/87/08/1044918708.db2.gz QIFRNMNKEDZGCW-DYESRHJHSA-N 2 2 326.459 4.134 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766216642 1044918725 /nfs/dbraw/zinc/91/87/25/1044918725.db2.gz QIFRNMNKEDZGCW-DYESRHJHSA-N 2 2 326.459 4.134 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000895863191 1044930440 /nfs/dbraw/zinc/93/04/40/1044930440.db2.gz HOJKUAMJFNXOKJ-UHFFFAOYSA-N 2 2 340.393 4.157 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000474467233 1045018719 /nfs/dbraw/zinc/01/87/19/1045018719.db2.gz BDSIKPAVEHNVME-JOCHJYFZSA-N 2 2 333.479 4.461 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777724 1045106970 /nfs/dbraw/zinc/10/69/70/1045106970.db2.gz JDQVHASJEZGXAN-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777724 1045106981 /nfs/dbraw/zinc/10/69/81/1045106981.db2.gz JDQVHASJEZGXAN-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777724 1045106995 /nfs/dbraw/zinc/10/69/95/1045106995.db2.gz JDQVHASJEZGXAN-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000347777724 1045107012 /nfs/dbraw/zinc/10/70/12/1045107012.db2.gz JDQVHASJEZGXAN-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431040 1045131888 /nfs/dbraw/zinc/13/18/88/1045131888.db2.gz MLPQBICDFGCODU-CTNGQTDRSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431040 1045131892 /nfs/dbraw/zinc/13/18/92/1045131892.db2.gz MLPQBICDFGCODU-CTNGQTDRSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431043 1045132250 /nfs/dbraw/zinc/13/22/50/1045132250.db2.gz MLPQBICDFGCODU-TZIWHRDSSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431043 1045132253 /nfs/dbraw/zinc/13/22/53/1045132253.db2.gz MLPQBICDFGCODU-TZIWHRDSSA-N 2 2 330.516 4.002 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551174811 1045210490 /nfs/dbraw/zinc/21/04/90/1045210490.db2.gz FHUICHSOBNISOS-NRSPTQNISA-N 2 2 336.479 4.244 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551174811 1045210499 /nfs/dbraw/zinc/21/04/99/1045210499.db2.gz FHUICHSOBNISOS-NRSPTQNISA-N 2 2 336.479 4.244 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000550796999 1045210545 /nfs/dbraw/zinc/21/05/45/1045210545.db2.gz IVZANWZBRQSDOL-NSISKUIASA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000550796999 1045210552 /nfs/dbraw/zinc/21/05/52/1045210552.db2.gz IVZANWZBRQSDOL-NSISKUIASA-N 2 2 340.442 4.074 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000487304839 1045225702 /nfs/dbraw/zinc/22/57/02/1045225702.db2.gz AXWOOCZIDYKDKT-CRAIPNDOSA-N 2 2 341.524 4.163 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000487304839 1045225711 /nfs/dbraw/zinc/22/57/11/1045225711.db2.gz AXWOOCZIDYKDKT-CRAIPNDOSA-N 2 2 341.524 4.163 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311420 1045226915 /nfs/dbraw/zinc/22/69/15/1045226915.db2.gz SLKXUAAAUUIZAT-YJBOKZPZSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000487311420 1045226920 /nfs/dbraw/zinc/22/69/20/1045226920.db2.gz SLKXUAAAUUIZAT-YJBOKZPZSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000611367597 1045288687 /nfs/dbraw/zinc/28/86/87/1045288687.db2.gz LPVOHNQZPCHEFQ-INIZCTEOSA-N 2 2 343.471 4.035 20 0 EIADLP c1ccc(C[NH+](CCC[NH2+]Cc2ccccn2)Cc2ccccc2)cc1 ZINC000236716667 1045365415 /nfs/dbraw/zinc/36/54/15/1045365415.db2.gz JQCTYPWSOQKDFI-UHFFFAOYSA-N 2 2 345.490 4.264 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000237438788 1045385388 /nfs/dbraw/zinc/38/53/88/1045385388.db2.gz AYSHNYURUBLETF-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP c1cn(CCCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000533579857 1045602588 /nfs/dbraw/zinc/60/25/88/1045602588.db2.gz ORBXOYWBXQYDKN-IBGZPJMESA-N 2 2 339.483 4.480 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391710 1045660463 /nfs/dbraw/zinc/66/04/63/1045660463.db2.gz LWGNXXYOZFNAIW-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000246832752 1045834011 /nfs/dbraw/zinc/83/40/11/1045834011.db2.gz AMUAHXAEWGNNNS-BZSNNMDCSA-N 2 2 342.483 4.048 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790695 1045854627 /nfs/dbraw/zinc/85/46/27/1045854627.db2.gz ZBHFULFCMBSKOT-SOLBZPMBSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790695 1045854631 /nfs/dbraw/zinc/85/46/31/1045854631.db2.gz ZBHFULFCMBSKOT-SOLBZPMBSA-N 2 2 336.439 4.182 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000249181995 1045895161 /nfs/dbraw/zinc/89/51/61/1045895161.db2.gz IRENOTPKTMAFJV-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc(F)c1 ZINC000249181995 1045895169 /nfs/dbraw/zinc/89/51/69/1045895169.db2.gz IRENOTPKTMAFJV-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001170263215 1045962160 /nfs/dbraw/zinc/96/21/60/1045962160.db2.gz JUWWKHUWCFIIDR-AWEZNQCLSA-N 2 2 325.843 4.466 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469594 1045986813 /nfs/dbraw/zinc/98/68/13/1045986813.db2.gz AYYOBWTXISBHFA-CHWSQXEVSA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469594 1045986876 /nfs/dbraw/zinc/98/68/76/1045986876.db2.gz AYYOBWTXISBHFA-CHWSQXEVSA-N 2 2 332.460 4.040 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469594 1045986837 /nfs/dbraw/zinc/98/68/37/1045986837.db2.gz AYYOBWTXISBHFA-CHWSQXEVSA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469594 1045986857 /nfs/dbraw/zinc/98/68/57/1045986857.db2.gz AYYOBWTXISBHFA-CHWSQXEVSA-N 2 2 332.460 4.040 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000769868929 1046078750 /nfs/dbraw/zinc/07/87/50/1046078750.db2.gz AZIISKXPGCQTAZ-OAHLLOKOSA-N 2 2 333.520 4.241 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n2c1CCCC2 ZINC000282056805 1046311167 /nfs/dbraw/zinc/31/11/67/1046311167.db2.gz MKSIKKMGWSEECL-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n2c1CCCC2 ZINC000282056805 1046311186 /nfs/dbraw/zinc/31/11/86/1046311186.db2.gz MKSIKKMGWSEECL-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661073 1046628632 /nfs/dbraw/zinc/62/86/32/1046628632.db2.gz WSLWEHBOAXVMTF-FCHUYYIVSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661073 1046628650 /nfs/dbraw/zinc/62/86/50/1046628650.db2.gz WSLWEHBOAXVMTF-FCHUYYIVSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661074 1046628708 /nfs/dbraw/zinc/62/87/08/1046628708.db2.gz WSLWEHBOAXVMTF-FGZHOGPDSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661074 1046628723 /nfs/dbraw/zinc/62/87/23/1046628723.db2.gz WSLWEHBOAXVMTF-FGZHOGPDSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662083 1046633342 /nfs/dbraw/zinc/63/33/42/1046633342.db2.gz NSCXMZUIAFZNCO-WBVHZDCISA-N 2 2 340.458 4.209 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662083 1046633357 /nfs/dbraw/zinc/63/33/57/1046633357.db2.gz NSCXMZUIAFZNCO-WBVHZDCISA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662083 1046633379 /nfs/dbraw/zinc/63/33/79/1046633379.db2.gz NSCXMZUIAFZNCO-WBVHZDCISA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662083 1046633393 /nfs/dbraw/zinc/63/33/93/1046633393.db2.gz NSCXMZUIAFZNCO-WBVHZDCISA-N 2 2 340.458 4.209 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C)ccc1OC ZINC000772444724 1046638634 /nfs/dbraw/zinc/63/86/34/1046638634.db2.gz MXYLTPAHTVCTGR-PKOBYXMFSA-N 2 2 329.488 4.356 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000127995372 1046747833 /nfs/dbraw/zinc/74/78/33/1046747833.db2.gz FLSVHFKUBLNWNN-UHFFFAOYSA-N 2 2 326.484 4.153 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654511 1046754539 /nfs/dbraw/zinc/75/45/39/1046754539.db2.gz IRNFSEJVLCPBGX-HBFSDRIKSA-N 2 2 338.495 4.399 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654511 1046754553 /nfs/dbraw/zinc/75/45/53/1046754553.db2.gz IRNFSEJVLCPBGX-HBFSDRIKSA-N 2 2 338.495 4.399 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1nc2c(s1)CCC2 ZINC000459644613 1046831945 /nfs/dbraw/zinc/83/19/45/1046831945.db2.gz FHXUXMRUBCVRCB-VKJFTORMSA-N 2 2 347.572 4.326 20 0 EIADLP Fc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000536955828 1046879011 /nfs/dbraw/zinc/87/90/11/1046879011.db2.gz RTSCRYFJCMYWAS-NRFANRHFSA-N 2 2 335.426 4.311 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165187 1046924231 /nfs/dbraw/zinc/92/42/31/1046924231.db2.gz QCGICGZEDVZHTM-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165187 1046924261 /nfs/dbraw/zinc/92/42/61/1046924261.db2.gz QCGICGZEDVZHTM-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165187 1046924218 /nfs/dbraw/zinc/92/42/18/1046924218.db2.gz QCGICGZEDVZHTM-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165187 1046924246 /nfs/dbraw/zinc/92/42/46/1046924246.db2.gz QCGICGZEDVZHTM-JXFKEZNVSA-N 2 2 341.474 4.014 20 0 EIADLP CC(C)CCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001170069077 1046925286 /nfs/dbraw/zinc/92/52/86/1046925286.db2.gz LBSDGGGTVBNELO-CJNGLKHVSA-N 2 2 327.310 4.253 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000537107668 1046959100 /nfs/dbraw/zinc/95/91/00/1046959100.db2.gz KWOMOTRDFONXEY-LJQANCHMSA-N 2 2 325.843 4.110 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556064298 1047430522 /nfs/dbraw/zinc/43/05/22/1047430522.db2.gz WKPYHWVYEBJPMJ-MOPGFXCFSA-N 2 2 344.886 4.274 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556064298 1047430529 /nfs/dbraw/zinc/43/05/29/1047430529.db2.gz WKPYHWVYEBJPMJ-MOPGFXCFSA-N 2 2 344.886 4.274 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cncs1 ZINC000897931039 1047501566 /nfs/dbraw/zinc/50/15/66/1047501566.db2.gz VABOCWNQNJKYNJ-ZVZYQTTQSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cncs1 ZINC000897931039 1047501571 /nfs/dbraw/zinc/50/15/71/1047501571.db2.gz VABOCWNQNJKYNJ-ZVZYQTTQSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556195209 1047553912 /nfs/dbraw/zinc/55/39/12/1047553912.db2.gz RXOYXMPVJMUPIQ-QBGRRASTSA-N 2 2 340.442 4.073 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556195209 1047553928 /nfs/dbraw/zinc/55/39/28/1047553928.db2.gz RXOYXMPVJMUPIQ-QBGRRASTSA-N 2 2 340.442 4.073 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000130431986 1047709727 /nfs/dbraw/zinc/70/97/27/1047709727.db2.gz DCGJUOUPXCASCS-FGZHOGPDSA-N 2 2 345.490 4.400 20 0 EIADLP C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000556603954 1047836583 /nfs/dbraw/zinc/83/65/83/1047836583.db2.gz QMYQXRGSMNKKFP-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000556603954 1047836585 /nfs/dbraw/zinc/83/65/85/1047836585.db2.gz QMYQXRGSMNKKFP-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP C[NH+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000556603954 1047836590 /nfs/dbraw/zinc/83/65/90/1047836590.db2.gz QMYQXRGSMNKKFP-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP C[NH+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000556603954 1047836591 /nfs/dbraw/zinc/83/65/91/1047836591.db2.gz QMYQXRGSMNKKFP-AWEZNQCLSA-N 2 2 349.931 4.237 20 0 EIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170729744 1047862210 /nfs/dbraw/zinc/86/22/10/1047862210.db2.gz GEDRYAJXZUNKQZ-ACDBMABISA-N 2 2 330.491 4.123 20 0 EIADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000824469108 1047877449 /nfs/dbraw/zinc/87/74/49/1047877449.db2.gz XAZZVUGVGDWFCF-IBGZPJMESA-N 2 2 339.389 4.318 20 0 EIADLP Fc1ccc(C2=CC[C@@H]([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000498926705 1047968070 /nfs/dbraw/zinc/96/80/70/1047968070.db2.gz DVWDEIQYYAWXDB-LJQANCHMSA-N 2 2 325.431 4.248 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001143680440 1048150322 /nfs/dbraw/zinc/15/03/22/1048150322.db2.gz BRRZWGMFTCWXOD-MRXNPFEDSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001143680440 1048150331 /nfs/dbraw/zinc/15/03/31/1048150331.db2.gz BRRZWGMFTCWXOD-MRXNPFEDSA-N 2 2 336.357 4.062 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cc(Cl)ccc3C2)cc1 ZINC001171113875 1048250743 /nfs/dbraw/zinc/25/07/43/1048250743.db2.gz XCQHPYODGOFLSQ-LJQANCHMSA-N 2 2 337.854 4.392 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809607827 1048416615 /nfs/dbraw/zinc/41/66/15/1048416615.db2.gz CIGJCYHADRVDMF-IUPXNIOVSA-N 2 2 333.426 4.112 20 0 EIADLP Fc1cc(F)cc(C2CC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000809612236 1048419838 /nfs/dbraw/zinc/41/98/38/1048419838.db2.gz YDBMPLSMYBHALS-UHFFFAOYSA-N 2 2 339.389 4.186 20 0 EIADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC001171169921 1048621702 /nfs/dbraw/zinc/62/17/02/1048621702.db2.gz SOGAKANCNWKVOO-KRWDZBQOSA-N 2 2 344.462 4.073 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000772955181 1048901854 /nfs/dbraw/zinc/90/18/54/1048901854.db2.gz FTZQWWVIGVDMIJ-AWEZNQCLSA-N 2 2 346.487 4.193 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000772955181 1048901869 /nfs/dbraw/zinc/90/18/69/1048901869.db2.gz FTZQWWVIGVDMIJ-AWEZNQCLSA-N 2 2 346.487 4.193 20 0 EIADLP Clc1cccc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001170898934 1049127261 /nfs/dbraw/zinc/12/72/61/1049127261.db2.gz ZMHNCNVZVOQQTR-QGZVFWFLSA-N 2 2 337.854 4.173 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cccc(Cl)c3C2)c1 ZINC001170919322 1049237957 /nfs/dbraw/zinc/23/79/57/1049237957.db2.gz YIILOWZVEFKRHC-KRWDZBQOSA-N 2 2 337.854 4.392 20 0 EIADLP CCc1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]c1 ZINC001170645424 1049298051 /nfs/dbraw/zinc/29/80/51/1049298051.db2.gz FHYYWPTWAUOARP-NSKBAKJYSA-N 2 2 335.495 4.276 20 0 EIADLP Cc1nc2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2s1 ZINC000348172455 1049470899 /nfs/dbraw/zinc/47/08/99/1049470899.db2.gz KEQQKSDPCKESAD-UHFFFAOYSA-N 2 2 348.475 4.139 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820805064 1049551042 /nfs/dbraw/zinc/55/10/42/1049551042.db2.gz DUYFHDXYCOEPHX-HXUWFJFHSA-N 2 2 326.484 4.336 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000812821870 1049585980 /nfs/dbraw/zinc/58/59/80/1049585980.db2.gz RTWYSCSTCMOVJX-QHCPKHFHSA-N 2 2 349.522 4.389 20 0 EIADLP Fc1cccc2c1CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001171400829 1049620800 /nfs/dbraw/zinc/62/08/00/1049620800.db2.gz GGLNRIWBWBTRQS-DENIHFKCSA-N 2 2 338.470 4.110 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000324813083 1049804846 /nfs/dbraw/zinc/80/48/46/1049804846.db2.gz DLIDRYROJQUBOQ-CJNGLKHVSA-N 2 2 337.414 4.250 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001171963674 1049825379 /nfs/dbraw/zinc/82/53/79/1049825379.db2.gz JSJFWNGSODFEMQ-KUHUBIRLSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001171963674 1049825380 /nfs/dbraw/zinc/82/53/80/1049825380.db2.gz JSJFWNGSODFEMQ-KUHUBIRLSA-N 2 2 348.412 4.022 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973115 1049835792 /nfs/dbraw/zinc/83/57/92/1049835792.db2.gz VYQCELAQSFMADV-QFBILLFUSA-N 2 2 341.474 4.315 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973115 1049835794 /nfs/dbraw/zinc/83/57/94/1049835794.db2.gz VYQCELAQSFMADV-QFBILLFUSA-N 2 2 341.474 4.315 20 0 EIADLP CC1(C)C[C@@H]([NH2+]C2(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977198 1049836856 /nfs/dbraw/zinc/83/68/56/1049836856.db2.gz YHKRTBBEMLWOFN-FQEVSTJZSA-N 2 2 335.495 4.104 20 0 EIADLP CC1(C)C[C@@H]([NH2+]C2(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977198 1049836858 /nfs/dbraw/zinc/83/68/58/1049836858.db2.gz YHKRTBBEMLWOFN-FQEVSTJZSA-N 2 2 335.495 4.104 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976024 1049837129 /nfs/dbraw/zinc/83/71/29/1049837129.db2.gz HQLDSDPMRPKLFW-GGPKGHCWSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976024 1049837132 /nfs/dbraw/zinc/83/71/32/1049837132.db2.gz HQLDSDPMRPKLFW-GGPKGHCWSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976024 1049837134 /nfs/dbraw/zinc/83/71/34/1049837134.db2.gz HQLDSDPMRPKLFW-GGPKGHCWSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976024 1049837140 /nfs/dbraw/zinc/83/71/40/1049837140.db2.gz HQLDSDPMRPKLFW-GGPKGHCWSA-N 2 2 336.470 4.202 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2COc4ccccc42)C3)cc1 ZINC001172074032 1049845361 /nfs/dbraw/zinc/84/53/61/1049845361.db2.gz SUJBJOMWBCBKRG-KEZQHZCBSA-N 2 2 348.490 4.295 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2COc4ccccc42)C3)cc1 ZINC001172074032 1049845363 /nfs/dbraw/zinc/84/53/63/1049845363.db2.gz SUJBJOMWBCBKRG-KEZQHZCBSA-N 2 2 348.490 4.295 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795568 1049857003 /nfs/dbraw/zinc/85/70/03/1049857003.db2.gz WVNKLPFNLRMUKU-KKSFZXQISA-N 2 2 341.474 4.050 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795568 1049857006 /nfs/dbraw/zinc/85/70/06/1049857006.db2.gz WVNKLPFNLRMUKU-KKSFZXQISA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795568 1049857009 /nfs/dbraw/zinc/85/70/09/1049857009.db2.gz WVNKLPFNLRMUKU-KKSFZXQISA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@@H](C)C1 ZINC000245795568 1049857013 /nfs/dbraw/zinc/85/70/13/1049857013.db2.gz WVNKLPFNLRMUKU-KKSFZXQISA-N 2 2 341.474 4.050 20 0 EIADLP CC[C@@H](C)OCC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327957 1049885816 /nfs/dbraw/zinc/88/58/16/1049885816.db2.gz AENGEPFONOVMPI-RTBURBONSA-N 2 2 332.532 4.177 20 0 EIADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172327957 1049885819 /nfs/dbraw/zinc/88/58/19/1049885819.db2.gz AENGEPFONOVMPI-RTBURBONSA-N 2 2 332.532 4.177 20 0 EIADLP CCCCCC[C@@H](CCC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172388970 1049904068 /nfs/dbraw/zinc/90/40/68/1049904068.db2.gz QROFZYIMSZVXOA-QGZVFWFLSA-N 2 2 344.503 4.417 20 0 EIADLP CCCCCC[C@@H](CCC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172388970 1049904072 /nfs/dbraw/zinc/90/40/72/1049904072.db2.gz QROFZYIMSZVXOA-QGZVFWFLSA-N 2 2 344.503 4.417 20 0 EIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567364 1049937085 /nfs/dbraw/zinc/93/70/85/1049937085.db2.gz JRMHMLILBNVIBO-JSGCOSHPSA-N 2 2 330.850 4.012 20 0 EIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567364 1049937088 /nfs/dbraw/zinc/93/70/88/1049937088.db2.gz JRMHMLILBNVIBO-JSGCOSHPSA-N 2 2 330.850 4.012 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172572801 1049940208 /nfs/dbraw/zinc/94/02/08/1049940208.db2.gz LQECDPNUQOEXRP-SJCJKPOMSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172572801 1049940216 /nfs/dbraw/zinc/94/02/16/1049940216.db2.gz LQECDPNUQOEXRP-SJCJKPOMSA-N 2 2 330.850 4.013 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172726897 1049967342 /nfs/dbraw/zinc/96/73/42/1049967342.db2.gz YLDGXINNYZJCID-FQEVSTJZSA-N 2 2 337.854 4.125 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172726897 1049967345 /nfs/dbraw/zinc/96/73/45/1049967345.db2.gz YLDGXINNYZJCID-FQEVSTJZSA-N 2 2 337.854 4.125 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000247161626 1050016029 /nfs/dbraw/zinc/01/60/29/1050016029.db2.gz XUHMXRLUOFNMBL-YVWKXTFCSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000247161626 1050016036 /nfs/dbraw/zinc/01/60/36/1050016036.db2.gz XUHMXRLUOFNMBL-YVWKXTFCSA-N 2 2 342.458 4.018 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC001177136599 1050154443 /nfs/dbraw/zinc/15/44/43/1050154443.db2.gz SFNQKTVNNVCDSY-UHFFFAOYSA-N 2 2 346.902 4.350 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001177136599 1050154450 /nfs/dbraw/zinc/15/44/50/1050154450.db2.gz SFNQKTVNNVCDSY-UHFFFAOYSA-N 2 2 346.902 4.350 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000090585561 1050187870 /nfs/dbraw/zinc/18/78/70/1050187870.db2.gz BXIWDOYPOIHABW-HOTGVXAUSA-N 2 2 335.561 4.041 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000090585561 1050187876 /nfs/dbraw/zinc/18/78/76/1050187876.db2.gz BXIWDOYPOIHABW-HOTGVXAUSA-N 2 2 335.561 4.041 20 0 EIADLP CSc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC001177315415 1050190057 /nfs/dbraw/zinc/19/00/57/1050190057.db2.gz ZCCPKQTXKQMKQS-UHFFFAOYSA-N 2 2 330.497 4.064 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860087 1050196282 /nfs/dbraw/zinc/19/62/82/1050196282.db2.gz DMWCXSNYUPYZBD-HUUCEWRRSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860087 1050196290 /nfs/dbraw/zinc/19/62/90/1050196290.db2.gz DMWCXSNYUPYZBD-HUUCEWRRSA-N 2 2 348.849 4.267 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172860826 1050198460 /nfs/dbraw/zinc/19/84/60/1050198460.db2.gz HFAMJLSMZFANDI-AWEZNQCLSA-N 2 2 343.833 4.386 20 0 EIADLP CC(C)[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172871786 1050208819 /nfs/dbraw/zinc/20/88/19/1050208819.db2.gz LTNMVJCUWHYHGU-AWEZNQCLSA-N 2 2 326.887 4.215 20 0 EIADLP CC(C)[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172871786 1050208826 /nfs/dbraw/zinc/20/88/26/1050208826.db2.gz LTNMVJCUWHYHGU-AWEZNQCLSA-N 2 2 326.887 4.215 20 0 EIADLP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177463495 1050215934 /nfs/dbraw/zinc/21/59/34/1050215934.db2.gz BBCQRMDFWIPJMU-INIZCTEOSA-N 2 2 341.480 4.108 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091372553 1050257567 /nfs/dbraw/zinc/25/75/67/1050257567.db2.gz XDLKFUPNKQQZII-CYBMUJFWSA-N 2 2 348.922 4.140 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2c(s1)CCCC2 ZINC000091733364 1050277933 /nfs/dbraw/zinc/27/79/33/1050277933.db2.gz SFCJAGKGBZCZFU-CQSZACIVSA-N 2 2 333.545 4.080 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001177703140 1050282441 /nfs/dbraw/zinc/28/24/41/1050282441.db2.gz YHPNZXIDXBNYCT-MJGOQNOKSA-N 2 2 349.950 4.020 20 0 EIADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173196525 1050340604 /nfs/dbraw/zinc/34/06/04/1050340604.db2.gz PZKUFXLFIQVBAY-LWEYNCJUSA-N 2 2 330.516 4.087 20 0 EIADLP CCO[C@@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943700 1050343810 /nfs/dbraw/zinc/34/38/10/1050343810.db2.gz TXVHBDGLTWCIHF-UXHICEINSA-N 2 2 332.532 4.080 20 0 EIADLP CCO[C@@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943700 1050343823 /nfs/dbraw/zinc/34/38/23/1050343823.db2.gz TXVHBDGLTWCIHF-UXHICEINSA-N 2 2 332.532 4.080 20 0 EIADLP Cc1cc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC001178790989 1050555569 /nfs/dbraw/zinc/55/55/69/1050555569.db2.gz KXWQQDXHAVHXQU-UHFFFAOYSA-N 2 2 325.843 4.166 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638706 1050648515 /nfs/dbraw/zinc/64/85/15/1050648515.db2.gz WVNKLPFNLRMUKU-IERDGZPVSA-N 2 2 341.474 4.050 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638706 1050648521 /nfs/dbraw/zinc/64/85/21/1050648521.db2.gz WVNKLPFNLRMUKU-IERDGZPVSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638706 1050648529 /nfs/dbraw/zinc/64/85/29/1050648529.db2.gz WVNKLPFNLRMUKU-IERDGZPVSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638706 1050648533 /nfs/dbraw/zinc/64/85/33/1050648533.db2.gz WVNKLPFNLRMUKU-IERDGZPVSA-N 2 2 341.474 4.050 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638708 1050648584 /nfs/dbraw/zinc/64/85/84/1050648584.db2.gz WVNKLPFNLRMUKU-IIBYNOLFSA-N 2 2 341.474 4.050 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638708 1050648587 /nfs/dbraw/zinc/64/85/87/1050648587.db2.gz WVNKLPFNLRMUKU-IIBYNOLFSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638708 1050648589 /nfs/dbraw/zinc/64/85/89/1050648589.db2.gz WVNKLPFNLRMUKU-IIBYNOLFSA-N 2 2 341.474 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)[C@H](C)C1 ZINC000093638708 1050648592 /nfs/dbraw/zinc/64/85/92/1050648592.db2.gz WVNKLPFNLRMUKU-IIBYNOLFSA-N 2 2 341.474 4.050 20 0 EIADLP CC1(C)C[C@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001179222809 1050651811 /nfs/dbraw/zinc/65/18/11/1050651811.db2.gz RYIGGGIBOJROGQ-FQEVSTJZSA-N 2 2 337.492 4.391 20 0 EIADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@H]1CC=CCC1 ZINC001179497778 1050710157 /nfs/dbraw/zinc/71/01/57/1050710157.db2.gz OLDYTBKQHMEWAG-KRWDZBQOSA-N 2 2 326.488 4.146 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001181244097 1051183642 /nfs/dbraw/zinc/18/36/42/1051183642.db2.gz MRBWZECKULEPLX-HNNXBMFYSA-N 2 2 342.449 4.348 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001181244097 1051183645 /nfs/dbraw/zinc/18/36/45/1051183645.db2.gz MRBWZECKULEPLX-HNNXBMFYSA-N 2 2 342.449 4.348 20 0 EIADLP Cc1cc[nH+]c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc12 ZINC001174813901 1051203111 /nfs/dbraw/zinc/20/31/11/1051203111.db2.gz LUNKJKZSRJRFCG-UHFFFAOYSA-N 2 2 332.451 4.039 20 0 EIADLP C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001190944596 1051309510 /nfs/dbraw/zinc/30/95/10/1051309510.db2.gz NEYPOMWYOPXDIG-QFIPXVFZSA-N 2 2 331.463 4.426 20 0 EIADLP C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001190944596 1051309517 /nfs/dbraw/zinc/30/95/17/1051309517.db2.gz NEYPOMWYOPXDIG-QFIPXVFZSA-N 2 2 331.463 4.426 20 0 EIADLP CCCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)c1 ZINC001175155990 1051386932 /nfs/dbraw/zinc/38/69/32/1051386932.db2.gz KBUNITLQHRRZPZ-UHFFFAOYSA-N 2 2 330.516 4.316 20 0 EIADLP [NH3+]CCC1CC[NH+](Cc2c(F)c(Cl)ccc2C(F)(F)F)CC1 ZINC001206500971 1051513715 /nfs/dbraw/zinc/51/37/15/1051513715.db2.gz YDIQFMBJWCESKI-UHFFFAOYSA-N 2 2 338.776 4.059 20 0 EIADLP c1ccc(C[N@H+]2CC=C(Nc3ccc(N4CCCCC4)[nH+]c3)CC2)cc1 ZINC001175505925 1051634305 /nfs/dbraw/zinc/63/43/05/1051634305.db2.gz VTFLOZVCVFRKAJ-UHFFFAOYSA-N 2 2 348.494 4.274 20 0 EIADLP c1ccc(C[N@@H+]2CC=C(Nc3ccc(N4CCCCC4)[nH+]c3)CC2)cc1 ZINC001175505925 1051634312 /nfs/dbraw/zinc/63/43/12/1051634312.db2.gz VTFLOZVCVFRKAJ-UHFFFAOYSA-N 2 2 348.494 4.274 20 0 EIADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001182845107 1051712929 /nfs/dbraw/zinc/71/29/29/1051712929.db2.gz RNPNQHBUWRBMIF-KQPGTDLCSA-N 2 2 344.543 4.425 20 0 EIADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001182845107 1051712936 /nfs/dbraw/zinc/71/29/36/1051712936.db2.gz RNPNQHBUWRBMIF-KQPGTDLCSA-N 2 2 344.543 4.425 20 0 EIADLP CC1(C)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC001182960834 1051748790 /nfs/dbraw/zinc/74/87/90/1051748790.db2.gz VNEMUDIHKUYIPP-DUXKGJEZSA-N 2 2 342.527 4.229 20 0 EIADLP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC001182960834 1051748813 /nfs/dbraw/zinc/74/88/13/1051748813.db2.gz VNEMUDIHKUYIPP-DUXKGJEZSA-N 2 2 342.527 4.229 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001206554831 1051781367 /nfs/dbraw/zinc/78/13/67/1051781367.db2.gz GKSZFIUOVMWJNI-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001206554831 1051781381 /nfs/dbraw/zinc/78/13/81/1051781381.db2.gz GKSZFIUOVMWJNI-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000775565816 1051858911 /nfs/dbraw/zinc/85/89/11/1051858911.db2.gz PTSRMQSTCIWNBK-UHFFFAOYSA-N 2 2 349.522 4.086 20 0 EIADLP C[C@H](CC(C)(C)C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001183740365 1051892486 /nfs/dbraw/zinc/89/24/86/1051892486.db2.gz NJJOMPMOJXOMLR-GOSISDBHSA-N 2 2 332.532 4.082 20 0 EIADLP C[C@H](CC(C)(C)C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001183740365 1051892489 /nfs/dbraw/zinc/89/24/89/1051892489.db2.gz NJJOMPMOJXOMLR-GOSISDBHSA-N 2 2 332.532 4.082 20 0 EIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000159310561 1051974408 /nfs/dbraw/zinc/97/44/08/1051974408.db2.gz KYRALGNJQFDWJI-LLVKDONJSA-N 2 2 332.822 4.076 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001204175018 1052155771 /nfs/dbraw/zinc/15/57/71/1052155771.db2.gz KWXQGCFOILRJQA-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001204175018 1052155777 /nfs/dbraw/zinc/15/57/77/1052155777.db2.gz KWXQGCFOILRJQA-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP CCc1cc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc(CC)[nH+]1 ZINC001185701886 1052284483 /nfs/dbraw/zinc/28/44/83/1052284483.db2.gz OHGQWZKZRCMPJH-KRWDZBQOSA-N 2 2 344.547 4.082 20 0 EIADLP CCc1cc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc(CC)[nH+]1 ZINC001185701886 1052284487 /nfs/dbraw/zinc/28/44/87/1052284487.db2.gz OHGQWZKZRCMPJH-KRWDZBQOSA-N 2 2 344.547 4.082 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901239 1052578998 /nfs/dbraw/zinc/57/89/98/1052578998.db2.gz BQIMYHNSESOXKX-YADHBBJMSA-N 2 2 338.495 4.018 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000341901239 1052579000 /nfs/dbraw/zinc/57/90/00/1052579000.db2.gz BQIMYHNSESOXKX-YADHBBJMSA-N 2 2 338.495 4.018 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000177210027 1052674916 /nfs/dbraw/zinc/67/49/16/1052674916.db2.gz OZLXLGPUZZEQGL-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000623964716 1052843621 /nfs/dbraw/zinc/84/36/21/1052843621.db2.gz ORHSVMPXSMRTDV-CGTJXYLNSA-N 2 2 345.487 4.030 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884320 1052954331 /nfs/dbraw/zinc/95/43/31/1052954331.db2.gz WBKFGBMSKYCWEI-GQIGUUNPSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884320 1052954334 /nfs/dbraw/zinc/95/43/34/1052954334.db2.gz WBKFGBMSKYCWEI-GQIGUUNPSA-N 2 2 338.499 4.027 20 0 EIADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194847410 1053048255 /nfs/dbraw/zinc/04/82/55/1053048255.db2.gz RMBCVLBCLMQNJL-OAQYLSRUSA-N 2 2 347.462 4.107 20 0 EIADLP CC(C)CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000764505130 1053138013 /nfs/dbraw/zinc/13/80/13/1053138013.db2.gz VRWPRYPQUVVHFQ-CTNGQTDRSA-N 2 2 331.548 4.488 20 0 EIADLP CC(C)CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000764505130 1053138030 /nfs/dbraw/zinc/13/80/30/1053138030.db2.gz VRWPRYPQUVVHFQ-CTNGQTDRSA-N 2 2 331.548 4.488 20 0 EIADLP CCC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000765249365 1053476129 /nfs/dbraw/zinc/47/61/29/1053476129.db2.gz HMLJFELELCZIRT-MOPGFXCFSA-N 2 2 329.488 4.437 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250354 1053476353 /nfs/dbraw/zinc/47/63/53/1053476353.db2.gz LETKIZGEVAYEDP-GJYPPUQNSA-N 2 2 329.488 4.088 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000765255009 1053481649 /nfs/dbraw/zinc/48/16/49/1053481649.db2.gz NYVJWHPRSQOQBL-OAGGEKHMSA-N 2 2 331.529 4.252 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000765299378 1053497293 /nfs/dbraw/zinc/49/72/93/1053497293.db2.gz GIGUSIODMGOTAM-INIZCTEOSA-N 2 2 343.540 4.442 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccnc1Cl ZINC000765453435 1053553671 /nfs/dbraw/zinc/55/36/71/1053553671.db2.gz OYALGUVLCKZAOZ-HNNXBMFYSA-N 2 2 335.923 4.430 20 0 EIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866239603 1053660483 /nfs/dbraw/zinc/66/04/83/1053660483.db2.gz VWJOGIFJRVMXBH-BLLLJJGKSA-N 2 2 346.862 4.443 20 0 EIADLP Cc1cccc(Cl)c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264770 1053864963 /nfs/dbraw/zinc/86/49/63/1053864963.db2.gz NMCZFEHGMPSJPD-IBGZPJMESA-N 2 2 325.843 4.376 20 0 EIADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198769207 1054260538 /nfs/dbraw/zinc/26/05/38/1054260538.db2.gz KZLQVPJUFFPFNJ-INIZCTEOSA-N 2 2 329.513 4.170 20 0 EIADLP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000872051049 1054361305 /nfs/dbraw/zinc/36/13/05/1054361305.db2.gz FEQXIUBBIRKKLB-GDBMZVCRSA-N 2 2 343.437 4.318 20 0 EIADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858103911 1054416148 /nfs/dbraw/zinc/41/61/48/1054416148.db2.gz ZIAGBQKRIOZHTN-JHVJFLLYSA-N 2 2 327.516 4.064 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160434 1054429713 /nfs/dbraw/zinc/42/97/13/1054429713.db2.gz IWRPSKJEVPCXNL-SMDDNHRTSA-N 2 2 343.298 4.279 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160434 1054429724 /nfs/dbraw/zinc/42/97/24/1054429724.db2.gz IWRPSKJEVPCXNL-SMDDNHRTSA-N 2 2 343.298 4.279 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)on2)cc1 ZINC000859212837 1054645165 /nfs/dbraw/zinc/64/51/65/1054645165.db2.gz CDACKSWMANMKSV-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)on2)cc1 ZINC000859212837 1054645171 /nfs/dbraw/zinc/64/51/71/1054645171.db2.gz CDACKSWMANMKSV-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP Brc1ccc2c(C3C[NH+](CC4CCCCC4)C3)[nH+]cn2c1 ZINC001201399272 1054774869 /nfs/dbraw/zinc/77/48/69/1054774869.db2.gz AONGLDPBLVXVOQ-UHFFFAOYSA-N 2 2 348.288 4.076 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC001201566870 1054852153 /nfs/dbraw/zinc/85/21/53/1054852153.db2.gz PBWXYWVLZGIRRX-CQSZACIVSA-N 2 2 347.865 4.189 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)c(C)c2)c(C)c1 ZINC001201599950 1054854385 /nfs/dbraw/zinc/85/43/85/1054854385.db2.gz DBPPAHUXEDOUDS-NRFANRHFSA-N 2 2 337.442 4.479 20 0 EIADLP Clc1ccc2sc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2n1 ZINC000876620211 1054939159 /nfs/dbraw/zinc/93/91/59/1054939159.db2.gz LNBIVIGNLZLAOC-LLVKDONJSA-N 2 2 332.860 4.052 20 0 EIADLP Clc1ccc2sc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2n1 ZINC000876620211 1054939166 /nfs/dbraw/zinc/93/91/66/1054939166.db2.gz LNBIVIGNLZLAOC-LLVKDONJSA-N 2 2 332.860 4.052 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201977589 1054952685 /nfs/dbraw/zinc/95/26/85/1054952685.db2.gz TYQDIOUDRJAVLO-KSEOMHKRSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977586 1054953240 /nfs/dbraw/zinc/95/32/40/1054953240.db2.gz TYQDIOUDRJAVLO-BVSLBCMMSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037424656 1055044012 /nfs/dbraw/zinc/04/40/12/1055044012.db2.gz KOAHWVCEGFDETC-OAHLLOKOSA-N 2 2 326.271 4.394 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380162 1055060895 /nfs/dbraw/zinc/06/08/95/1055060895.db2.gz SEQIQNUWBOVLIV-MNOVXSKESA-N 2 2 349.828 4.277 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380162 1055060909 /nfs/dbraw/zinc/06/09/09/1055060909.db2.gz SEQIQNUWBOVLIV-MNOVXSKESA-N 2 2 349.828 4.277 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000765859278 1056015879 /nfs/dbraw/zinc/01/58/79/1056015879.db2.gz JVRQRRCJWJKUMD-QFIPXVFZSA-N 2 2 337.511 4.252 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000743479079 1059011703 /nfs/dbraw/zinc/01/17/03/1059011703.db2.gz AGXWHKLFGHRXSP-SFHVURJKSA-N 2 2 337.511 4.381 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cncc2ccccc21 ZINC000379633317 1059660455 /nfs/dbraw/zinc/66/04/55/1059660455.db2.gz UAKXYNPXDBWWJT-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cncc2ccccc21 ZINC000379633317 1059660474 /nfs/dbraw/zinc/66/04/74/1059660474.db2.gz UAKXYNPXDBWWJT-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000766551980 1060538478 /nfs/dbraw/zinc/53/84/78/1060538478.db2.gz XKBKIGQEUNBZDS-QUCCMNQESA-N 2 2 331.548 4.488 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000766551980 1060538501 /nfs/dbraw/zinc/53/85/01/1060538501.db2.gz XKBKIGQEUNBZDS-QUCCMNQESA-N 2 2 331.548 4.488 20 0 EIADLP Fc1cccc([C@H]2C[C@H]2[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001169215780 1060694955 /nfs/dbraw/zinc/69/49/55/1060694955.db2.gz BBVSQXZCCMFHHD-WOJBJXKFSA-N 2 2 327.447 4.071 20 0 EIADLP Clc1ccccc1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001169216066 1060695045 /nfs/dbraw/zinc/69/50/45/1060695045.db2.gz DKXVLGILSYNLSA-UHFFFAOYSA-N 2 2 331.891 4.271 20 0 EIADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050743 721979094 /nfs/dbraw/zinc/97/90/94/721979094.db2.gz WJIUJZVOUMACBS-KRWDZBQOSA-N 2 2 335.923 4.311 20 0 EIADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050743 721979096 /nfs/dbraw/zinc/97/90/96/721979096.db2.gz WJIUJZVOUMACBS-KRWDZBQOSA-N 2 2 335.923 4.311 20 0 EIADLP Cc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)[nH+]c1C ZINC001164995763 722197564 /nfs/dbraw/zinc/19/75/64/722197564.db2.gz XTXPVOANJQSICG-OAQYLSRUSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]c1C ZINC001164995763 722197565 /nfs/dbraw/zinc/19/75/65/722197565.db2.gz XTXPVOANJQSICG-OAQYLSRUSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cn2)c1 ZINC000532193514 1032081780 /nfs/dbraw/zinc/08/17/80/1032081780.db2.gz FSDISIDFGNCQQW-PKOBYXMFSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)c1 ZINC000532193514 1032081796 /nfs/dbraw/zinc/08/17/96/1032081796.db2.gz FSDISIDFGNCQQW-PKOBYXMFSA-N 2 2 339.483 4.063 20 0 EIADLP CC1(c2ccccc2)CC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000459376030 1032104850 /nfs/dbraw/zinc/10/48/50/1032104850.db2.gz ZPAGOYFXXVGOTM-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238699 1032118016 /nfs/dbraw/zinc/11/80/16/1032118016.db2.gz OUADWFQROOLXDM-KBPBESRZSA-N 2 2 328.472 4.036 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238699 1032118020 /nfs/dbraw/zinc/11/80/20/1032118020.db2.gz OUADWFQROOLXDM-KBPBESRZSA-N 2 2 328.472 4.036 20 0 EIADLP Fc1cc2[nH+]ccc(N3CCC([NH+]4CCCC4)CC3)c2cc1Cl ZINC000450258694 1032373072 /nfs/dbraw/zinc/37/30/72/1032373072.db2.gz BKASONJZSHVEJX-UHFFFAOYSA-N 2 2 333.838 4.092 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245707358 1032404777 /nfs/dbraw/zinc/40/47/77/1032404777.db2.gz MQXXGXRFTKJVJF-DSLXNQLJSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245707358 1032404783 /nfs/dbraw/zinc/40/47/83/1032404783.db2.gz MQXXGXRFTKJVJF-DSLXNQLJSA-N 2 2 341.524 4.298 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000508630153 1032410966 /nfs/dbraw/zinc/41/09/66/1032410966.db2.gz MCRCZQBIPTYQQH-ZDUSSCGKSA-N 2 2 338.282 4.182 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000508630153 1032410970 /nfs/dbraw/zinc/41/09/70/1032410970.db2.gz MCRCZQBIPTYQQH-ZDUSSCGKSA-N 2 2 338.282 4.182 20 0 EIADLP CC[N@@H+](Cc1ccc2cc[nH]c2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000529529388 1032418467 /nfs/dbraw/zinc/41/84/67/1032418467.db2.gz AQWXHSQXWLCICE-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP CC[N@H+](Cc1ccc2cc[nH]c2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000529529388 1032418473 /nfs/dbraw/zinc/41/84/73/1032418473.db2.gz AQWXHSQXWLCICE-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)COCc1ccccc1 ZINC000389899382 1032427464 /nfs/dbraw/zinc/42/74/64/1032427464.db2.gz ARXSPZCSYSOHDD-RTBURBONSA-N 2 2 349.478 4.376 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)nc1 ZINC000760169826 1032542660 /nfs/dbraw/zinc/54/26/60/1032542660.db2.gz RVBYYUCKZMWPSV-PBHICJAKSA-N 2 2 340.858 4.103 20 0 EIADLP Clc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385202 1019140209 /nfs/dbraw/zinc/14/02/09/1019140209.db2.gz NDCZGJMCGIFICJ-QUCCMNQESA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385202 1019140231 /nfs/dbraw/zinc/14/02/31/1019140231.db2.gz NDCZGJMCGIFICJ-QUCCMNQESA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385202 1019140248 /nfs/dbraw/zinc/14/02/48/1019140248.db2.gz NDCZGJMCGIFICJ-QUCCMNQESA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385202 1019140266 /nfs/dbraw/zinc/14/02/66/1019140266.db2.gz NDCZGJMCGIFICJ-QUCCMNQESA-N 2 2 340.898 4.294 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274858821 1019793331 /nfs/dbraw/zinc/79/33/31/1019793331.db2.gz CMIGBAFCPZZDMX-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274858821 1019793349 /nfs/dbraw/zinc/79/33/49/1019793349.db2.gz CMIGBAFCPZZDMX-TXPKVOOTSA-N 2 2 343.902 4.439 20 0 EIADLP C[NH+]1CCC([N@H+](CCc2ccc(F)cc2Cl)C2CCCC2)CC1 ZINC001209115274 1020021507 /nfs/dbraw/zinc/02/15/07/1020021507.db2.gz OAMBYWMJSXERRF-UHFFFAOYSA-N 2 2 338.898 4.360 20 0 EIADLP C[NH+]1CCC([N@@H+](CCc2ccc(F)cc2Cl)C2CCCC2)CC1 ZINC001209115274 1020021522 /nfs/dbraw/zinc/02/15/22/1020021522.db2.gz OAMBYWMJSXERRF-UHFFFAOYSA-N 2 2 338.898 4.360 20 0 EIADLP Cc1oc2ccccc2c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000340084555 1020294437 /nfs/dbraw/zinc/29/44/37/1020294437.db2.gz YVHZUURLRJUWLG-UHFFFAOYSA-N 2 2 331.419 4.276 20 0 EIADLP Cc1cc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C(C)C ZINC000109795603 1020422067 /nfs/dbraw/zinc/42/20/67/1020422067.db2.gz AGHCWSANIOITIT-UHFFFAOYSA-N 2 2 327.472 4.031 20 0 EIADLP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000510220162 1020483637 /nfs/dbraw/zinc/48/36/37/1020483637.db2.gz BSMWDTKLRPWNAP-KRWDZBQOSA-N 2 2 337.920 4.345 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000375609711 1020756759 /nfs/dbraw/zinc/75/67/59/1020756759.db2.gz BUHLXAFAHDSCRW-IBGZPJMESA-N 2 2 333.520 4.240 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000375609711 1020756769 /nfs/dbraw/zinc/75/67/69/1020756769.db2.gz BUHLXAFAHDSCRW-IBGZPJMESA-N 2 2 333.520 4.240 20 0 EIADLP Fc1ccc([C@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000275572613 1020828835 /nfs/dbraw/zinc/82/88/35/1020828835.db2.gz BBBRZQYUQFCKHB-FXAWDEMLSA-N 2 2 339.458 4.115 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@H](C)SC2)c(C)c1 ZINC000655735428 1020923490 /nfs/dbraw/zinc/92/34/90/1020923490.db2.gz VHGYFOCLQACWHC-SCTDSRPQSA-N 2 2 329.513 4.115 20 0 EIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655760638 1020942640 /nfs/dbraw/zinc/94/26/40/1020942640.db2.gz VXKCSUNLSBAIGU-SJLPKXTDSA-N 2 2 342.483 4.035 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849030 1021015746 /nfs/dbraw/zinc/01/57/46/1021015746.db2.gz OWJJIFSLLQYGQJ-MTNREXPMSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849030 1021015751 /nfs/dbraw/zinc/01/57/51/1021015751.db2.gz OWJJIFSLLQYGQJ-MTNREXPMSA-N 2 2 335.495 4.416 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1cc(Cl)ccc1Cl ZINC000538122330 1021047099 /nfs/dbraw/zinc/04/70/99/1021047099.db2.gz YFTOBQDSAONBOK-UHFFFAOYSA-N 2 2 344.311 4.304 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1cc(Cl)ccc1Cl ZINC000538122330 1021047107 /nfs/dbraw/zinc/04/71/07/1021047107.db2.gz YFTOBQDSAONBOK-UHFFFAOYSA-N 2 2 344.311 4.304 20 0 EIADLP C[N@H+](CCC1CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000580297938 1021828464 /nfs/dbraw/zinc/82/84/64/1021828464.db2.gz COKZEDSRRSKZEQ-UHFFFAOYSA-N 2 2 343.559 4.381 20 0 EIADLP C[N@@H+](CCC1CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000580297938 1021828465 /nfs/dbraw/zinc/82/84/65/1021828465.db2.gz COKZEDSRRSKZEQ-UHFFFAOYSA-N 2 2 343.559 4.381 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000580302501 1021830845 /nfs/dbraw/zinc/83/08/45/1021830845.db2.gz WXTRPZISMMDWRZ-QKNQBKEWSA-N 2 2 337.511 4.268 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000414119792 1021877874 /nfs/dbraw/zinc/87/78/74/1021877874.db2.gz WXAZBXBOLWHBNT-USXIJHARSA-N 2 2 329.513 4.334 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000089554845 1021931816 /nfs/dbraw/zinc/93/18/16/1021931816.db2.gz WCCKGJKBPYDLLJ-NNMXDRDESA-N 2 2 336.479 4.001 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000089554845 1021931834 /nfs/dbraw/zinc/93/18/34/1021931834.db2.gz WCCKGJKBPYDLLJ-NNMXDRDESA-N 2 2 336.479 4.001 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414204247 1022140532 /nfs/dbraw/zinc/14/05/32/1022140532.db2.gz BCRAMTCLJZUUBC-UHFFFAOYSA-N 2 2 345.712 4.065 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000376350773 1022257046 /nfs/dbraw/zinc/25/70/46/1022257046.db2.gz IYRRHULLBCNWLM-QFBILLFUSA-N 2 2 329.513 4.049 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000376350773 1022257088 /nfs/dbraw/zinc/25/70/88/1022257088.db2.gz IYRRHULLBCNWLM-QFBILLFUSA-N 2 2 329.513 4.049 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1SC ZINC000378186274 1022489308 /nfs/dbraw/zinc/48/93/08/1022489308.db2.gz WGUOMEICAJUDHD-HOCLYGCPSA-N 2 2 345.512 4.150 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467198082 1022552021 /nfs/dbraw/zinc/55/20/21/1022552021.db2.gz WONBLGHWLGTKIZ-YLJYHZDGSA-N 2 2 339.483 4.405 20 0 EIADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000893182428 1022555626 /nfs/dbraw/zinc/55/56/26/1022555626.db2.gz KYKQUBPUIDDEFC-IBGZPJMESA-N 2 2 339.439 4.023 20 0 EIADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143471099 1022614074 /nfs/dbraw/zinc/61/40/74/1022614074.db2.gz GLPGTFVAASQNQG-UHFFFAOYSA-N 2 2 344.421 4.198 20 0 EIADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143471099 1022614097 /nfs/dbraw/zinc/61/40/97/1022614097.db2.gz GLPGTFVAASQNQG-UHFFFAOYSA-N 2 2 344.421 4.198 20 0 EIADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261716861 1022688197 /nfs/dbraw/zinc/68/81/97/1022688197.db2.gz QGAIYBKOGOJQDM-CYBMUJFWSA-N 2 2 342.405 4.110 20 0 EIADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000510361837 1022734283 /nfs/dbraw/zinc/73/42/83/1022734283.db2.gz FHGYJOPWEDCEQT-PGRDOPGGSA-N 2 2 338.495 4.058 20 0 EIADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000580952663 1022741048 /nfs/dbraw/zinc/74/10/48/1022741048.db2.gz ORFDCXMNLRVVSY-KGLIPLIRSA-N 2 2 329.391 4.145 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnoc2C2CC2)cc1F ZINC000378466252 1022832132 /nfs/dbraw/zinc/83/21/32/1022832132.db2.gz ZVMSYNZUCMYGMK-LBPRGKRZSA-N 2 2 340.402 4.036 20 0 EIADLP c1c(CC[NH2+]C(c2ccccc2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000378493345 1022844305 /nfs/dbraw/zinc/84/43/05/1022844305.db2.gz IOQTZYOQWROGOP-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 ZINC000363998419 1023110635 /nfs/dbraw/zinc/11/06/35/1023110635.db2.gz CKNHUERPZPQIET-LPHOPBHVSA-N 2 2 343.540 4.223 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 ZINC000363998419 1023110642 /nfs/dbraw/zinc/11/06/42/1023110642.db2.gz CKNHUERPZPQIET-LPHOPBHVSA-N 2 2 343.540 4.223 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1nc(C(F)(F)F)cs1 ZINC000343837703 1023242957 /nfs/dbraw/zinc/24/29/57/1023242957.db2.gz PUDRITJKYFVKDO-LLVKDONJSA-N 2 2 344.406 4.100 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430604223 1023246237 /nfs/dbraw/zinc/24/62/37/1023246237.db2.gz PSPCJQNBZRCGMW-HNNXBMFYSA-N 2 2 329.513 4.104 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430604223 1023246246 /nfs/dbraw/zinc/24/62/46/1023246246.db2.gz PSPCJQNBZRCGMW-HNNXBMFYSA-N 2 2 329.513 4.104 20 0 EIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660258048 1023394959 /nfs/dbraw/zinc/39/49/59/1023394959.db2.gz YVVYQIVNLLVQSE-HUUCEWRRSA-N 2 2 329.513 4.039 20 0 EIADLP C[C@@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660258048 1023394966 /nfs/dbraw/zinc/39/49/66/1023394966.db2.gz YVVYQIVNLLVQSE-HUUCEWRRSA-N 2 2 329.513 4.039 20 0 EIADLP COc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415081241 1023429125 /nfs/dbraw/zinc/42/91/25/1023429125.db2.gz KMPMLBIQVCXSGS-OXJNMPFZSA-N 2 2 344.886 4.170 20 0 EIADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415086171 1023435679 /nfs/dbraw/zinc/43/56/79/1023435679.db2.gz UIGLEYUEICQKCU-APWZRJJASA-N 2 2 332.850 4.300 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508710 1023479739 /nfs/dbraw/zinc/47/97/39/1023479739.db2.gz RJQFBVDKKJWSBE-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508710 1023479750 /nfs/dbraw/zinc/47/97/50/1023479750.db2.gz RJQFBVDKKJWSBE-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C2 ZINC000364372765 1023690655 /nfs/dbraw/zinc/69/06/55/1023690655.db2.gz FHUOMVDDJZBNOK-PZJWPPBQSA-N 2 2 335.426 4.025 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2cnccc2o1 ZINC000651795506 1024034395 /nfs/dbraw/zinc/03/43/95/1024034395.db2.gz BUHKBXYITGJSKO-OAQYLSRUSA-N 2 2 349.478 4.218 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2cnccc2o1 ZINC000651795506 1024034406 /nfs/dbraw/zinc/03/44/06/1024034406.db2.gz BUHKBXYITGJSKO-OAQYLSRUSA-N 2 2 349.478 4.218 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)[C@H]1c1cccs1 ZINC000651719032 1024265879 /nfs/dbraw/zinc/26/58/79/1024265879.db2.gz GNNHCQYPNTVNJP-KUHUBIRLSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)[C@H]1c1cccs1 ZINC000651719032 1024265907 /nfs/dbraw/zinc/26/59/07/1024265907.db2.gz GNNHCQYPNTVNJP-KUHUBIRLSA-N 2 2 341.480 4.062 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc(F)c2)c1 ZINC000510735208 1024372758 /nfs/dbraw/zinc/37/27/58/1024372758.db2.gz NISDZMTVERLQEY-BDTNDASRSA-N 2 2 338.470 4.440 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(F)c2)c1 ZINC000510735208 1024372776 /nfs/dbraw/zinc/37/27/76/1024372776.db2.gz NISDZMTVERLQEY-BDTNDASRSA-N 2 2 338.470 4.440 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072518 1024594814 /nfs/dbraw/zinc/59/48/14/1024594814.db2.gz ZPQHQZNHRNACNO-OAHLLOKOSA-N 2 2 339.414 4.497 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072518 1024594834 /nfs/dbraw/zinc/59/48/34/1024594834.db2.gz ZPQHQZNHRNACNO-OAHLLOKOSA-N 2 2 339.414 4.497 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000510874855 1024700422 /nfs/dbraw/zinc/70/04/22/1024700422.db2.gz QQQHDUPPFYFYPX-MRXNPFEDSA-N 2 2 345.512 4.036 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000510874855 1024700446 /nfs/dbraw/zinc/70/04/46/1024700446.db2.gz QQQHDUPPFYFYPX-MRXNPFEDSA-N 2 2 345.512 4.036 20 0 EIADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431153769 1024738767 /nfs/dbraw/zinc/73/87/67/1024738767.db2.gz RPSAMMCPWLINKX-CXAGYDPISA-N 2 2 347.256 4.058 20 0 EIADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431153769 1024738788 /nfs/dbraw/zinc/73/87/88/1024738788.db2.gz RPSAMMCPWLINKX-CXAGYDPISA-N 2 2 347.256 4.058 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648469 1024805275 /nfs/dbraw/zinc/80/52/75/1024805275.db2.gz CJFPTZVJQFQJSS-UHFFFAOYSA-N 2 2 339.414 4.428 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662189312 1024903952 /nfs/dbraw/zinc/90/39/52/1024903952.db2.gz FEFCHKCWROEHBH-UHFFFAOYSA-N 2 2 348.288 4.058 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662189312 1024903972 /nfs/dbraw/zinc/90/39/72/1024903972.db2.gz FEFCHKCWROEHBH-UHFFFAOYSA-N 2 2 348.288 4.058 20 0 EIADLP CCC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000326661142 1024994937 /nfs/dbraw/zinc/99/49/37/1024994937.db2.gz JBASGJMEORUEGF-MSOLQXFVSA-N 2 2 344.459 4.337 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000277092488 1025037597 /nfs/dbraw/zinc/03/75/97/1025037597.db2.gz GLIAWIYLGFXTCX-ATZDWAIDSA-N 2 2 347.572 4.117 20 0 EIADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143525267 1025206129 /nfs/dbraw/zinc/20/61/29/1025206129.db2.gz RAQUGHNDGQBCMI-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143525267 1025206141 /nfs/dbraw/zinc/20/61/41/1025206141.db2.gz RAQUGHNDGQBCMI-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278873156 1025253413 /nfs/dbraw/zinc/25/34/13/1025253413.db2.gz GIFUEUVISFVUSO-JSGCOSHPSA-N 2 2 342.314 4.131 20 0 EIADLP C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000278873156 1025253428 /nfs/dbraw/zinc/25/34/28/1025253428.db2.gz GIFUEUVISFVUSO-JSGCOSHPSA-N 2 2 342.314 4.131 20 0 EIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151658948 1025397445 /nfs/dbraw/zinc/39/74/45/1025397445.db2.gz HHFZVZCGFMJEDX-HZPDHXFCSA-N 2 2 348.450 4.243 20 0 EIADLP Clc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000472070705 1025649597 /nfs/dbraw/zinc/64/95/97/1025649597.db2.gz UXETWJWDMYGFFT-UHFFFAOYSA-N 2 2 349.931 4.462 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)s1 ZINC000512098014 1025969144 /nfs/dbraw/zinc/96/91/44/1025969144.db2.gz HYTDPBDMNSZDQN-QGZVFWFLSA-N 2 2 335.492 4.221 20 0 EIADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000472145564 1026037631 /nfs/dbraw/zinc/03/76/31/1026037631.db2.gz JFSWTQXMIOTSET-FQEVSTJZSA-N 2 2 335.495 4.334 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cnc2ccsc2c1 ZINC000152116122 1026114677 /nfs/dbraw/zinc/11/46/77/1026114677.db2.gz HCXUWXZYFJQMGO-OAHLLOKOSA-N 2 2 348.475 4.392 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)nc1Cl ZINC000894614171 1026258423 /nfs/dbraw/zinc/25/84/23/1026258423.db2.gz XNOCBLQJYQRXRY-WAAKLRNESA-N 2 2 347.812 4.030 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)nc1Cl ZINC000894614171 1026258438 /nfs/dbraw/zinc/25/84/38/1026258438.db2.gz XNOCBLQJYQRXRY-WAAKLRNESA-N 2 2 347.812 4.030 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)cc1 ZINC000163049039 1026351005 /nfs/dbraw/zinc/35/10/05/1026351005.db2.gz PZKGALLCTMTQQZ-NRFANRHFSA-N 2 2 339.483 4.046 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2nccc3ccccc32)CC1 ZINC000894783793 1026440215 /nfs/dbraw/zinc/44/02/15/1026440215.db2.gz XUGZOTGBYKSCPX-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2nccc3ccccc32)CC1 ZINC000894783793 1026440221 /nfs/dbraw/zinc/44/02/21/1026440221.db2.gz XUGZOTGBYKSCPX-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000657391089 1026443685 /nfs/dbraw/zinc/44/36/85/1026443685.db2.gz OFYCLSFVPYDCCY-UHFFFAOYSA-N 2 2 338.480 4.105 20 0 EIADLP c1ccc([C@@H](C[NH2+]Cc2cccc3cnccc32)[NH+]2CCCC2)cc1 ZINC000236666427 1026674219 /nfs/dbraw/zinc/67/42/19/1026674219.db2.gz LNMSGAZFNCNVTJ-JOCHJYFZSA-N 2 2 331.463 4.162 20 0 EIADLP C[C@H](c1ccccc1Br)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342596737 1026715293 /nfs/dbraw/zinc/71/52/93/1026715293.db2.gz RGUJGMNCBXTCJY-GFCCVEGCSA-N 2 2 334.261 4.113 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCO2 ZINC000158408808 1026720083 /nfs/dbraw/zinc/72/00/83/1026720083.db2.gz PJEUDPPOUVBSLQ-HXUWFJFHSA-N 2 2 333.435 4.048 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507616244 1026855297 /nfs/dbraw/zinc/85/52/97/1026855297.db2.gz CLHPJTSQOQGYIN-UHFFFAOYSA-N 2 2 328.456 4.377 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507616244 1026855300 /nfs/dbraw/zinc/85/53/00/1026855300.db2.gz CLHPJTSQOQGYIN-UHFFFAOYSA-N 2 2 328.456 4.377 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000152881087 1026862358 /nfs/dbraw/zinc/86/23/58/1026862358.db2.gz BQHNGBXXFJKZSK-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152807232 1026885308 /nfs/dbraw/zinc/88/53/08/1026885308.db2.gz RIFXZMXXDGVXJD-FQEVSTJZSA-N 2 2 325.500 4.009 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000061016442 1027084260 /nfs/dbraw/zinc/08/42/60/1027084260.db2.gz HBIXQJMGQQQYDE-UHFFFAOYSA-N 2 2 338.495 4.230 20 0 EIADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000474479042 1027096366 /nfs/dbraw/zinc/09/63/66/1027096366.db2.gz WYYOGFRVPWEULA-JKSUJKDBSA-N 2 2 331.529 4.254 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000474480442 1027112696 /nfs/dbraw/zinc/11/26/96/1027112696.db2.gz UYMOKYIAETZXGF-ZDUSSCGKSA-N 2 2 326.271 4.191 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000453287023 1027382337 /nfs/dbraw/zinc/38/23/37/1027382337.db2.gz NRORKKOLGKXAGO-IRXDYDNUSA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000453287023 1027382364 /nfs/dbraw/zinc/38/23/64/1027382364.db2.gz NRORKKOLGKXAGO-IRXDYDNUSA-N 2 2 349.400 4.026 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040961 1027405225 /nfs/dbraw/zinc/40/52/25/1027405225.db2.gz PKKCDFHRCBZVRT-DLRXZHIHSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040961 1027405242 /nfs/dbraw/zinc/40/52/42/1027405242.db2.gz PKKCDFHRCBZVRT-DLRXZHIHSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040961 1027405247 /nfs/dbraw/zinc/40/52/47/1027405247.db2.gz PKKCDFHRCBZVRT-DLRXZHIHSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040961 1027405250 /nfs/dbraw/zinc/40/52/50/1027405250.db2.gz PKKCDFHRCBZVRT-DLRXZHIHSA-N 2 2 336.470 4.200 20 0 EIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474705735 1027421888 /nfs/dbraw/zinc/42/18/88/1027421888.db2.gz DQKTVEBNEVTWNG-BZUAXINKSA-N 2 2 331.529 4.252 20 0 EIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474705735 1027421899 /nfs/dbraw/zinc/42/18/99/1027421899.db2.gz DQKTVEBNEVTWNG-BZUAXINKSA-N 2 2 331.529 4.252 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444670725 1027951840 /nfs/dbraw/zinc/95/18/40/1027951840.db2.gz XBTYSBDLXNWRJZ-UHFFFAOYSA-N 2 2 332.517 4.218 20 0 EIADLP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046650 1028101104 /nfs/dbraw/zinc/10/11/04/1028101104.db2.gz OSCJUPNHWQIQDC-RWQQGDIJSA-N 2 2 348.481 4.405 20 0 EIADLP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046650 1028101111 /nfs/dbraw/zinc/10/11/11/1028101111.db2.gz OSCJUPNHWQIQDC-RWQQGDIJSA-N 2 2 348.481 4.405 20 0 EIADLP CC(C)(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655693911 1028173115 /nfs/dbraw/zinc/17/31/15/1028173115.db2.gz ARCIPTCGQCHSPN-PMACEKPBSA-N 2 2 348.506 4.146 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000346143585 1028280278 /nfs/dbraw/zinc/28/02/78/1028280278.db2.gz DRGRLANFJFMIMV-GOSISDBHSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000346143585 1028280308 /nfs/dbraw/zinc/28/03/08/1028280308.db2.gz DRGRLANFJFMIMV-GOSISDBHSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000346143585 1028280327 /nfs/dbraw/zinc/28/03/27/1028280327.db2.gz DRGRLANFJFMIMV-GOSISDBHSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3c3ccccc3)sc2C1 ZINC000346143585 1028280346 /nfs/dbraw/zinc/28/03/46/1028280346.db2.gz DRGRLANFJFMIMV-GOSISDBHSA-N 2 2 341.524 4.247 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3c3cccs3)sc2C1 ZINC000346171807 1028305633 /nfs/dbraw/zinc/30/56/33/1028305633.db2.gz BKGDVJWZGPUIJA-HNNXBMFYSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3c3cccs3)sc2C1 ZINC000346171807 1028305655 /nfs/dbraw/zinc/30/56/55/1028305655.db2.gz BKGDVJWZGPUIJA-HNNXBMFYSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3c3cccs3)sc2C1 ZINC000346171807 1028305676 /nfs/dbraw/zinc/30/56/76/1028305676.db2.gz BKGDVJWZGPUIJA-HNNXBMFYSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]3c3cccs3)sc2C1 ZINC000346171807 1028305698 /nfs/dbraw/zinc/30/56/98/1028305698.db2.gz BKGDVJWZGPUIJA-HNNXBMFYSA-N 2 2 347.553 4.308 20 0 EIADLP Fc1cc(C[NH2+][C@H](c2cccnc2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000281010275 1028337275 /nfs/dbraw/zinc/33/72/75/1028337275.db2.gz YLWNYGWJVICRAX-FQEVSTJZSA-N 2 2 336.414 4.037 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304952 1028375755 /nfs/dbraw/zinc/37/57/55/1028375755.db2.gz CXGCXEOQGVMKOE-CXAGYDPISA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304952 1028375777 /nfs/dbraw/zinc/37/57/77/1028375777.db2.gz CXGCXEOQGVMKOE-CXAGYDPISA-N 2 2 337.389 4.293 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125880803 1028492476 /nfs/dbraw/zinc/49/24/76/1028492476.db2.gz VIDXWLZWTRPVAP-NRFANRHFSA-N 2 2 348.494 4.129 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125880803 1028492487 /nfs/dbraw/zinc/49/24/87/1028492487.db2.gz VIDXWLZWTRPVAP-NRFANRHFSA-N 2 2 348.494 4.129 20 0 EIADLP Cc1nc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)s1 ZINC000346563904 1028497436 /nfs/dbraw/zinc/49/74/36/1028497436.db2.gz MNHDZECBULJODS-HUUCEWRRSA-N 2 2 343.540 4.006 20 0 EIADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)s1 ZINC000346563910 1028497604 /nfs/dbraw/zinc/49/76/04/1028497604.db2.gz MNHDZECBULJODS-QVDMIQRCSA-N 2 2 343.540 4.006 20 0 EIADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)s1 ZINC000346563910 1028497641 /nfs/dbraw/zinc/49/76/41/1028497641.db2.gz MNHDZECBULJODS-QVDMIQRCSA-N 2 2 343.540 4.006 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnc2ccsc2c1 ZINC000162902647 1028534041 /nfs/dbraw/zinc/53/40/41/1028534041.db2.gz BZLHYRFHXFDWCH-CQSZACIVSA-N 2 2 326.469 4.234 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156829125 1028850316 /nfs/dbraw/zinc/85/03/16/1028850316.db2.gz UBHAOQZXALCEBG-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP Fc1cccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000151111944 1029067292 /nfs/dbraw/zinc/06/72/92/1029067292.db2.gz PLRHRSFUHOIREX-FQEVSTJZSA-N 2 2 341.405 4.125 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC000192750055 1029376159 /nfs/dbraw/zinc/37/61/59/1029376159.db2.gz AJONHNHLPUIZRE-LSDHHAIUSA-N 2 2 335.407 4.013 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000192838043 1029425073 /nfs/dbraw/zinc/42/50/73/1029425073.db2.gz UDABRLZYAWWAMP-JOCHJYFZSA-N 2 2 336.479 4.001 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151306858 1029472446 /nfs/dbraw/zinc/47/24/46/1029472446.db2.gz INCYSPXAXGHZJP-OPAMFIHVSA-N 2 2 349.453 4.484 20 0 EIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000475277808 1029483798 /nfs/dbraw/zinc/48/37/98/1029483798.db2.gz HGOLZNGXQQDBMH-KRWDZBQOSA-N 2 2 343.540 4.052 20 0 EIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000475277808 1029483805 /nfs/dbraw/zinc/48/38/05/1029483805.db2.gz HGOLZNGXQQDBMH-KRWDZBQOSA-N 2 2 343.540 4.052 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000151351747 1029496694 /nfs/dbraw/zinc/49/66/94/1029496694.db2.gz YLMSEJZKPZPZMM-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1C ZINC000525207853 1029514514 /nfs/dbraw/zinc/51/45/14/1029514514.db2.gz RFDBKVYVIQJXKK-YOEHRIQHSA-N 2 2 336.907 4.234 20 0 EIADLP C[C@H]1CCC[C@@H](C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475330649 1029540469 /nfs/dbraw/zinc/54/04/69/1029540469.db2.gz CQAZQOCUMHVUIS-HOBHPSKFSA-N 2 2 332.454 4.208 20 0 EIADLP Fc1ccc([C@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000475337099 1029551953 /nfs/dbraw/zinc/55/19/53/1029551953.db2.gz PNVGRKGYBKTOBW-DOTOQJQBSA-N 2 2 341.455 4.499 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475332799 1029560011 /nfs/dbraw/zinc/56/00/11/1029560011.db2.gz KOEXKZYKHGEYDO-PKSQDBQZSA-N 2 2 346.359 4.112 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351880 1029570194 /nfs/dbraw/zinc/57/01/94/1029570194.db2.gz MXNWKNCVADQVTE-KUQKPQIMSA-N 2 2 344.465 4.374 20 0 EIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1C(C)(C)C1(C)C ZINC000475354999 1029571206 /nfs/dbraw/zinc/57/12/06/1029571206.db2.gz UILRYSULPRYBRG-GRTSSRMGSA-N 2 2 346.481 4.452 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC ZINC000359946438 1029604913 /nfs/dbraw/zinc/60/49/13/1029604913.db2.gz ZSWCWPHQNBBUEO-OTWHNJEPSA-N 2 2 346.515 4.152 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC ZINC000359946438 1029604918 /nfs/dbraw/zinc/60/49/18/1029604918.db2.gz ZSWCWPHQNBBUEO-OTWHNJEPSA-N 2 2 346.515 4.152 20 0 EIADLP CC[N@@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H](C)C1 ZINC000446925010 1029642044 /nfs/dbraw/zinc/64/20/44/1029642044.db2.gz LCVUOLBWAQSNAR-OXJNMPFZSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H](C)C1 ZINC000446925010 1029642052 /nfs/dbraw/zinc/64/20/52/1029642052.db2.gz LCVUOLBWAQSNAR-OXJNMPFZSA-N 2 2 338.499 4.029 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657836103 1029692643 /nfs/dbraw/zinc/69/26/43/1029692643.db2.gz YFWKOFZHQYBNGB-KRWDZBQOSA-N 2 2 349.478 4.186 20 0 EIADLP Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301554541 1029759215 /nfs/dbraw/zinc/75/92/15/1029759215.db2.gz ROPFJWKENICSDF-GOSISDBHSA-N 2 2 330.520 4.001 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301704121 1029793018 /nfs/dbraw/zinc/79/30/18/1029793018.db2.gz HRAJMCHHRZJINV-AWEZNQCLSA-N 2 2 340.858 4.081 20 0 EIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479662 1029887334 /nfs/dbraw/zinc/88/73/34/1029887334.db2.gz YSVLNHKVTILWKT-LBPRGKRZSA-N 2 2 346.356 4.361 20 0 EIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Oc1cccnc1 ZINC000092072961 1029899620 /nfs/dbraw/zinc/89/96/20/1029899620.db2.gz SQRBVBWPQOOVLG-GOSISDBHSA-N 2 2 348.450 4.285 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Oc1cccnc1 ZINC000092072961 1029899626 /nfs/dbraw/zinc/89/96/26/1029899626.db2.gz SQRBVBWPQOOVLG-GOSISDBHSA-N 2 2 348.450 4.285 20 0 EIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC2=CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000450795163 1029986273 /nfs/dbraw/zinc/98/62/73/1029986273.db2.gz SWOFJTQGDDUQOY-PZJWPPBQSA-N 2 2 344.547 4.015 20 0 EIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC2=CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000450795163 1029986289 /nfs/dbraw/zinc/98/62/89/1029986289.db2.gz SWOFJTQGDDUQOY-PZJWPPBQSA-N 2 2 344.547 4.015 20 0 EIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC2=CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000450795163 1029986312 /nfs/dbraw/zinc/98/63/12/1029986312.db2.gz SWOFJTQGDDUQOY-PZJWPPBQSA-N 2 2 344.547 4.015 20 0 EIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC2=CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000450795163 1029986325 /nfs/dbraw/zinc/98/63/25/1029986325.db2.gz SWOFJTQGDDUQOY-PZJWPPBQSA-N 2 2 344.547 4.015 20 0 EIADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C(C)(C)C(F)F ZINC000657876685 1030146723 /nfs/dbraw/zinc/14/67/23/1030146723.db2.gz GWXVQMZODPWANN-AWEZNQCLSA-N 2 2 334.520 4.008 20 0 EIADLP Cc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)s1 ZINC000525997850 1030161949 /nfs/dbraw/zinc/16/19/49/1030161949.db2.gz DSJXHQZXLBGYIH-UHFFFAOYSA-N 2 2 346.462 4.260 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220312 1030217282 /nfs/dbraw/zinc/21/72/82/1030217282.db2.gz NMUBORVEJWTKTR-RHSMWYFYSA-N 2 2 341.524 4.362 20 0 EIADLP Fc1cccc(Cl)c1CCC[NH2+]CCCCNc1cccc[nH+]1 ZINC000447823792 1030346799 /nfs/dbraw/zinc/34/67/99/1030346799.db2.gz WNQDIXHDXVHGOM-UHFFFAOYSA-N 2 2 335.854 4.289 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3ccc4cnccc4c3)CC2)c[nH+]1 ZINC000685459565 1030358454 /nfs/dbraw/zinc/35/84/54/1030358454.db2.gz JVJMPOBIQJAJCC-UHFFFAOYSA-N 2 2 334.467 4.124 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2cnccc2o1 ZINC000657901420 1030406281 /nfs/dbraw/zinc/40/62/81/1030406281.db2.gz TXIKPSIPWIIKNL-ZWOKBUDYSA-N 2 2 349.478 4.389 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2cnccc2o1 ZINC000657901420 1030406294 /nfs/dbraw/zinc/40/62/94/1030406294.db2.gz TXIKPSIPWIIKNL-ZWOKBUDYSA-N 2 2 349.478 4.389 20 0 EIADLP CC(C)(C)c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)no1 ZINC000685561308 1030510599 /nfs/dbraw/zinc/51/05/99/1030510599.db2.gz MFDJDRLHUYPGNQ-UHFFFAOYSA-N 2 2 333.520 4.060 20 0 EIADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccsc2)CC1 ZINC000009256703 1030540557 /nfs/dbraw/zinc/54/05/57/1030540557.db2.gz JYAROFUIVULTOV-UHFFFAOYSA-N 2 2 343.883 4.272 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000685629642 1030593708 /nfs/dbraw/zinc/59/37/08/1030593708.db2.gz BKAIVFATDTUSQS-MRVPVSSYSA-N 2 2 330.646 4.017 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(OC)cc1 ZINC000192147890 1030674125 /nfs/dbraw/zinc/67/41/25/1030674125.db2.gz NUTRXDPMAMTXCC-NRFANRHFSA-N 2 2 335.451 4.430 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109849 1030700804 /nfs/dbraw/zinc/70/08/04/1030700804.db2.gz CPLUTDVYPDDFOV-XMSQKQJNSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000398109849 1030700831 /nfs/dbraw/zinc/70/08/31/1030700831.db2.gz CPLUTDVYPDDFOV-XMSQKQJNSA-N 2 2 345.490 4.235 20 0 EIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000192948429 1030727134 /nfs/dbraw/zinc/72/71/34/1030727134.db2.gz PNUANWKCLAYRNI-JKSUJKDBSA-N 2 2 348.450 4.243 20 0 EIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C(F)F ZINC000657998992 1030769085 /nfs/dbraw/zinc/76/90/85/1030769085.db2.gz QPVXCKQRYSMTAO-PKSQDBQZSA-N 2 2 342.396 4.061 20 0 EIADLP Clc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1-c1ccccc1 ZINC000527695105 1030816395 /nfs/dbraw/zinc/81/63/95/1030816395.db2.gz MHCBKTFVFOUXDY-KRWDZBQOSA-N 2 2 337.854 4.308 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527772269 1030851881 /nfs/dbraw/zinc/85/18/81/1030851881.db2.gz NUEJLIQNVGMDLD-QHCPKHFHSA-N 2 2 349.522 4.220 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143719 1030918500 /nfs/dbraw/zinc/91/85/00/1030918500.db2.gz XORFKNTVGPZHPF-YOEHRIQHSA-N 2 2 347.890 4.300 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143719 1030918515 /nfs/dbraw/zinc/91/85/15/1030918515.db2.gz XORFKNTVGPZHPF-YOEHRIQHSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143719 1030918535 /nfs/dbraw/zinc/91/85/35/1030918535.db2.gz XORFKNTVGPZHPF-YOEHRIQHSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000531143719 1030918561 /nfs/dbraw/zinc/91/85/61/1030918561.db2.gz XORFKNTVGPZHPF-YOEHRIQHSA-N 2 2 347.890 4.300 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000658292851 1030960961 /nfs/dbraw/zinc/96/09/61/1030960961.db2.gz CDRCWNKCOPJWNO-KNQAVFIVSA-N 2 2 338.495 4.134 20 0 EIADLP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527967887 1031010748 /nfs/dbraw/zinc/01/07/48/1031010748.db2.gz NFZPBKLDKIPQAY-IIBYNOLFSA-N 2 2 332.451 4.459 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cn1 ZINC000528045186 1031079858 /nfs/dbraw/zinc/07/98/58/1031079858.db2.gz YDJJPCGZKFZJKT-BTYIYWSLSA-N 2 2 348.450 4.078 20 0 EIADLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000628230345 1031248306 /nfs/dbraw/zinc/24/83/06/1031248306.db2.gz DBHXWANWJURFBE-OALUTQOASA-N 2 2 337.511 4.309 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589651 1031320455 /nfs/dbraw/zinc/32/04/55/1031320455.db2.gz ROVIOMMRJWFCJD-VQIMIIECSA-N 2 2 330.516 4.119 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589651 1031320469 /nfs/dbraw/zinc/32/04/69/1031320469.db2.gz ROVIOMMRJWFCJD-VQIMIIECSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589651 1031320487 /nfs/dbraw/zinc/32/04/87/1031320487.db2.gz ROVIOMMRJWFCJD-VQIMIIECSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C ZINC000532589651 1031320505 /nfs/dbraw/zinc/32/05/05/1031320505.db2.gz ROVIOMMRJWFCJD-VQIMIIECSA-N 2 2 330.516 4.119 20 0 EIADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000375838366 1031342190 /nfs/dbraw/zinc/34/21/90/1031342190.db2.gz IXNZNMSUZYKNMH-HUUCEWRRSA-N 2 2 347.890 4.390 20 0 EIADLP COc1cc2ccccc2cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449080421 1031434571 /nfs/dbraw/zinc/43/45/71/1031434571.db2.gz VZXYBPCPMVNRTG-UHFFFAOYSA-N 2 2 347.462 4.002 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684400 1031475162 /nfs/dbraw/zinc/47/51/62/1031475162.db2.gz CXCKKKXBCVABBV-CABCVRRESA-N 2 2 328.485 4.055 20 0 EIADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CCC1 ZINC000449155198 1031483461 /nfs/dbraw/zinc/48/34/61/1031483461.db2.gz KNYXFAHVINABJS-YLJYHZDGSA-N 2 2 330.516 4.055 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453100443 1031558339 /nfs/dbraw/zinc/55/83/39/1031558339.db2.gz WYOCUPYYXFXENY-QGZVFWFLSA-N 2 2 339.483 4.399 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C2CC2)C2CCC2)CCOCC1)c1ccccc1 ZINC000453106833 1031598733 /nfs/dbraw/zinc/59/87/33/1031598733.db2.gz FPEWBYHYXBJXGA-UTKZUKDTSA-N 2 2 342.527 4.055 20 0 EIADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000449296098 1031605415 /nfs/dbraw/zinc/60/54/15/1031605415.db2.gz XTINKIVAAOABIE-KTQJEEDSSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000126459162 1031647089 /nfs/dbraw/zinc/64/70/89/1031647089.db2.gz ZDJWAQGHDHTPDX-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000126490126 1031651804 /nfs/dbraw/zinc/65/18/04/1031651804.db2.gz NLTPJUHACZSORZ-SFHVURJKSA-N 2 2 340.858 4.470 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccncc1 ZINC000453168972 1031674733 /nfs/dbraw/zinc/67/47/33/1031674733.db2.gz KCHMGJHRSOYZGI-LEWJYISDSA-N 2 2 334.467 4.377 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453217761 1031734561 /nfs/dbraw/zinc/73/45/61/1031734561.db2.gz JHQNVEXHNATKOF-DOTOQJQBSA-N 2 2 335.476 4.412 20 0 EIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000453334219 1031859414 /nfs/dbraw/zinc/85/94/14/1031859414.db2.gz CGKGXQPOWBQDMH-PLTIAYLTSA-N 2 2 337.305 4.115 20 0 EIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000453334219 1031859426 /nfs/dbraw/zinc/85/94/26/1031859426.db2.gz CGKGXQPOWBQDMH-PLTIAYLTSA-N 2 2 337.305 4.115 20 0 EIADLP CC(C)CCc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]c1 ZINC000449706141 1031952978 /nfs/dbraw/zinc/95/29/78/1031952978.db2.gz ADIOLYMFBVKYJB-UHFFFAOYSA-N 2 2 338.499 4.142 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894061271 1033297599 /nfs/dbraw/zinc/29/75/99/1033297599.db2.gz IUAZKOZTYZZHGX-UCMJJCQDSA-N 2 2 326.406 4.203 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894061271 1033297617 /nfs/dbraw/zinc/29/76/17/1033297617.db2.gz IUAZKOZTYZZHGX-UCMJJCQDSA-N 2 2 326.406 4.203 20 0 EIADLP [NH2+]=C(Nc1ccc(-c2ccccc2)cc1C(F)(F)F)SCC[NH3+] ZINC001167914907 1033414665 /nfs/dbraw/zinc/41/46/65/1033414665.db2.gz BHGRLLHNTGIKSL-UHFFFAOYSA-N 2 2 339.386 4.411 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152111391 1033519348 /nfs/dbraw/zinc/51/93/48/1033519348.db2.gz JSIOFPVMDQPUOS-ZWKOTPCHSA-N 2 2 349.478 4.222 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152134111 1033559116 /nfs/dbraw/zinc/55/91/16/1033559116.db2.gz NPUPOIOLXVIUNS-BTYIYWSLSA-N 2 2 335.426 4.094 20 0 EIADLP CC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000236967476 1033836992 /nfs/dbraw/zinc/83/69/92/1033836992.db2.gz IJQQNXGXLHUKMY-MJGOQNOKSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513073814 1034493286 /nfs/dbraw/zinc/49/32/86/1034493286.db2.gz GBDOOWZMHDZXBT-RXVVDRJESA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513073814 1034493307 /nfs/dbraw/zinc/49/33/07/1034493307.db2.gz GBDOOWZMHDZXBT-RXVVDRJESA-N 2 2 345.490 4.378 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000502344245 1036107677 /nfs/dbraw/zinc/10/76/77/1036107677.db2.gz HPERJMZFECPQRS-SBHAEUEKSA-N 2 2 335.495 4.203 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000502344245 1036107705 /nfs/dbraw/zinc/10/77/05/1036107705.db2.gz HPERJMZFECPQRS-SBHAEUEKSA-N 2 2 335.495 4.203 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000502431785 1036196429 /nfs/dbraw/zinc/19/64/29/1036196429.db2.gz PFLNPZNRGJTFTO-ZWOKBUDYSA-N 2 2 326.484 4.458 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)oc1C ZINC000502431785 1036196435 /nfs/dbraw/zinc/19/64/35/1036196435.db2.gz PFLNPZNRGJTFTO-ZWOKBUDYSA-N 2 2 326.484 4.458 20 0 EIADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000668574967 1036429758 /nfs/dbraw/zinc/42/97/58/1036429758.db2.gz FDXSYGBDBSKCPJ-UWJYYQICSA-N 2 2 349.478 4.020 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000421820753 1036775840 /nfs/dbraw/zinc/77/58/40/1036775840.db2.gz NPRUIKSWSNYAPK-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000421821365 1036778007 /nfs/dbraw/zinc/77/80/07/1036778007.db2.gz RBKHISDYSAUUTD-AWEZNQCLSA-N 2 2 345.874 4.063 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1ccncc1Cl)[N@H+](C)Cc1ccccc1 ZINC000421829223 1036786418 /nfs/dbraw/zinc/78/64/18/1036786418.db2.gz HCQWTHDKCVKYEU-CVEARBPZSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1ccncc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000421829223 1036786432 /nfs/dbraw/zinc/78/64/32/1036786432.db2.gz HCQWTHDKCVKYEU-CVEARBPZSA-N 2 2 331.891 4.296 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669681838 1036849472 /nfs/dbraw/zinc/84/94/72/1036849472.db2.gz MDJCEESCUVZBGQ-SHRNQRGKSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669681838 1036849474 /nfs/dbraw/zinc/84/94/74/1036849474.db2.gz MDJCEESCUVZBGQ-SHRNQRGKSA-N 2 2 338.417 4.183 20 0 EIADLP Cc1ccc([C@H](C[NH2+]Cc2cccc3[nH]ccc32)[NH+]2CCCC2)cc1 ZINC000589647265 1036859970 /nfs/dbraw/zinc/85/99/70/1036859970.db2.gz QITZDNROKPIVPO-QFIPXVFZSA-N 2 2 333.479 4.403 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C(C)C)cc1 ZINC000271877453 1037044672 /nfs/dbraw/zinc/04/46/72/1037044672.db2.gz RWVLRGRSQLUCED-JOCHJYFZSA-N 2 2 349.478 4.427 20 0 EIADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000271952218 1037062413 /nfs/dbraw/zinc/06/24/13/1037062413.db2.gz CCZNHDLRDIOZCE-XKGZKEIXSA-N 2 2 327.472 4.117 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590612064 1037117151 /nfs/dbraw/zinc/11/71/51/1037117151.db2.gz WYJCRWHVABEDJS-SFHVURJKSA-N 2 2 344.462 4.064 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H](C)C2 ZINC000272310299 1037156944 /nfs/dbraw/zinc/15/69/44/1037156944.db2.gz RJHJFZJNCLENPL-VGOFRKELSA-N 2 2 331.463 4.263 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272315535 1037159596 /nfs/dbraw/zinc/15/95/96/1037159596.db2.gz USZPNYJQTCOGLI-KRWDZBQOSA-N 2 2 338.499 4.094 20 0 EIADLP CC(C)(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000669714421 1037369049 /nfs/dbraw/zinc/36/90/49/1037369049.db2.gz LNUBMYPTICSSNA-GOSISDBHSA-N 2 2 337.511 4.377 20 0 EIADLP CC(C)(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000669714421 1037369068 /nfs/dbraw/zinc/36/90/68/1037369068.db2.gz LNUBMYPTICSSNA-GOSISDBHSA-N 2 2 337.511 4.377 20 0 EIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488429275 1037589598 /nfs/dbraw/zinc/58/95/98/1037589598.db2.gz DRVNHRAGZJYJKN-WMLDXEAASA-N 2 2 333.476 4.021 20 0 EIADLP Clc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866490 1037646186 /nfs/dbraw/zinc/64/61/86/1037646186.db2.gz AEYMBXNSXRCNHT-QGZVFWFLSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591866490 1037646203 /nfs/dbraw/zinc/64/62/03/1037646203.db2.gz AEYMBXNSXRCNHT-QGZVFWFLSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591866732 1037646496 /nfs/dbraw/zinc/64/64/96/1037646496.db2.gz DTHGAKQEDFBRPL-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591866732 1037646503 /nfs/dbraw/zinc/64/65/03/1037646503.db2.gz DTHGAKQEDFBRPL-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000573818996 1037692321 /nfs/dbraw/zinc/69/23/21/1037692321.db2.gz LNSFXQHPYSWVEU-NYVOZVTQSA-N 2 2 345.490 4.256 20 0 EIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379315 1037727224 /nfs/dbraw/zinc/72/72/24/1037727224.db2.gz VGOOKSMVVYWTHE-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379315 1037727243 /nfs/dbraw/zinc/72/72/43/1037727243.db2.gz VGOOKSMVVYWTHE-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380014 1037730879 /nfs/dbraw/zinc/73/08/79/1037730879.db2.gz VIQXHYGZGGHGLQ-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380014 1037730897 /nfs/dbraw/zinc/73/08/97/1037730897.db2.gz VIQXHYGZGGHGLQ-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422743173 1037822674 /nfs/dbraw/zinc/82/26/74/1037822674.db2.gz RAEQHQRRCWZGKK-HWWQOWPSSA-N 2 2 333.476 4.049 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422852464 1037847241 /nfs/dbraw/zinc/84/72/41/1037847241.db2.gz ATVJZJVXVOLHHT-VXKWHMMOSA-N 2 2 338.495 4.024 20 0 EIADLP Fc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(Cl)c2)c1 ZINC000422869511 1037859035 /nfs/dbraw/zinc/85/90/35/1037859035.db2.gz AMJQHUJRDKTUSI-JIRNRHONSA-N 2 2 344.861 4.441 20 0 EIADLP CCOc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2cccc(Cl)c2)cc1 ZINC000423003500 1037896917 /nfs/dbraw/zinc/89/69/17/1037896917.db2.gz MJEABTYSQOPUHV-VBKZILBWSA-N 2 2 344.886 4.026 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395193 1038203992 /nfs/dbraw/zinc/20/39/92/1038203992.db2.gz NGESZXGOKITFQF-VGSWGCGISA-N 2 2 333.479 4.236 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574962 1038221502 /nfs/dbraw/zinc/22/15/02/1038221502.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574962 1038221517 /nfs/dbraw/zinc/22/15/17/1038221517.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574962 1038221536 /nfs/dbraw/zinc/22/15/36/1038221536.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574962 1038221559 /nfs/dbraw/zinc/22/15/59/1038221559.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574953 1038222145 /nfs/dbraw/zinc/22/21/45/1038222145.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574953 1038222171 /nfs/dbraw/zinc/22/21/71/1038222171.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574953 1038222197 /nfs/dbraw/zinc/22/21/97/1038222197.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000172574953 1038222216 /nfs/dbraw/zinc/22/22/16/1038222216.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423571458 1038297873 /nfs/dbraw/zinc/29/78/73/1038297873.db2.gz XOHSBRBWXGEFOR-JSGCOSHPSA-N 2 2 333.476 4.050 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168566 1038366259 /nfs/dbraw/zinc/36/62/59/1038366259.db2.gz XJWDOVWJSQMGBJ-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168566 1038366273 /nfs/dbraw/zinc/36/62/73/1038366273.db2.gz XJWDOVWJSQMGBJ-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(F)cn1 ZINC000490190684 1038380405 /nfs/dbraw/zinc/38/04/05/1038380405.db2.gz LBVAFGMBKPZONY-HXUWFJFHSA-N 2 2 341.474 4.234 20 0 EIADLP CCCc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608068867 1038485183 /nfs/dbraw/zinc/48/51/83/1038485183.db2.gz HMSTXGXNMBIMOF-NRFANRHFSA-N 2 2 333.479 4.446 20 0 EIADLP CC(C)Oc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608071270 1038485549 /nfs/dbraw/zinc/48/55/49/1038485549.db2.gz IVBWFFKSXXOLRZ-OAQYLSRUSA-N 2 2 349.478 4.281 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000608074480 1038497671 /nfs/dbraw/zinc/49/76/71/1038497671.db2.gz SLZCRENSUNDDBU-HXUWFJFHSA-N 2 2 342.446 4.042 20 0 EIADLP CC[N@@H+](Cc1cc(F)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490404240 1038629888 /nfs/dbraw/zinc/62/98/88/1038629888.db2.gz UXMNPVQPHZOFAR-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[N@H+](Cc1cc(F)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490404240 1038629889 /nfs/dbraw/zinc/62/98/89/1038629889.db2.gz UXMNPVQPHZOFAR-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@H]1[NH3+] ZINC000647934889 1038706820 /nfs/dbraw/zinc/70/68/20/1038706820.db2.gz TUZVKRVANMIQEJ-SWLSCSKDSA-N 2 2 335.904 4.023 20 0 EIADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@H]1[NH3+] ZINC000647934889 1038706851 /nfs/dbraw/zinc/70/68/51/1038706851.db2.gz TUZVKRVANMIQEJ-SWLSCSKDSA-N 2 2 335.904 4.023 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000480764913 1038787326 /nfs/dbraw/zinc/78/73/26/1038787326.db2.gz XVTCGKYWBLEIFG-LJQANCHMSA-N 2 2 343.902 4.473 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000480764250 1038788850 /nfs/dbraw/zinc/78/88/50/1038788850.db2.gz IAOJWBHJNXDQIN-UONOGXRCSA-N 2 2 329.444 4.490 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000480757527 1038801189 /nfs/dbraw/zinc/80/11/89/1038801189.db2.gz LUIRLQWZTIHAHY-JHJVBQTASA-N 2 2 342.270 4.024 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000424322176 1038804147 /nfs/dbraw/zinc/80/41/47/1038804147.db2.gz UZYACOCZIWTTNB-ZIAGYGMSSA-N 2 2 333.863 4.082 20 0 EIADLP COc1ccccc1[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000539164214 1038864388 /nfs/dbraw/zinc/86/43/88/1038864388.db2.gz QMYRITRMEPQKJT-HXUWFJFHSA-N 2 2 327.472 4.193 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+]1C ZINC000552071541 1039098358 /nfs/dbraw/zinc/09/83/58/1039098358.db2.gz NCIXWUOSDYUGET-GDBMZVCRSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+]1C ZINC000552071541 1039098374 /nfs/dbraw/zinc/09/83/74/1039098374.db2.gz NCIXWUOSDYUGET-GDBMZVCRSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071541 1039098394 /nfs/dbraw/zinc/09/83/94/1039098394.db2.gz NCIXWUOSDYUGET-GDBMZVCRSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071541 1039098414 /nfs/dbraw/zinc/09/84/14/1039098414.db2.gz NCIXWUOSDYUGET-GDBMZVCRSA-N 2 2 348.437 4.356 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667070 1039273563 /nfs/dbraw/zinc/27/35/63/1039273563.db2.gz FLIVWFFRORIAGI-CRAIPNDOSA-N 2 2 329.513 4.409 20 0 EIADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000481333298 1039310389 /nfs/dbraw/zinc/31/03/89/1039310389.db2.gz RWSXOIRORFQTRH-GOSISDBHSA-N 2 2 338.495 4.319 20 0 EIADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CCCCC2)n1 ZINC000552247543 1039313619 /nfs/dbraw/zinc/31/36/19/1039313619.db2.gz SSIRKMUTJNCSCX-FQEVSTJZSA-N 2 2 344.547 4.418 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000414844680 1039391808 /nfs/dbraw/zinc/39/18/08/1039391808.db2.gz LCYLRLAHUJDUKD-KRWDZBQOSA-N 2 2 340.496 4.051 20 0 EIADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 ZINC000434660112 1039784567 /nfs/dbraw/zinc/78/45/67/1039784567.db2.gz AYANZKPYULJEIL-UHFFFAOYSA-N 2 2 349.503 4.400 20 0 EIADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122789307 1039794617 /nfs/dbraw/zinc/79/46/17/1039794617.db2.gz MKFHFLILLIFTCW-IRXDYDNUSA-N 2 2 335.451 4.250 20 0 EIADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861828 1039829697 /nfs/dbraw/zinc/82/96/97/1039829697.db2.gz WNLACPDCXIHXBO-SFHVURJKSA-N 2 2 327.859 4.299 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000481975827 1039923480 /nfs/dbraw/zinc/92/34/80/1039923480.db2.gz UATREQXIUYUMCP-CYBMUJFWSA-N 2 2 344.421 4.342 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCO2 ZINC000098173035 1039947092 /nfs/dbraw/zinc/94/70/92/1039947092.db2.gz QSGNQXWXGPBJBT-IBGZPJMESA-N 2 2 337.398 4.015 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000482135641 1040029586 /nfs/dbraw/zinc/02/95/86/1040029586.db2.gz ODFNROSEDGNLCP-IKGGRYGDSA-N 2 2 329.488 4.379 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000482166296 1040056430 /nfs/dbraw/zinc/05/64/30/1040056430.db2.gz SWUHSYMFBNNDCV-YJBOKZPZSA-N 2 2 347.528 4.393 20 0 EIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1([NH+](C)C)CCC1 ZINC000551287650 1040157662 /nfs/dbraw/zinc/15/76/62/1040157662.db2.gz ABLWKFJLTKUKDD-INIZCTEOSA-N 2 2 327.516 4.298 20 0 EIADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479499015 1040409437 /nfs/dbraw/zinc/40/94/37/1040409437.db2.gz HEKFCDKCNXVAPL-AMAMARKHSA-N 2 2 332.454 4.206 20 0 EIADLP CCOc1cccc2cc([C@@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)oc21 ZINC000479519927 1040436713 /nfs/dbraw/zinc/43/67/13/1040436713.db2.gz XNTJXDJFHKFRIR-FAEJEUNOSA-N 2 2 342.483 4.499 20 0 EIADLP Cc1cc2[nH]c(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc2c(C)c1 ZINC000479546743 1040450765 /nfs/dbraw/zinc/45/07/65/1040450765.db2.gz XLFHMSDHCGQJFK-UHFFFAOYSA-N 2 2 344.462 4.319 20 0 EIADLP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC001168357496 1040539328 /nfs/dbraw/zinc/53/93/28/1040539328.db2.gz CJEZCWCKDCPRBQ-UHFFFAOYSA-N 2 2 346.824 4.323 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000551779493 1040583878 /nfs/dbraw/zinc/58/38/78/1040583878.db2.gz ZZTNIPARZMTFMI-ULQDDVLXSA-N 2 2 349.400 4.143 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000483141134 1040733581 /nfs/dbraw/zinc/73/35/81/1040733581.db2.gz FZBSQXSGLHQORU-HDAAZOAOSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000483141134 1040733598 /nfs/dbraw/zinc/73/35/98/1040733598.db2.gz FZBSQXSGLHQORU-HDAAZOAOSA-N 2 2 329.532 4.098 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000479878600 1040741570 /nfs/dbraw/zinc/74/15/70/1040741570.db2.gz CLFBMNZNCMBQHL-NRFANRHFSA-N 2 2 333.479 4.168 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000479878600 1040741582 /nfs/dbraw/zinc/74/15/82/1040741582.db2.gz CLFBMNZNCMBQHL-NRFANRHFSA-N 2 2 333.479 4.168 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816806 1040808885 /nfs/dbraw/zinc/80/88/85/1040808885.db2.gz DIRFXEZYNUPJKL-SWLSCSKDSA-N 2 2 345.314 4.307 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816806 1040808886 /nfs/dbraw/zinc/80/88/86/1040808886.db2.gz DIRFXEZYNUPJKL-SWLSCSKDSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816806 1040808890 /nfs/dbraw/zinc/80/88/90/1040808890.db2.gz DIRFXEZYNUPJKL-SWLSCSKDSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816806 1040808894 /nfs/dbraw/zinc/80/88/94/1040808894.db2.gz DIRFXEZYNUPJKL-SWLSCSKDSA-N 2 2 345.314 4.307 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000539837885 1040816453 /nfs/dbraw/zinc/81/64/53/1040816453.db2.gz BGUHBGKJHWQDPD-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000539837885 1040816459 /nfs/dbraw/zinc/81/64/59/1040816459.db2.gz BGUHBGKJHWQDPD-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837885 1040816460 /nfs/dbraw/zinc/81/64/60/1040816460.db2.gz BGUHBGKJHWQDPD-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCc2ccccc2)CC[NH+]1C ZINC000539837885 1040816461 /nfs/dbraw/zinc/81/64/61/1040816461.db2.gz BGUHBGKJHWQDPD-WIYYLYMNSA-N 2 2 338.495 4.180 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(C(F)(F)F)c1 ZINC000924646543 1040867735 /nfs/dbraw/zinc/86/77/35/1040867735.db2.gz UUMOEZGXHJWZKX-LLVKDONJSA-N 2 2 343.418 4.193 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCOCC1 ZINC000537948644 1040912976 /nfs/dbraw/zinc/91/29/76/1040912976.db2.gz WBKLRMYTJRVXSD-LEWJYISDSA-N 2 2 341.499 4.036 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000462783365 1040922282 /nfs/dbraw/zinc/92/22/82/1040922282.db2.gz NJYQBCKCGJKAQU-CIAFKFPVSA-N 2 2 344.543 4.254 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483713727 1040983906 /nfs/dbraw/zinc/98/39/06/1040983906.db2.gz NNGJJDJMGOZXBT-RVKKMQEKSA-N 2 2 343.540 4.176 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483713727 1040983923 /nfs/dbraw/zinc/98/39/23/1040983923.db2.gz NNGJJDJMGOZXBT-RVKKMQEKSA-N 2 2 343.540 4.176 20 0 EIADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000554375590 1041061738 /nfs/dbraw/zinc/06/17/38/1041061738.db2.gz SEGPSLKULUCISA-FJBKBRRZSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000484071999 1041108410 /nfs/dbraw/zinc/10/84/10/1041108410.db2.gz SVXMOIHWBXDPFH-IBGZPJMESA-N 2 2 347.462 4.082 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000484071999 1041108420 /nfs/dbraw/zinc/10/84/20/1041108420.db2.gz SVXMOIHWBXDPFH-IBGZPJMESA-N 2 2 347.462 4.082 20 0 EIADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480250536 1041129322 /nfs/dbraw/zinc/12/93/22/1041129322.db2.gz RMMWANYPJXZPHT-HNNXBMFYSA-N 2 2 339.405 4.185 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000484273501 1041187214 /nfs/dbraw/zinc/18/72/14/1041187214.db2.gz FFURLEPPJPEPJK-ZDUSSCGKSA-N 2 2 339.361 4.133 20 0 EIADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c2ccccc12 ZINC000484288318 1041196870 /nfs/dbraw/zinc/19/68/70/1041196870.db2.gz DQDCRUNXYMTWAK-INIZCTEOSA-N 2 2 335.451 4.396 20 0 EIADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000515918747 1041262751 /nfs/dbraw/zinc/26/27/51/1041262751.db2.gz SWJZSFJHKYMXLV-CQSZACIVSA-N 2 2 337.389 4.296 20 0 EIADLP Clc1cccc(Cl)c1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000554741999 1041372008 /nfs/dbraw/zinc/37/20/08/1041372008.db2.gz AHNWEWHTIJMHAT-UHFFFAOYSA-N 2 2 338.282 4.460 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463208587 1041419962 /nfs/dbraw/zinc/41/99/62/1041419962.db2.gz XOVOXKNCPMLHOB-IRLDBZIGSA-N 3 2 345.575 4.138 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000463208587 1041419968 /nfs/dbraw/zinc/41/99/68/1041419968.db2.gz XOVOXKNCPMLHOB-IRLDBZIGSA-N 3 2 345.575 4.138 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463208588 1041420384 /nfs/dbraw/zinc/42/03/84/1041420384.db2.gz XOVOXKNCPMLHOB-RBBKRZOGSA-N 3 2 345.575 4.138 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463208588 1041420388 /nfs/dbraw/zinc/42/03/88/1041420388.db2.gz XOVOXKNCPMLHOB-RBBKRZOGSA-N 3 2 345.575 4.138 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463245266 1041451213 /nfs/dbraw/zinc/45/12/13/1041451213.db2.gz QXAAIFVKPUHPKU-RXVVDRJESA-N 2 2 349.522 4.103 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463245266 1041451218 /nfs/dbraw/zinc/45/12/18/1041451218.db2.gz QXAAIFVKPUHPKU-RXVVDRJESA-N 2 2 349.522 4.103 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000480666394 1041460412 /nfs/dbraw/zinc/46/04/12/1041460412.db2.gz DWTMGTNLOBNSAT-PGRDOPGGSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000480666394 1041460417 /nfs/dbraw/zinc/46/04/17/1041460417.db2.gz DWTMGTNLOBNSAT-PGRDOPGGSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000480666391 1041460802 /nfs/dbraw/zinc/46/08/02/1041460802.db2.gz DWTMGTNLOBNSAT-AVRDEDQJSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000480666391 1041460805 /nfs/dbraw/zinc/46/08/05/1041460805.db2.gz DWTMGTNLOBNSAT-AVRDEDQJSA-N 2 2 337.511 4.205 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719498 1041489718 /nfs/dbraw/zinc/48/97/18/1041489718.db2.gz PFNMBUZFNAIXSR-YJBOKZPZSA-N 2 2 335.561 4.353 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719498 1041489721 /nfs/dbraw/zinc/48/97/21/1041489721.db2.gz PFNMBUZFNAIXSR-YJBOKZPZSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719498 1041489726 /nfs/dbraw/zinc/48/97/26/1041489726.db2.gz PFNMBUZFNAIXSR-YJBOKZPZSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000538719498 1041489732 /nfs/dbraw/zinc/48/97/32/1041489732.db2.gz PFNMBUZFNAIXSR-YJBOKZPZSA-N 2 2 335.561 4.353 20 0 EIADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000540511904 1041509578 /nfs/dbraw/zinc/50/95/78/1041509578.db2.gz QGSCVZQVKHQHMJ-UHFFFAOYSA-N 2 2 326.271 4.491 20 0 EIADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000540511904 1041509588 /nfs/dbraw/zinc/50/95/88/1041509588.db2.gz QGSCVZQVKHQHMJ-UHFFFAOYSA-N 2 2 326.271 4.491 20 0 EIADLP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000437107247 1041651633 /nfs/dbraw/zinc/65/16/33/1041651633.db2.gz ANNFELOGRFCNPW-CZUORRHYSA-N 2 2 325.378 4.500 20 0 EIADLP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000540982901 1041765388 /nfs/dbraw/zinc/76/53/88/1041765388.db2.gz QKSJULFSSBFLJG-UHFFFAOYSA-N 2 2 345.531 4.146 20 0 EIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC000517543008 1042065887 /nfs/dbraw/zinc/06/58/87/1042065887.db2.gz VZRWVCHRCOKKRK-IAGOWNOFSA-N 2 2 344.524 4.004 20 0 EIADLP Cc1ccc2cc([C@@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)oc2c1 ZINC000425954340 1042067908 /nfs/dbraw/zinc/06/79/08/1042067908.db2.gz ZCYZLUICKNIHFU-MRXNPFEDSA-N 2 2 335.451 4.456 20 0 EIADLP COc1ccc(Cl)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132113 1042303873 /nfs/dbraw/zinc/30/38/73/1042303873.db2.gz KTGCLHIJYYUSMK-UHFFFAOYSA-N 2 2 347.890 4.238 20 0 EIADLP c1cn(CCCC2CC[NH+](CCSc3ccccc3)CC2)c[nH+]1 ZINC000542133266 1042305349 /nfs/dbraw/zinc/30/53/49/1042305349.db2.gz RSLJJMOSAGYHFK-UHFFFAOYSA-N 2 2 329.513 4.168 20 0 EIADLP [NH3+]C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000414947266 1042333770 /nfs/dbraw/zinc/33/37/70/1042333770.db2.gz VYWKJXQMYDYNEM-QHCPKHFHSA-N 2 2 345.490 4.098 20 0 EIADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000414947265 1042334106 /nfs/dbraw/zinc/33/41/06/1042334106.db2.gz VYWKJXQMYDYNEM-HSZRJFAPSA-N 2 2 345.490 4.098 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000506380815 1042369999 /nfs/dbraw/zinc/36/99/99/1042369999.db2.gz KINDVSOZLGPFME-UHFFFAOYSA-N 2 2 330.516 4.313 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000506380815 1042370007 /nfs/dbraw/zinc/37/00/07/1042370007.db2.gz KINDVSOZLGPFME-UHFFFAOYSA-N 2 2 330.516 4.313 20 0 EIADLP CC(C)CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000506496363 1042513065 /nfs/dbraw/zinc/51/30/65/1042513065.db2.gz QUTJDEJPKQAPGA-UHFFFAOYSA-N 2 2 330.516 4.172 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000295864494 1042530574 /nfs/dbraw/zinc/53/05/74/1042530574.db2.gz GSACNEXFLXDOQC-IAGOWNOFSA-N 2 2 337.467 4.009 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccccc2)cn1 ZINC000295864494 1042530579 /nfs/dbraw/zinc/53/05/79/1042530579.db2.gz GSACNEXFLXDOQC-IAGOWNOFSA-N 2 2 337.467 4.009 20 0 EIADLP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccncc2)cc1 ZINC001167963871 1042545729 /nfs/dbraw/zinc/54/57/29/1042545729.db2.gz GPSRNKNDBGZQSY-WVUPVLJSSA-N 2 2 347.506 4.166 20 0 EIADLP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccncc2)cc1 ZINC001167963871 1042545733 /nfs/dbraw/zinc/54/57/33/1042545733.db2.gz GPSRNKNDBGZQSY-WVUPVLJSSA-N 2 2 347.506 4.166 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000506688632 1042776359 /nfs/dbraw/zinc/77/63/59/1042776359.db2.gz IQBAIJQOYOEXMX-UHFFFAOYSA-N 2 2 334.410 4.141 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000506688632 1042776366 /nfs/dbraw/zinc/77/63/66/1042776366.db2.gz IQBAIJQOYOEXMX-UHFFFAOYSA-N 2 2 334.410 4.141 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000177291428 1042833747 /nfs/dbraw/zinc/83/37/47/1042833747.db2.gz CNAFVFPBZIIZKL-QGZVFWFLSA-N 2 2 331.463 4.487 20 0 EIADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000177487792 1042839455 /nfs/dbraw/zinc/83/94/55/1042839455.db2.gz ANKWZSVBZPPVNY-AWEZNQCLSA-N 2 2 342.886 4.019 20 0 EIADLP Fc1cccc(CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000542466024 1042897925 /nfs/dbraw/zinc/89/79/25/1042897925.db2.gz GAIGJEDHQGWFQW-UHFFFAOYSA-N 2 2 341.455 4.280 20 0 EIADLP Fc1cccc(CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000542466024 1042897926 /nfs/dbraw/zinc/89/79/26/1042897926.db2.gz GAIGJEDHQGWFQW-UHFFFAOYSA-N 2 2 341.455 4.280 20 0 EIADLP C[C@H]1CC([NH2+]Cc2ccc(F)cc2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006159 1042994681 /nfs/dbraw/zinc/99/46/81/1042994681.db2.gz MEFFNJXUYHYRSN-HOTGVXAUSA-N 2 2 344.449 4.496 20 0 EIADLP c1nc(C2CC2)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000494951636 1043095225 /nfs/dbraw/zinc/09/52/25/1043095225.db2.gz OXPOXXKIBAITMF-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CC2)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000494951636 1043095244 /nfs/dbraw/zinc/09/52/44/1043095244.db2.gz OXPOXXKIBAITMF-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000536496971 1043122528 /nfs/dbraw/zinc/12/25/28/1043122528.db2.gz IVZYTSHTVMKSHD-GOSISDBHSA-N 2 2 329.875 4.083 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1Cl ZINC000427840122 1043223020 /nfs/dbraw/zinc/22/30/20/1043223020.db2.gz FWYXGRHQMGTMCB-DYVFJYSZSA-N 2 2 336.266 4.246 20 0 EIADLP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856008 1043228101 /nfs/dbraw/zinc/22/81/01/1043228101.db2.gz UVMXUMOVTQMWGQ-QZTJIDSGSA-N 2 2 331.891 4.098 20 0 EIADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(C)cc2)cc1 ZINC000427879113 1043235274 /nfs/dbraw/zinc/23/52/74/1043235274.db2.gz BMIPZURPIJXLGW-FGZHOGPDSA-N 2 2 345.490 4.388 20 0 EIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427872864 1043243786 /nfs/dbraw/zinc/24/37/86/1043243786.db2.gz JZUAKRWXMDANDQ-AEFFLSMTSA-N 2 2 327.472 4.118 20 0 EIADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000186113289 1043247071 /nfs/dbraw/zinc/24/70/71/1043247071.db2.gz HZODEEIWSSGXMB-MRXNPFEDSA-N 2 2 344.524 4.380 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427892404 1043255174 /nfs/dbraw/zinc/25/51/74/1043255174.db2.gz MXJFLIBIZXPIDH-ROUUACIJSA-N 2 2 337.492 4.141 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427892406 1043255269 /nfs/dbraw/zinc/25/52/69/1043255269.db2.gz MXJFLIBIZXPIDH-ZWKOTPCHSA-N 2 2 337.492 4.141 20 0 EIADLP C[C@H](CCC1CC1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000186349495 1043269844 /nfs/dbraw/zinc/26/98/44/1043269844.db2.gz BOFXDBOMEXMKHV-MSOLQXFVSA-N 2 2 330.516 4.055 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000428047502 1043307582 /nfs/dbraw/zinc/30/75/82/1043307582.db2.gz YVYGBMIZZSKGNX-HKUYNNGSSA-N 2 2 341.524 4.117 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000428047502 1043307585 /nfs/dbraw/zinc/30/75/85/1043307585.db2.gz YVYGBMIZZSKGNX-HKUYNNGSSA-N 2 2 341.524 4.117 20 0 EIADLP CCCc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000187332737 1043340644 /nfs/dbraw/zinc/34/06/44/1043340644.db2.gz XZNUULSNLCWYJY-SFHVURJKSA-N 2 2 337.511 4.349 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCCC3(C)C)CC2)cc1 ZINC000766189628 1043398605 /nfs/dbraw/zinc/39/86/05/1043398605.db2.gz GLLPCIWJFIAJRZ-HXUWFJFHSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCC23CCCC3)CCOCC1)c1ccccc1 ZINC000189130640 1043441800 /nfs/dbraw/zinc/44/18/00/1043441800.db2.gz BUDPSHFPDOHLCB-UYAOXDASSA-N 2 2 342.527 4.199 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012605 1043445115 /nfs/dbraw/zinc/44/51/15/1043445115.db2.gz CVZOPQYSLYSQPL-HGKCTWBKSA-N 2 2 344.449 4.496 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012605 1043445124 /nfs/dbraw/zinc/44/51/24/1043445124.db2.gz CVZOPQYSLYSQPL-HGKCTWBKSA-N 2 2 344.449 4.496 20 0 EIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494402354 1043465949 /nfs/dbraw/zinc/46/59/49/1043465949.db2.gz DOPITOHMDLZYFE-NRFANRHFSA-N 2 2 331.463 4.272 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007464 1043491662 /nfs/dbraw/zinc/49/16/62/1043491662.db2.gz OROPCPLEIOLYDB-UWJYYQICSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007464 1043491690 /nfs/dbraw/zinc/49/16/90/1043491690.db2.gz OROPCPLEIOLYDB-UWJYYQICSA-N 2 2 344.474 4.186 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276406 1043581289 /nfs/dbraw/zinc/58/12/89/1043581289.db2.gz BWEGAPQQWKEFCM-YCTMXLSVSA-N 2 2 347.915 4.175 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677352 1043814951 /nfs/dbraw/zinc/81/49/51/1043814951.db2.gz MVNRKYQCBXPFHV-LJQANCHMSA-N 2 2 341.499 4.191 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000474036569 1043847011 /nfs/dbraw/zinc/84/70/11/1043847011.db2.gz PBPBSNFNLCCPJE-FQEVSTJZSA-N 2 2 347.462 4.393 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000442855448 1043876324 /nfs/dbraw/zinc/87/63/24/1043876324.db2.gz QAIOUDWWEDBPBA-HYVNUMGLSA-N 2 2 349.400 4.143 20 0 EIADLP C[C@@H](CCc1ccsc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195837 1044015789 /nfs/dbraw/zinc/01/57/89/1044015789.db2.gz WYVNMMYRTIBSPQ-LPHOPBHVSA-N 2 2 339.508 4.376 20 0 EIADLP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469762604 1044035833 /nfs/dbraw/zinc/03/58/33/1044035833.db2.gz DNRGIGKQUUPWAP-CQSZACIVSA-N 2 2 327.378 4.044 20 0 EIADLP CC[N@H+](Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1)C(C)C ZINC000195253064 1044046887 /nfs/dbraw/zinc/04/68/87/1044046887.db2.gz AUYQPOARVSPSIQ-UHFFFAOYSA-N 2 2 339.483 4.489 20 0 EIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1)C(C)C ZINC000195253064 1044046899 /nfs/dbraw/zinc/04/68/99/1044046899.db2.gz AUYQPOARVSPSIQ-UHFFFAOYSA-N 2 2 339.483 4.489 20 0 EIADLP COc1ccc(CCC[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350342 1044087001 /nfs/dbraw/zinc/08/70/01/1044087001.db2.gz FMJSQNADJOVQNZ-UHFFFAOYSA-N 2 2 341.480 4.007 20 0 EIADLP COc1ccc(CCC[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544350342 1044087015 /nfs/dbraw/zinc/08/70/15/1044087015.db2.gz FMJSQNADJOVQNZ-UHFFFAOYSA-N 2 2 341.480 4.007 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000443414086 1044264890 /nfs/dbraw/zinc/26/48/90/1044264890.db2.gz OBUMGPBRXJPVLD-UHFFFAOYSA-N 2 2 340.433 4.464 20 0 EIADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000347949190 1044337284 /nfs/dbraw/zinc/33/72/84/1044337284.db2.gz HASVIJDTIRLNOS-OAQYLSRUSA-N 2 2 333.435 4.048 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000494931174 1044516180 /nfs/dbraw/zinc/51/61/80/1044516180.db2.gz QKXMTXPBWQNMLC-CAOQBOHGSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000494931174 1044516196 /nfs/dbraw/zinc/51/61/96/1044516196.db2.gz QKXMTXPBWQNMLC-CAOQBOHGSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931174 1044516212 /nfs/dbraw/zinc/51/62/12/1044516212.db2.gz QKXMTXPBWQNMLC-CAOQBOHGSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931174 1044516226 /nfs/dbraw/zinc/51/62/26/1044516226.db2.gz QKXMTXPBWQNMLC-CAOQBOHGSA-N 2 2 335.495 4.080 20 0 EIADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494972271 1044553674 /nfs/dbraw/zinc/55/36/74/1044553674.db2.gz KKVDNMDKQMBIMI-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000494972271 1044553696 /nfs/dbraw/zinc/55/36/96/1044553696.db2.gz KKVDNMDKQMBIMI-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000494972271 1044553715 /nfs/dbraw/zinc/55/37/15/1044553715.db2.gz KKVDNMDKQMBIMI-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000494972271 1044553731 /nfs/dbraw/zinc/55/37/31/1044553731.db2.gz KKVDNMDKQMBIMI-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918842 1044561935 /nfs/dbraw/zinc/56/19/35/1044561935.db2.gz GYQNUHZZDMJKCF-PXNSSMCTSA-N 2 2 349.478 4.372 20 0 EIADLP C[C@H]1CC([NH2+]Cc2ccc(O)cc2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024364 1044615937 /nfs/dbraw/zinc/61/59/37/1044615937.db2.gz FQSDWTKSFKSVKV-HOTGVXAUSA-N 2 2 342.458 4.063 20 0 EIADLP C[C@H]1CC([NH2+]C2(c3cccnc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024772 1044640901 /nfs/dbraw/zinc/64/09/01/1044640901.db2.gz ISEORAMIGPPDGC-ROUUACIJSA-N 2 2 335.495 4.102 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490926 1044757485 /nfs/dbraw/zinc/75/74/85/1044757485.db2.gz VCWTWJDWWZMNQE-CJNGLKHVSA-N 2 2 349.569 4.384 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490926 1044757501 /nfs/dbraw/zinc/75/75/01/1044757501.db2.gz VCWTWJDWWZMNQE-CJNGLKHVSA-N 2 2 349.569 4.384 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000676644493 1044812396 /nfs/dbraw/zinc/81/23/96/1044812396.db2.gz VUKHXICGCBBJJR-KKHYBRAUSA-N 2 2 335.426 4.146 20 0 EIADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390563116 1044884445 /nfs/dbraw/zinc/88/44/45/1044884445.db2.gz NBJFRAJFDDJHMS-GOSISDBHSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390563116 1044884451 /nfs/dbraw/zinc/88/44/51/1044884451.db2.gz NBJFRAJFDDJHMS-GOSISDBHSA-N 2 2 346.421 4.042 20 0 EIADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431042 1045131838 /nfs/dbraw/zinc/13/18/38/1045131838.db2.gz MLPQBICDFGCODU-PZJWPPBQSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431042 1045131841 /nfs/dbraw/zinc/13/18/41/1045131841.db2.gz MLPQBICDFGCODU-PZJWPPBQSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)CCn1cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161786050 1045168167 /nfs/dbraw/zinc/16/81/67/1045168167.db2.gz ZLXWYVLRHJJLAE-UHFFFAOYSA-N 2 2 340.446 4.149 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000237409130 1045384127 /nfs/dbraw/zinc/38/41/27/1045384127.db2.gz GOMBGDUEQLUYJD-MRXNPFEDSA-N 2 2 344.449 4.323 20 0 EIADLP c1ccc(N2CCCCC2)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000768239782 1045750679 /nfs/dbraw/zinc/75/06/79/1045750679.db2.gz NNAUWCUDDMUMEF-UHFFFAOYSA-N 2 2 341.543 4.127 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248175029 1045863447 /nfs/dbraw/zinc/86/34/47/1045863447.db2.gz VLNARIQYRAUNLW-UZLBHIALSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248175029 1045863455 /nfs/dbraw/zinc/86/34/55/1045863455.db2.gz VLNARIQYRAUNLW-UZLBHIALSA-N 2 2 349.478 4.136 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1csc(Cl)c1 ZINC000248696967 1045881939 /nfs/dbraw/zinc/88/19/39/1045881939.db2.gz LHOQCNUIDXFBKL-GRDNDAEWSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1csc(Cl)c1 ZINC000248696967 1045881946 /nfs/dbraw/zinc/88/19/46/1045881946.db2.gz LHOQCNUIDXFBKL-GRDNDAEWSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001170255239 1045973949 /nfs/dbraw/zinc/97/39/49/1045973949.db2.gz CLHCERCEGRKQTC-MRXNPFEDSA-N 2 2 343.902 4.172 20 0 EIADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001170287314 1045991782 /nfs/dbraw/zinc/99/17/82/1045991782.db2.gz HJAJGSIZUIXRGA-OAHLLOKOSA-N 2 2 338.898 4.169 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000162361825 1046190537 /nfs/dbraw/zinc/19/05/37/1046190537.db2.gz IXFOUNXKWDCACA-KGLIPLIRSA-N 2 2 326.469 4.357 20 0 EIADLP Clc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000428704752 1046568203 /nfs/dbraw/zinc/56/82/03/1046568203.db2.gz ARYKMSJMMRRGEX-UHFFFAOYSA-N 2 2 338.282 4.460 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622200 1046714025 /nfs/dbraw/zinc/71/40/25/1046714025.db2.gz GEOHMLPKQHEPCZ-DNVCBOLYSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000379622200 1046714046 /nfs/dbraw/zinc/71/40/46/1046714046.db2.gz GEOHMLPKQHEPCZ-DNVCBOLYSA-N 2 2 330.422 4.108 20 0 EIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497537846 1046849782 /nfs/dbraw/zinc/84/97/82/1046849782.db2.gz REGHVGCCZFGZQU-OAQYLSRUSA-N 2 2 341.474 4.172 20 0 EIADLP c1cn(CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000537125841 1046952566 /nfs/dbraw/zinc/95/25/66/1046952566.db2.gz ISAMBIJMTYLBMJ-YADHBBJMSA-N 2 2 331.463 4.334 20 0 EIADLP Cc1[nH]c(CSCCCCSCc2[nH]c(C)[nH+]c2C)c(C)[nH+]1 ZINC000917592302 1047012076 /nfs/dbraw/zinc/01/20/76/1047012076.db2.gz BXDFHUGCSNTHSN-UHFFFAOYSA-N 2 2 338.546 4.313 20 0 EIADLP CC(C)CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170079669 1047069501 /nfs/dbraw/zinc/06/95/01/1047069501.db2.gz GBVNQYQVJMMVPR-RBUKOAKNSA-N 2 2 345.531 4.014 20 0 EIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000788012154 1047081840 /nfs/dbraw/zinc/08/18/40/1047081840.db2.gz QRCCXIGGVNRDFA-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000788012154 1047081855 /nfs/dbraw/zinc/08/18/55/1047081855.db2.gz QRCCXIGGVNRDFA-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001170083952 1047156518 /nfs/dbraw/zinc/15/65/18/1047156518.db2.gz ZTQBDTPUJZZKGZ-OKZBNKHCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001170083952 1047156524 /nfs/dbraw/zinc/15/65/24/1047156524.db2.gz ZTQBDTPUJZZKGZ-OKZBNKHCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083952 1047156498 /nfs/dbraw/zinc/15/64/98/1047156498.db2.gz ZTQBDTPUJZZKGZ-OKZBNKHCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083952 1047156513 /nfs/dbraw/zinc/15/65/13/1047156513.db2.gz ZTQBDTPUJZZKGZ-OKZBNKHCSA-N 2 2 335.561 4.254 20 0 EIADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C)cc1 ZINC000537455974 1047246465 /nfs/dbraw/zinc/24/64/65/1047246465.db2.gz OFJXZNKTJGVSJK-PMACEKPBSA-N 2 2 338.499 4.094 20 0 EIADLP C[C@@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[N@H+](C)Cc1ccccc1 ZINC000788612650 1047247987 /nfs/dbraw/zinc/24/79/87/1047247987.db2.gz QFEVZPHMDPHDEC-YJBOKZPZSA-N 2 2 343.902 4.223 20 0 EIADLP C[C@@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[N@@H+](C)Cc1ccccc1 ZINC000788612650 1047248008 /nfs/dbraw/zinc/24/80/08/1047248008.db2.gz QFEVZPHMDPHDEC-YJBOKZPZSA-N 2 2 343.902 4.223 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170103867 1047407121 /nfs/dbraw/zinc/40/71/21/1047407121.db2.gz HQNQNIXAJYYNEL-GCJKJVERSA-N 2 2 334.507 4.486 20 0 EIADLP Cc1cccnc1[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000897994070 1047522587 /nfs/dbraw/zinc/52/25/87/1047522587.db2.gz DNVDMHUXTRMECM-FQEVSTJZSA-N 2 2 338.499 4.131 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000126667194 1047709217 /nfs/dbraw/zinc/70/92/17/1047709217.db2.gz NJTNAVJOBXVMBJ-LBPRGKRZSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000556598240 1047834268 /nfs/dbraw/zinc/83/42/68/1047834268.db2.gz IWCZBWCXMXAXIZ-BBRMVZONSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000556598240 1047834269 /nfs/dbraw/zinc/83/42/69/1047834269.db2.gz IWCZBWCXMXAXIZ-BBRMVZONSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598240 1047834270 /nfs/dbraw/zinc/83/42/70/1047834270.db2.gz IWCZBWCXMXAXIZ-BBRMVZONSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598240 1047834272 /nfs/dbraw/zinc/83/42/72/1047834272.db2.gz IWCZBWCXMXAXIZ-BBRMVZONSA-N 2 2 349.931 4.378 20 0 EIADLP Cc1ccc2oc(C[N@H+](CCn3cc[nH+]c3)Cc3ccco3)cc2c1 ZINC000131429451 1047924778 /nfs/dbraw/zinc/92/47/78/1047924778.db2.gz AFNJJMUAUIPXOU-UHFFFAOYSA-N 2 2 335.407 4.233 20 0 EIADLP Cc1ccc2oc(C[N@@H+](CCn3cc[nH+]c3)Cc3ccco3)cc2c1 ZINC000131429451 1047924815 /nfs/dbraw/zinc/92/48/15/1047924815.db2.gz AFNJJMUAUIPXOU-UHFFFAOYSA-N 2 2 335.407 4.233 20 0 EIADLP Fc1ccc(C2=CC[C@H]([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000498926704 1047969556 /nfs/dbraw/zinc/96/95/56/1047969556.db2.gz DVWDEIQYYAWXDB-IBGZPJMESA-N 2 2 325.431 4.248 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1nc2ccccc2s1 ZINC001136955939 1047972802 /nfs/dbraw/zinc/97/28/02/1047972802.db2.gz BKGBEBFTTZKQBK-HOTGVXAUSA-N 2 2 329.513 4.135 20 0 EIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1nc2ccccc2s1 ZINC001136955939 1047972824 /nfs/dbraw/zinc/97/28/24/1047972824.db2.gz BKGBEBFTTZKQBK-HOTGVXAUSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC001136955939 1047972852 /nfs/dbraw/zinc/97/28/52/1047972852.db2.gz BKGBEBFTTZKQBK-HOTGVXAUSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1 ZINC001136955939 1047972895 /nfs/dbraw/zinc/97/28/95/1047972895.db2.gz BKGBEBFTTZKQBK-HOTGVXAUSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)c(Cl)c2F)C2CCCC2)CC1 ZINC001143628353 1048125042 /nfs/dbraw/zinc/12/50/42/1048125042.db2.gz HGXWWFNMQCMXTD-UHFFFAOYSA-N 2 2 342.861 4.457 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)c(Cl)c2F)C2CCCC2)CC1 ZINC001143628353 1048125051 /nfs/dbraw/zinc/12/50/51/1048125051.db2.gz HGXWWFNMQCMXTD-UHFFFAOYSA-N 2 2 342.861 4.457 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(C)(C)C3CC3)CC2)cc1 ZINC000815164364 1048356156 /nfs/dbraw/zinc/35/61/56/1048356156.db2.gz WKFRLEWRQXWSLS-UHFFFAOYSA-N 2 2 329.532 4.137 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132698 1048392147 /nfs/dbraw/zinc/39/21/47/1048392147.db2.gz FWSBAXZXGNFVGJ-RTBURBONSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171132698 1048392167 /nfs/dbraw/zinc/39/21/67/1048392167.db2.gz FWSBAXZXGNFVGJ-RTBURBONSA-N 2 2 342.870 4.054 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(C(C)(C)C)n2)cc1 ZINC000809738780 1048512756 /nfs/dbraw/zinc/51/27/56/1048512756.db2.gz JKPNJNLCWLUQSF-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(C(C)(C)C)n2)cc1 ZINC000809738780 1048512773 /nfs/dbraw/zinc/51/27/73/1048512773.db2.gz JKPNJNLCWLUQSF-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576098 1048515752 /nfs/dbraw/zinc/51/57/52/1048515752.db2.gz JIEIFKOYYBCREI-ULQDDVLXSA-N 2 2 348.556 4.091 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576098 1048515756 /nfs/dbraw/zinc/51/57/56/1048515756.db2.gz JIEIFKOYYBCREI-ULQDDVLXSA-N 2 2 348.556 4.091 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170598366 1048662438 /nfs/dbraw/zinc/66/24/38/1048662438.db2.gz HPROUNSASMNFEP-GOSISDBHSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170598366 1048662453 /nfs/dbraw/zinc/66/24/53/1048662453.db2.gz HPROUNSASMNFEP-GOSISDBHSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001170598366 1048662467 /nfs/dbraw/zinc/66/24/67/1048662467.db2.gz HPROUNSASMNFEP-GOSISDBHSA-N 2 2 334.552 4.288 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001170598366 1048662474 /nfs/dbraw/zinc/66/24/74/1048662474.db2.gz HPROUNSASMNFEP-GOSISDBHSA-N 2 2 334.552 4.288 20 0 EIADLP c1cn(Cc2cccc(-c3ccccc3C[C@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000846779190 1048895076 /nfs/dbraw/zinc/89/50/76/1048895076.db2.gz KSHBGVCEKKPAAT-OAQYLSRUSA-N 2 2 331.463 4.283 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584108 1049013542 /nfs/dbraw/zinc/01/35/42/1049013542.db2.gz RTBTYZYVVCOAGC-OXJNMPFZSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584108 1049013552 /nfs/dbraw/zinc/01/35/52/1049013552.db2.gz RTBTYZYVVCOAGC-OXJNMPFZSA-N 2 2 343.902 4.298 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)s1 ZINC000348134244 1049441712 /nfs/dbraw/zinc/44/17/12/1049441712.db2.gz NPZXCJLCJUEURC-OAHLLOKOSA-N 2 2 347.503 4.114 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)s1 ZINC000348134244 1049441734 /nfs/dbraw/zinc/44/17/34/1049441734.db2.gz NPZXCJLCJUEURC-OAHLLOKOSA-N 2 2 347.503 4.114 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)s1 ZINC000348134243 1049442191 /nfs/dbraw/zinc/44/21/91/1049442191.db2.gz NPZXCJLCJUEURC-HNNXBMFYSA-N 2 2 347.503 4.114 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)s1 ZINC000348134243 1049442199 /nfs/dbraw/zinc/44/21/99/1049442199.db2.gz NPZXCJLCJUEURC-HNNXBMFYSA-N 2 2 347.503 4.114 20 0 EIADLP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000820814867 1049557698 /nfs/dbraw/zinc/55/76/98/1049557698.db2.gz NNQDDFNVPKBQET-HXUWFJFHSA-N 2 2 326.484 4.334 20 0 EIADLP Fc1cccc2c1CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001171400832 1049619666 /nfs/dbraw/zinc/61/96/66/1049619666.db2.gz GGLNRIWBWBTRQS-UGKGYDQZSA-N 2 2 338.470 4.110 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716696067 1049701132 /nfs/dbraw/zinc/70/11/32/1049701132.db2.gz BIBKEYPUCHNRGJ-LULLPPNCSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716696067 1049701145 /nfs/dbraw/zinc/70/11/45/1049701145.db2.gz BIBKEYPUCHNRGJ-LULLPPNCSA-N 2 2 341.524 4.155 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237769243 1049753513 /nfs/dbraw/zinc/75/35/13/1049753513.db2.gz WNOIAWUVADNIDH-GJZGRUSLSA-N 2 2 330.419 4.015 20 0 EIADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237769243 1049753522 /nfs/dbraw/zinc/75/35/22/1049753522.db2.gz WNOIAWUVADNIDH-GJZGRUSLSA-N 2 2 330.419 4.015 20 0 EIADLP Cc1cccc2c1CC[C@@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001171558974 1049755148 /nfs/dbraw/zinc/75/51/48/1049755148.db2.gz RUHFDKUZZUCIEE-VAMGGRTRSA-N 2 2 335.495 4.024 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137661575 1049769688 /nfs/dbraw/zinc/76/96/88/1049769688.db2.gz YZTAOFJKGPMHMO-KRWDZBQOSA-N 2 2 346.877 4.433 20 0 EIADLP C[N@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137661575 1049769693 /nfs/dbraw/zinc/76/96/93/1049769693.db2.gz YZTAOFJKGPMHMO-KRWDZBQOSA-N 2 2 346.877 4.433 20 0 EIADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137661575 1049769703 /nfs/dbraw/zinc/76/97/03/1049769703.db2.gz YZTAOFJKGPMHMO-KRWDZBQOSA-N 2 2 346.877 4.433 20 0 EIADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137661575 1049769711 /nfs/dbraw/zinc/76/97/11/1049769711.db2.gz YZTAOFJKGPMHMO-KRWDZBQOSA-N 2 2 346.877 4.433 20 0 EIADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640983 1049779856 /nfs/dbraw/zinc/77/98/56/1049779856.db2.gz LDWLHNKWBIMZEP-UHFFFAOYSA-N 3 2 349.607 4.367 20 0 EIADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640983 1049779861 /nfs/dbraw/zinc/77/98/61/1049779861.db2.gz LDWLHNKWBIMZEP-UHFFFAOYSA-N 3 2 349.607 4.367 20 0 EIADLP CC(C)[N@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171966233 1049826959 /nfs/dbraw/zinc/82/69/59/1049826959.db2.gz OQSZUWVZUKDING-HNNXBMFYSA-N 2 2 342.449 4.441 20 0 EIADLP CC(C)[N@@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171966233 1049826965 /nfs/dbraw/zinc/82/69/65/1049826965.db2.gz OQSZUWVZUKDING-HNNXBMFYSA-N 2 2 342.449 4.441 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976026 1049837609 /nfs/dbraw/zinc/83/76/09/1049837609.db2.gz HQLDSDPMRPKLFW-NSHGMRRFSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976026 1049837613 /nfs/dbraw/zinc/83/76/13/1049837613.db2.gz HQLDSDPMRPKLFW-NSHGMRRFSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976026 1049837615 /nfs/dbraw/zinc/83/76/15/1049837615.db2.gz HQLDSDPMRPKLFW-NSHGMRRFSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976026 1049837617 /nfs/dbraw/zinc/83/76/17/1049837617.db2.gz HQLDSDPMRPKLFW-NSHGMRRFSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976025 1049837868 /nfs/dbraw/zinc/83/78/68/1049837868.db2.gz HQLDSDPMRPKLFW-HBFSDRIKSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976025 1049837871 /nfs/dbraw/zinc/83/78/71/1049837871.db2.gz HQLDSDPMRPKLFW-HBFSDRIKSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976025 1049837875 /nfs/dbraw/zinc/83/78/75/1049837875.db2.gz HQLDSDPMRPKLFW-HBFSDRIKSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976025 1049837879 /nfs/dbraw/zinc/83/78/79/1049837879.db2.gz HQLDSDPMRPKLFW-HBFSDRIKSA-N 2 2 336.470 4.202 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075072 1049843988 /nfs/dbraw/zinc/84/39/88/1049843988.db2.gz ZKHNPCSVNCLSAL-ZIBCJSCZSA-N 2 2 342.527 4.310 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075072 1049843992 /nfs/dbraw/zinc/84/39/92/1049843992.db2.gz ZKHNPCSVNCLSAL-ZIBCJSCZSA-N 2 2 342.527 4.310 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000245752418 1049849730 /nfs/dbraw/zinc/84/97/30/1049849730.db2.gz OCBUQFCSZZFTCF-RDJZCZTQSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000245752418 1049849737 /nfs/dbraw/zinc/84/97/37/1049849737.db2.gz OCBUQFCSZZFTCF-RDJZCZTQSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1 ZINC000245752418 1049849739 /nfs/dbraw/zinc/84/97/39/1049849739.db2.gz OCBUQFCSZZFTCF-RDJZCZTQSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1 ZINC000245752418 1049849740 /nfs/dbraw/zinc/84/97/40/1049849740.db2.gz OCBUQFCSZZFTCF-RDJZCZTQSA-N 2 2 329.513 4.033 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132310 1049855090 /nfs/dbraw/zinc/85/50/90/1049855090.db2.gz KCNPCERQXKFZJZ-MUJYYYPQSA-N 2 2 339.310 4.367 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132310 1049855091 /nfs/dbraw/zinc/85/50/91/1049855091.db2.gz KCNPCERQXKFZJZ-MUJYYYPQSA-N 2 2 339.310 4.367 20 0 EIADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132310 1049855092 /nfs/dbraw/zinc/85/50/92/1049855092.db2.gz KCNPCERQXKFZJZ-MUJYYYPQSA-N 2 2 339.310 4.367 20 0 EIADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132310 1049855093 /nfs/dbraw/zinc/85/50/93/1049855093.db2.gz KCNPCERQXKFZJZ-MUJYYYPQSA-N 2 2 339.310 4.367 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172104382 1049856913 /nfs/dbraw/zinc/85/69/13/1049856913.db2.gz CGDLGFOAOIMSDU-QDMKHBRRSA-N 2 2 338.417 4.299 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172104382 1049856915 /nfs/dbraw/zinc/85/69/15/1049856915.db2.gz CGDLGFOAOIMSDU-QDMKHBRRSA-N 2 2 338.417 4.299 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)CC2)cc1 ZINC001172359544 1049895087 /nfs/dbraw/zinc/89/50/87/1049895087.db2.gz KCLAXRZSLYCSBC-SQGPQFPESA-N 2 2 330.516 4.074 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000824066217 1049897240 /nfs/dbraw/zinc/89/72/40/1049897240.db2.gz PWZKXVNPUQUFKN-HXUWFJFHSA-N 2 2 327.516 4.352 20 0 EIADLP CC(C)COCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172463020 1049917013 /nfs/dbraw/zinc/91/70/13/1049917013.db2.gz IJYVYUNAIQHVQW-YUXAGFNASA-N 2 2 340.511 4.469 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246286894 1049945170 /nfs/dbraw/zinc/94/51/70/1049945170.db2.gz BXIWDOYPOIHABW-HZPDHXFCSA-N 2 2 335.561 4.041 20 0 EIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246286894 1049945175 /nfs/dbraw/zinc/94/51/75/1049945175.db2.gz BXIWDOYPOIHABW-HZPDHXFCSA-N 2 2 335.561 4.041 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000139906781 1050004626 /nfs/dbraw/zinc/00/46/26/1050004626.db2.gz NGYHKTWMMOXCAA-MJGOQNOKSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000139906781 1050004633 /nfs/dbraw/zinc/00/46/33/1050004633.db2.gz NGYHKTWMMOXCAA-MJGOQNOKSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139906781 1050004641 /nfs/dbraw/zinc/00/46/41/1050004641.db2.gz NGYHKTWMMOXCAA-MJGOQNOKSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139906781 1050004647 /nfs/dbraw/zinc/00/46/47/1050004647.db2.gz NGYHKTWMMOXCAA-MJGOQNOKSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000139906627 1050004704 /nfs/dbraw/zinc/00/47/04/1050004704.db2.gz NGYHKTWMMOXCAA-IEBWSBKVSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000139906627 1050004712 /nfs/dbraw/zinc/00/47/12/1050004712.db2.gz NGYHKTWMMOXCAA-IEBWSBKVSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139906627 1050004718 /nfs/dbraw/zinc/00/47/18/1050004718.db2.gz NGYHKTWMMOXCAA-IEBWSBKVSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000139906627 1050004725 /nfs/dbraw/zinc/00/47/25/1050004725.db2.gz NGYHKTWMMOXCAA-IEBWSBKVSA-N 2 2 341.524 4.035 20 0 EIADLP CCC(CC)(C[NH2+][C@@H]1CCCc2n[nH]cc21)[NH2+][C@H](C)c1ccccc1 ZINC000353522696 1050107247 /nfs/dbraw/zinc/10/72/47/1050107247.db2.gz VPZHXEDEIZIGHA-VQIMIIECSA-N 2 2 340.515 4.286 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001177231113 1050168649 /nfs/dbraw/zinc/16/86/49/1050168649.db2.gz AXTYNXJLDFTDFD-CYBMUJFWSA-N 2 2 331.872 4.443 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC001177222030 1050169121 /nfs/dbraw/zinc/16/91/21/1050169121.db2.gz FPCNPIKRTRFVBK-NHCUHLMSSA-N 2 2 344.543 4.021 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798215 1050208967 /nfs/dbraw/zinc/20/89/67/1050208967.db2.gz PFTKNSDQNALLFB-PXNSSMCTSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000090798215 1050208980 /nfs/dbraw/zinc/20/89/80/1050208980.db2.gz PFTKNSDQNALLFB-PXNSSMCTSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070296 1050223005 /nfs/dbraw/zinc/22/30/05/1050223005.db2.gz OSIAVZXHKLXMPC-WBVHZDCISA-N 2 2 328.504 4.117 20 0 EIADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070296 1050223023 /nfs/dbraw/zinc/22/30/23/1050223023.db2.gz OSIAVZXHKLXMPC-WBVHZDCISA-N 2 2 328.504 4.117 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c(F)c1 ZINC001177874863 1050310626 /nfs/dbraw/zinc/31/06/26/1050310626.db2.gz APSLZGMZNJPTIK-QGZVFWFLSA-N 2 2 326.459 4.449 20 0 EIADLP CCc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(CC)[nH+]1 ZINC001186381222 1050315401 /nfs/dbraw/zinc/31/54/01/1050315401.db2.gz RZPMNXYSOICBFP-MGPUTAFESA-N 2 2 326.488 4.013 20 0 EIADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173131904 1050323042 /nfs/dbraw/zinc/32/30/42/1050323042.db2.gz MUDTVZXYXAJEIZ-DZFGPLHGSA-N 2 2 349.503 4.031 20 0 EIADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001177948044 1050343210 /nfs/dbraw/zinc/34/32/10/1050343210.db2.gz DLBMEZDHGVPTRB-UHFFFAOYSA-N 2 2 327.299 4.490 20 0 EIADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001173261619 1050387768 /nfs/dbraw/zinc/38/77/68/1050387768.db2.gz QIEBTSJTRSOXRT-BHIFYINESA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001173261619 1050387776 /nfs/dbraw/zinc/38/77/76/1050387776.db2.gz QIEBTSJTRSOXRT-BHIFYINESA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001173261619 1050387787 /nfs/dbraw/zinc/38/77/87/1050387787.db2.gz QIEBTSJTRSOXRT-BHIFYINESA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001173261619 1050387799 /nfs/dbraw/zinc/38/77/99/1050387799.db2.gz QIEBTSJTRSOXRT-BHIFYINESA-N 2 2 343.559 4.440 20 0 EIADLP Cc1[nH+]cn([C@H](C)CCc2ccc(Cl)c(Cl)c2)c1CC[NH3+] ZINC001173541765 1050475827 /nfs/dbraw/zinc/47/58/27/1050475827.db2.gz CXHOMUARJRSINA-LLVKDONJSA-N 2 2 326.271 4.193 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001178462795 1050476833 /nfs/dbraw/zinc/47/68/33/1050476833.db2.gz KAQJKTUCRRZIDN-ZDUSSCGKSA-N 2 2 345.314 4.356 20 0 EIADLP CNc1ccc(C)cc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001178791261 1050556151 /nfs/dbraw/zinc/55/61/51/1050556151.db2.gz VDWIEKSUHDLLKX-UHFFFAOYSA-N 2 2 340.858 4.166 20 0 EIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(F)(F)F)cc1C ZINC001179953751 1050825734 /nfs/dbraw/zinc/82/57/34/1050825734.db2.gz ZYTTYZPSOKVCNA-SJORKVTESA-N 2 2 326.406 4.072 20 0 EIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(F)(F)F)cc1C ZINC001179953751 1050825740 /nfs/dbraw/zinc/82/57/40/1050825740.db2.gz ZYTTYZPSOKVCNA-SJORKVTESA-N 2 2 326.406 4.072 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1C ZINC001179953751 1050825744 /nfs/dbraw/zinc/82/57/44/1050825744.db2.gz ZYTTYZPSOKVCNA-SJORKVTESA-N 2 2 326.406 4.072 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1C ZINC001179953751 1050825752 /nfs/dbraw/zinc/82/57/52/1050825752.db2.gz ZYTTYZPSOKVCNA-SJORKVTESA-N 2 2 326.406 4.072 20 0 EIADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001180030522 1050859983 /nfs/dbraw/zinc/85/99/83/1050859983.db2.gz NZBHPLRFRFJQKP-HXUWFJFHSA-N 2 2 346.563 4.025 20 0 EIADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001180030522 1050859989 /nfs/dbraw/zinc/85/99/89/1050859989.db2.gz NZBHPLRFRFJQKP-HXUWFJFHSA-N 2 2 346.563 4.025 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001180030516 1050860823 /nfs/dbraw/zinc/86/08/23/1050860823.db2.gz NYHFYBSZSJISOE-MSOLQXFVSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001180030516 1050860834 /nfs/dbraw/zinc/86/08/34/1050860834.db2.gz NYHFYBSZSJISOE-MSOLQXFVSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001180030516 1050860837 /nfs/dbraw/zinc/86/08/37/1050860837.db2.gz NYHFYBSZSJISOE-MSOLQXFVSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001180030516 1050860838 /nfs/dbraw/zinc/86/08/38/1050860838.db2.gz NYHFYBSZSJISOE-MSOLQXFVSA-N 2 2 332.507 4.475 20 0 EIADLP COc1cc2ccccc2cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001180099202 1050886405 /nfs/dbraw/zinc/88/64/05/1050886405.db2.gz WRFHEBVRDRMRPB-HXUWFJFHSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001180099202 1050886408 /nfs/dbraw/zinc/88/64/08/1050886408.db2.gz WRFHEBVRDRMRPB-HXUWFJFHSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001180099202 1050886413 /nfs/dbraw/zinc/88/64/13/1050886413.db2.gz WRFHEBVRDRMRPB-HXUWFJFHSA-N 2 2 326.484 4.155 20 0 EIADLP COc1cc2ccccc2cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001180099202 1050886415 /nfs/dbraw/zinc/88/64/15/1050886415.db2.gz WRFHEBVRDRMRPB-HXUWFJFHSA-N 2 2 326.484 4.155 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC001180646553 1051056802 /nfs/dbraw/zinc/05/68/02/1051056802.db2.gz NLJIYCZCSAQQSC-FFKUYJCKSA-N 2 2 344.543 4.082 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180646553 1051056810 /nfs/dbraw/zinc/05/68/10/1051056810.db2.gz NLJIYCZCSAQQSC-FFKUYJCKSA-N 2 2 344.543 4.082 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2sc(-c3ccccc3)nc2C)CC1 ZINC000077249625 1051115817 /nfs/dbraw/zinc/11/58/17/1051115817.db2.gz UGLHYAWISYPXEK-UHFFFAOYSA-N 2 2 329.513 4.035 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2sc(-c3ccccc3)nc2C)CC1 ZINC000077249625 1051115825 /nfs/dbraw/zinc/11/58/25/1051115825.db2.gz UGLHYAWISYPXEK-UHFFFAOYSA-N 2 2 329.513 4.035 20 0 EIADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000153890519 1051240632 /nfs/dbraw/zinc/24/06/32/1051240632.db2.gz QWTJWSMUQVIBII-KRWDZBQOSA-N 2 2 328.431 4.002 20 0 EIADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000153890519 1051240642 /nfs/dbraw/zinc/24/06/42/1051240642.db2.gz QWTJWSMUQVIBII-KRWDZBQOSA-N 2 2 328.431 4.002 20 0 EIADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000153978709 1051253815 /nfs/dbraw/zinc/25/38/15/1051253815.db2.gz XKACINIMIQSSAP-HNNXBMFYSA-N 2 2 329.875 4.097 20 0 EIADLP CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191231533 1051404551 /nfs/dbraw/zinc/40/45/51/1051404551.db2.gz CHFHNXQJNPYQFG-UXHICEINSA-N 2 2 327.516 4.056 20 0 EIADLP CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191231533 1051404558 /nfs/dbraw/zinc/40/45/58/1051404558.db2.gz CHFHNXQJNPYQFG-UXHICEINSA-N 2 2 327.516 4.056 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2c(C)cccc2Cl)[nH+]1 ZINC001192043576 1051619364 /nfs/dbraw/zinc/61/93/64/1051619364.db2.gz UPWYXQXZTNKGKJ-MRXNPFEDSA-N 2 2 329.875 4.428 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c(C)cccc2Cl)[nH+]1 ZINC001192043576 1051619372 /nfs/dbraw/zinc/61/93/72/1051619372.db2.gz UPWYXQXZTNKGKJ-MRXNPFEDSA-N 2 2 329.875 4.428 20 0 EIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183227246 1051808293 /nfs/dbraw/zinc/80/82/93/1051808293.db2.gz PTNLIUJZAMRSIA-UKRRQHHQSA-N 2 2 326.937 4.329 20 0 EIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183227246 1051808299 /nfs/dbraw/zinc/80/82/99/1051808299.db2.gz PTNLIUJZAMRSIA-UKRRQHHQSA-N 2 2 326.937 4.329 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000159073469 1051810758 /nfs/dbraw/zinc/81/07/58/1051810758.db2.gz ZDGWWJMAVRVUDN-KRWDZBQOSA-N 2 2 344.499 4.201 20 0 EIADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)ccc1C(F)(F)F ZINC001184363904 1051992521 /nfs/dbraw/zinc/99/25/21/1051992521.db2.gz HBZWVVUBMKWOBR-UHFFFAOYSA-N 2 2 337.389 4.127 20 0 EIADLP Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(C2CCC2)[nH+]1 ZINC001184812680 1052111502 /nfs/dbraw/zinc/11/15/02/1052111502.db2.gz TUXACFRLEVUUHB-UHFFFAOYSA-N 2 2 336.483 4.260 20 0 EIADLP c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C[NH+]2CCCCC2)c1 ZINC001176750736 1052182062 /nfs/dbraw/zinc/18/20/62/1052182062.db2.gz KKZNHUGNVJKCMQ-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001176990253 1052212917 /nfs/dbraw/zinc/21/29/17/1052212917.db2.gz FXESEWGZRAKMOK-OAHLLOKOSA-N 2 2 332.879 4.066 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001176990253 1052212932 /nfs/dbraw/zinc/21/29/32/1052212932.db2.gz FXESEWGZRAKMOK-OAHLLOKOSA-N 2 2 332.879 4.066 20 0 EIADLP Cc1ccc(CSCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001177060780 1052221896 /nfs/dbraw/zinc/22/18/96/1052221896.db2.gz CUMAMEPGOMRPBZ-UHFFFAOYSA-N 2 2 343.521 4.265 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000171940538 1052461743 /nfs/dbraw/zinc/46/17/43/1052461743.db2.gz NBAIHUQBWQEMGU-UHFFFAOYSA-N 2 2 329.513 4.116 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000171940538 1052461750 /nfs/dbraw/zinc/46/17/50/1052461750.db2.gz NBAIHUQBWQEMGU-UHFFFAOYSA-N 2 2 329.513 4.116 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340071 1052627932 /nfs/dbraw/zinc/62/79/32/1052627932.db2.gz WKTZUHBFRMBSAK-CTNGQTDRSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000623340071 1052627933 /nfs/dbraw/zinc/62/79/33/1052627933.db2.gz WKTZUHBFRMBSAK-CTNGQTDRSA-N 2 2 338.495 4.247 20 0 EIADLP Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179991190 1052771833 /nfs/dbraw/zinc/77/18/33/1052771833.db2.gz VLHISPGHCLDSFO-QGZVFWFLSA-N 2 2 334.467 4.415 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000180405437 1052798547 /nfs/dbraw/zinc/79/85/47/1052798547.db2.gz FZJASSABOQLZMV-ZDUSSCGKSA-N 2 2 330.394 4.109 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623861277 1052824674 /nfs/dbraw/zinc/82/46/74/1052824674.db2.gz UALUQUHVXWVDQR-SJCJKPOMSA-N 2 2 328.847 4.074 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000623964718 1052843337 /nfs/dbraw/zinc/84/33/37/1052843337.db2.gz ORHSVMPXSMRTDV-RYQLBKOJSA-N 2 2 345.487 4.030 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000623985821 1052844580 /nfs/dbraw/zinc/84/45/80/1052844580.db2.gz DAAMLVXDLIBTMZ-UCLAIMLFSA-N 2 2 345.487 4.099 20 0 EIADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000624014864 1052853450 /nfs/dbraw/zinc/85/34/50/1052853450.db2.gz ITBFCWXUYRVOGN-FVJLSDCUSA-N 2 2 330.516 4.104 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123476 1052868759 /nfs/dbraw/zinc/86/87/59/1052868759.db2.gz MSCJQNQOHGNYNV-CABCVRRESA-N 2 2 347.503 4.332 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123476 1052868760 /nfs/dbraw/zinc/86/87/60/1052868760.db2.gz MSCJQNQOHGNYNV-CABCVRRESA-N 2 2 347.503 4.332 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182124459 1052916030 /nfs/dbraw/zinc/91/60/30/1052916030.db2.gz FZUZKNIXSAANCA-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP Fc1cccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000182212393 1052920262 /nfs/dbraw/zinc/92/02/62/1052920262.db2.gz HQKNXGOHEDGTDK-UHFFFAOYSA-N 2 2 338.470 4.112 20 0 EIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OC(F)F ZINC000325113004 1052943631 /nfs/dbraw/zinc/94/36/31/1052943631.db2.gz IJDMBLFIRBVACO-XJKSGUPXSA-N 2 2 337.414 4.250 20 0 EIADLP CC[C@@H]([NH2+]CC(C)C[NH2+][C@H](CC)c1nccs1)c1nccs1 ZINC000185060259 1053011977 /nfs/dbraw/zinc/01/19/77/1053011977.db2.gz HIUIUXFSWFGSAN-ZIAGYGMSSA-N 2 2 338.546 4.017 20 0 EIADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000194845829 1053047134 /nfs/dbraw/zinc/04/71/34/1053047134.db2.gz ZXNJFGKEXLKKLE-OAQYLSRUSA-N 2 2 347.462 4.107 20 0 EIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000863713243 1053071299 /nfs/dbraw/zinc/07/12/99/1053071299.db2.gz JRVHHABHIQDRDM-NRFANRHFSA-N 2 2 335.426 4.032 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1C ZINC000764432040 1053099234 /nfs/dbraw/zinc/09/92/34/1053099234.db2.gz JCIXQPOPCOSEPA-LLGFUMIMSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000775622498 1053212736 /nfs/dbraw/zinc/21/27/36/1053212736.db2.gz DJBUOYLLETXYQL-INIZCTEOSA-N 2 2 330.435 4.264 20 0 EIADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539323 1053302607 /nfs/dbraw/zinc/30/26/07/1053302607.db2.gz RWMMHEWYLFWDJW-UNMCSNQZSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539323 1053302624 /nfs/dbraw/zinc/30/26/24/1053302624.db2.gz RWMMHEWYLFWDJW-UNMCSNQZSA-N 2 2 342.527 4.151 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000765247636 1053476647 /nfs/dbraw/zinc/47/66/47/1053476647.db2.gz BKVJGLLWAMKQDK-NVXWUHKLSA-N 2 2 333.476 4.264 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000765252875 1053478621 /nfs/dbraw/zinc/47/86/21/1053478621.db2.gz SSKPKEIZLNWHAZ-GUYCJALGSA-N 2 2 335.879 4.311 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404850 1053535797 /nfs/dbraw/zinc/53/57/97/1053535797.db2.gz NKTMESIWURQIRG-GCJKJVERSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000765404850 1053535812 /nfs/dbraw/zinc/53/58/12/1053535812.db2.gz NKTMESIWURQIRG-GCJKJVERSA-N 2 2 345.490 4.235 20 0 EIADLP C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866540884 1053775828 /nfs/dbraw/zinc/77/58/28/1053775828.db2.gz FYSWRZKSWWILQB-ZDUSSCGKSA-N 2 2 343.418 4.209 20 0 EIADLP c1cn(CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)c[nH+]1 ZINC000543707999 1054139980 /nfs/dbraw/zinc/13/99/80/1054139980.db2.gz SYGVYUGEUNHXTL-OAQYLSRUSA-N 2 2 346.434 4.184 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC001198789911 1054253595 /nfs/dbraw/zinc/25/35/95/1054253595.db2.gz ARKDUICVJRHDGT-AWEZNQCLSA-N 2 2 332.879 4.066 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC001198789911 1054253620 /nfs/dbraw/zinc/25/36/20/1054253620.db2.gz ARKDUICVJRHDGT-AWEZNQCLSA-N 2 2 332.879 4.066 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000872033557 1054349404 /nfs/dbraw/zinc/34/94/04/1054349404.db2.gz FHAKXULSEFOUCD-HKUYNNGSSA-N 2 2 330.516 4.197 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160432 1054427165 /nfs/dbraw/zinc/42/71/65/1054427165.db2.gz IWRPSKJEVPCXNL-FZMZJTMJSA-N 2 2 343.298 4.279 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000858160432 1054427169 /nfs/dbraw/zinc/42/71/69/1054427169.db2.gz IWRPSKJEVPCXNL-FZMZJTMJSA-N 2 2 343.298 4.279 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001199608063 1054432172 /nfs/dbraw/zinc/43/21/72/1054432172.db2.gz BRSJLMLPPUVCPI-HNNXBMFYSA-N 2 2 346.525 4.273 20 0 EIADLP C1=CC[C@H](C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423664 1054794409 /nfs/dbraw/zinc/79/44/09/1054794409.db2.gz QYDBCPBPEKXCHG-XBJCXQGOSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@H](C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423664 1054794420 /nfs/dbraw/zinc/79/44/20/1054794420.db2.gz QYDBCPBPEKXCHG-XBJCXQGOSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423664 1054794429 /nfs/dbraw/zinc/79/44/29/1054794429.db2.gz QYDBCPBPEKXCHG-XBJCXQGOSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423664 1054794443 /nfs/dbraw/zinc/79/44/43/1054794443.db2.gz QYDBCPBPEKXCHG-XBJCXQGOSA-N 2 2 326.528 4.238 20 0 EIADLP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488802 1054817029 /nfs/dbraw/zinc/81/70/29/1054817029.db2.gz ZVGXRGJHUJJTDH-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488802 1054817039 /nfs/dbraw/zinc/81/70/39/1054817039.db2.gz ZVGXRGJHUJJTDH-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488802 1054817040 /nfs/dbraw/zinc/81/70/40/1054817040.db2.gz ZVGXRGJHUJJTDH-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488802 1054817046 /nfs/dbraw/zinc/81/70/46/1054817046.db2.gz ZVGXRGJHUJJTDH-FCEUIQTBSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201488190 1054817299 /nfs/dbraw/zinc/81/72/99/1054817299.db2.gz WZAFSCMEDCIIJN-OTWHNJEPSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488190 1054817290 /nfs/dbraw/zinc/81/72/90/1054817290.db2.gz WZAFSCMEDCIIJN-OTWHNJEPSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488190 1054817293 /nfs/dbraw/zinc/81/72/93/1054817293.db2.gz WZAFSCMEDCIIJN-OTWHNJEPSA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201488190 1054817296 /nfs/dbraw/zinc/81/72/96/1054817296.db2.gz WZAFSCMEDCIIJN-OTWHNJEPSA-N 2 2 347.572 4.422 20 0 EIADLP Fc1ccc(C([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000166298783 1054904613 /nfs/dbraw/zinc/90/46/13/1054904613.db2.gz NSLAVNZPERGMAZ-WOJBJXKFSA-N 2 2 342.433 4.271 20 0 EIADLP Fc1ccc(C([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000166298783 1054904621 /nfs/dbraw/zinc/90/46/21/1054904621.db2.gz NSLAVNZPERGMAZ-WOJBJXKFSA-N 2 2 342.433 4.271 20 0 EIADLP CCc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC001201919912 1054950115 /nfs/dbraw/zinc/95/01/15/1054950115.db2.gz JSGABSKFEMNCOM-FQEVSTJZSA-N 2 2 333.435 4.048 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877109779 1055020018 /nfs/dbraw/zinc/02/00/18/1055020018.db2.gz GOJIIVDENJMYCV-LLVKDONJSA-N 2 2 332.860 4.141 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380311 1055061012 /nfs/dbraw/zinc/06/10/12/1055061012.db2.gz TYBRTSBXJUNWNY-SRVKXCTJSA-N 2 2 347.812 4.031 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380311 1055061024 /nfs/dbraw/zinc/06/10/24/1055061024.db2.gz TYBRTSBXJUNWNY-SRVKXCTJSA-N 2 2 347.812 4.031 20 0 EIADLP Cc1[nH+]cc(C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)n1C ZINC001202194334 1055079631 /nfs/dbraw/zinc/07/96/31/1055079631.db2.gz QJQWXYMTZAVFJH-UHFFFAOYSA-N 2 2 338.282 4.247 20 0 EIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411522 1055294002 /nfs/dbraw/zinc/29/40/02/1055294002.db2.gz LHUJNKKRVBAIKM-STQMWFEESA-N 2 2 330.394 4.041 20 0 EIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411522 1055294026 /nfs/dbraw/zinc/29/40/26/1055294026.db2.gz LHUJNKKRVBAIKM-STQMWFEESA-N 2 2 330.394 4.041 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709899 1055997151 /nfs/dbraw/zinc/99/71/51/1055997151.db2.gz FSUGMXFDHCHLSC-PRLABOORSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709899 1055997160 /nfs/dbraw/zinc/99/71/60/1055997160.db2.gz FSUGMXFDHCHLSC-PRLABOORSA-N 2 2 332.454 4.350 20 0 EIADLP COc1c(C)cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742387404 1058588165 /nfs/dbraw/zinc/58/81/65/1058588165.db2.gz HASPRRMKBJWMGY-HXUWFJFHSA-N 2 2 349.478 4.119 20 0 EIADLP CCOc1cccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000766303786 1059139330 /nfs/dbraw/zinc/13/93/30/1059139330.db2.gz KINWGBQDNOOROC-UWJYYQICSA-N 2 2 349.478 4.453 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001169098098 1060632006 /nfs/dbraw/zinc/63/20/06/1060632006.db2.gz FWFPKSYKAWVORW-CLLJXQQHSA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001169098098 1060632022 /nfs/dbraw/zinc/63/20/22/1060632022.db2.gz FWFPKSYKAWVORW-CLLJXQQHSA-N 2 2 332.797 4.074 20 0 EIADLP CCCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC001169112631 1060657876 /nfs/dbraw/zinc/65/78/76/1060657876.db2.gz PHSODLIBYBWBTL-QFIPXVFZSA-N 2 2 343.559 4.147 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145235 1060664771 /nfs/dbraw/zinc/66/47/71/1060664771.db2.gz MBIZWFXAIVRLQL-XQLPTFJDSA-N 2 2 339.310 4.408 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145235 1060664781 /nfs/dbraw/zinc/66/47/81/1060664781.db2.gz MBIZWFXAIVRLQL-XQLPTFJDSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145235 1060664786 /nfs/dbraw/zinc/66/47/86/1060664786.db2.gz MBIZWFXAIVRLQL-XQLPTFJDSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145235 1060664797 /nfs/dbraw/zinc/66/47/97/1060664797.db2.gz MBIZWFXAIVRLQL-XQLPTFJDSA-N 2 2 339.310 4.408 20 0 EIADLP Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001169420660 1060810075 /nfs/dbraw/zinc/81/00/75/1060810075.db2.gz SPHFEXLFIREKPP-UHFFFAOYSA-N 2 2 331.463 4.356 20 0 EIADLP Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001169420660 1060810081 /nfs/dbraw/zinc/81/00/81/1060810081.db2.gz SPHFEXLFIREKPP-UHFFFAOYSA-N 2 2 331.463 4.356 20 0 EIADLP CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723805 1060919825 /nfs/dbraw/zinc/91/98/25/1060919825.db2.gz HXFALLDQWPRFGG-NHCUHLMSSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723805 1060919845 /nfs/dbraw/zinc/91/98/45/1060919845.db2.gz HXFALLDQWPRFGG-NHCUHLMSSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723805 1060919864 /nfs/dbraw/zinc/91/98/64/1060919864.db2.gz HXFALLDQWPRFGG-NHCUHLMSSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723805 1060919885 /nfs/dbraw/zinc/91/98/85/1060919885.db2.gz HXFALLDQWPRFGG-NHCUHLMSSA-N 2 2 344.543 4.036 20 0 EIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001169900564 1061024585 /nfs/dbraw/zinc/02/45/85/1061024585.db2.gz NLWDTWIXFLAFEJ-FFZOFVMBSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001169900564 1061024604 /nfs/dbraw/zinc/02/46/04/1061024604.db2.gz NLWDTWIXFLAFEJ-FFZOFVMBSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001169900564 1061024625 /nfs/dbraw/zinc/02/46/25/1061024625.db2.gz NLWDTWIXFLAFEJ-FFZOFVMBSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001169900564 1061024633 /nfs/dbraw/zinc/02/46/33/1061024633.db2.gz NLWDTWIXFLAFEJ-FFZOFVMBSA-N 2 2 340.898 4.465 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206524 1032074051 /nfs/dbraw/zinc/07/40/51/1032074051.db2.gz VNCKVWWLYCVZJD-BTYIYWSLSA-N 2 2 335.426 4.425 20 0 EIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(Cl)o1 ZINC000532374668 1032259464 /nfs/dbraw/zinc/25/94/64/1032259464.db2.gz NDYHFSZTKNUVCE-HUUCEWRRSA-N 2 2 332.875 4.179 20 0 EIADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000648431648 1032295838 /nfs/dbraw/zinc/29/58/38/1032295838.db2.gz UDPRHWHXHQTSED-HBMCJLEFSA-N 2 2 330.516 4.007 20 0 EIADLP CC(C)[NH2+]C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450304370 1032401889 /nfs/dbraw/zinc/40/18/89/1032401889.db2.gz LURINYXOYRNKTP-UHFFFAOYSA-N 2 2 337.389 4.220 20 0 EIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529584469 1032467619 /nfs/dbraw/zinc/46/76/19/1032467619.db2.gz UHFGMSUTXROIAE-LLVKDONJSA-N 2 2 325.790 4.049 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)c(F)c(F)c1 ZINC000177934558 1032513338 /nfs/dbraw/zinc/51/33/38/1032513338.db2.gz PBHDNINONMHYLW-CYBMUJFWSA-N 2 2 345.368 4.200 20 0 EIADLP C[N@H+](CC/C=C\c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450470360 1032517407 /nfs/dbraw/zinc/51/74/07/1032517407.db2.gz RXJYWNYMAPEKTN-WDZFZDKYSA-N 2 2 349.522 4.124 20 0 EIADLP C[N@@H+](CC/C=C\c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450470360 1032517418 /nfs/dbraw/zinc/51/74/18/1032517418.db2.gz RXJYWNYMAPEKTN-WDZFZDKYSA-N 2 2 349.522 4.124 20 0 EIADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199514 1032524066 /nfs/dbraw/zinc/52/40/66/1032524066.db2.gz KZFNBGBFNARIHN-YWZLYKJASA-N 2 2 333.435 4.219 20 0 EIADLP C[C@H](CC[NH2+]Cc1ccc(Sc2ccccn2)o1)[NH+]1CCCCC1 ZINC000512415797 1032716118 /nfs/dbraw/zinc/71/61/18/1032716118.db2.gz ODGKNFAJANNZGJ-MRXNPFEDSA-N 2 2 345.512 4.180 20 0 EIADLP Fc1ccc(C([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000643547310 1018922333 /nfs/dbraw/zinc/92/23/33/1018922333.db2.gz CQOKPFPXHBVEBM-IBGZPJMESA-N 2 2 342.433 4.319 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274858816 1019795128 /nfs/dbraw/zinc/79/51/28/1019795128.db2.gz CMIGBAFCPZZDMX-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274858816 1019795146 /nfs/dbraw/zinc/79/51/46/1019795146.db2.gz CMIGBAFCPZZDMX-JTDSTZFVSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+]CCOC1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469765376 1032857148 /nfs/dbraw/zinc/85/71/48/1032857148.db2.gz SKWALIKFZCTEBJ-KRWDZBQOSA-N 2 2 327.472 4.262 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274968800 1019881881 /nfs/dbraw/zinc/88/18/81/1019881881.db2.gz IAXKHYVJVNEWJC-CQSZACIVSA-N 2 2 347.865 4.189 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)[C@H](C)C2 ZINC000180092576 1020050002 /nfs/dbraw/zinc/05/00/02/1020050002.db2.gz LKJCOHUQSVTESK-VGSWGCGISA-N 2 2 331.463 4.263 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)[C@@H](C)C2 ZINC000180092608 1020050090 /nfs/dbraw/zinc/05/00/90/1020050090.db2.gz LKJCOHUQSVTESK-JTSKRJEESA-N 2 2 331.463 4.263 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc3[nH]ccc32)CC1 ZINC000579885715 1020320204 /nfs/dbraw/zinc/32/02/04/1020320204.db2.gz HESAZGRTBYZRHN-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc3[nH]ccc32)CC1 ZINC000579885715 1020320209 /nfs/dbraw/zinc/32/02/09/1020320209.db2.gz HESAZGRTBYZRHN-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP CC(C)c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655683910 1020897074 /nfs/dbraw/zinc/89/70/74/1020897074.db2.gz XHGAUUPEDPKRFZ-FGZHOGPDSA-N 2 2 344.543 4.350 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000275597187 1020920794 /nfs/dbraw/zinc/92/07/94/1020920794.db2.gz KEJCRZOKWYDEOR-DLBZAZTESA-N 2 2 337.389 4.142 20 0 EIADLP c1cn(CCCC2CC[NH+](Cc3ccnc4ccccc34)CC2)c[nH+]1 ZINC000580245510 1021791314 /nfs/dbraw/zinc/79/13/14/1021791314.db2.gz RSTFQCCPWPOPMU-UHFFFAOYSA-N 2 2 334.467 4.124 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000414073545 1021807042 /nfs/dbraw/zinc/80/70/42/1021807042.db2.gz VZBZUNLGTVXPMS-RBUKOAKNSA-N 2 2 341.499 4.003 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010481 1021894043 /nfs/dbraw/zinc/89/40/43/1021894043.db2.gz CQSRADAHJHKFRQ-BEFAXECRSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010481 1021894047 /nfs/dbraw/zinc/89/40/47/1021894047.db2.gz CQSRADAHJHKFRQ-BEFAXECRSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Cl)cc1Cl ZINC000377799699 1022011775 /nfs/dbraw/zinc/01/17/75/1022011775.db2.gz YFXZWOGTRIJNDI-RKDXNWHRSA-N 2 2 328.218 4.064 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1OC1CCCC1)CCC2 ZINC000377837410 1022044165 /nfs/dbraw/zinc/04/41/65/1022044165.db2.gz MKTLKSWIYXSKLK-SFHVURJKSA-N 2 2 339.483 4.180 20 0 EIADLP COc1cc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000271216071 1022302177 /nfs/dbraw/zinc/30/21/77/1022302177.db2.gz XOLPBOOPRBSBLT-UHFFFAOYSA-N 2 2 340.254 4.105 20 0 EIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000684020014 1022356060 /nfs/dbraw/zinc/35/60/60/1022356060.db2.gz DPYQVGAWAKZZNX-SFHVURJKSA-N 2 2 325.500 4.112 20 0 EIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000684020014 1022356085 /nfs/dbraw/zinc/35/60/85/1022356085.db2.gz DPYQVGAWAKZZNX-SFHVURJKSA-N 2 2 325.500 4.112 20 0 EIADLP Fc1ccc(S[C@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000623850112 1022444595 /nfs/dbraw/zinc/44/45/95/1022444595.db2.gz YEBVMBGSANZMIS-MSOLQXFVSA-N 2 2 333.476 4.105 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011894 1022650669 /nfs/dbraw/zinc/65/06/69/1022650669.db2.gz DITQGLIDHBXSLG-QAPCUYQASA-N 2 2 344.886 4.046 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000398011894 1022650680 /nfs/dbraw/zinc/65/06/80/1022650680.db2.gz DITQGLIDHBXSLG-QAPCUYQASA-N 2 2 344.886 4.046 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1)CCC2 ZINC000414357436 1022708860 /nfs/dbraw/zinc/70/88/60/1022708860.db2.gz JLZDZQOMZGNNCM-OAHLLOKOSA-N 2 2 337.389 4.186 20 0 EIADLP Cc1[nH]c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)nc1-c1ccccc1 ZINC000378355748 1022742568 /nfs/dbraw/zinc/74/25/68/1022742568.db2.gz QEVIBLBUDIKQDW-RBUKOAKNSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)nc1-c1ccccc1 ZINC000378355748 1022742575 /nfs/dbraw/zinc/74/25/75/1022742575.db2.gz QEVIBLBUDIKQDW-RBUKOAKNSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355748 1022742589 /nfs/dbraw/zinc/74/25/89/1022742589.db2.gz QEVIBLBUDIKQDW-RBUKOAKNSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355748 1022742596 /nfs/dbraw/zinc/74/25/96/1022742596.db2.gz QEVIBLBUDIKQDW-RBUKOAKNSA-N 2 2 338.499 4.006 20 0 EIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000472601724 1022780013 /nfs/dbraw/zinc/78/00/13/1022780013.db2.gz NXTFGMHFAYSQEQ-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000472601724 1022780038 /nfs/dbraw/zinc/78/00/38/1022780038.db2.gz NXTFGMHFAYSQEQ-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C(C)(C)c3cccc(F)c3)sc2C1 ZINC000378644083 1022904320 /nfs/dbraw/zinc/90/43/20/1022904320.db2.gz BUKURPIZUUMABD-UHFFFAOYSA-N 2 2 347.503 4.074 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C(C)(C)c3cccc(F)c3)sc2C1 ZINC000378644083 1022904342 /nfs/dbraw/zinc/90/43/42/1022904342.db2.gz BUKURPIZUUMABD-UHFFFAOYSA-N 2 2 347.503 4.074 20 0 EIADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143485782 1023349304 /nfs/dbraw/zinc/34/93/04/1023349304.db2.gz KZVAHKJXZFZUQF-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143485782 1023349309 /nfs/dbraw/zinc/34/93/09/1023349309.db2.gz KZVAHKJXZFZUQF-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1Cl ZINC000152783928 1023352124 /nfs/dbraw/zinc/35/21/24/1023352124.db2.gz RLFRCOKRPAVYCF-GFCCVEGCSA-N 2 2 338.282 4.420 20 0 EIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660258049 1023394467 /nfs/dbraw/zinc/39/44/67/1023394467.db2.gz YVVYQIVNLLVQSE-LSDHHAIUSA-N 2 2 329.513 4.039 20 0 EIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660258049 1023394473 /nfs/dbraw/zinc/39/44/73/1023394473.db2.gz YVVYQIVNLLVQSE-LSDHHAIUSA-N 2 2 329.513 4.039 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(O)cc(F)c2)cc1F ZINC000364177983 1023461067 /nfs/dbraw/zinc/46/10/67/1023461067.db2.gz CRJOVNWSDQHQJE-GFCCVEGCSA-N 2 2 343.377 4.015 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(O)cc(F)c2)cc1F ZINC000364177986 1023461999 /nfs/dbraw/zinc/46/19/99/1023461999.db2.gz CRJOVNWSDQHQJE-LBPRGKRZSA-N 2 2 343.377 4.015 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)cs2)cc1 ZINC000500130139 1023525190 /nfs/dbraw/zinc/52/51/90/1023525190.db2.gz IXCNCAOJPBXSDA-KRWDZBQOSA-N 2 2 343.540 4.330 20 0 EIADLP C[C@@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397914471 1023588084 /nfs/dbraw/zinc/58/80/84/1023588084.db2.gz GAIIAFQKVGOVAD-QHCPKHFHSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[N@H+]1Cc1ccccc1 ZINC000397914471 1023588087 /nfs/dbraw/zinc/58/80/87/1023588087.db2.gz GAIIAFQKVGOVAD-QHCPKHFHSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000783237119 1023620716 /nfs/dbraw/zinc/62/07/16/1023620716.db2.gz QHJHMEACFURGIF-HTAPYJJXSA-N 2 2 331.463 4.487 20 0 EIADLP Fc1ccc(Oc2ccccc2C[NH2+]CCn2cc[nH+]c2)c(Cl)c1 ZINC000461401706 1023657729 /nfs/dbraw/zinc/65/77/29/1023657729.db2.gz UCKPWLMQIOMFHT-UHFFFAOYSA-N 2 2 345.805 4.258 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cncc(C)c2)c(C)c1 ZINC000343864879 1023673565 /nfs/dbraw/zinc/67/35/65/1023673565.db2.gz RAZZQCIHQUABOJ-NQIIRXRSSA-N 2 2 334.467 4.295 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C2 ZINC000364372764 1023690965 /nfs/dbraw/zinc/69/09/65/1023690965.db2.gz FHUOMVDDJZBNOK-FPOVZHCZSA-N 2 2 335.426 4.025 20 0 EIADLP COc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1Cl ZINC000660430370 1023772279 /nfs/dbraw/zinc/77/22/79/1023772279.db2.gz NOFLQFHCFRBQOK-UHFFFAOYSA-N 2 2 346.858 4.095 20 0 EIADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000194868571 1023789294 /nfs/dbraw/zinc/78/92/94/1023789294.db2.gz OQPWMYDGTKVGPB-HXUWFJFHSA-N 2 2 333.435 4.048 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnc2ccsc2c1 ZINC000126476543 1023850616 /nfs/dbraw/zinc/85/06/16/1023850616.db2.gz PRDFEESLXSPVNN-AWEZNQCLSA-N 2 2 338.480 4.011 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000581934597 1023904458 /nfs/dbraw/zinc/90/44/58/1023904458.db2.gz ZFOVXGOVFPKUFJ-SIKLNZKXSA-N 2 2 331.463 4.160 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000581934597 1023904468 /nfs/dbraw/zinc/90/44/68/1023904468.db2.gz ZFOVXGOVFPKUFJ-SIKLNZKXSA-N 2 2 331.463 4.160 20 0 EIADLP CSc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679196 1024009708 /nfs/dbraw/zinc/00/97/08/1024009708.db2.gz INSNNEYDBZRTCO-UHFFFAOYSA-N 2 2 326.509 4.163 20 0 EIADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790263 1024022670 /nfs/dbraw/zinc/02/26/70/1024022670.db2.gz PHTMCYBFXGYMED-SJJHQCBESA-N 2 2 332.454 4.350 20 0 EIADLP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790261 1024024894 /nfs/dbraw/zinc/02/48/94/1024024894.db2.gz PHTMCYBFXGYMED-BHUNQDJPSA-N 2 2 332.454 4.350 20 0 EIADLP c1ccc(-c2nc3c(s2)C[N@H+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000661541996 1024224082 /nfs/dbraw/zinc/22/40/82/1024224082.db2.gz VFABOFVJMUEERA-UHFFFAOYSA-N 2 2 341.524 4.044 20 0 EIADLP c1ccc(-c2nc3c(s2)C[N@@H+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC000661541996 1024224095 /nfs/dbraw/zinc/22/40/95/1024224095.db2.gz VFABOFVJMUEERA-UHFFFAOYSA-N 2 2 341.524 4.044 20 0 EIADLP CC(C)[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000276814214 1024332269 /nfs/dbraw/zinc/33/22/69/1024332269.db2.gz ADETYAUHYDUGOX-XLIONFOSSA-N 2 2 347.572 4.159 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473132029 1024349025 /nfs/dbraw/zinc/34/90/25/1024349025.db2.gz JDNGIDKBTFMNCN-SFHVURJKSA-N 2 2 336.483 4.381 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473132029 1024349037 /nfs/dbraw/zinc/34/90/37/1024349037.db2.gz JDNGIDKBTFMNCN-SFHVURJKSA-N 2 2 336.483 4.381 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510736761 1024380032 /nfs/dbraw/zinc/38/00/32/1024380032.db2.gz RFGWTPIKFYZAIN-DQLDELGASA-N 2 2 326.459 4.296 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510736761 1024380048 /nfs/dbraw/zinc/38/00/48/1024380048.db2.gz RFGWTPIKFYZAIN-DQLDELGASA-N 2 2 326.459 4.296 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2cc(Br)ccc2o1 ZINC000020506182 1024482676 /nfs/dbraw/zinc/48/26/76/1024482676.db2.gz FEKZBOIOCAWHPK-LBPRGKRZSA-N 2 2 348.244 4.133 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000926320190 1025219485 /nfs/dbraw/zinc/21/94/85/1025219485.db2.gz GTBONDWHNGJENV-NSHDSACASA-N 2 2 340.364 4.155 20 0 EIADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3)cs2)cs1 ZINC000151129850 1025268215 /nfs/dbraw/zinc/26/82/15/1025268215.db2.gz CNCYSXPYVJQEHA-LBPRGKRZSA-N 2 2 332.498 4.117 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151316344 1025281470 /nfs/dbraw/zinc/28/14/70/1025281470.db2.gz CBWQEEZLSGGINK-NRFANRHFSA-N 2 2 347.462 4.243 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151335097 1025283912 /nfs/dbraw/zinc/28/39/12/1025283912.db2.gz WUSOVEUFWAKEPQ-OAQYLSRUSA-N 2 2 347.462 4.243 20 0 EIADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000511028119 1025686837 /nfs/dbraw/zinc/68/68/37/1025686837.db2.gz KWIAAUDTFLRGAI-SJORKVTESA-N 2 2 326.484 4.042 20 0 EIADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000511028117 1025687528 /nfs/dbraw/zinc/68/75/28/1025687528.db2.gz KWIAAUDTFLRGAI-IAGOWNOFSA-N 2 2 326.484 4.042 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000512056045 1025857725 /nfs/dbraw/zinc/85/77/25/1025857725.db2.gz FFDYIXVGJMFVKQ-OBMFMMATSA-N 2 2 343.559 4.344 20 0 EIADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000512056045 1025857729 /nfs/dbraw/zinc/85/77/29/1025857729.db2.gz FFDYIXVGJMFVKQ-OBMFMMATSA-N 2 2 343.559 4.344 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432410832 1025879391 /nfs/dbraw/zinc/87/93/91/1025879391.db2.gz SBJUUKBUTORKOC-QZTJIDSGSA-N 2 2 344.499 4.201 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432410832 1025879398 /nfs/dbraw/zinc/87/93/98/1025879398.db2.gz SBJUUKBUTORKOC-QZTJIDSGSA-N 2 2 344.499 4.201 20 0 EIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(CC)CC ZINC000344029916 1025886046 /nfs/dbraw/zinc/88/60/46/1025886046.db2.gz CYONWNXESOBQFE-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000164175965 1025888667 /nfs/dbraw/zinc/88/86/67/1025888667.db2.gz ITFSAHKAFRZVGH-LAUBAEHRSA-N 2 2 334.467 4.358 20 0 EIADLP Cc1sc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc1C(C)C ZINC000344129781 1026042760 /nfs/dbraw/zinc/04/27/60/1026042760.db2.gz UWOFUWPWBNRVQD-UHFFFAOYSA-N 2 2 332.498 4.112 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCS2 ZINC000152216148 1026199530 /nfs/dbraw/zinc/19/95/30/1026199530.db2.gz IYRDWMWOTGGZHU-KRWDZBQOSA-N 2 2 339.439 4.338 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2ccccc2[C@H]1C ZINC001167867420 1026354000 /nfs/dbraw/zinc/35/40/00/1026354000.db2.gz HDOKUVCFLDUCHS-QGZVFWFLSA-N 2 2 333.435 4.136 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2ccccc2[C@H]1C ZINC001167867420 1026354010 /nfs/dbraw/zinc/35/40/10/1026354010.db2.gz HDOKUVCFLDUCHS-QGZVFWFLSA-N 2 2 333.435 4.136 20 0 EIADLP CCC(CC)[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562662 1026435395 /nfs/dbraw/zinc/43/53/95/1026435395.db2.gz OJUXEPQJLHZRJY-QFIPXVFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562662 1026435404 /nfs/dbraw/zinc/43/54/04/1026435404.db2.gz OJUXEPQJLHZRJY-QFIPXVFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562662 1026435417 /nfs/dbraw/zinc/43/54/17/1026435417.db2.gz OJUXEPQJLHZRJY-QFIPXVFZSA-N 2 2 346.559 4.424 20 0 EIADLP CCC(CC)[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562662 1026435423 /nfs/dbraw/zinc/43/54/23/1026435423.db2.gz OJUXEPQJLHZRJY-QFIPXVFZSA-N 2 2 346.559 4.424 20 0 EIADLP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)[nH]c2c1 ZINC000657413117 1026562468 /nfs/dbraw/zinc/56/24/68/1026562468.db2.gz TVFIMPUPLKDMCL-KRWDZBQOSA-N 2 2 348.494 4.187 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001167573601 1026620579 /nfs/dbraw/zinc/62/05/79/1026620579.db2.gz WFFQYOZDPOICQI-IIBYNOLFSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001167573601 1026620586 /nfs/dbraw/zinc/62/05/86/1026620586.db2.gz WFFQYOZDPOICQI-IIBYNOLFSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573601 1026620592 /nfs/dbraw/zinc/62/05/92/1026620592.db2.gz WFFQYOZDPOICQI-IIBYNOLFSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573601 1026620598 /nfs/dbraw/zinc/62/05/98/1026620598.db2.gz WFFQYOZDPOICQI-IIBYNOLFSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Br)c1 ZINC000512354655 1026788212 /nfs/dbraw/zinc/78/82/12/1026788212.db2.gz ICRNZVDTXLUYGG-CYBMUJFWSA-N 2 2 348.288 4.155 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000507460079 1026800850 /nfs/dbraw/zinc/80/08/50/1026800850.db2.gz HMXZSRASSHJQSX-SFHVURJKSA-N 2 2 337.511 4.002 20 0 EIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152750739 1026835247 /nfs/dbraw/zinc/83/52/47/1026835247.db2.gz UKCRTXLBKWUCFO-CYBMUJFWSA-N 2 2 332.517 4.001 20 0 EIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)F)cc1 ZINC000152810638 1026854870 /nfs/dbraw/zinc/85/48/70/1026854870.db2.gz VJQRSLCTAMNLDM-KRWDZBQOSA-N 2 2 349.425 4.104 20 0 EIADLP FC(F)(F)c1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000075758033 1027065654 /nfs/dbraw/zinc/06/56/54/1027065654.db2.gz VXRINNOSLFSMRK-UHFFFAOYSA-N 2 2 345.368 4.240 20 0 EIADLP C[N@@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301890925 1027134349 /nfs/dbraw/zinc/13/43/49/1027134349.db2.gz RALLHAGOKXDFEM-DYVFJYSZSA-N 2 2 326.469 4.119 20 0 EIADLP C[N@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301890925 1027134365 /nfs/dbraw/zinc/13/43/65/1027134365.db2.gz RALLHAGOKXDFEM-DYVFJYSZSA-N 2 2 326.469 4.119 20 0 EIADLP Cc1[nH+]c2ccccc2c(NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000302109915 1027221880 /nfs/dbraw/zinc/22/18/80/1027221880.db2.gz ZDGHQFLAYIERIC-UHFFFAOYSA-N 2 2 332.451 4.459 20 0 EIADLP Cc1cccc(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235519 1027274900 /nfs/dbraw/zinc/27/49/00/1027274900.db2.gz IGWLDHHJQLDERW-KDOFPFPSSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cccc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235519 1027274939 /nfs/dbraw/zinc/27/49/39/1027274939.db2.gz IGWLDHHJQLDERW-KDOFPFPSSA-N 2 2 333.838 4.287 20 0 EIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000520204858 1027314886 /nfs/dbraw/zinc/31/48/86/1027314886.db2.gz KBKNOEWNXUKMHU-CALCHBBNSA-N 2 2 343.540 4.268 20 0 EIADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000520204858 1027314918 /nfs/dbraw/zinc/31/49/18/1027314918.db2.gz KBKNOEWNXUKMHU-CALCHBBNSA-N 2 2 343.540 4.268 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078517337 1027455519 /nfs/dbraw/zinc/45/55/19/1027455519.db2.gz UTNOSAMYWDMXFL-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000643344979 1027564490 /nfs/dbraw/zinc/56/44/90/1027564490.db2.gz DBBMSUUTTOVGDU-SJLPKXTDSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000643344979 1027564508 /nfs/dbraw/zinc/56/45/08/1027564508.db2.gz DBBMSUUTTOVGDU-SJLPKXTDSA-N 2 2 343.902 4.298 20 0 EIADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000475563111 1027628831 /nfs/dbraw/zinc/62/88/31/1027628831.db2.gz PZSGLAOCXAYMMM-WBVHZDCISA-N 2 2 341.455 4.499 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)cc1F ZINC000153692242 1027878538 /nfs/dbraw/zinc/87/85/38/1027878538.db2.gz NWWBQYYWVYFDSM-LBPRGKRZSA-N 2 2 345.368 4.449 20 0 EIADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2c(Cl)cccc2Cl)n1C ZINC000583095414 1027992086 /nfs/dbraw/zinc/99/20/86/1027992086.db2.gz JNHJLRDLHFTWKP-UHFFFAOYSA-N 2 2 326.271 4.103 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000189249253 1028106824 /nfs/dbraw/zinc/10/68/24/1028106824.db2.gz RASQINMUOKMDOC-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000346152813 1028285380 /nfs/dbraw/zinc/28/53/80/1028285380.db2.gz CPIYUCGFOZVTIX-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000346152813 1028285396 /nfs/dbraw/zinc/28/53/96/1028285396.db2.gz CPIYUCGFOZVTIX-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3c3cccs3)sc2C1 ZINC000346171824 1028303120 /nfs/dbraw/zinc/30/31/20/1028303120.db2.gz BKGDVJWZGPUIJA-OAHLLOKOSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3c3cccs3)sc2C1 ZINC000346171824 1028303158 /nfs/dbraw/zinc/30/31/58/1028303158.db2.gz BKGDVJWZGPUIJA-OAHLLOKOSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)sc2C1 ZINC000346171824 1028303179 /nfs/dbraw/zinc/30/31/79/1028303179.db2.gz BKGDVJWZGPUIJA-OAHLLOKOSA-N 2 2 347.553 4.308 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3c3cccs3)sc2C1 ZINC000346171824 1028303200 /nfs/dbraw/zinc/30/32/00/1028303200.db2.gz BKGDVJWZGPUIJA-OAHLLOKOSA-N 2 2 347.553 4.308 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273902 1028346691 /nfs/dbraw/zinc/34/66/91/1028346691.db2.gz IYSNZKKOVRECLB-DYVFJYSZSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273902 1028346709 /nfs/dbraw/zinc/34/67/09/1028346709.db2.gz IYSNZKKOVRECLB-DYVFJYSZSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000583408923 1028670182 /nfs/dbraw/zinc/67/01/82/1028670182.db2.gz SOCAQIYBBRTCIA-GOSISDBHSA-N 2 2 338.480 4.220 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000583408923 1028670189 /nfs/dbraw/zinc/67/01/89/1028670189.db2.gz SOCAQIYBBRTCIA-GOSISDBHSA-N 2 2 338.480 4.220 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1)C2 ZINC000156883669 1028863420 /nfs/dbraw/zinc/86/34/20/1028863420.db2.gz ATPGUWUUDVXVCE-NVXWUHKLSA-N 2 2 327.472 4.034 20 0 EIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214710 1028944087 /nfs/dbraw/zinc/94/40/87/1028944087.db2.gz QCFGQXKNOHLGRC-JSGCOSHPSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214710 1028944102 /nfs/dbraw/zinc/94/41/02/1028944102.db2.gz QCFGQXKNOHLGRC-JSGCOSHPSA-N 2 2 335.904 4.023 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC000650763811 1029267607 /nfs/dbraw/zinc/26/76/07/1029267607.db2.gz KAWXEJYKXXBTDE-IRXDYDNUSA-N 2 2 332.369 4.429 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427882758 1029302409 /nfs/dbraw/zinc/30/24/09/1029302409.db2.gz BZAQNKCYIZCFFR-GXSJLCMTSA-N 2 2 342.295 4.233 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](c3ncccc3C)C1)CCC2 ZINC000343492942 1029363529 /nfs/dbraw/zinc/36/35/29/1029363529.db2.gz QOZVQFUXTZSVPX-QYZOEREBSA-N 2 2 338.499 4.088 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CCC3CCCCC3)C2)CC1 ZINC000475333478 1029544509 /nfs/dbraw/zinc/54/45/09/1029544509.db2.gz CNAIMLDMQFBNGX-UHFFFAOYSA-N 2 2 332.454 4.352 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475332812 1029560092 /nfs/dbraw/zinc/56/00/92/1029560092.db2.gz KOEXKZYKHGEYDO-QFWMXSHPSA-N 2 2 346.359 4.112 20 0 EIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351875 1029569647 /nfs/dbraw/zinc/56/96/47/1029569647.db2.gz MXNWKNCVADQVTE-AGERRDQYSA-N 2 2 344.465 4.374 20 0 EIADLP CCc1[nH+]c2ccccc2c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000548817858 1029625791 /nfs/dbraw/zinc/62/57/91/1029625791.db2.gz HPJDPQXYJBBRCH-FOIQADDNSA-N 2 2 334.467 4.390 20 0 EIADLP CCc1[nH+]c2ccccc2c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000548817861 1029626615 /nfs/dbraw/zinc/62/66/15/1029626615.db2.gz HPJDPQXYJBBRCH-YWZLYKJASA-N 2 2 334.467 4.390 20 0 EIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446913030 1029637696 /nfs/dbraw/zinc/63/76/96/1029637696.db2.gz BWXGJKRTVMZUTJ-VGSWGCGISA-N 2 2 341.543 4.093 20 0 EIADLP CC[N@@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H](C)C1 ZINC000446925011 1029641492 /nfs/dbraw/zinc/64/14/92/1029641492.db2.gz LCVUOLBWAQSNAR-OXQOHEQNSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H](C)C1 ZINC000446925011 1029641498 /nfs/dbraw/zinc/64/14/98/1029641498.db2.gz LCVUOLBWAQSNAR-OXQOHEQNSA-N 2 2 338.499 4.029 20 0 EIADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000657833380 1029658794 /nfs/dbraw/zinc/65/87/94/1029658794.db2.gz FRMMYELSINSMQD-NEPJUHHUSA-N 2 2 345.796 4.165 20 0 EIADLP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000301066327 1029662438 /nfs/dbraw/zinc/66/24/38/1029662438.db2.gz QQDSLLBGGDNPRH-OAHLLOKOSA-N 2 2 330.501 4.219 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(C)c3ncccc3c2)CC1 ZINC000447064982 1029679533 /nfs/dbraw/zinc/67/95/33/1029679533.db2.gz CSOSCDBKRNTESG-UHFFFAOYSA-N 2 2 347.462 4.290 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000584260952 1029699045 /nfs/dbraw/zinc/69/90/45/1029699045.db2.gz FIPUDYPJOGFUJB-OAQYLSRUSA-N 2 2 349.478 4.030 20 0 EIADLP Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2[nH+]1 ZINC000080948747 1029764897 /nfs/dbraw/zinc/76/48/97/1029764897.db2.gz AONDXXYTBNSGKM-UHFFFAOYSA-N 2 2 328.419 4.400 20 0 EIADLP CCc1cc(NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000301790514 1029809446 /nfs/dbraw/zinc/80/94/46/1029809446.db2.gz NCKDOUYKMSZEQS-UHFFFAOYSA-N 2 2 332.451 4.273 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000090667247 1029868276 /nfs/dbraw/zinc/86/82/76/1029868276.db2.gz CYSADXCXCNXIQX-HNAYVOBHSA-N 2 2 341.524 4.336 20 0 EIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1Cl ZINC000450877504 1030082950 /nfs/dbraw/zinc/08/29/50/1030082950.db2.gz TXRIJKJNJVTKFP-UHFFFAOYSA-N 2 2 346.858 4.095 20 0 EIADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC001143456916 1030160793 /nfs/dbraw/zinc/16/07/93/1030160793.db2.gz CJBFEHANHNYPQM-QGZVFWFLSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC001143456916 1030160806 /nfs/dbraw/zinc/16/08/06/1030160806.db2.gz CJBFEHANHNYPQM-QGZVFWFLSA-N 2 2 336.357 4.062 20 0 EIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000392518776 1030307539 /nfs/dbraw/zinc/30/75/39/1030307539.db2.gz ICANORAXRKDVDH-UHFFFAOYSA-N 2 2 343.496 4.376 20 0 EIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000392518776 1030307559 /nfs/dbraw/zinc/30/75/59/1030307559.db2.gz ICANORAXRKDVDH-UHFFFAOYSA-N 2 2 343.496 4.376 20 0 EIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447893709 1030403276 /nfs/dbraw/zinc/40/32/76/1030403276.db2.gz PLPJFSJRWVDXRO-LSDHHAIUSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447893709 1030403296 /nfs/dbraw/zinc/40/32/96/1030403296.db2.gz PLPJFSJRWVDXRO-LSDHHAIUSA-N 2 2 335.561 4.183 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nc(C)cs1 ZINC000192176945 1030678709 /nfs/dbraw/zinc/67/87/09/1030678709.db2.gz QKTXOYLTNSCPSD-KRWDZBQOSA-N 2 2 326.469 4.187 20 0 EIADLP FC1(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000527517992 1030742169 /nfs/dbraw/zinc/74/21/69/1030742169.db2.gz IESCVDBAXCWGKU-UHFFFAOYSA-N 2 2 335.426 4.190 20 0 EIADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC000527750965 1030842638 /nfs/dbraw/zinc/84/26/38/1030842638.db2.gz CVWDJLFUGVCPSN-SLYNCCJLSA-N 2 2 327.516 4.104 20 0 EIADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC000527750965 1030842641 /nfs/dbraw/zinc/84/26/41/1030842641.db2.gz CVWDJLFUGVCPSN-SLYNCCJLSA-N 2 2 327.516 4.104 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ncccc1F ZINC000528035369 1031051247 /nfs/dbraw/zinc/05/12/47/1031051247.db2.gz GSJUKVARRIWILE-KANFNMMFSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ncccc1F ZINC000528035369 1031051266 /nfs/dbraw/zinc/05/12/66/1031051266.db2.gz GSJUKVARRIWILE-KANFNMMFSA-N 2 2 339.458 4.067 20 0 EIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Br ZINC000532479818 1031214215 /nfs/dbraw/zinc/21/42/15/1031214215.db2.gz WOPHLYSIKZQJNS-MRXNPFEDSA-N 2 2 336.277 4.167 20 0 EIADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000628230709 1031246501 /nfs/dbraw/zinc/24/65/01/1031246501.db2.gz QHSLIJQJNSNKLZ-GGPKGHCWSA-N 2 2 329.532 4.413 20 0 EIADLP COc1cccc2c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cccc12 ZINC000449075526 1031428889 /nfs/dbraw/zinc/42/88/89/1031428889.db2.gz FFXRVTKBIOTIEB-UHFFFAOYSA-N 2 2 347.462 4.002 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000531700391 1031485409 /nfs/dbraw/zinc/48/54/09/1031485409.db2.gz FWXQANJRRLAUFT-HNNXBMFYSA-N 2 2 326.469 4.138 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066974 1031530518 /nfs/dbraw/zinc/53/05/18/1031530518.db2.gz RJAZAWDFGNBOHT-BZSNNMDCSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066974 1031530531 /nfs/dbraw/zinc/53/05/31/1031530531.db2.gz RJAZAWDFGNBOHT-BZSNNMDCSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453055563 1031545339 /nfs/dbraw/zinc/54/53/39/1031545339.db2.gz JVPSATWGLQPBLC-QZTJIDSGSA-N 2 2 334.467 4.329 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000453062543 1031554532 /nfs/dbraw/zinc/55/45/32/1031554532.db2.gz UHOXVKAOYZCWOW-KNQAVFIVSA-N 2 2 337.511 4.220 20 0 EIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000449296271 1031606087 /nfs/dbraw/zinc/60/60/87/1031606087.db2.gz YIYXWMBSCORPIU-OFLPRAFFSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000453128516 1031631283 /nfs/dbraw/zinc/63/12/83/1031631283.db2.gz WWXXWVJSOWUINX-ROUUACIJSA-N 2 2 334.467 4.329 20 0 EIADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)o1 ZINC000449339956 1031639301 /nfs/dbraw/zinc/63/93/01/1031639301.db2.gz LYNROINFMSHRJT-UHFFFAOYSA-N 2 2 335.536 4.314 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1F ZINC000449372193 1031667477 /nfs/dbraw/zinc/66/74/77/1031667477.db2.gz DINFQTGBHDUNJW-CQSZACIVSA-N 2 2 347.503 4.208 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1F ZINC000449372193 1031667485 /nfs/dbraw/zinc/66/74/85/1031667485.db2.gz DINFQTGBHDUNJW-CQSZACIVSA-N 2 2 347.503 4.208 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccncc1 ZINC000453168976 1031675501 /nfs/dbraw/zinc/67/55/01/1031675501.db2.gz KCHMGJHRSOYZGI-RTWAWAEBSA-N 2 2 334.467 4.377 20 0 EIADLP CCCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449526848 1031823616 /nfs/dbraw/zinc/82/36/16/1031823616.db2.gz XXMAEPWJBAZVEM-IBGZPJMESA-N 2 2 345.531 4.168 20 0 EIADLP CC1(C)Cc2occc2[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000132160424 1031903790 /nfs/dbraw/zinc/90/37/90/1031903790.db2.gz WFMIXWRLQAUVBM-IBGZPJMESA-N 2 2 349.478 4.370 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000459366706 1031962187 /nfs/dbraw/zinc/96/21/87/1031962187.db2.gz LKNHRIBZKVAALM-QGZVFWFLSA-N 2 2 337.389 4.209 20 0 EIADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000459366706 1031962195 /nfs/dbraw/zinc/96/21/95/1031962195.db2.gz LKNHRIBZKVAALM-QGZVFWFLSA-N 2 2 337.389 4.209 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000459366704 1031963345 /nfs/dbraw/zinc/96/33/45/1031963345.db2.gz LKNHRIBZKVAALM-KRWDZBQOSA-N 2 2 337.389 4.209 20 0 EIADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000459366704 1031963364 /nfs/dbraw/zinc/96/33/64/1031963364.db2.gz LKNHRIBZKVAALM-KRWDZBQOSA-N 2 2 337.389 4.209 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449775331 1031997812 /nfs/dbraw/zinc/99/78/12/1031997812.db2.gz MDNUTJDANSKKBK-OAHLLOKOSA-N 2 2 329.513 4.069 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449775331 1031997824 /nfs/dbraw/zinc/99/78/24/1031997824.db2.gz MDNUTJDANSKKBK-OAHLLOKOSA-N 2 2 329.513 4.069 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063620 1033301562 /nfs/dbraw/zinc/30/15/62/1033301562.db2.gz NSNJOJZRAQIOIC-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063620 1033301579 /nfs/dbraw/zinc/30/15/79/1033301579.db2.gz NSNJOJZRAQIOIC-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063620 1033301597 /nfs/dbraw/zinc/30/15/97/1033301597.db2.gz NSNJOJZRAQIOIC-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063620 1033301616 /nfs/dbraw/zinc/30/16/16/1033301616.db2.gz NSNJOJZRAQIOIC-CYBMUJFWSA-N 2 2 337.920 4.113 20 0 EIADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000236963159 1033720406 /nfs/dbraw/zinc/72/04/06/1033720406.db2.gz IJQQNXGXLHUKMY-IEBWSBKVSA-N 2 2 329.532 4.280 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759841 1033867314 /nfs/dbraw/zinc/86/73/14/1033867314.db2.gz GKMKHQXZCSNSMD-KBXCAEBGSA-N 2 2 331.891 4.050 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759841 1033867319 /nfs/dbraw/zinc/86/73/19/1033867319.db2.gz GKMKHQXZCSNSMD-KBXCAEBGSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759841 1033867321 /nfs/dbraw/zinc/86/73/21/1033867321.db2.gz GKMKHQXZCSNSMD-KBXCAEBGSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759841 1033867325 /nfs/dbraw/zinc/86/73/25/1033867325.db2.gz GKMKHQXZCSNSMD-KBXCAEBGSA-N 2 2 331.891 4.050 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759846 1033867394 /nfs/dbraw/zinc/86/73/94/1033867394.db2.gz GKMKHQXZCSNSMD-KSSFIOAISA-N 2 2 331.891 4.050 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759846 1033867399 /nfs/dbraw/zinc/86/73/99/1033867399.db2.gz GKMKHQXZCSNSMD-KSSFIOAISA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759846 1033867400 /nfs/dbraw/zinc/86/74/00/1033867400.db2.gz GKMKHQXZCSNSMD-KSSFIOAISA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)[C@@H](C)C1 ZINC000512759846 1033867406 /nfs/dbraw/zinc/86/74/06/1033867406.db2.gz GKMKHQXZCSNSMD-KSSFIOAISA-N 2 2 331.891 4.050 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000512768722 1033893498 /nfs/dbraw/zinc/89/34/98/1033893498.db2.gz HYZHLHRXZYLVKK-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000512768722 1033893503 /nfs/dbraw/zinc/89/35/03/1033893503.db2.gz HYZHLHRXZYLVKK-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512768722 1033893506 /nfs/dbraw/zinc/89/35/06/1033893506.db2.gz HYZHLHRXZYLVKK-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000512768722 1033893510 /nfs/dbraw/zinc/89/35/10/1033893510.db2.gz HYZHLHRXZYLVKK-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C)o1 ZINC000411513443 1033952760 /nfs/dbraw/zinc/95/27/60/1033952760.db2.gz OWJZCMCBSAMFTJ-FQEVSTJZSA-N 2 2 342.483 4.051 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1F ZINC000345183835 1035146632 /nfs/dbraw/zinc/14/66/32/1035146632.db2.gz BSWOHHFIPBVEKP-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290232 1035499639 /nfs/dbraw/zinc/49/96/39/1035499639.db2.gz LPYZOFZVAFKCKA-OLZOCXBDSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290232 1035499649 /nfs/dbraw/zinc/49/96/49/1035499649.db2.gz LPYZOFZVAFKCKA-OLZOCXBDSA-N 2 2 335.904 4.023 20 0 EIADLP CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420320167 1035512121 /nfs/dbraw/zinc/51/21/21/1035512121.db2.gz YLEFMKXUWOSRJH-AWEZNQCLSA-N 2 2 349.931 4.428 20 0 EIADLP CC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420320167 1035512143 /nfs/dbraw/zinc/51/21/43/1035512143.db2.gz YLEFMKXUWOSRJH-AWEZNQCLSA-N 2 2 349.931 4.428 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000163950672 1035547992 /nfs/dbraw/zinc/54/79/92/1035547992.db2.gz OQHSDRACCASCPY-MRXNPFEDSA-N 2 2 344.886 4.023 20 0 EIADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000575028278 1035656686 /nfs/dbraw/zinc/65/66/86/1035656686.db2.gz ZNSBEFRIECIUGQ-UHFFFAOYSA-N 2 2 337.920 4.237 20 0 EIADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000575028278 1035656695 /nfs/dbraw/zinc/65/66/95/1035656695.db2.gz ZNSBEFRIECIUGQ-UHFFFAOYSA-N 2 2 337.920 4.237 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000572454668 1036538264 /nfs/dbraw/zinc/53/82/64/1036538264.db2.gz OXPPLZCGBODXFT-ORFBVSJDSA-N 2 2 344.543 4.021 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421801379 1036761316 /nfs/dbraw/zinc/76/13/16/1036761316.db2.gz KTMQLKKGTPFEON-HNNXBMFYSA-N 2 2 329.875 4.050 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421801380 1036762483 /nfs/dbraw/zinc/76/24/83/1036762483.db2.gz KTMQLKKGTPFEON-OAHLLOKOSA-N 2 2 329.875 4.050 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827280 1036780223 /nfs/dbraw/zinc/78/02/23/1036780223.db2.gz XDDJVPSLXACHIE-LSDHHAIUSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827280 1036780245 /nfs/dbraw/zinc/78/02/45/1036780245.db2.gz XDDJVPSLXACHIE-LSDHHAIUSA-N 2 2 349.931 4.359 20 0 EIADLP CSCC1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000590646888 1037129893 /nfs/dbraw/zinc/12/98/93/1037129893.db2.gz TVUJNQOULWVMSF-KVZIAJEVSA-N 2 2 343.540 4.215 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](C)C2 ZINC000272310295 1037155218 /nfs/dbraw/zinc/15/52/18/1037155218.db2.gz RJHJFZJNCLENPL-HTAPYJJXSA-N 2 2 331.463 4.263 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303048 1037497568 /nfs/dbraw/zinc/49/75/68/1037497568.db2.gz TWRYZSFGKHZRCO-IAGOWNOFSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303048 1037497572 /nfs/dbraw/zinc/49/75/72/1037497572.db2.gz TWRYZSFGKHZRCO-IAGOWNOFSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303048 1037497582 /nfs/dbraw/zinc/49/75/82/1037497582.db2.gz TWRYZSFGKHZRCO-IAGOWNOFSA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303048 1037497591 /nfs/dbraw/zinc/49/75/91/1037497591.db2.gz TWRYZSFGKHZRCO-IAGOWNOFSA-N 2 2 343.490 4.393 20 0 EIADLP CCn1c[nH+]cc1CNc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573606247 1037597291 /nfs/dbraw/zinc/59/72/91/1037597291.db2.gz LKRLRWJRHJUYFK-UHFFFAOYSA-N 2 2 344.528 4.093 20 0 EIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000570249146 1037756091 /nfs/dbraw/zinc/75/60/91/1037756091.db2.gz VDONASKKJDHFED-QFIPXVFZSA-N 2 2 333.479 4.351 20 0 EIADLP Cc1sc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C(C)C ZINC000422702700 1037801399 /nfs/dbraw/zinc/80/13/99/1037801399.db2.gz FWAYCBFKFXZDKP-IAGOWNOFSA-N 2 2 329.513 4.158 20 0 EIADLP c1c2ccccc2oc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422926714 1037871829 /nfs/dbraw/zinc/87/18/29/1037871829.db2.gz DPSXOZBRCFURAP-HJKBJPMPSA-N 2 2 332.447 4.395 20 0 EIADLP C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000422943636 1037873385 /nfs/dbraw/zinc/87/33/85/1037873385.db2.gz YOZYUPTZDLCJJG-SGTLLEGYSA-N 2 2 335.278 4.280 20 0 EIADLP CC[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCC[NH2+]1 ZINC000423097978 1037958271 /nfs/dbraw/zinc/95/82/71/1037958271.db2.gz BWFGVVFDSIZSRT-HOTGVXAUSA-N 2 2 335.904 4.084 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236610 1038053913 /nfs/dbraw/zinc/05/39/13/1038053913.db2.gz OPBSGKWAQWECDH-ABAIWWIYSA-N 2 2 335.904 4.175 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423365654 1038185624 /nfs/dbraw/zinc/18/56/24/1038185624.db2.gz ZWSBSWIQHQAJEL-VFNWGFHPSA-N 2 2 332.451 4.183 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423498539 1038254588 /nfs/dbraw/zinc/25/45/88/1038254588.db2.gz ICXZCHWNAVMPEN-KSSFIOAISA-N 2 2 344.524 4.330 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423504053 1038257170 /nfs/dbraw/zinc/25/71/70/1038257170.db2.gz NILZPLGSUOQOIL-XTXLOEGASA-N 2 2 330.516 4.109 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000423504481 1038258377 /nfs/dbraw/zinc/25/83/77/1038258377.db2.gz GPUJBKNZJHHKEV-PDIWNELESA-N 2 2 343.474 4.155 20 0 EIADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901479 1038299931 /nfs/dbraw/zinc/29/99/31/1038299931.db2.gz XYMRSZSGQOMOCY-AWEZNQCLSA-N 2 2 334.916 4.472 20 0 EIADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901479 1038299952 /nfs/dbraw/zinc/29/99/52/1038299952.db2.gz XYMRSZSGQOMOCY-AWEZNQCLSA-N 2 2 334.916 4.472 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)C2 ZINC000490158649 1038363510 /nfs/dbraw/zinc/36/35/10/1038363510.db2.gz SXVOGIISWTXUDO-FDDCHVKYSA-N 2 2 345.490 4.305 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173491041 1038375038 /nfs/dbraw/zinc/37/50/38/1038375038.db2.gz QUTBSYLNDYJBQC-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000173491041 1038375057 /nfs/dbraw/zinc/37/50/57/1038375057.db2.gz QUTBSYLNDYJBQC-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491041 1038375073 /nfs/dbraw/zinc/37/50/73/1038375073.db2.gz QUTBSYLNDYJBQC-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491041 1038375089 /nfs/dbraw/zinc/37/50/89/1038375089.db2.gz QUTBSYLNDYJBQC-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059260095 1038391336 /nfs/dbraw/zinc/39/13/36/1038391336.db2.gz RZRYBSBEMKJNFN-LJQANCHMSA-N 2 2 341.430 4.487 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000608069032 1038485512 /nfs/dbraw/zinc/48/55/12/1038485512.db2.gz TXFQJUKSVVZQFX-OAQYLSRUSA-N 2 2 342.446 4.042 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000608070904 1038489978 /nfs/dbraw/zinc/48/99/78/1038489978.db2.gz HSQUJLXRJGUYDZ-GOSISDBHSA-N 2 2 343.833 4.286 20 0 EIADLP Cc1cc(C)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608075711 1038492259 /nfs/dbraw/zinc/49/22/59/1038492259.db2.gz WQUBFJFRBXMRLX-OAQYLSRUSA-N 2 2 333.479 4.419 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000424164274 1038703907 /nfs/dbraw/zinc/70/39/07/1038703907.db2.gz ZEWDKIJEJOUYFW-QGZVFWFLSA-N 2 2 326.488 4.308 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000424164274 1038703920 /nfs/dbraw/zinc/70/39/20/1038703920.db2.gz ZEWDKIJEJOUYFW-QGZVFWFLSA-N 2 2 326.488 4.308 20 0 EIADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000480746896 1038786303 /nfs/dbraw/zinc/78/63/03/1038786303.db2.gz SGIFYYKZPCSIMI-HXUWFJFHSA-N 2 2 325.500 4.447 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000480764252 1038788621 /nfs/dbraw/zinc/78/86/21/1038788621.db2.gz IAOJWBHJNXDQIN-ZIAGYGMSSA-N 2 2 329.444 4.490 20 0 EIADLP CC(C)[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773028 1038808599 /nfs/dbraw/zinc/80/85/99/1038808599.db2.gz YHIWOJQMEXVRBW-VXKWHMMOSA-N 2 2 337.511 4.279 20 0 EIADLP CC(C)[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773028 1038808600 /nfs/dbraw/zinc/80/86/00/1038808600.db2.gz YHIWOJQMEXVRBW-VXKWHMMOSA-N 2 2 337.511 4.279 20 0 EIADLP Fc1ccccc1[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000539164069 1038864876 /nfs/dbraw/zinc/86/48/76/1038864876.db2.gz NJWORDYZEUYPMB-NRFANRHFSA-N 2 2 341.474 4.422 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000057681572 1038982120 /nfs/dbraw/zinc/98/21/20/1038982120.db2.gz QCHTVIYJGHDYBC-OAHLLOKOSA-N 2 2 334.410 4.015 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000057681572 1038982140 /nfs/dbraw/zinc/98/21/40/1038982140.db2.gz QCHTVIYJGHDYBC-OAHLLOKOSA-N 2 2 334.410 4.015 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000120495316 1039138037 /nfs/dbraw/zinc/13/80/37/1039138037.db2.gz JSBNCSBWPUKGIW-SFHVURJKSA-N 2 2 335.451 4.203 20 0 EIADLP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667130 1039275385 /nfs/dbraw/zinc/27/53/85/1039275385.db2.gz HMKOWEVXSGHIRL-HZPDHXFCSA-N 2 2 335.561 4.117 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415518 1039437399 /nfs/dbraw/zinc/43/73/99/1039437399.db2.gz CWESGZXCEOBIGX-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415518 1039437455 /nfs/dbraw/zinc/43/74/55/1039437455.db2.gz CWESGZXCEOBIGX-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP CC(C)Cc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000514081860 1039577051 /nfs/dbraw/zinc/57/70/51/1039577051.db2.gz DMOAFXNJWQETSF-QGZVFWFLSA-N 2 2 325.500 4.311 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C)ccc1OC ZINC000093396979 1039685890 /nfs/dbraw/zinc/68/58/90/1039685890.db2.gz SRKKMXJHTNXAIT-NRFANRHFSA-N 2 2 349.478 4.489 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563748 1039716336 /nfs/dbraw/zinc/71/63/36/1039716336.db2.gz QZVOWJKYKWGKDF-QGZVFWFLSA-N 2 2 333.545 4.251 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563748 1039716364 /nfs/dbraw/zinc/71/63/64/1039716364.db2.gz QZVOWJKYKWGKDF-QGZVFWFLSA-N 2 2 333.545 4.251 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683477 1039731539 /nfs/dbraw/zinc/73/15/39/1039731539.db2.gz UBRGSRBKAYTBNI-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683477 1039731570 /nfs/dbraw/zinc/73/15/70/1039731570.db2.gz UBRGSRBKAYTBNI-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087052 1039966256 /nfs/dbraw/zinc/96/62/56/1039966256.db2.gz LMGTZECDBPDIPU-CFLQYTFWSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087052 1039966310 /nfs/dbraw/zinc/96/63/10/1039966310.db2.gz LMGTZECDBPDIPU-CFLQYTFWSA-N 2 2 330.422 4.451 20 0 EIADLP Clc1sccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435061485 1040038938 /nfs/dbraw/zinc/03/89/38/1040038938.db2.gz ZVEYPMIWJALHQY-UHFFFAOYSA-N 2 2 335.904 4.314 20 0 EIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1OC ZINC000482131277 1040039880 /nfs/dbraw/zinc/03/98/80/1040039880.db2.gz XHRWKYSCFUQIPQ-DOTOQJQBSA-N 2 2 341.499 4.245 20 0 EIADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000551212036 1040064100 /nfs/dbraw/zinc/06/41/00/1040064100.db2.gz PZSACWVQCKSONO-CQSZACIVSA-N 2 2 349.931 4.283 20 0 EIADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000551212036 1040064121 /nfs/dbraw/zinc/06/41/21/1040064121.db2.gz PZSACWVQCKSONO-CQSZACIVSA-N 2 2 349.931 4.283 20 0 EIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000482237017 1040093411 /nfs/dbraw/zinc/09/34/11/1040093411.db2.gz JFSICOAONIAGDM-LJQANCHMSA-N 2 2 329.463 4.270 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)C[NH+]1CCCCC1 ZINC000510031653 1040125082 /nfs/dbraw/zinc/12/50/82/1040125082.db2.gz XXLCROJQYDEXNR-MRXNPFEDSA-N 2 2 345.512 4.037 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482460602 1040268028 /nfs/dbraw/zinc/26/80/28/1040268028.db2.gz YFBHRZURJWQRHA-AWEZNQCLSA-N 2 2 329.315 4.342 20 0 EIADLP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482460602 1040268041 /nfs/dbraw/zinc/26/80/41/1040268041.db2.gz YFBHRZURJWQRHA-AWEZNQCLSA-N 2 2 329.315 4.342 20 0 EIADLP Cc1ccc2oc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000553548190 1040293414 /nfs/dbraw/zinc/29/34/14/1040293414.db2.gz GJWSHVYGXJXNEX-UHFFFAOYSA-N 2 2 334.463 4.495 20 0 EIADLP CCC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000482513127 1040318669 /nfs/dbraw/zinc/31/86/69/1040318669.db2.gz RKYXSTPZSAPZSJ-YXUAKONQSA-N 2 2 329.532 4.098 20 0 EIADLP CCC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000482513127 1040318685 /nfs/dbraw/zinc/31/86/85/1040318685.db2.gz RKYXSTPZSAPZSJ-YXUAKONQSA-N 2 2 329.532 4.098 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)s1 ZINC000425370492 1040357003 /nfs/dbraw/zinc/35/70/03/1040357003.db2.gz JNAQPPJSXUFXDL-QGZVFWFLSA-N 2 2 329.513 4.178 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)s1 ZINC000425370492 1040357018 /nfs/dbraw/zinc/35/70/18/1040357018.db2.gz JNAQPPJSXUFXDL-QGZVFWFLSA-N 2 2 329.513 4.178 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000551531028 1040388363 /nfs/dbraw/zinc/38/83/63/1040388363.db2.gz ZZYYWHFBFYHQJB-ZLGUVYLKSA-N 2 2 347.462 4.163 20 0 EIADLP Clc1ccc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535577017 1040394891 /nfs/dbraw/zinc/39/48/91/1040394891.db2.gz XVKZKXZKYGLKGV-UHFFFAOYSA-N 2 2 329.875 4.244 20 0 EIADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)ccc1OC ZINC000479548792 1040452938 /nfs/dbraw/zinc/45/29/38/1040452938.db2.gz DHYNXGXSGHRSMR-HTWSVDAQSA-N 2 2 336.907 4.406 20 0 EIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551823004 1040616045 /nfs/dbraw/zinc/61/60/45/1040616045.db2.gz NWYQMIWHLVTYFH-UHFFFAOYSA-N 2 2 349.931 4.381 20 0 EIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551823004 1040616056 /nfs/dbraw/zinc/61/60/56/1040616056.db2.gz NWYQMIWHLVTYFH-UHFFFAOYSA-N 2 2 349.931 4.381 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483209517 1040769537 /nfs/dbraw/zinc/76/95/37/1040769537.db2.gz BVGDNQKOEJWQNO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483209517 1040769553 /nfs/dbraw/zinc/76/95/53/1040769553.db2.gz BVGDNQKOEJWQNO-LSDHHAIUSA-N 2 2 339.321 4.174 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000483255305 1040789907 /nfs/dbraw/zinc/78/99/07/1040789907.db2.gz KBBJMARAYMVUSW-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000483255305 1040789933 /nfs/dbraw/zinc/78/99/33/1040789933.db2.gz KBBJMARAYMVUSW-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255305 1040789951 /nfs/dbraw/zinc/78/99/51/1040789951.db2.gz KBBJMARAYMVUSW-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255305 1040789962 /nfs/dbraw/zinc/78/99/62/1040789962.db2.gz KBBJMARAYMVUSW-UONOGXRCSA-N 2 2 334.410 4.139 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(Cl)c1 ZINC000436045938 1040838051 /nfs/dbraw/zinc/83/80/51/1040838051.db2.gz AAZMLIUXAPEVHS-CABCVRRESA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(Cl)c1 ZINC000436045938 1040838057 /nfs/dbraw/zinc/83/80/57/1040838057.db2.gz AAZMLIUXAPEVHS-CABCVRRESA-N 2 2 349.931 4.278 20 0 EIADLP COc1ccc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000483514191 1040883710 /nfs/dbraw/zinc/88/37/10/1040883710.db2.gz RIVKBXRUXBERDS-KRWDZBQOSA-N 2 2 335.451 4.382 20 0 EIADLP COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000483514191 1040883718 /nfs/dbraw/zinc/88/37/18/1040883718.db2.gz RIVKBXRUXBERDS-KRWDZBQOSA-N 2 2 335.451 4.382 20 0 EIADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000480082867 1040938638 /nfs/dbraw/zinc/93/86/38/1040938638.db2.gz GTIQOVXBTMSKJN-SJLPKXTDSA-N 2 2 334.504 4.009 20 0 EIADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000480082867 1040938652 /nfs/dbraw/zinc/93/86/52/1040938652.db2.gz GTIQOVXBTMSKJN-SJLPKXTDSA-N 2 2 334.504 4.009 20 0 EIADLP COc1cccc2c(NC[C@@H](c3ccsc3)[NH+](C)C)cc[nH+]c12 ZINC000436200682 1040953145 /nfs/dbraw/zinc/95/31/45/1040953145.db2.gz WLXUUASVPLZVLD-INIZCTEOSA-N 2 2 327.453 4.020 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000436280904 1041027376 /nfs/dbraw/zinc/02/73/76/1041027376.db2.gz LWESHEBMGMRTJG-NZQKXSOJSA-N 2 2 345.490 4.432 20 0 EIADLP CSc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000436289065 1041053559 /nfs/dbraw/zinc/05/35/59/1041053559.db2.gz WRCAPZYSJWALOR-MRXNPFEDSA-N 2 2 337.492 4.488 20 0 EIADLP Cc1ccc2c(C)cc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)[nH+]c2c1 ZINC000460941992 1041063571 /nfs/dbraw/zinc/06/35/71/1041063571.db2.gz ZUUYNBAKBARIBT-KRWDZBQOSA-N 2 2 334.467 4.044 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899270 1041079736 /nfs/dbraw/zinc/07/97/36/1041079736.db2.gz XLEDDHJSCARDBR-GJZGRUSLSA-N 2 2 347.503 4.332 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899270 1041079750 /nfs/dbraw/zinc/07/97/50/1041079750.db2.gz XLEDDHJSCARDBR-GJZGRUSLSA-N 2 2 347.503 4.332 20 0 EIADLP COc1cc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000484160257 1041148105 /nfs/dbraw/zinc/14/81/05/1041148105.db2.gz LVZXZLMCPLGHOT-QGZVFWFLSA-N 2 2 335.451 4.083 20 0 EIADLP COc1ccc2cc([C@H](C)[NH2+]CCCNc3cccc[nH+]3)ccc2c1 ZINC000484314545 1041204876 /nfs/dbraw/zinc/20/48/76/1041204876.db2.gz WHHCJBMJMBZRSH-INIZCTEOSA-N 2 2 335.451 4.396 20 0 EIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523942 1041355401 /nfs/dbraw/zinc/35/54/01/1041355401.db2.gz FIAITALBFWXVCU-VQTJNVASSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1cc(C)cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000480553334 1041383172 /nfs/dbraw/zinc/38/31/72/1041383172.db2.gz QDHFWFKKWYKBJG-IBGZPJMESA-N 2 2 333.479 4.442 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480633760 1041447205 /nfs/dbraw/zinc/44/72/05/1041447205.db2.gz GOOAIYPEZADWNX-UHFFFAOYSA-N 2 2 334.410 4.187 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000540482433 1041483010 /nfs/dbraw/zinc/48/30/10/1041483010.db2.gz RCWQCCMTDJLSSP-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000540482433 1041483013 /nfs/dbraw/zinc/48/30/13/1041483013.db2.gz RCWQCCMTDJLSSP-KRWDZBQOSA-N 2 2 349.950 4.104 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463289063 1041488543 /nfs/dbraw/zinc/48/85/43/1041488543.db2.gz OLESPBRGKBSJKM-UHFFFAOYSA-N 2 2 346.877 4.276 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000484908981 1041515688 /nfs/dbraw/zinc/51/56/88/1041515688.db2.gz SCZGAYAXZZWWMF-RHSMWYFYSA-N 2 2 329.513 4.103 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000484908981 1041515695 /nfs/dbraw/zinc/51/56/95/1041515695.db2.gz SCZGAYAXZZWWMF-RHSMWYFYSA-N 2 2 329.513 4.103 20 0 EIADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516604176 1041661954 /nfs/dbraw/zinc/66/19/54/1041661954.db2.gz OQDMTICTGSIVHA-KRWDZBQOSA-N 2 2 337.442 4.181 20 0 EIADLP C[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000516992124 1041833790 /nfs/dbraw/zinc/83/37/90/1041833790.db2.gz AZMNFVZELGEUGU-UWJYYQICSA-N 2 2 331.463 4.312 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464090801 1041865799 /nfs/dbraw/zinc/86/57/99/1041865799.db2.gz OWSHGZBBDHJAGO-WOJBJXKFSA-N 2 2 344.543 4.048 20 0 EIADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000541912698 1042168474 /nfs/dbraw/zinc/16/84/74/1042168474.db2.gz HBSLCKBLINUHKF-IBGZPJMESA-N 2 2 333.426 4.027 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844565 1042194700 /nfs/dbraw/zinc/19/47/00/1042194700.db2.gz IGEOVIRZCLZCJW-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844565 1042194702 /nfs/dbraw/zinc/19/47/02/1042194702.db2.gz IGEOVIRZCLZCJW-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844565 1042194706 /nfs/dbraw/zinc/19/47/06/1042194706.db2.gz IGEOVIRZCLZCJW-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844565 1042194710 /nfs/dbraw/zinc/19/47/10/1042194710.db2.gz IGEOVIRZCLZCJW-FUHWJXTLSA-N 2 2 344.449 4.480 20 0 EIADLP COc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000491368723 1042427598 /nfs/dbraw/zinc/42/75/98/1042427598.db2.gz QOSILNFNUBMISP-HXUWFJFHSA-N 2 2 344.474 4.101 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC000491587415 1042480783 /nfs/dbraw/zinc/48/07/83/1042480783.db2.gz XUBZSOZXBPCKRP-ZDUSSCGKSA-N 2 2 342.396 4.208 20 0 EIADLP CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000439260425 1042563796 /nfs/dbraw/zinc/56/37/96/1042563796.db2.gz PJQNWXIQGPKMSA-QFIPXVFZSA-N 2 2 349.478 4.036 20 0 EIADLP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000439260425 1042563799 /nfs/dbraw/zinc/56/37/99/1042563799.db2.gz PJQNWXIQGPKMSA-QFIPXVFZSA-N 2 2 349.478 4.036 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000296229801 1042565982 /nfs/dbraw/zinc/56/59/82/1042565982.db2.gz AMWFGDMQMOTVLP-QGZVFWFLSA-N 2 2 339.483 4.397 20 0 EIADLP S=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000152079055 1042638112 /nfs/dbraw/zinc/63/81/12/1042638112.db2.gz LYEOENHEOAMQSL-UHFFFAOYSA-N 2 2 348.859 4.108 20 0 EIADLP CCSc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000492482095 1042667673 /nfs/dbraw/zinc/66/76/73/1042667673.db2.gz FZCOFTKQJPVAQJ-UHFFFAOYSA-N 2 2 329.494 4.336 20 0 EIADLP CCCCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506646105 1042729087 /nfs/dbraw/zinc/72/90/87/1042729087.db2.gz NMLKYBMAUFTIHJ-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP CCCCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506646105 1042729095 /nfs/dbraw/zinc/72/90/95/1042729095.db2.gz NMLKYBMAUFTIHJ-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000310364081 1042835040 /nfs/dbraw/zinc/83/50/40/1042835040.db2.gz LLDBQDNZTRHRSF-QZTJIDSGSA-N 2 2 335.451 4.201 20 0 EIADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000177487811 1042839125 /nfs/dbraw/zinc/83/91/25/1042839125.db2.gz ANKWZSVBZPPVNY-CQSZACIVSA-N 2 2 342.886 4.019 20 0 EIADLP FC(F)(F)C1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000178215979 1042861409 /nfs/dbraw/zinc/86/14/09/1042861409.db2.gz PQZZWBFJVDPVBT-UHFFFAOYSA-N 2 2 341.421 4.009 20 0 EIADLP COc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)cc1 ZINC000493276946 1042891353 /nfs/dbraw/zinc/89/13/53/1042891353.db2.gz NNQXEPHLBLUZMG-JOCHJYFZSA-N 2 2 347.462 4.271 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278730 1042891859 /nfs/dbraw/zinc/89/18/59/1042891859.db2.gz VKLLLNWGLQMDIF-SIXWZSSISA-N 2 2 347.503 4.406 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278730 1042891860 /nfs/dbraw/zinc/89/18/60/1042891860.db2.gz VKLLLNWGLQMDIF-SIXWZSSISA-N 2 2 347.503 4.406 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2c(F)ccc(C)c2F)[nH+]1 ZINC001168007531 1043018969 /nfs/dbraw/zinc/01/89/69/1043018969.db2.gz DIHKVRRAGRMGJI-OAHLLOKOSA-N 2 2 331.410 4.053 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c(F)ccc(C)c2F)[nH+]1 ZINC001168007531 1043018974 /nfs/dbraw/zinc/01/89/74/1043018974.db2.gz DIHKVRRAGRMGJI-OAHLLOKOSA-N 2 2 331.410 4.053 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000895115317 1043035967 /nfs/dbraw/zinc/03/59/67/1043035967.db2.gz OTOQQXSRWSVVSV-GUDVDZBRSA-N 2 2 343.515 4.040 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809880 1043042045 /nfs/dbraw/zinc/04/20/45/1043042045.db2.gz AMADFQBSMHULST-IAGOWNOFSA-N 2 2 328.456 4.377 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809880 1043042054 /nfs/dbraw/zinc/04/20/54/1043042054.db2.gz AMADFQBSMHULST-IAGOWNOFSA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809880 1043042059 /nfs/dbraw/zinc/04/20/59/1043042059.db2.gz AMADFQBSMHULST-IAGOWNOFSA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@H]1C ZINC000507809880 1043042065 /nfs/dbraw/zinc/04/20/65/1043042065.db2.gz AMADFQBSMHULST-IAGOWNOFSA-N 2 2 328.456 4.377 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000183416689 1043044856 /nfs/dbraw/zinc/04/48/56/1043044856.db2.gz QSWFTCDCUYVEHB-UHFFFAOYSA-N 2 2 338.495 4.325 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000765955660 1043085141 /nfs/dbraw/zinc/08/51/41/1043085141.db2.gz AURCJEFOSLJJBE-LLGFUMIMSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cc(Cl)ccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009151 1043090922 /nfs/dbraw/zinc/09/09/22/1043090922.db2.gz YRJRNFYDFVXZMX-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000536497006 1043123301 /nfs/dbraw/zinc/12/33/01/1043123301.db2.gz IVZYTSHTVMKSHD-SFHVURJKSA-N 2 2 329.875 4.083 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)CC1 ZINC000427695256 1043164804 /nfs/dbraw/zinc/16/48/04/1043164804.db2.gz LJKAMIWYDVRCGT-NRFANRHFSA-N 2 2 344.543 4.315 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427840567 1043221355 /nfs/dbraw/zinc/22/13/55/1043221355.db2.gz GTQBTCPDWSGDJR-NVXWUHKLSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427840567 1043221361 /nfs/dbraw/zinc/22/13/61/1043221361.db2.gz GTQBTCPDWSGDJR-NVXWUHKLSA-N 2 2 328.422 4.362 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000427844370 1043224298 /nfs/dbraw/zinc/22/42/98/1043224298.db2.gz CHIRQUGYECVTSL-RXVVDRJESA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000427844370 1043224304 /nfs/dbraw/zinc/22/43/04/1043224304.db2.gz CHIRQUGYECVTSL-RXVVDRJESA-N 2 2 340.515 4.169 20 0 EIADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427855584 1043228607 /nfs/dbraw/zinc/22/86/07/1043228607.db2.gz LGEKCCNKRLPWQA-MSOLQXFVSA-N 2 2 331.891 4.098 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1Cl ZINC000427840129 1043232744 /nfs/dbraw/zinc/23/27/44/1043232744.db2.gz FWYXGRHQMGTMCB-SUMWQHHRSA-N 2 2 336.266 4.246 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccccc2)cc1 ZINC000427861399 1043237903 /nfs/dbraw/zinc/23/79/03/1043237903.db2.gz SSRPSGKVXAPIDF-YLJYHZDGSA-N 2 2 347.462 4.128 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427866037 1043239544 /nfs/dbraw/zinc/23/95/44/1043239544.db2.gz JRWNERIKWIIESI-NVXWUHKLSA-N 2 2 347.890 4.237 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427882762 1043247214 /nfs/dbraw/zinc/24/72/14/1043247214.db2.gz BZAQNKCYIZCFFR-KOLCDFICSA-N 2 2 342.295 4.233 20 0 EIADLP C[NH+](C)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000508041481 1043250441 /nfs/dbraw/zinc/25/04/41/1043250441.db2.gz OTUNDCIRPZBLSU-UHFFFAOYSA-N 2 2 346.421 4.283 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427891966 1043252951 /nfs/dbraw/zinc/25/29/51/1043252951.db2.gz MFBJRFXQWQGDPU-APWZRJJASA-N 2 2 347.462 4.224 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186187942 1043254913 /nfs/dbraw/zinc/25/49/13/1043254913.db2.gz DSSNKPQTTZIBDU-RYRKJORJSA-N 2 2 344.524 4.460 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186187942 1043254925 /nfs/dbraw/zinc/25/49/25/1043254925.db2.gz DSSNKPQTTZIBDU-RYRKJORJSA-N 2 2 344.524 4.460 20 0 EIADLP CC(C)=CCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766189703 1043398408 /nfs/dbraw/zinc/39/84/08/1043398408.db2.gz HGZGEOSTWQHLAF-SFHVURJKSA-N 2 2 329.532 4.446 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000428234966 1043399937 /nfs/dbraw/zinc/39/99/37/1043399937.db2.gz FNDPSIZSMQRBJN-IBGZPJMESA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000428234966 1043399940 /nfs/dbraw/zinc/39/99/40/1043399940.db2.gz FNDPSIZSMQRBJN-IBGZPJMESA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428234966 1043399944 /nfs/dbraw/zinc/39/99/44/1043399944.db2.gz FNDPSIZSMQRBJN-IBGZPJMESA-N 2 2 341.499 4.060 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428234966 1043399947 /nfs/dbraw/zinc/39/99/47/1043399947.db2.gz FNDPSIZSMQRBJN-IBGZPJMESA-N 2 2 341.499 4.060 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)s1 ZINC000895152766 1043504215 /nfs/dbraw/zinc/50/42/15/1043504215.db2.gz VNGNGQUCFCORQR-HNNXBMFYSA-N 2 2 347.915 4.083 20 0 EIADLP Clc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)s1 ZINC000895152766 1043504227 /nfs/dbraw/zinc/50/42/27/1043504227.db2.gz VNGNGQUCFCORQR-HNNXBMFYSA-N 2 2 347.915 4.083 20 0 EIADLP Clc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000674322010 1043596311 /nfs/dbraw/zinc/59/63/11/1043596311.db2.gz GNFUCFLDGDSRSM-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000674322010 1043596333 /nfs/dbraw/zinc/59/63/33/1043596333.db2.gz GNFUCFLDGDSRSM-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC001168013736 1043647913 /nfs/dbraw/zinc/64/79/13/1043647913.db2.gz IYTDXOCYFHABTD-AXVVYFOYSA-N 2 2 341.474 4.313 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC001168013736 1043647926 /nfs/dbraw/zinc/64/79/26/1043647926.db2.gz IYTDXOCYFHABTD-AXVVYFOYSA-N 2 2 341.474 4.313 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)o1 ZINC000172036854 1043703673 /nfs/dbraw/zinc/70/36/73/1043703673.db2.gz ZKZUIJSTFBKHDG-AWEZNQCLSA-N 2 2 327.403 4.017 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442711993 1043814849 /nfs/dbraw/zinc/81/48/49/1043814849.db2.gz TZOXRPXOOZISIL-UKPHBRMFSA-N 2 2 337.389 4.216 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000282522566 1043861155 /nfs/dbraw/zinc/86/11/55/1043861155.db2.gz PRAWIGGERCUOQT-MRXNPFEDSA-N 2 2 349.931 4.187 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000282522566 1043861156 /nfs/dbraw/zinc/86/11/56/1043861156.db2.gz PRAWIGGERCUOQT-MRXNPFEDSA-N 2 2 349.931 4.187 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000442855450 1043876764 /nfs/dbraw/zinc/87/67/64/1043876764.db2.gz QAIOUDWWEDBPBA-OIISXLGYSA-N 2 2 349.400 4.143 20 0 EIADLP CC(C)n1ccc(C[C@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000442876414 1043878040 /nfs/dbraw/zinc/87/80/40/1043878040.db2.gz XOYSFNUQCKCXQP-IBGZPJMESA-N 2 2 346.563 4.031 20 0 EIADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207481 1044135502 /nfs/dbraw/zinc/13/55/02/1044135502.db2.gz CPKBTSFMRYJWFG-KBXCAEBGSA-N 2 2 327.859 4.156 20 0 EIADLP Clc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207481 1044135512 /nfs/dbraw/zinc/13/55/12/1044135512.db2.gz CPKBTSFMRYJWFG-KBXCAEBGSA-N 2 2 327.859 4.156 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920473 1044559504 /nfs/dbraw/zinc/55/95/04/1044559504.db2.gz RVKUANQJTKTTKF-JXFKEZNVSA-N 2 2 335.451 4.063 20 0 EIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918841 1044561248 /nfs/dbraw/zinc/56/12/48/1044561248.db2.gz GYQNUHZZDMJKCF-FXAWDEMLSA-N 2 2 349.478 4.372 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919792 1044561351 /nfs/dbraw/zinc/56/13/51/1044561351.db2.gz JEOKUTNAGNHKDN-RDJZCZTQSA-N 2 2 325.481 4.425 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000675921714 1044563053 /nfs/dbraw/zinc/56/30/53/1044563053.db2.gz MTQDVUIDJGHOPB-ROUUACIJSA-N 2 2 337.492 4.433 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000675921478 1044565054 /nfs/dbraw/zinc/56/50/54/1044565054.db2.gz LSVWLIJEFLAVRD-HRAATJIYSA-N 2 2 347.462 4.085 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000191486260 1044621352 /nfs/dbraw/zinc/62/13/52/1044621352.db2.gz KCLDJBRIMBTRON-UHFFFAOYSA-N 2 2 341.286 4.060 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000191486260 1044621369 /nfs/dbraw/zinc/62/13/69/1044621369.db2.gz KCLDJBRIMBTRON-UHFFFAOYSA-N 2 2 341.286 4.060 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC000191491909 1044624030 /nfs/dbraw/zinc/62/40/30/1044624030.db2.gz QKCCNPIQXJKQKK-UHFFFAOYSA-N 2 2 346.544 4.472 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC000191491909 1044624050 /nfs/dbraw/zinc/62/40/50/1044624050.db2.gz QKCCNPIQXJKQKK-UHFFFAOYSA-N 2 2 346.544 4.472 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)s1 ZINC000676489577 1044770260 /nfs/dbraw/zinc/77/02/60/1044770260.db2.gz KKQARGRQFISQQX-LLVKDONJSA-N 2 2 344.459 4.244 20 0 EIADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766213568 1044791080 /nfs/dbraw/zinc/79/10/80/1044791080.db2.gz GWMWMTSYZXYWMG-OXJNMPFZSA-N 2 2 329.532 4.136 20 0 EIADLP FC(F)(F)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000428872744 1044793671 /nfs/dbraw/zinc/79/36/71/1044793671.db2.gz PDPBZVHYVLMWHP-UHFFFAOYSA-N 2 2 337.370 4.242 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105213 1044848903 /nfs/dbraw/zinc/84/89/03/1044848903.db2.gz VTRBHASTIXXGRO-NVXWUHKLSA-N 2 2 336.439 4.016 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105213 1044848909 /nfs/dbraw/zinc/84/89/09/1044848909.db2.gz VTRBHASTIXXGRO-NVXWUHKLSA-N 2 2 336.439 4.016 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000508990318 1044879624 /nfs/dbraw/zinc/87/96/24/1044879624.db2.gz JHYZNPIETOEZQJ-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000508990318 1044879627 /nfs/dbraw/zinc/87/96/27/1044879627.db2.gz JHYZNPIETOEZQJ-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508990318 1044879631 /nfs/dbraw/zinc/87/96/31/1044879631.db2.gz JHYZNPIETOEZQJ-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508990318 1044879637 /nfs/dbraw/zinc/87/96/37/1044879637.db2.gz JHYZNPIETOEZQJ-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154888 1044926901 /nfs/dbraw/zinc/92/69/01/1044926901.db2.gz YMXVZAHVKPFQDS-AGOPTVSRSA-N 2 2 345.490 4.486 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000390577815 1044952119 /nfs/dbraw/zinc/95/21/19/1044952119.db2.gz DEQWIAPFUMJCPU-LEWJYISDSA-N 2 2 349.522 4.349 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000390577815 1044952133 /nfs/dbraw/zinc/95/21/33/1044952133.db2.gz DEQWIAPFUMJCPU-LEWJYISDSA-N 2 2 349.522 4.349 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccc(C)o1 ZINC000495404419 1045063218 /nfs/dbraw/zinc/06/32/18/1045063218.db2.gz YWBWERKARIHTAT-VDGAXYAQSA-N 2 2 348.531 4.298 20 0 EIADLP C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671739231 1045155701 /nfs/dbraw/zinc/15/57/01/1045155701.db2.gz SBEXWEMCTUGGEP-ZIAGYGMSSA-N 2 2 348.406 4.131 20 0 EIADLP CC[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062659 1045166157 /nfs/dbraw/zinc/16/61/57/1045166157.db2.gz AMEZSVLJGNUTQP-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP CC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062659 1045166167 /nfs/dbraw/zinc/16/61/67/1045166167.db2.gz AMEZSVLJGNUTQP-UHFFFAOYSA-N 2 2 329.488 4.056 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000551175235 1045212241 /nfs/dbraw/zinc/21/22/41/1045212241.db2.gz IVZANWZBRQSDOL-UXPWSPDFSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000551175235 1045212248 /nfs/dbraw/zinc/21/22/48/1045212248.db2.gz IVZANWZBRQSDOL-UXPWSPDFSA-N 2 2 340.442 4.074 20 0 EIADLP CC1(C)CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000236688054 1045363833 /nfs/dbraw/zinc/36/38/33/1045363833.db2.gz JLZJORLAZSZNKH-HXUWFJFHSA-N 2 2 335.495 4.453 20 0 EIADLP c1ccc(C[NH+](CCC[NH2+]Cc2cccnc2)Cc2ccccc2)cc1 ZINC000236717067 1045364781 /nfs/dbraw/zinc/36/47/81/1045364781.db2.gz DMLFJWGRXZMJDX-UHFFFAOYSA-N 2 2 345.490 4.264 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000637980032 1045399290 /nfs/dbraw/zinc/39/92/90/1045399290.db2.gz WLQIJSSKZYAYRI-DOTOQJQBSA-N 2 2 337.458 4.106 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000637980032 1045399296 /nfs/dbraw/zinc/39/92/96/1045399296.db2.gz WLQIJSSKZYAYRI-DOTOQJQBSA-N 2 2 337.458 4.106 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000637980032 1045399300 /nfs/dbraw/zinc/39/93/00/1045399300.db2.gz WLQIJSSKZYAYRI-DOTOQJQBSA-N 2 2 337.458 4.106 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000637980032 1045399303 /nfs/dbraw/zinc/39/93/03/1045399303.db2.gz WLQIJSSKZYAYRI-DOTOQJQBSA-N 2 2 337.458 4.106 20 0 EIADLP Clc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000393561253 1045479000 /nfs/dbraw/zinc/47/90/00/1045479000.db2.gz KUMWSGGJMWEELH-UHFFFAOYSA-N 2 2 334.916 4.198 20 0 EIADLP C[C@@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)(C)C ZINC000670267811 1045759234 /nfs/dbraw/zinc/75/92/34/1045759234.db2.gz UVQGTZSPBFRHPC-ROUUACIJSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000247980646 1045860746 /nfs/dbraw/zinc/86/07/46/1045860746.db2.gz MLWKDHTZGYQZDM-YHYVQYDKSA-N 2 2 335.495 4.033 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000247980646 1045860748 /nfs/dbraw/zinc/86/07/48/1045860748.db2.gz MLWKDHTZGYQZDM-YHYVQYDKSA-N 2 2 335.495 4.033 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](O)c1ccc(C)cc1 ZINC000792233807 1045880404 /nfs/dbraw/zinc/88/04/04/1045880404.db2.gz UWHAVNPWAGIFIT-JOCHJYFZSA-N 2 2 349.478 4.045 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](O)c1ccc(C)cc1 ZINC000792233807 1045880409 /nfs/dbraw/zinc/88/04/09/1045880409.db2.gz UWHAVNPWAGIFIT-JOCHJYFZSA-N 2 2 349.478 4.045 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000249069021 1045892425 /nfs/dbraw/zinc/89/24/25/1045892425.db2.gz JEZGFIGTDDIMRV-AHRSYUTCSA-N 2 2 343.540 4.485 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccsc1 ZINC000249069021 1045892434 /nfs/dbraw/zinc/89/24/34/1045892434.db2.gz JEZGFIGTDDIMRV-AHRSYUTCSA-N 2 2 343.540 4.485 20 0 EIADLP C[C@@H](CCC1CC1)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000769419448 1045955473 /nfs/dbraw/zinc/95/54/73/1045955473.db2.gz USRCMSBOYAELRP-KRWDZBQOSA-N 2 2 329.532 4.455 20 0 EIADLP C[C@H](Cc1ccccc1Cl)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001170263216 1045962603 /nfs/dbraw/zinc/96/26/03/1045962603.db2.gz JUWWKHUWCFIIDR-CQSZACIVSA-N 2 2 325.843 4.466 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469598 1045985338 /nfs/dbraw/zinc/98/53/38/1045985338.db2.gz AYYOBWTXISBHFA-QWHCGFSZSA-N 2 2 332.460 4.040 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469598 1045985303 /nfs/dbraw/zinc/98/53/03/1045985303.db2.gz AYYOBWTXISBHFA-QWHCGFSZSA-N 2 2 332.460 4.040 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469598 1045985317 /nfs/dbraw/zinc/98/53/17/1045985317.db2.gz AYYOBWTXISBHFA-QWHCGFSZSA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)C[C@@H]1C ZINC000769469598 1045985350 /nfs/dbraw/zinc/98/53/50/1045985350.db2.gz AYYOBWTXISBHFA-QWHCGFSZSA-N 2 2 332.460 4.040 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000769875272 1046102265 /nfs/dbraw/zinc/10/22/65/1046102265.db2.gz OSUGVTOBJGNTFE-RFUYNDQBSA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000769875272 1046102246 /nfs/dbraw/zinc/10/22/46/1046102246.db2.gz OSUGVTOBJGNTFE-RFUYNDQBSA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000769878838 1046105339 /nfs/dbraw/zinc/10/53/39/1046105339.db2.gz YPCJAWCUDQGALK-CVEARBPZSA-N 2 2 341.499 4.422 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649394 1046153020 /nfs/dbraw/zinc/15/30/20/1046153020.db2.gz WHLOMIRQZIBITL-WDEREUQCSA-N 2 2 331.262 4.267 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649394 1046153026 /nfs/dbraw/zinc/15/30/26/1046153026.db2.gz WHLOMIRQZIBITL-WDEREUQCSA-N 2 2 331.262 4.267 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000459419667 1046619906 /nfs/dbraw/zinc/61/99/06/1046619906.db2.gz GXZLMRUQPDQIBS-YLJYHZDGSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000459419667 1046619917 /nfs/dbraw/zinc/61/99/17/1046619917.db2.gz GXZLMRUQPDQIBS-YLJYHZDGSA-N 2 2 338.495 4.243 20 0 EIADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658655 1046621589 /nfs/dbraw/zinc/62/15/89/1046621589.db2.gz PMXMAAFICKTECU-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658655 1046621611 /nfs/dbraw/zinc/62/16/11/1046621611.db2.gz PMXMAAFICKTECU-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658655 1046621626 /nfs/dbraw/zinc/62/16/26/1046621626.db2.gz PMXMAAFICKTECU-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658655 1046621645 /nfs/dbraw/zinc/62/16/45/1046621645.db2.gz PMXMAAFICKTECU-HKUYNNGSSA-N 2 2 348.531 4.035 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661022 1046629217 /nfs/dbraw/zinc/62/92/17/1046629217.db2.gz VBTAQFGTOSWVRH-XJKSGUPXSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661022 1046629231 /nfs/dbraw/zinc/62/92/31/1046629231.db2.gz VBTAQFGTOSWVRH-XJKSGUPXSA-N 2 2 335.542 4.034 20 0 EIADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CC1(C)C ZINC000785497559 1046698670 /nfs/dbraw/zinc/69/86/70/1046698670.db2.gz SHSFEMITMMVZQS-OXJNMPFZSA-N 2 2 329.532 4.311 20 0 EIADLP c1sc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccccc1 ZINC000127764410 1046722705 /nfs/dbraw/zinc/72/27/05/1046722705.db2.gz LPNIJXOAUMPDEB-UHFFFAOYSA-N 2 2 326.509 4.475 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cn1 ZINC000379631644 1046733332 /nfs/dbraw/zinc/73/33/32/1046733332.db2.gz RQNAXJMCCLRDPN-UXPWSPDFSA-N 2 2 341.474 4.315 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cn1 ZINC000379631644 1046733345 /nfs/dbraw/zinc/73/33/45/1046733345.db2.gz RQNAXJMCCLRDPN-UXPWSPDFSA-N 2 2 341.474 4.315 20 0 EIADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536870180 1046833867 /nfs/dbraw/zinc/83/38/67/1046833867.db2.gz MYQKOVBOPHTZSQ-SJORKVTESA-N 2 2 335.451 4.163 20 0 EIADLP COCC[NH+]1CCC([NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497550313 1046858958 /nfs/dbraw/zinc/85/89/58/1046858958.db2.gz NLHMWCPHRHLYSL-FQEVSTJZSA-N 2 2 344.499 4.220 20 0 EIADLP CC1(C)[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000459710569 1046868363 /nfs/dbraw/zinc/86/83/63/1046868363.db2.gz LXGKHCXBRQSIMK-FPOVZHCZSA-N 2 2 335.495 4.080 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254958 1046958059 /nfs/dbraw/zinc/95/80/59/1046958059.db2.gz OKRBWPWBHXOVQK-WCQYABFASA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254958 1046958096 /nfs/dbraw/zinc/95/80/96/1046958096.db2.gz OKRBWPWBHXOVQK-WCQYABFASA-N 2 2 349.828 4.058 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254958 1046958077 /nfs/dbraw/zinc/95/80/77/1046958077.db2.gz OKRBWPWBHXOVQK-WCQYABFASA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254958 1046958133 /nfs/dbraw/zinc/95/81/33/1046958133.db2.gz OKRBWPWBHXOVQK-WCQYABFASA-N 2 2 349.828 4.058 20 0 EIADLP CC(C)CCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170079104 1047062644 /nfs/dbraw/zinc/06/26/44/1047062644.db2.gz XOHRHSPDQWYVGX-QGZVFWFLSA-N 2 2 334.552 4.099 20 0 EIADLP CC(C)CCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001170079104 1047062657 /nfs/dbraw/zinc/06/26/57/1047062657.db2.gz XOHRHSPDQWYVGX-QGZVFWFLSA-N 2 2 334.552 4.099 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170079912 1047071151 /nfs/dbraw/zinc/07/11/51/1047071151.db2.gz GKHURAPKWXYVMP-TYPHKJRUSA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170079912 1047071184 /nfs/dbraw/zinc/07/11/84/1047071184.db2.gz GKHURAPKWXYVMP-TYPHKJRUSA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001170079912 1047071169 /nfs/dbraw/zinc/07/11/69/1047071169.db2.gz GKHURAPKWXYVMP-TYPHKJRUSA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001170079912 1047071204 /nfs/dbraw/zinc/07/12/04/1047071204.db2.gz GKHURAPKWXYVMP-TYPHKJRUSA-N 2 2 329.532 4.050 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C(C)(C)C)CC2)cc1 ZINC000806142780 1047168473 /nfs/dbraw/zinc/16/84/73/1047168473.db2.gz QQUBCJMNUUEAEG-WOJBJXKFSA-N 2 2 329.532 4.136 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000537455161 1047244105 /nfs/dbraw/zinc/24/41/05/1047244105.db2.gz CYBYAHCMJJPDKA-HKUYNNGSSA-N 2 2 338.499 4.012 20 0 EIADLP CN(c1ccc([NH2+]C[C@@H]2CCc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC000790050286 1047510290 /nfs/dbraw/zinc/51/02/90/1047510290.db2.gz XQGCBACCXFQITF-IBGZPJMESA-N 2 2 349.522 4.359 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556215438 1047566499 /nfs/dbraw/zinc/56/64/99/1047566499.db2.gz ZVMGHTBFAQSIIJ-YSZBQJHXSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000556215438 1047566517 /nfs/dbraw/zinc/56/65/17/1047566517.db2.gz ZVMGHTBFAQSIIJ-YSZBQJHXSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn2ccccc2n1 ZINC000556236312 1047602391 /nfs/dbraw/zinc/60/23/91/1047602391.db2.gz QDCHYVBMDQTASQ-MSOLQXFVSA-N 2 2 348.494 4.211 20 0 EIADLP C[N@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608679 1047758670 /nfs/dbraw/zinc/75/86/70/1047758670.db2.gz LGJMVKAZCANWIW-RBBKRZOGSA-N 3 2 343.559 4.066 20 0 EIADLP C[N@@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608679 1047758678 /nfs/dbraw/zinc/75/86/78/1047758678.db2.gz LGJMVKAZCANWIW-RBBKRZOGSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608679 1047758685 /nfs/dbraw/zinc/75/86/85/1047758685.db2.gz LGJMVKAZCANWIW-RBBKRZOGSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608679 1047758697 /nfs/dbraw/zinc/75/86/97/1047758697.db2.gz LGJMVKAZCANWIW-RBBKRZOGSA-N 3 2 343.559 4.066 20 0 EIADLP CCOc1c(F)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001143746719 1048181367 /nfs/dbraw/zinc/18/13/67/1048181367.db2.gz UDWVFDGLXWBJQO-UHFFFAOYSA-N 2 2 342.886 4.182 20 0 EIADLP CCOc1c(F)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001143746719 1048181376 /nfs/dbraw/zinc/18/13/76/1048181376.db2.gz UDWVFDGLXWBJQO-UHFFFAOYSA-N 2 2 342.886 4.182 20 0 EIADLP Cc1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2)cc1 ZINC001144090932 1048413644 /nfs/dbraw/zinc/41/36/44/1048413644.db2.gz RXPSOFDLOGILNH-DENIHFKCSA-N 2 2 336.479 4.171 20 0 EIADLP Cc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2)cc1 ZINC001144090932 1048413655 /nfs/dbraw/zinc/41/36/55/1048413655.db2.gz RXPSOFDLOGILNH-DENIHFKCSA-N 2 2 336.479 4.171 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001170601265 1048726382 /nfs/dbraw/zinc/72/63/82/1048726382.db2.gz YHOKHJKZCUYDEK-SBHAEUEKSA-N 2 2 329.532 4.194 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846836415 1048919086 /nfs/dbraw/zinc/91/90/86/1048919086.db2.gz FCPCLZMYXROSGZ-UHFFFAOYSA-N 2 2 349.265 4.260 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846836415 1048919107 /nfs/dbraw/zinc/91/91/07/1048919107.db2.gz FCPCLZMYXROSGZ-UHFFFAOYSA-N 2 2 349.265 4.260 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000811485849 1049083239 /nfs/dbraw/zinc/08/32/39/1049083239.db2.gz DLGGTWAOMWCNOE-UHFFFAOYSA-N 2 2 349.522 4.044 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948042 1049514858 /nfs/dbraw/zinc/51/48/58/1049514858.db2.gz ZWBPCKOXDXKJEE-SJORKVTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948042 1049514873 /nfs/dbraw/zinc/51/48/73/1049514873.db2.gz ZWBPCKOXDXKJEE-SJORKVTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1cccc(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812837645 1049604655 /nfs/dbraw/zinc/60/46/55/1049604655.db2.gz HXWZQVFTVUYOKB-UHFFFAOYSA-N 2 2 337.511 4.128 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095202 1049625464 /nfs/dbraw/zinc/62/54/64/1049625464.db2.gz HPJZZGPRFRHACH-KUHUBIRLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095202 1049625470 /nfs/dbraw/zinc/62/54/70/1049625470.db2.gz HPJZZGPRFRHACH-KUHUBIRLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095202 1049625476 /nfs/dbraw/zinc/62/54/76/1049625476.db2.gz HPJZZGPRFRHACH-KUHUBIRLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095202 1049625483 /nfs/dbraw/zinc/62/54/83/1049625483.db2.gz HPJZZGPRFRHACH-KUHUBIRLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095205 1049625516 /nfs/dbraw/zinc/62/55/16/1049625516.db2.gz HPJZZGPRFRHACH-AUUYWEPGSA-N 2 2 347.890 4.157 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095205 1049625525 /nfs/dbraw/zinc/62/55/25/1049625525.db2.gz HPJZZGPRFRHACH-AUUYWEPGSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095205 1049625533 /nfs/dbraw/zinc/62/55/33/1049625533.db2.gz HPJZZGPRFRHACH-AUUYWEPGSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000081095205 1049625543 /nfs/dbraw/zinc/62/55/43/1049625543.db2.gz HPJZZGPRFRHACH-AUUYWEPGSA-N 2 2 347.890 4.157 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)C2 ZINC001171579162 1049760643 /nfs/dbraw/zinc/76/06/43/1049760643.db2.gz OGHLYPFCJKVYPB-OAQYLSRUSA-N 2 2 326.528 4.191 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)C2 ZINC001171579162 1049760651 /nfs/dbraw/zinc/76/06/51/1049760651.db2.gz OGHLYPFCJKVYPB-OAQYLSRUSA-N 2 2 326.528 4.191 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccsc2Br)CC1(C)C ZINC001171623116 1049768614 /nfs/dbraw/zinc/76/86/14/1049768614.db2.gz KZNUFWVHWDCZHX-UHFFFAOYSA-N 2 2 345.350 4.252 20 0 EIADLP Cc1ccc(CC[C@@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001171681338 1049777111 /nfs/dbraw/zinc/77/71/11/1049777111.db2.gz FNPFMQKTVCCXHB-LJQANCHMSA-N 2 2 337.511 4.278 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cc(Cl)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171962978 1049825608 /nfs/dbraw/zinc/82/56/08/1049825608.db2.gz FYGONSOPACFLJG-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cc(Cl)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001171962978 1049825609 /nfs/dbraw/zinc/82/56/09/1049825609.db2.gz FYGONSOPACFLJG-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cnc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171962329 1049825846 /nfs/dbraw/zinc/82/58/46/1049825846.db2.gz CJGDFVXDLDPALL-OAHLLOKOSA-N 2 2 349.931 4.329 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cnc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC001171962329 1049825847 /nfs/dbraw/zinc/82/58/47/1049825847.db2.gz CJGDFVXDLDPALL-OAHLLOKOSA-N 2 2 349.931 4.329 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171977068 1049836727 /nfs/dbraw/zinc/83/67/27/1049836727.db2.gz WTKJDFALBKPKRZ-GOSISDBHSA-N 2 2 342.458 4.064 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171977068 1049836729 /nfs/dbraw/zinc/83/67/29/1049836729.db2.gz WTKJDFALBKPKRZ-GOSISDBHSA-N 2 2 342.458 4.064 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976021 1049837546 /nfs/dbraw/zinc/83/75/46/1049837546.db2.gz HQLDSDPMRPKLFW-BJLQDIEVSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976021 1049837550 /nfs/dbraw/zinc/83/75/50/1049837550.db2.gz HQLDSDPMRPKLFW-BJLQDIEVSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976021 1049837554 /nfs/dbraw/zinc/83/75/54/1049837554.db2.gz HQLDSDPMRPKLFW-BJLQDIEVSA-N 2 2 336.470 4.202 20 0 EIADLP CC1(C)C[C@@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976021 1049837557 /nfs/dbraw/zinc/83/75/57/1049837557.db2.gz HQLDSDPMRPKLFW-BJLQDIEVSA-N 2 2 336.470 4.202 20 0 EIADLP C[C@]1(F)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069951 1049852973 /nfs/dbraw/zinc/85/29/73/1049852973.db2.gz WEWPZKPHEHJIPN-SSTJLMRISA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069951 1049852976 /nfs/dbraw/zinc/85/29/76/1049852976.db2.gz WEWPZKPHEHJIPN-SSTJLMRISA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069951 1049852979 /nfs/dbraw/zinc/85/29/79/1049852979.db2.gz WEWPZKPHEHJIPN-SSTJLMRISA-N 2 2 348.481 4.344 20 0 EIADLP C[C@]1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069951 1049852984 /nfs/dbraw/zinc/85/29/84/1049852984.db2.gz WEWPZKPHEHJIPN-SSTJLMRISA-N 2 2 348.481 4.344 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172208994 1049865046 /nfs/dbraw/zinc/86/50/46/1049865046.db2.gz VRNLRYRKVZAHPG-LJQANCHMSA-N 2 2 330.541 4.042 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172208994 1049865047 /nfs/dbraw/zinc/86/50/47/1049865047.db2.gz VRNLRYRKVZAHPG-LJQANCHMSA-N 2 2 330.541 4.042 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000823684171 1049868221 /nfs/dbraw/zinc/86/82/21/1049868221.db2.gz SKKSHMDMLSZHPP-NKELODKYSA-N 2 2 333.520 4.158 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172572802 1049940559 /nfs/dbraw/zinc/94/05/59/1049940559.db2.gz LQECDPNUQOEXRP-SJKOYZFVSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172572802 1049940561 /nfs/dbraw/zinc/94/05/61/1049940561.db2.gz LQECDPNUQOEXRP-SJKOYZFVSA-N 2 2 330.850 4.013 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000247060261 1050011936 /nfs/dbraw/zinc/01/19/36/1050011936.db2.gz MNUWJCRYMRCFJY-UYAOXDASSA-N 2 2 329.532 4.098 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000247060261 1050011940 /nfs/dbraw/zinc/01/19/40/1050011940.db2.gz MNUWJCRYMRCFJY-UYAOXDASSA-N 2 2 329.532 4.098 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247161697 1050015729 /nfs/dbraw/zinc/01/57/29/1050015729.db2.gz XUPHMEKJOBVXRJ-UCNVEGJOSA-N 2 2 338.495 4.247 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247161697 1050015733 /nfs/dbraw/zinc/01/57/33/1050015733.db2.gz XUPHMEKJOBVXRJ-UCNVEGJOSA-N 2 2 338.495 4.247 20 0 EIADLP CC(C)[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172859336 1050196246 /nfs/dbraw/zinc/19/62/46/1050196246.db2.gz ACKZVPFMJRSHTN-CQSZACIVSA-N 2 2 326.887 4.215 20 0 EIADLP CC(C)[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172859336 1050196249 /nfs/dbraw/zinc/19/62/49/1050196249.db2.gz ACKZVPFMJRSHTN-CQSZACIVSA-N 2 2 326.887 4.215 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172863285 1050202108 /nfs/dbraw/zinc/20/21/08/1050202108.db2.gz HZPNMGBLFKVUMG-HNNXBMFYSA-N 2 2 338.898 4.360 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172874134 1050214449 /nfs/dbraw/zinc/21/44/49/1050214449.db2.gz SDRGFTFOIALCOM-CYBMUJFWSA-N 2 2 331.872 4.258 20 0 EIADLP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177463496 1050215438 /nfs/dbraw/zinc/21/54/38/1050215438.db2.gz BBCQRMDFWIPJMU-MRXNPFEDSA-N 2 2 341.480 4.108 20 0 EIADLP Cc1cc(Br)cc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000774981617 1050249586 /nfs/dbraw/zinc/24/95/86/1050249586.db2.gz HJPKJYXHZACFQR-UHFFFAOYSA-N 2 2 348.288 4.134 20 0 EIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001173216950 1050350677 /nfs/dbraw/zinc/35/06/77/1050350677.db2.gz ZKNKQPCFIOTOIW-GOSISDBHSA-N 2 2 333.479 4.163 20 0 EIADLP CC1(C)CC([NH2+]Cc2ncc(-c3ccccc3)s2)CC(C)(C)[NH2+]1 ZINC000092365097 1050392636 /nfs/dbraw/zinc/39/26/36/1050392636.db2.gz XHAZNDXRPUEKGN-UHFFFAOYSA-N 2 2 329.513 4.209 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000093645093 1050646394 /nfs/dbraw/zinc/64/63/94/1050646394.db2.gz OCBUQFCSZZFTCF-NVXWUHKLSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000093645093 1050646400 /nfs/dbraw/zinc/64/64/00/1050646400.db2.gz OCBUQFCSZZFTCF-NVXWUHKLSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)cc1 ZINC000093645093 1050646409 /nfs/dbraw/zinc/64/64/09/1050646409.db2.gz OCBUQFCSZZFTCF-NVXWUHKLSA-N 2 2 329.513 4.033 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)cc1 ZINC000093645093 1050646415 /nfs/dbraw/zinc/64/64/15/1050646415.db2.gz OCBUQFCSZZFTCF-NVXWUHKLSA-N 2 2 329.513 4.033 20 0 EIADLP CC1(C)C[C@@]1(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001179222810 1050651681 /nfs/dbraw/zinc/65/16/81/1050651681.db2.gz RYIGGGIBOJROGQ-HXUWFJFHSA-N 2 2 337.492 4.391 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC001179232852 1050655368 /nfs/dbraw/zinc/65/53/68/1050655368.db2.gz VZTABKZKBSERLN-NRFANRHFSA-N 2 2 342.446 4.042 20 0 EIADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@@H]1CC=CCC1 ZINC001179497779 1050711538 /nfs/dbraw/zinc/71/15/38/1050711538.db2.gz OLDYTBKQHMEWAG-QGZVFWFLSA-N 2 2 326.488 4.146 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(COc4ccccc4)c3)C2)[nH]1 ZINC001179849726 1050797110 /nfs/dbraw/zinc/79/71/10/1050797110.db2.gz HSBJNBVYGOMORG-HXUWFJFHSA-N 2 2 347.462 4.368 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(COc4ccccc4)c3)C2)[nH]1 ZINC001179849726 1050797131 /nfs/dbraw/zinc/79/71/31/1050797131.db2.gz HSBJNBVYGOMORG-HXUWFJFHSA-N 2 2 347.462 4.368 20 0 EIADLP CC(C)c1[nH+]ccn1Cc1cccc(Nc2ccc3[nH+]ccn3c2)c1 ZINC001174278851 1050878884 /nfs/dbraw/zinc/87/88/84/1050878884.db2.gz LCQJMUBXHCCBNG-UHFFFAOYSA-N 2 2 331.423 4.446 20 0 EIADLP c1cn(-c2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001174397245 1050915767 /nfs/dbraw/zinc/91/57/67/1050915767.db2.gz PRUSNLGCPSNXOF-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001174397245 1050915779 /nfs/dbraw/zinc/91/57/79/1050915779.db2.gz PRUSNLGCPSNXOF-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1ccc(-c2cc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]2)cc1 ZINC001174444120 1050975495 /nfs/dbraw/zinc/97/54/95/1050975495.db2.gz AGIJXTRGCWOWSL-UHFFFAOYSA-N 2 2 345.446 4.324 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153745319 1051221823 /nfs/dbraw/zinc/22/18/23/1051221823.db2.gz KXFVSXHUMYSUHK-OWCLPIDISA-N 2 2 343.540 4.395 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153745319 1051221838 /nfs/dbraw/zinc/22/18/38/1051221838.db2.gz KXFVSXHUMYSUHK-OWCLPIDISA-N 2 2 343.540 4.395 20 0 EIADLP CO[C@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001181534593 1051249676 /nfs/dbraw/zinc/24/96/76/1051249676.db2.gz NHUXAKANGOCYSM-JOCHJYFZSA-N 2 2 344.543 4.178 20 0 EIADLP CO[C@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001181534593 1051249682 /nfs/dbraw/zinc/24/96/82/1051249682.db2.gz NHUXAKANGOCYSM-JOCHJYFZSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001181807293 1051312681 /nfs/dbraw/zinc/31/26/81/1051312681.db2.gz CQFONIZLRCUYRL-MRXNPFEDSA-N 2 2 340.433 4.191 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1OC(F)F ZINC000268771688 1051390817 /nfs/dbraw/zinc/39/08/17/1051390817.db2.gz SURKVJIULGFINZ-AWEZNQCLSA-N 2 2 347.409 4.003 20 0 EIADLP CC[N@H+](CCCSCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234831 1051406791 /nfs/dbraw/zinc/40/67/91/1051406791.db2.gz XEXWOYUWZSKBIP-UHFFFAOYSA-N 2 2 349.588 4.399 20 0 EIADLP CC[N@@H+](CCCSCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234831 1051406803 /nfs/dbraw/zinc/40/68/03/1051406803.db2.gz XEXWOYUWZSKBIP-UHFFFAOYSA-N 2 2 349.588 4.399 20 0 EIADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC001191358087 1051428752 /nfs/dbraw/zinc/42/87/52/1051428752.db2.gz CNZWQRXPEXWXAE-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC001191358087 1051428761 /nfs/dbraw/zinc/42/87/61/1051428761.db2.gz CNZWQRXPEXWXAE-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC001191358087 1051428772 /nfs/dbraw/zinc/42/87/72/1051428772.db2.gz CNZWQRXPEXWXAE-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP Fc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001191358087 1051428779 /nfs/dbraw/zinc/42/87/79/1051428779.db2.gz CNZWQRXPEXWXAE-QFIPXVFZSA-N 2 2 338.470 4.314 20 0 EIADLP CC(C)CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495026 1051466955 /nfs/dbraw/zinc/46/69/55/1051466955.db2.gz FPDGBDFEECPWOZ-QFIPXVFZSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495026 1051466963 /nfs/dbraw/zinc/46/69/63/1051466963.db2.gz FPDGBDFEECPWOZ-QFIPXVFZSA-N 2 2 344.543 4.036 20 0 EIADLP c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1CC[NH+]1CCCC1 ZINC001175352459 1051544065 /nfs/dbraw/zinc/54/40/65/1051544065.db2.gz PLKXXXLSMOJSAN-UHFFFAOYSA-N 2 2 336.483 4.064 20 0 EIADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2nsc3ccccc32)CC1 ZINC001175361968 1051550862 /nfs/dbraw/zinc/55/08/62/1051550862.db2.gz OIXZTUGZWXKOCF-QGZVFWFLSA-N 2 2 343.540 4.383 20 0 EIADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2nsc3ccccc32)CC1 ZINC001175361968 1051550879 /nfs/dbraw/zinc/55/08/79/1051550879.db2.gz OIXZTUGZWXKOCF-QGZVFWFLSA-N 2 2 343.540 4.383 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(C)(C)C)cc1 ZINC000156775555 1051561339 /nfs/dbraw/zinc/56/13/39/1051561339.db2.gz BUZLOOKCJJSRPY-INIZCTEOSA-N 2 2 341.499 4.290 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cn1 ZINC000775495827 1051602523 /nfs/dbraw/zinc/60/25/23/1051602523.db2.gz COTXJUWQVPKPHA-HNNXBMFYSA-N 2 2 335.923 4.430 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCc1cccc(F)c1 ZINC001192271300 1051678301 /nfs/dbraw/zinc/67/83/01/1051678301.db2.gz FEAFZKCPXNRLAA-UHFFFAOYSA-N 2 2 328.475 4.259 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCc1cccc(F)c1 ZINC001192271300 1051678306 /nfs/dbraw/zinc/67/83/06/1051678306.db2.gz FEAFZKCPXNRLAA-UHFFFAOYSA-N 2 2 328.475 4.259 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182843726 1051714524 /nfs/dbraw/zinc/71/45/24/1051714524.db2.gz GHTQTJQVNSLYHN-CZUORRHYSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182843726 1051714542 /nfs/dbraw/zinc/71/45/42/1051714542.db2.gz GHTQTJQVNSLYHN-CZUORRHYSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC001182845777 1051715747 /nfs/dbraw/zinc/71/57/47/1051715747.db2.gz WVHHDKHHISBSTN-IERDGZPVSA-N 2 2 327.516 4.415 20 0 EIADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001175670124 1051724227 /nfs/dbraw/zinc/72/42/27/1051724227.db2.gz ZKDZDFSCOWWZIV-GOSISDBHSA-N 2 2 341.842 4.076 20 0 EIADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)o1 ZINC001203294152 1051746305 /nfs/dbraw/zinc/74/63/05/1051746305.db2.gz UGCRBCDTJDMTOJ-UHFFFAOYSA-N 2 2 341.842 4.112 20 0 EIADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC001183196989 1051804849 /nfs/dbraw/zinc/80/48/49/1051804849.db2.gz MFQRKYFUSMKGQC-UHFFFAOYSA-N 2 2 328.422 4.098 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000159142012 1051817290 /nfs/dbraw/zinc/81/72/90/1051817290.db2.gz KGGACZJZJBABGX-CYBMUJFWSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC001183498128 1051855180 /nfs/dbraw/zinc/85/51/80/1051855180.db2.gz CQJKSHXUNWEBQV-KANFNMMFSA-N 2 2 337.492 4.468 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459734 1051927029 /nfs/dbraw/zinc/92/70/29/1051927029.db2.gz HKBJJGKSOAJSIZ-BHIFYINESA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459734 1051927043 /nfs/dbraw/zinc/92/70/43/1051927043.db2.gz HKBJJGKSOAJSIZ-BHIFYINESA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001193459734 1051927052 /nfs/dbraw/zinc/92/70/52/1051927052.db2.gz HKBJJGKSOAJSIZ-BHIFYINESA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001193459734 1051927062 /nfs/dbraw/zinc/92/70/62/1051927062.db2.gz HKBJJGKSOAJSIZ-BHIFYINESA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCCCC1 ZINC000165959237 1052081184 /nfs/dbraw/zinc/08/11/84/1052081184.db2.gz LGSRSOMKSOZRIB-AZUAARDMSA-N 2 2 330.516 4.008 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001176991937 1052213249 /nfs/dbraw/zinc/21/32/49/1052213249.db2.gz VVSPWTNNEKFJRE-DLBZAZTESA-N 2 2 333.520 4.165 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001176991937 1052213255 /nfs/dbraw/zinc/21/32/55/1052213255.db2.gz VVSPWTNNEKFJRE-DLBZAZTESA-N 2 2 333.520 4.165 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342025 1052625700 /nfs/dbraw/zinc/62/57/00/1052625700.db2.gz BHEAZOVKVWBUBN-AEFFLSMTSA-N 2 2 332.488 4.439 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342025 1052625701 /nfs/dbraw/zinc/62/57/01/1052625701.db2.gz BHEAZOVKVWBUBN-AEFFLSMTSA-N 2 2 332.488 4.439 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932929 1052694393 /nfs/dbraw/zinc/69/43/93/1052694393.db2.gz FYPCCYAEKTXVSG-KSFYIVLOSA-N 2 2 349.453 4.484 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000180423936 1052799934 /nfs/dbraw/zinc/79/99/34/1052799934.db2.gz FUXRTBZFAITBMS-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000180423936 1052799936 /nfs/dbraw/zinc/79/99/36/1052799936.db2.gz FUXRTBZFAITBMS-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423936 1052799939 /nfs/dbraw/zinc/79/99/39/1052799939.db2.gz FUXRTBZFAITBMS-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423936 1052799941 /nfs/dbraw/zinc/79/99/41/1052799941.db2.gz FUXRTBZFAITBMS-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4scnc43)C2)c1 ZINC000623880204 1052829429 /nfs/dbraw/zinc/82/94/29/1052829429.db2.gz BHXUTHCZKPWAQS-GDBMZVCRSA-N 2 2 347.553 4.084 20 0 EIADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCc4scnc43)C2)c1 ZINC000623880204 1052829433 /nfs/dbraw/zinc/82/94/33/1052829433.db2.gz BHXUTHCZKPWAQS-GDBMZVCRSA-N 2 2 347.553 4.084 20 0 EIADLP Fc1ccc(S[C@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000623870314 1052831026 /nfs/dbraw/zinc/83/10/26/1052831026.db2.gz WFGZPUWUYFYCJV-OALUTQOASA-N 2 2 347.503 4.496 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000623905571 1052835042 /nfs/dbraw/zinc/83/50/42/1052835042.db2.gz DEJMGONAKKFKRD-JHDROBOHSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000623905571 1052835044 /nfs/dbraw/zinc/83/50/44/1052835044.db2.gz DEJMGONAKKFKRD-JHDROBOHSA-N 2 2 343.540 4.259 20 0 EIADLP CC[N@@H+](c1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1)C(C)C ZINC000850044347 1053062625 /nfs/dbraw/zinc/06/26/25/1053062625.db2.gz JZRLLDUACBGGLL-UHFFFAOYSA-N 2 2 335.455 4.114 20 0 EIADLP CC[N@H+](c1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1)C(C)C ZINC000850044347 1053062635 /nfs/dbraw/zinc/06/26/35/1053062635.db2.gz JZRLLDUACBGGLL-UHFFFAOYSA-N 2 2 335.455 4.114 20 0 EIADLP CC1CC[NH+](c2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)CC1 ZINC000850201652 1053084771 /nfs/dbraw/zinc/08/47/71/1053084771.db2.gz NWMKMUJODJHXQN-UHFFFAOYSA-N 2 2 347.466 4.116 20 0 EIADLP CC(C)CC1(C)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001194864223 1053128958 /nfs/dbraw/zinc/12/89/58/1053128958.db2.gz LAPHWNCXQWXXSF-UHFFFAOYSA-N 2 2 344.543 4.167 20 0 EIADLP Clc1ccc2c(c1Cl)OCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000764741381 1053284579 /nfs/dbraw/zinc/28/45/79/1053284579.db2.gz CLKJVNHQFNGAQM-HNNXBMFYSA-N 2 2 341.282 4.033 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000383655537 1053370382 /nfs/dbraw/zinc/37/03/82/1053370382.db2.gz FIYVBAXBMZUHLS-APWZRJJASA-N 2 2 343.540 4.404 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000383655537 1053370401 /nfs/dbraw/zinc/37/04/01/1053370401.db2.gz FIYVBAXBMZUHLS-APWZRJJASA-N 2 2 343.540 4.404 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000383655568 1053371121 /nfs/dbraw/zinc/37/11/21/1053371121.db2.gz FIYVBAXBMZUHLS-VQIMIIECSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000383655568 1053371138 /nfs/dbraw/zinc/37/11/38/1053371138.db2.gz FIYVBAXBMZUHLS-VQIMIIECSA-N 2 2 343.540 4.404 20 0 EIADLP CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000794831228 1053443583 /nfs/dbraw/zinc/44/35/83/1053443583.db2.gz PAYMGHGLNNYFBM-BULFRSBZSA-N 2 2 349.478 4.425 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000765251314 1053475937 /nfs/dbraw/zinc/47/59/37/1053475937.db2.gz ONZUNNOSGLMTLX-MJGOQNOKSA-N 2 2 339.483 4.334 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)cn1 ZINC000765248795 1053476590 /nfs/dbraw/zinc/47/65/90/1053476590.db2.gz CMDOCJVTXMNNMN-GOSISDBHSA-N 2 2 338.842 4.006 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000765255008 1053480868 /nfs/dbraw/zinc/48/08/68/1053480868.db2.gz NYVJWHPRSQOQBL-JYJNAYRXSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000765255010 1053481722 /nfs/dbraw/zinc/48/17/22/1053481722.db2.gz NYVJWHPRSQOQBL-PMPSAXMXSA-N 2 2 331.529 4.252 20 0 EIADLP CC[NH+](CC)CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccc(Cl)cc1 ZINC001196005834 1053551310 /nfs/dbraw/zinc/55/13/10/1053551310.db2.gz OPGCZKQALQUZHH-UHFFFAOYSA-N 2 2 348.922 4.024 20 0 EIADLP COc1ccc2c(NCc3ccc(-n4cc[nH+]c4)cc3)cc[nH+]c2c1 ZINC000765474209 1053564308 /nfs/dbraw/zinc/56/43/08/1053564308.db2.gz MHXPNZOFCOKHIT-UHFFFAOYSA-N 2 2 330.391 4.041 20 0 EIADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(F)ccc(C)c1F ZINC001196624443 1053716616 /nfs/dbraw/zinc/71/66/16/1053716616.db2.gz ZYPJZVNPJSIGOJ-UHFFFAOYSA-N 2 2 332.438 4.357 20 0 EIADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(F)ccc(C)c1F ZINC001196624443 1053716630 /nfs/dbraw/zinc/71/66/30/1053716630.db2.gz ZYPJZVNPJSIGOJ-UHFFFAOYSA-N 2 2 332.438 4.357 20 0 EIADLP Cc1cccc(Cl)c1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264774 1053865170 /nfs/dbraw/zinc/86/51/70/1053865170.db2.gz NMCZFEHGMPSJPD-LJQANCHMSA-N 2 2 325.843 4.376 20 0 EIADLP C[C@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122339875 1053945462 /nfs/dbraw/zinc/94/54/62/1053945462.db2.gz JBJWVZBFMAKFED-MRXNPFEDSA-N 2 2 349.588 4.231 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(c4ccccc4)CCC3)CC2)cc1 ZINC000776895932 1054100905 /nfs/dbraw/zinc/10/09/05/1054100905.db2.gz ZGOYDKOVRDGVDZ-UHFFFAOYSA-N 2 2 349.522 4.390 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001198790455 1054252416 /nfs/dbraw/zinc/25/24/16/1054252416.db2.gz HYXOSBHXPODHFR-KRWDZBQOSA-N 2 2 339.483 4.048 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001198790455 1054252432 /nfs/dbraw/zinc/25/24/32/1054252432.db2.gz HYXOSBHXPODHFR-KRWDZBQOSA-N 2 2 339.483 4.048 20 0 EIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C[C@H](C)O1 ZINC001199085574 1054343302 /nfs/dbraw/zinc/34/33/02/1054343302.db2.gz LVIGDMOMMZFNAY-IRXDYDNUSA-N 2 2 344.524 4.004 20 0 EIADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001199640774 1054437120 /nfs/dbraw/zinc/43/71/20/1054437120.db2.gz XHXNWVPUAURPDT-VSKRKVRLSA-N 2 2 344.543 4.253 20 0 EIADLP Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000859161753 1054633813 /nfs/dbraw/zinc/63/38/13/1054633813.db2.gz ZSXYUZVVEQDUAI-INIZCTEOSA-N 2 2 329.513 4.257 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n2c1CCCC2 ZINC000282215310 1054655558 /nfs/dbraw/zinc/65/55/58/1054655558.db2.gz YGHWWQKIBIUVQR-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n2c1CCCC2 ZINC000282215310 1054655559 /nfs/dbraw/zinc/65/55/59/1054655559.db2.gz YGHWWQKIBIUVQR-IBGZPJMESA-N 2 2 346.478 4.147 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)cs1 ZINC001201410010 1054801424 /nfs/dbraw/zinc/80/14/24/1054801424.db2.gz GOFRJALRMGDPMA-GOSISDBHSA-N 2 2 345.556 4.238 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)cs1 ZINC001201410010 1054801430 /nfs/dbraw/zinc/80/14/30/1054801430.db2.gz GOFRJALRMGDPMA-GOSISDBHSA-N 2 2 345.556 4.238 20 0 EIADLP Cc1cccc(C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)C)c1 ZINC000347621022 1054820935 /nfs/dbraw/zinc/82/09/35/1054820935.db2.gz YTZHBXMQAALLDB-UHFFFAOYSA-N 2 2 331.529 4.171 20 0 EIADLP Cc1cccc(C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)C)c1 ZINC000347621022 1054820939 /nfs/dbraw/zinc/82/09/39/1054820939.db2.gz YTZHBXMQAALLDB-UHFFFAOYSA-N 2 2 331.529 4.171 20 0 EIADLP C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876920944 1054983130 /nfs/dbraw/zinc/98/31/30/1054983130.db2.gz GMYPFJWFXYKYLZ-IBGZPJMESA-N 2 2 349.478 4.016 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202234593 1055111141 /nfs/dbraw/zinc/11/11/41/1055111141.db2.gz UPCUEGOREPFGFT-UHFFFAOYSA-N 2 2 345.314 4.214 20 0 EIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000877795080 1055122292 /nfs/dbraw/zinc/12/22/92/1055122292.db2.gz YPRXPHBCXOWHQK-UHFFFAOYSA-N 2 2 329.513 4.137 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)(F)CC1 ZINC000655855085 1055765556 /nfs/dbraw/zinc/76/55/56/1055765556.db2.gz BIXLIIBMOHVNKO-GFCCVEGCSA-N 2 2 325.428 4.237 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)Cn1cc[nH+]c1 ZINC000062254526 1056705681 /nfs/dbraw/zinc/70/56/81/1056705681.db2.gz OKZQXUHFCRHAHE-AWEZNQCLSA-N 2 2 329.831 4.222 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc4ccccc4o3)CC2)cc1 ZINC000742378600 1058605455 /nfs/dbraw/zinc/60/54/55/1058605455.db2.gz VVLTZMIETGYAQB-UHFFFAOYSA-N 2 2 349.478 4.257 20 0 EIADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305256 1059367834 /nfs/dbraw/zinc/36/78/34/1059367834.db2.gz RQGPJHZZAXTJCY-OXJNMPFZSA-N 2 2 337.442 4.064 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323589 1059733841 /nfs/dbraw/zinc/73/38/41/1059733841.db2.gz DEEYOICLTVWKQP-LSDHHAIUSA-N 2 2 339.414 4.432 20 0 EIADLP Cc1[nH+]cn([C@H](Cc2ccccc2)CC(C)C)c1CSCC[NH3+] ZINC001169058747 1060617393 /nfs/dbraw/zinc/61/73/93/1060617393.db2.gz KNDJPBRDCRURAZ-SFHVURJKSA-N 2 2 331.529 4.213 20 0 EIADLP Cn1c[nH+]cc1-c1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151254 1060668828 /nfs/dbraw/zinc/66/88/28/1060668828.db2.gz HQFVMHUUVJOHIM-YLJYHZDGSA-N 2 2 326.488 4.043 20 0 EIADLP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723806 1060918922 /nfs/dbraw/zinc/91/89/22/1060918922.db2.gz HXFALLDQWPRFGG-RTWAWAEBSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723806 1060918950 /nfs/dbraw/zinc/91/89/50/1060918950.db2.gz HXFALLDQWPRFGG-RTWAWAEBSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723806 1060918984 /nfs/dbraw/zinc/91/89/84/1060918984.db2.gz HXFALLDQWPRFGG-RTWAWAEBSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723806 1060919009 /nfs/dbraw/zinc/91/90/09/1060919009.db2.gz HXFALLDQWPRFGG-RTWAWAEBSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000037236829 213136333 /nfs/dbraw/zinc/13/63/33/213136333.db2.gz DRAMVLDISKKJEB-LLVKDONJSA-N 2 2 331.323 4.034 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000037157699 524793422 /nfs/dbraw/zinc/79/34/22/524793422.db2.gz CBXSEJPUVGGONH-VXGBXAGGSA-N 2 2 348.244 4.131 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000459373683 1032084470 /nfs/dbraw/zinc/08/44/70/1032084470.db2.gz VZUYBTNTQMOQPL-QGZVFWFLSA-N 2 2 335.451 4.045 20 0 EIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532211976 1032090688 /nfs/dbraw/zinc/09/06/88/1032090688.db2.gz MIGSOWNZVCYTMV-INIZCTEOSA-N 2 2 337.920 4.477 20 0 EIADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459376405 1032098825 /nfs/dbraw/zinc/09/88/25/1032098825.db2.gz XCQKFZVMYCRADP-DYVFJYSZSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459376405 1032098842 /nfs/dbraw/zinc/09/88/42/1032098842.db2.gz XCQKFZVMYCRADP-DYVFJYSZSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459376407 1032099575 /nfs/dbraw/zinc/09/95/75/1032099575.db2.gz XCQKFZVMYCRADP-SUMWQHHRSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459376407 1032099594 /nfs/dbraw/zinc/09/95/94/1032099594.db2.gz XCQKFZVMYCRADP-SUMWQHHRSA-N 2 2 337.389 4.065 20 0 EIADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000532230411 1032110844 /nfs/dbraw/zinc/11/08/44/1032110844.db2.gz OMJJYMHWJZYXGM-NLWGTHIKSA-N 2 2 330.516 4.055 20 0 EIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)[C@H]1C=CCCC1 ZINC000532713684 1032139597 /nfs/dbraw/zinc/13/95/97/1032139597.db2.gz CJWONNVEMCDGDM-FQEVSTJZSA-N 2 2 339.483 4.283 20 0 EIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C=CCCC1 ZINC000532713684 1032139607 /nfs/dbraw/zinc/13/96/07/1032139607.db2.gz CJWONNVEMCDGDM-FQEVSTJZSA-N 2 2 339.483 4.283 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683609 1032147608 /nfs/dbraw/zinc/14/76/08/1032147608.db2.gz QANNFOXJJRBAFU-VORFJSHJSA-N 2 2 342.527 4.103 20 0 EIADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683609 1032147617 /nfs/dbraw/zinc/14/76/17/1032147617.db2.gz QANNFOXJJRBAFU-VORFJSHJSA-N 2 2 342.527 4.103 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC(F)F)cc1 ZINC000360079886 1032239025 /nfs/dbraw/zinc/23/90/25/1032239025.db2.gz REMGGVABYDRSSW-WBVHZDCISA-N 2 2 349.425 4.411 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000509672645 1032258571 /nfs/dbraw/zinc/25/85/71/1032258571.db2.gz KXBOBEIZUUTGKE-MRXNPFEDSA-N 2 2 345.512 4.180 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000509672645 1032258580 /nfs/dbraw/zinc/25/85/80/1032258580.db2.gz KXBOBEIZUUTGKE-MRXNPFEDSA-N 2 2 345.512 4.180 20 0 EIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529584471 1032468270 /nfs/dbraw/zinc/46/82/70/1032468270.db2.gz UHFGMSUTXROIAE-NSHDSACASA-N 2 2 325.790 4.049 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760167104 1032528196 /nfs/dbraw/zinc/52/81/96/1032528196.db2.gz HESGAUCRHYZRPD-NSHDSACASA-N 2 2 339.270 4.123 20 0 EIADLP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450490592 1032528544 /nfs/dbraw/zinc/52/85/44/1032528544.db2.gz UBYZASWAAIQFFP-HNNXBMFYSA-N 2 2 337.389 4.174 20 0 EIADLP Clc1scc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC000432741973 1032646098 /nfs/dbraw/zinc/64/60/98/1032646098.db2.gz QALAOOOFRAJADY-UHFFFAOYSA-N 2 2 333.328 4.363 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000643546976 1018902853 /nfs/dbraw/zinc/90/28/53/1018902853.db2.gz XVAQOTZGGIVMFV-MNOVXSKESA-N 2 2 331.262 4.458 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1csc(-c2ccccc2F)n1 ZINC000643548820 1018935111 /nfs/dbraw/zinc/93/51/11/1018935111.db2.gz VVNDOXCFCXUGTC-ZIAGYGMSSA-N 2 2 345.487 4.275 20 0 EIADLP Cc1cc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000471167541 1019571177 /nfs/dbraw/zinc/57/11/77/1019571177.db2.gz CSUZMHBJEKDLBR-KRWDZBQOSA-N 2 2 327.472 4.100 20 0 EIADLP Cc1cc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(C)C ZINC000471167541 1019571196 /nfs/dbraw/zinc/57/11/96/1019571196.db2.gz CSUZMHBJEKDLBR-KRWDZBQOSA-N 2 2 327.472 4.100 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000179991234 1020017886 /nfs/dbraw/zinc/01/78/86/1020017886.db2.gz OQZMZUJKIIEDNE-GOSISDBHSA-N 2 2 329.806 4.055 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2Oc2cccnc2)CC1 ZINC000109786550 1020407685 /nfs/dbraw/zinc/40/76/85/1020407685.db2.gz CCCKYMCUJJMWMH-UHFFFAOYSA-N 2 2 339.483 4.180 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2Oc2cccnc2)CC1 ZINC000109786550 1020407697 /nfs/dbraw/zinc/40/76/97/1020407697.db2.gz CCCKYMCUJJMWMH-UHFFFAOYSA-N 2 2 339.483 4.180 20 0 EIADLP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000510220165 1020484227 /nfs/dbraw/zinc/48/42/27/1020484227.db2.gz BSMWDTKLRPWNAP-QGZVFWFLSA-N 2 2 337.920 4.345 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848455 1021011756 /nfs/dbraw/zinc/01/17/56/1021011756.db2.gz FHLXSJHXAFLKAJ-WCIQWLHISA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848455 1021011763 /nfs/dbraw/zinc/01/17/63/1021011763.db2.gz FHLXSJHXAFLKAJ-WCIQWLHISA-N 2 2 327.516 4.023 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849028 1021016441 /nfs/dbraw/zinc/01/64/41/1021016441.db2.gz OWJJIFSLLQYGQJ-BULFRSBZSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-c2ccncc2)cc1 ZINC000655849028 1021016444 /nfs/dbraw/zinc/01/64/44/1021016444.db2.gz OWJJIFSLLQYGQJ-BULFRSBZSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340439311 1021027098 /nfs/dbraw/zinc/02/70/98/1021027098.db2.gz KFLUUELSKIQRLP-PVSGBFIBSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340439311 1021027108 /nfs/dbraw/zinc/02/71/08/1021027108.db2.gz KFLUUELSKIQRLP-PVSGBFIBSA-N 2 2 349.522 4.075 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000340469737 1021075851 /nfs/dbraw/zinc/07/58/51/1021075851.db2.gz KUUGVSOTNDOMBY-RDJZCZTQSA-N 2 2 327.472 4.066 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000340469737 1021075860 /nfs/dbraw/zinc/07/58/60/1021075860.db2.gz KUUGVSOTNDOMBY-RDJZCZTQSA-N 2 2 327.472 4.066 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000414119793 1021878524 /nfs/dbraw/zinc/87/85/24/1021878524.db2.gz WXAZBXBOLWHBNT-XIRDDKMYSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305869 1021890153 /nfs/dbraw/zinc/89/01/53/1021890153.db2.gz DDMKJFVYPCKPBI-MAUKXSAKSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305869 1021890155 /nfs/dbraw/zinc/89/01/55/1021890155.db2.gz DDMKJFVYPCKPBI-MAUKXSAKSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038055 1021963975 /nfs/dbraw/zinc/96/39/75/1021963975.db2.gz QQPCJQZBGFWZKF-FOIQADDNSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038055 1021963983 /nfs/dbraw/zinc/96/39/83/1021963983.db2.gz QQPCJQZBGFWZKF-FOIQADDNSA-N 2 2 346.877 4.479 20 0 EIADLP CC(C)Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000893079578 1022009557 /nfs/dbraw/zinc/00/95/57/1022009557.db2.gz JXYODBKRHROZPG-NRFANRHFSA-N 2 2 348.494 4.087 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Cl)cc1Cl ZINC000377799697 1022012753 /nfs/dbraw/zinc/01/27/53/1022012753.db2.gz YFXZWOGTRIJNDI-DTWKUNHWSA-N 2 2 328.218 4.064 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000377838145 1022043797 /nfs/dbraw/zinc/04/37/97/1022043797.db2.gz VZDUVGGRQCFIKG-QGZVFWFLSA-N 2 2 335.451 4.021 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)CCC2 ZINC000377943127 1022130870 /nfs/dbraw/zinc/13/08/70/1022130870.db2.gz CFIUHPXBBSVJMG-HIFRSBDPSA-N 2 2 348.288 4.182 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471593616 1022201615 /nfs/dbraw/zinc/20/16/15/1022201615.db2.gz MJBLPSVVUAWZAB-SOLBZPMBSA-N 2 2 344.524 4.318 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471593616 1022201629 /nfs/dbraw/zinc/20/16/29/1022201629.db2.gz MJBLPSVVUAWZAB-SOLBZPMBSA-N 2 2 344.524 4.318 20 0 EIADLP COc1ccc2cc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2c1 ZINC000182089208 1022306513 /nfs/dbraw/zinc/30/65/13/1022306513.db2.gz YPNFGOOJBQFBNE-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP COc1ccc2cc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2c1 ZINC000182089208 1022306525 /nfs/dbraw/zinc/30/65/25/1022306525.db2.gz YPNFGOOJBQFBNE-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)CCC2 ZINC000378184914 1022485166 /nfs/dbraw/zinc/48/51/66/1022485166.db2.gz QKMAUIPUDDNXSF-KBPBESRZSA-N 2 2 337.389 4.439 20 0 EIADLP COC1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000893184882 1022566772 /nfs/dbraw/zinc/56/67/72/1022566772.db2.gz ZJOXRRSXOZEUGE-GZNCHQMQSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378389939 1022784237 /nfs/dbraw/zinc/78/42/37/1022784237.db2.gz BFWWKEGMRKPNMR-RBDMOPTHSA-N 2 2 347.462 4.301 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000581458330 1023237179 /nfs/dbraw/zinc/23/71/79/1023237179.db2.gz MVWPUVKHPVDIIE-VFNWGFHPSA-N 2 2 335.426 4.094 20 0 EIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]Cc3ccoc3)cc2)c[nH+]1 ZINC000728782319 1023480380 /nfs/dbraw/zinc/48/03/80/1023480380.db2.gz JUYFMZCOPMEGLN-UHFFFAOYSA-N 2 2 343.430 4.481 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430626271 1023498416 /nfs/dbraw/zinc/49/84/16/1023498416.db2.gz LIFCBTXLBHLYQN-INIZCTEOSA-N 2 2 346.421 4.189 20 0 EIADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430626271 1023498420 /nfs/dbraw/zinc/49/84/20/1023498420.db2.gz LIFCBTXLBHLYQN-INIZCTEOSA-N 2 2 346.421 4.189 20 0 EIADLP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000783237121 1023620685 /nfs/dbraw/zinc/62/06/85/1023620685.db2.gz QHJHMEACFURGIF-VGOFRKELSA-N 2 2 331.463 4.487 20 0 EIADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000194868558 1023788364 /nfs/dbraw/zinc/78/83/64/1023788364.db2.gz OQPWMYDGTKVGPB-FQEVSTJZSA-N 2 2 333.435 4.048 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cc1Cl ZINC000581911092 1023871721 /nfs/dbraw/zinc/87/17/21/1023871721.db2.gz GBJYERGHHISBQF-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cc1Cl ZINC000581911092 1023871723 /nfs/dbraw/zinc/87/17/23/1023871723.db2.gz GBJYERGHHISBQF-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000430696966 1023901078 /nfs/dbraw/zinc/90/10/78/1023901078.db2.gz KQCSGIXHEKMVNN-SXLOBPIMSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1cc(OCCC[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000510708000 1024289876 /nfs/dbraw/zinc/28/98/76/1024289876.db2.gz ZHPRUTDHICFNQH-HZPDHXFCSA-N 2 2 335.879 4.071 20 0 EIADLP CCCCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648791 1024830488 /nfs/dbraw/zinc/83/04/88/1024830488.db2.gz HHKSICRLNCJRPT-UHFFFAOYSA-N 2 2 327.472 4.289 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000249031107 1024875945 /nfs/dbraw/zinc/87/59/45/1024875945.db2.gz RGJQESNOHZAVSU-VXGBXAGGSA-N 2 2 331.287 4.082 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000249031107 1024875952 /nfs/dbraw/zinc/87/59/52/1024875952.db2.gz RGJQESNOHZAVSU-VXGBXAGGSA-N 2 2 331.287 4.082 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803854 1024962815 /nfs/dbraw/zinc/96/28/15/1024962815.db2.gz CKDGLPZFBUUDGK-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803854 1024962827 /nfs/dbraw/zinc/96/28/27/1024962827.db2.gz CKDGLPZFBUUDGK-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535803854 1024962835 /nfs/dbraw/zinc/96/28/35/1024962835.db2.gz CKDGLPZFBUUDGK-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535803854 1024962846 /nfs/dbraw/zinc/96/28/46/1024962846.db2.gz CKDGLPZFBUUDGK-QAPCUYQASA-N 2 2 338.417 4.154 20 0 EIADLP CCC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000326661144 1025000011 /nfs/dbraw/zinc/00/00/11/1025000011.db2.gz JBASGJMEORUEGF-QZTJIDSGSA-N 2 2 344.459 4.337 20 0 EIADLP Cc1c2cccc(Cl)c2sc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000549823388 1033254818 /nfs/dbraw/zinc/25/48/18/1033254818.db2.gz QVVUHHCBKYTMRV-LLVKDONJSA-N 2 2 331.872 4.233 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000121342734 1025199859 /nfs/dbraw/zinc/19/98/59/1025199859.db2.gz VLSBNJPHEJVUPA-CQSZACIVSA-N 2 2 349.400 4.420 20 0 EIADLP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c2ccccc12 ZINC000150975386 1025241803 /nfs/dbraw/zinc/24/18/03/1025241803.db2.gz CQQZWCFJVIOSAG-HOTGVXAUSA-N 2 2 335.451 4.019 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)c(F)c(F)c1 ZINC000151330655 1025282386 /nfs/dbraw/zinc/28/23/86/1025282386.db2.gz UFBCXFNGNDDWQM-ZDUSSCGKSA-N 2 2 345.368 4.200 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000151337217 1025283557 /nfs/dbraw/zinc/28/35/57/1025283557.db2.gz BGCRUDCFEDWWNQ-FQEVSTJZSA-N 2 2 341.405 4.451 20 0 EIADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151354548 1025285783 /nfs/dbraw/zinc/28/57/83/1025285783.db2.gz GOBCQBSQBIXQRB-QGZVFWFLSA-N 2 2 335.451 4.181 20 0 EIADLP CCCc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278896295 1025361830 /nfs/dbraw/zinc/36/18/30/1025361830.db2.gz OUTWZQBSIABZGM-UHFFFAOYSA-N 2 2 344.528 4.008 20 0 EIADLP Cc1ccc2[nH]c(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc2c1C ZINC000472054527 1025540137 /nfs/dbraw/zinc/54/01/37/1025540137.db2.gz VHHJJOGHAMSLJU-UHFFFAOYSA-N 2 2 344.462 4.319 20 0 EIADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1F ZINC000432410850 1025880211 /nfs/dbraw/zinc/88/02/11/1025880211.db2.gz SFVGMORSVQGXDK-WMLDXEAASA-N 2 2 342.886 4.021 20 0 EIADLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1F ZINC000432410850 1025880212 /nfs/dbraw/zinc/88/02/12/1025880212.db2.gz SFVGMORSVQGXDK-WMLDXEAASA-N 2 2 342.886 4.021 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CCC2 ZINC000344028734 1025889582 /nfs/dbraw/zinc/88/95/82/1025889582.db2.gz ABRABGVGPKJKPO-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000164176297 1025889845 /nfs/dbraw/zinc/88/98/45/1025889845.db2.gz ITFSAHKAFRZVGH-UTKZUKDTSA-N 2 2 334.467 4.358 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000344033205 1025892467 /nfs/dbraw/zinc/89/24/67/1025892467.db2.gz ZNEOQIRAOCLSOR-NQIIRXRSSA-N 2 2 326.484 4.047 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000344033205 1025892469 /nfs/dbraw/zinc/89/24/69/1025892469.db2.gz ZNEOQIRAOCLSOR-NQIIRXRSSA-N 2 2 326.484 4.047 20 0 EIADLP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000187773123 1025893133 /nfs/dbraw/zinc/89/31/33/1025893133.db2.gz WSJSILCPOQYDLW-CTNGQTDRSA-N 2 2 335.495 4.051 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cnc2ccsc2c1 ZINC000152116046 1026114339 /nfs/dbraw/zinc/11/43/39/1026114339.db2.gz HCXUWXZYFJQMGO-HNNXBMFYSA-N 2 2 348.475 4.392 20 0 EIADLP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000550105721 1026121659 /nfs/dbraw/zinc/12/16/59/1026121659.db2.gz UHFZJXLEPRHGPQ-UHFFFAOYSA-N 2 2 329.806 4.263 20 0 EIADLP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1 ZINC000657329418 1026126314 /nfs/dbraw/zinc/12/63/14/1026126314.db2.gz QWDUWRQKEOXTHA-UHFFFAOYSA-N 2 2 339.414 4.008 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000303794630 1026171972 /nfs/dbraw/zinc/17/19/72/1026171972.db2.gz VOSPSCCLRZUPGY-YLJYHZDGSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000303794630 1026171985 /nfs/dbraw/zinc/17/19/85/1026171985.db2.gz VOSPSCCLRZUPGY-YLJYHZDGSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794630 1026171992 /nfs/dbraw/zinc/17/19/92/1026171992.db2.gz VOSPSCCLRZUPGY-YLJYHZDGSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000303794630 1026172000 /nfs/dbraw/zinc/17/20/00/1026172000.db2.gz VOSPSCCLRZUPGY-YLJYHZDGSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1cc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1F ZINC000894548148 1026199708 /nfs/dbraw/zinc/19/97/08/1026199708.db2.gz XJCYBTMYFKGSRV-XEZPLFJOSA-N 2 2 349.400 4.000 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000327564061 1026205072 /nfs/dbraw/zinc/20/50/72/1026205072.db2.gz UZESBDJPKOZYBK-QFIPXVFZSA-N 2 2 333.479 4.408 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OC(F)F ZINC000152235426 1026238268 /nfs/dbraw/zinc/23/82/68/1026238268.db2.gz KNURRSNWQMPWKG-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCS2 ZINC000162830439 1026312690 /nfs/dbraw/zinc/31/26/90/1026312690.db2.gz DLFHFOKWVXSKEU-INIZCTEOSA-N 2 2 331.460 4.240 20 0 EIADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000391087459 1026321174 /nfs/dbraw/zinc/32/11/74/1026321174.db2.gz XBCGOSSSDXZCLJ-NRFANRHFSA-N 2 2 337.511 4.034 20 0 EIADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000391087459 1026321188 /nfs/dbraw/zinc/32/11/88/1026321188.db2.gz XBCGOSSSDXZCLJ-NRFANRHFSA-N 2 2 337.511 4.034 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582210748 1026330998 /nfs/dbraw/zinc/33/09/98/1026330998.db2.gz GUSOSAKRHCVPPA-QFBILLFUSA-N 2 2 337.492 4.211 20 0 EIADLP Cc1ccc(COc2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2)cc1 ZINC000062254700 1026332781 /nfs/dbraw/zinc/33/27/81/1026332781.db2.gz MNZKYJZOHNKIKW-IBGZPJMESA-N 2 2 349.478 4.196 20 0 EIADLP FC(F)(F)c1cccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000511105792 1026512335 /nfs/dbraw/zinc/51/23/35/1026512335.db2.gz KFKPLTIUCAMGEE-INIZCTEOSA-N 2 2 337.389 4.172 20 0 EIADLP FC(F)(F)c1cccc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000511105792 1026512342 /nfs/dbraw/zinc/51/23/42/1026512342.db2.gz KFKPLTIUCAMGEE-INIZCTEOSA-N 2 2 337.389 4.172 20 0 EIADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000344898919 1026700390 /nfs/dbraw/zinc/70/03/90/1026700390.db2.gz VPUWFVKTQFFFOT-KRWDZBQOSA-N 2 2 343.452 4.010 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000507459657 1026800444 /nfs/dbraw/zinc/80/04/44/1026800444.db2.gz GJEQVBIBROOSBM-SFHVURJKSA-N 2 2 337.511 4.268 20 0 EIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152800024 1026849128 /nfs/dbraw/zinc/84/91/28/1026849128.db2.gz HSWJOTHROAYVKR-CYBMUJFWSA-N 2 2 346.544 4.175 20 0 EIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC(F)F ZINC000152799807 1026849732 /nfs/dbraw/zinc/84/97/32/1026849732.db2.gz PMYMFXUBCAFUSE-INIZCTEOSA-N 2 2 349.425 4.104 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3cccnc32)c(C)c1 ZINC000684960990 1026901636 /nfs/dbraw/zinc/90/16/36/1026901636.db2.gz WBCANNHLYHEZBS-SFTDATJTSA-N 2 2 346.478 4.303 20 0 EIADLP C[C@@H]1CC([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040964 1027405674 /nfs/dbraw/zinc/40/56/74/1027405674.db2.gz PKKCDFHRCBZVRT-YKCBXCCJSA-N 2 2 336.470 4.200 20 0 EIADLP C[C@@H]1CC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040964 1027405684 /nfs/dbraw/zinc/40/56/84/1027405684.db2.gz PKKCDFHRCBZVRT-YKCBXCCJSA-N 2 2 336.470 4.200 20 0 EIADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000189011644 1028071375 /nfs/dbraw/zinc/07/13/75/1028071375.db2.gz PEKNSWQZZZCRLK-UHFFFAOYSA-N 2 2 332.797 4.075 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1F ZINC000189281826 1028102245 /nfs/dbraw/zinc/10/22/45/1028102245.db2.gz AIMWKCVDYCUWOP-UHFFFAOYSA-N 2 2 347.796 4.402 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000523738526 1028341646 /nfs/dbraw/zinc/34/16/46/1028341646.db2.gz ZMMIOYDYTIVKTE-UHFFFAOYSA-N 2 2 330.447 4.360 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000346319554 1028373461 /nfs/dbraw/zinc/37/34/61/1028373461.db2.gz YKBMNFMQLAITPR-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000346319554 1028373483 /nfs/dbraw/zinc/37/34/83/1028373483.db2.gz YKBMNFMQLAITPR-QGZVFWFLSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346310696 1028380262 /nfs/dbraw/zinc/38/02/62/1028380262.db2.gz NHWNVKWCBKZPDU-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000346310696 1028380277 /nfs/dbraw/zinc/38/02/77/1028380277.db2.gz NHWNVKWCBKZPDU-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000428397098 1028445275 /nfs/dbraw/zinc/44/52/75/1028445275.db2.gz BBDMUPQOCWRYHS-SFHVURJKSA-N 2 2 333.520 4.050 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000428397098 1028445283 /nfs/dbraw/zinc/44/52/83/1028445283.db2.gz BBDMUPQOCWRYHS-SFHVURJKSA-N 2 2 333.520 4.050 20 0 EIADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCS2 ZINC000427614255 1028697497 /nfs/dbraw/zinc/69/74/97/1028697497.db2.gz WHQIFUOFFNDKON-GOSISDBHSA-N 2 2 341.524 4.205 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647291317 1028717192 /nfs/dbraw/zinc/71/71/92/1028717192.db2.gz MKVCYYALTDLLEM-HOTGVXAUSA-N 2 2 349.482 4.125 20 0 EIADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000346975223 1028835214 /nfs/dbraw/zinc/83/52/14/1028835214.db2.gz VOYIGIIHAWTFJO-PBHICJAKSA-N 2 2 344.528 4.073 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000524339772 1028868109 /nfs/dbraw/zinc/86/81/09/1028868109.db2.gz UYZHYRVUHSHJFQ-HEHNFIMWSA-N 2 2 344.543 4.351 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428430027 1029126326 /nfs/dbraw/zinc/12/63/26/1029126326.db2.gz GUEYEGXSAWATCT-LPHOPBHVSA-N 2 2 341.499 4.107 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428430027 1029126336 /nfs/dbraw/zinc/12/63/36/1029126336.db2.gz GUEYEGXSAWATCT-LPHOPBHVSA-N 2 2 341.499 4.107 20 0 EIADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000151149556 1029191710 /nfs/dbraw/zinc/19/17/10/1029191710.db2.gz JWZCDFRQDSFXRQ-MRXNPFEDSA-N 2 2 325.378 4.423 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000343438750 1029250477 /nfs/dbraw/zinc/25/04/77/1029250477.db2.gz FXLQQRWCYMXFQY-UXHICEINSA-N 2 2 346.478 4.392 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000343438854 1029252552 /nfs/dbraw/zinc/25/25/52/1029252552.db2.gz GHIFJXDIWAHEHO-AZUAARDMSA-N 2 2 346.478 4.392 20 0 EIADLP C[NH+](C)[C@H]1CCOc2c(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cccc21 ZINC001213090963 1029268145 /nfs/dbraw/zinc/26/81/45/1029268145.db2.gz OPUHFXGKLIOYMJ-SFHVURJKSA-N 2 2 334.423 4.206 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)CC2 ZINC000427871611 1029275069 /nfs/dbraw/zinc/27/50/69/1029275069.db2.gz LEFAREZLRUFHDJ-VXKWHMMOSA-N 2 2 345.490 4.032 20 0 EIADLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157936114 1029287615 /nfs/dbraw/zinc/28/76/15/1029287615.db2.gz WIKYXDQVCGRQDY-OALUTQOASA-N 3 2 340.515 4.035 20 0 EIADLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157936114 1029287630 /nfs/dbraw/zinc/28/76/30/1029287630.db2.gz WIKYXDQVCGRQDY-OALUTQOASA-N 3 2 340.515 4.035 20 0 EIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000475277809 1029485082 /nfs/dbraw/zinc/48/50/82/1029485082.db2.gz HGOLZNGXQQDBMH-QGZVFWFLSA-N 2 2 343.540 4.052 20 0 EIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000475277809 1029485087 /nfs/dbraw/zinc/48/50/87/1029485087.db2.gz HGOLZNGXQQDBMH-QGZVFWFLSA-N 2 2 343.540 4.052 20 0 EIADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960514 1029766697 /nfs/dbraw/zinc/76/66/97/1029766697.db2.gz ZUVCCALAWYOSJM-JSGCOSHPSA-N 2 2 339.361 4.249 20 0 EIADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960514 1029766703 /nfs/dbraw/zinc/76/67/03/1029766703.db2.gz ZUVCCALAWYOSJM-JSGCOSHPSA-N 2 2 339.361 4.249 20 0 EIADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657845149 1029769045 /nfs/dbraw/zinc/76/90/45/1029769045.db2.gz QIQLLXXFVHVTBM-KRWDZBQOSA-N 2 2 339.405 4.293 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(C)noc1C ZINC000090887299 1029865064 /nfs/dbraw/zinc/86/50/64/1029865064.db2.gz APWKPWXSIMCMEM-FQEVSTJZSA-N 2 2 341.499 4.039 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072187 1029898858 /nfs/dbraw/zinc/89/88/58/1029898858.db2.gz BMAQODBBWQSPEN-CYBMUJFWSA-N 2 2 343.377 4.328 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072187 1029898860 /nfs/dbraw/zinc/89/88/60/1029898860.db2.gz BMAQODBBWQSPEN-CYBMUJFWSA-N 2 2 343.377 4.328 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092750024 1029945326 /nfs/dbraw/zinc/94/53/26/1029945326.db2.gz VNNLBSRHJYMNIQ-CVEARBPZSA-N 2 2 327.447 4.097 20 0 EIADLP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303218861 1029957295 /nfs/dbraw/zinc/95/72/95/1029957295.db2.gz UKVRNTOVJOBZKQ-FQEVSTJZSA-N 2 2 333.435 4.218 20 0 EIADLP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303218861 1029957324 /nfs/dbraw/zinc/95/73/24/1029957324.db2.gz UKVRNTOVJOBZKQ-FQEVSTJZSA-N 2 2 333.435 4.218 20 0 EIADLP CC[N@@H+](Cc1cc(C)sc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781085 1030016389 /nfs/dbraw/zinc/01/63/89/1030016389.db2.gz JQMSWAJBVRAUKC-UHFFFAOYSA-N 2 2 343.540 4.498 20 0 EIADLP CC[N@H+](Cc1cc(C)sc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781085 1030016406 /nfs/dbraw/zinc/01/64/06/1030016406.db2.gz JQMSWAJBVRAUKC-UHFFFAOYSA-N 2 2 343.540 4.498 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000390874012 1030070084 /nfs/dbraw/zinc/07/00/84/1030070084.db2.gz RKGAUKVAIGMSSC-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000390874012 1030070100 /nfs/dbraw/zinc/07/01/00/1030070100.db2.gz RKGAUKVAIGMSSC-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000392267006 1030082183 /nfs/dbraw/zinc/08/21/83/1030082183.db2.gz XXBVPEREZGPXGY-WOJBJXKFSA-N 2 2 330.516 4.008 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001168158261 1030093546 /nfs/dbraw/zinc/09/35/46/1030093546.db2.gz LTRXJASAURPXLB-INIZCTEOSA-N 2 2 343.902 4.172 20 0 EIADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450942968 1030120884 /nfs/dbraw/zinc/12/08/84/1030120884.db2.gz VOZMNHBSAHJGEL-HFCFLWKCSA-N 2 2 345.556 4.010 20 0 EIADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450942968 1030120909 /nfs/dbraw/zinc/12/09/09/1030120909.db2.gz VOZMNHBSAHJGEL-HFCFLWKCSA-N 2 2 345.556 4.010 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CCC2 ZINC000367387083 1030145868 /nfs/dbraw/zinc/14/58/68/1030145868.db2.gz ZVWYMFDYCQVSBA-BEFAXECRSA-N 2 2 334.467 4.217 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530221401 1030215445 /nfs/dbraw/zinc/21/54/45/1030215445.db2.gz PZNUQAOUAIWOHT-BBRMVZONSA-N 2 2 327.497 4.054 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226267 1030218630 /nfs/dbraw/zinc/21/86/30/1030218630.db2.gz ZEZZCOROZDLVBC-BLLLJJGKSA-N 2 2 345.487 4.193 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000429726144 1030239986 /nfs/dbraw/zinc/23/99/86/1030239986.db2.gz QPDAAPMRRKMGSB-UHFFFAOYSA-N 2 2 340.467 4.221 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001168169232 1030450428 /nfs/dbraw/zinc/45/04/28/1030450428.db2.gz XODCJNQSHCTEHO-AWEZNQCLSA-N 2 2 325.843 4.466 20 0 EIADLP CCOC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000657930690 1030623093 /nfs/dbraw/zinc/62/30/93/1030623093.db2.gz KASIYNOBKGYTCI-GRERDSQWSA-N 2 2 341.499 4.179 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657931510 1030624557 /nfs/dbraw/zinc/62/45/57/1030624557.db2.gz MVZDUYVULBTQQX-LDTOTXGLSA-N 2 2 327.516 4.021 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000192112285 1030673433 /nfs/dbraw/zinc/67/34/33/1030673433.db2.gz QLAZVAGFWAFGOL-UHFFFAOYSA-N 2 2 338.480 4.196 20 0 EIADLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)sc1C ZINC000192112569 1030674257 /nfs/dbraw/zinc/67/42/57/1030674257.db2.gz NCUMAMZBKQPXDE-UHFFFAOYSA-N 2 2 340.496 4.279 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCCCC[C@H]3c3ccncc3)cc2)c[nH+]1 ZINC000101544808 1030714105 /nfs/dbraw/zinc/71/41/05/1030714105.db2.gz VMVICNVHJWVSNM-NRFANRHFSA-N 2 2 332.451 4.385 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCCCC[C@H]3c3ccncc3)cc2)c[nH+]1 ZINC000101544808 1030714130 /nfs/dbraw/zinc/71/41/30/1030714130.db2.gz VMVICNVHJWVSNM-NRFANRHFSA-N 2 2 332.451 4.385 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000398187752 1030732147 /nfs/dbraw/zinc/73/21/47/1030732147.db2.gz YPJXSNZTPSSNPD-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000398187752 1030732166 /nfs/dbraw/zinc/73/21/66/1030732166.db2.gz YPJXSNZTPSSNPD-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000657998159 1030757959 /nfs/dbraw/zinc/75/79/59/1030757959.db2.gz JIGSHDWAYPHKGA-JWRYVHENSA-N 2 2 344.465 4.206 20 0 EIADLP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000527641241 1030795381 /nfs/dbraw/zinc/79/53/81/1030795381.db2.gz MOCUIFWRGPFLQI-UHFFFAOYSA-N 2 2 342.449 4.451 20 0 EIADLP Fc1ccc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)o2)cc1 ZINC000530961114 1030817532 /nfs/dbraw/zinc/81/75/32/1030817532.db2.gz VMKILGWQBQEDQI-UHFFFAOYSA-N 2 2 325.387 4.073 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949023 1030965034 /nfs/dbraw/zinc/96/50/34/1030965034.db2.gz NQICBPAWJMESSN-YOEHRIQHSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949023 1030965059 /nfs/dbraw/zinc/96/50/59/1030965059.db2.gz NQICBPAWJMESSN-YOEHRIQHSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319737 1030982228 /nfs/dbraw/zinc/98/22/28/1030982228.db2.gz HPZXZWLMOSJRDP-AEFFLSMTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319737 1030982245 /nfs/dbraw/zinc/98/22/45/1030982245.db2.gz HPZXZWLMOSJRDP-AEFFLSMTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009163 1031036148 /nfs/dbraw/zinc/03/61/48/1031036148.db2.gz HASJJAHHQBRBHM-VGSWGCGISA-N 2 2 335.495 4.416 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009163 1031036167 /nfs/dbraw/zinc/03/61/67/1031036167.db2.gz HASJJAHHQBRBHM-VGSWGCGISA-N 2 2 335.495 4.416 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030627 1031366697 /nfs/dbraw/zinc/36/66/97/1031366697.db2.gz SCVFCRIKLKFUMT-KSSFIOAISA-N 2 2 347.503 4.111 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030627 1031366712 /nfs/dbraw/zinc/36/67/12/1031366712.db2.gz SCVFCRIKLKFUMT-KSSFIOAISA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030627 1031366728 /nfs/dbraw/zinc/36/67/28/1031366728.db2.gz SCVFCRIKLKFUMT-KSSFIOAISA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@@H](C)C1 ZINC000449030627 1031366745 /nfs/dbraw/zinc/36/67/45/1031366745.db2.gz SCVFCRIKLKFUMT-KSSFIOAISA-N 2 2 347.503 4.111 20 0 EIADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(-c2ccccc2)n1C ZINC000453074448 1031540717 /nfs/dbraw/zinc/54/07/17/1031540717.db2.gz GOQKQKDDVGSUTM-OAHLLOKOSA-N 2 2 340.515 4.047 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cncc(F)c1 ZINC000125160698 1031577875 /nfs/dbraw/zinc/57/78/75/1031577875.db2.gz XNADHELPFSCIJE-CVEARBPZSA-N 2 2 327.447 4.097 20 0 EIADLP CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000453088003 1031579834 /nfs/dbraw/zinc/57/98/34/1031579834.db2.gz MNWLEZPQCNYKEB-SFHVURJKSA-N 2 2 340.515 4.130 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)cn1 ZINC000126401734 1031647914 /nfs/dbraw/zinc/64/79/14/1031647914.db2.gz IBMNMVXKHNEOFG-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP c1ccc([C@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000449399373 1031702292 /nfs/dbraw/zinc/70/22/92/1031702292.db2.gz AHQFWNBOPHUTKR-FYYLOGMGSA-N 2 2 349.522 4.220 20 0 EIADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453351327 1031878954 /nfs/dbraw/zinc/87/89/54/1031878954.db2.gz IHTZWQANTTZZCI-APWZRJJASA-N 2 2 327.497 4.152 20 0 EIADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453351327 1031878962 /nfs/dbraw/zinc/87/89/62/1031878962.db2.gz IHTZWQANTTZZCI-APWZRJJASA-N 2 2 327.497 4.152 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCSc3ccccc32)[nH+]1 ZINC000132149754 1031899164 /nfs/dbraw/zinc/89/91/64/1031899164.db2.gz BTGRDGYTAMEBLV-LJQANCHMSA-N 2 2 349.503 4.301 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000132269080 1031908854 /nfs/dbraw/zinc/90/88/54/1031908854.db2.gz IDHSMMNHHHSXRV-HXUWFJFHSA-N 2 2 337.442 4.354 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264679 1032023957 /nfs/dbraw/zinc/02/39/57/1032023957.db2.gz LKHFTQMVZLDIST-HBUWYVDXSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264679 1032023964 /nfs/dbraw/zinc/02/39/64/1032023964.db2.gz LKHFTQMVZLDIST-HBUWYVDXSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264679 1032023986 /nfs/dbraw/zinc/02/39/86/1032023986.db2.gz LKHFTQMVZLDIST-HBUWYVDXSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168264679 1032024008 /nfs/dbraw/zinc/02/40/08/1032024008.db2.gz LKHFTQMVZLDIST-HBUWYVDXSA-N 2 2 336.882 4.489 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866455 1033489379 /nfs/dbraw/zinc/48/93/79/1033489379.db2.gz XNIPHBHOTAENEA-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866455 1033489388 /nfs/dbraw/zinc/48/93/88/1033489388.db2.gz XNIPHBHOTAENEA-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866455 1033489400 /nfs/dbraw/zinc/48/94/00/1033489400.db2.gz XNIPHBHOTAENEA-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000549866455 1033489411 /nfs/dbraw/zinc/48/94/11/1033489411.db2.gz XNIPHBHOTAENEA-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000411498340 1033942077 /nfs/dbraw/zinc/94/20/77/1033942077.db2.gz BBVSQXZCCMFHHD-VQTJNVASSA-N 2 2 327.447 4.071 20 0 EIADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513450364 1034961804 /nfs/dbraw/zinc/96/18/04/1034961804.db2.gz JQGHLAWGLKHSBS-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513450364 1034961811 /nfs/dbraw/zinc/96/18/11/1034961811.db2.gz JQGHLAWGLKHSBS-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489335 1034982709 /nfs/dbraw/zinc/98/27/09/1034982709.db2.gz HHSNQIFRGBAMCK-UTKZUKDTSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489335 1034982714 /nfs/dbraw/zinc/98/27/14/1034982714.db2.gz HHSNQIFRGBAMCK-UTKZUKDTSA-N 2 2 338.495 4.499 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCO2 ZINC000151331001 1035705365 /nfs/dbraw/zinc/70/53/65/1035705365.db2.gz TWUUJSXXMJXJKR-OAQYLSRUSA-N 2 2 347.462 4.107 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502053328 1035827366 /nfs/dbraw/zinc/82/73/66/1035827366.db2.gz QPZLAZLRVUWTMY-QKNQBKEWSA-N 2 2 344.543 4.445 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502053329 1035827918 /nfs/dbraw/zinc/82/79/18/1035827918.db2.gz QPZLAZLRVUWTMY-SBHAEUEKSA-N 2 2 344.543 4.445 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502313275 1036090258 /nfs/dbraw/zinc/09/02/58/1036090258.db2.gz RHTSUPBBXPGNSE-KRWDZBQOSA-N 2 2 341.474 4.301 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502313275 1036090283 /nfs/dbraw/zinc/09/02/83/1036090283.db2.gz RHTSUPBBXPGNSE-KRWDZBQOSA-N 2 2 341.474 4.301 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000237168923 1036101539 /nfs/dbraw/zinc/10/15/39/1036101539.db2.gz APVWYGWURUKEQV-UHFFFAOYSA-N 2 2 338.373 4.149 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502683580 1036500225 /nfs/dbraw/zinc/50/02/25/1036500225.db2.gz DVFBFNHRKBAOAJ-GOSISDBHSA-N 2 2 340.515 4.171 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000502683580 1036500245 /nfs/dbraw/zinc/50/02/45/1036500245.db2.gz DVFBFNHRKBAOAJ-GOSISDBHSA-N 2 2 340.515 4.171 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1ccncc1Cl)[N@H+](C)Cc1ccccc1 ZINC000421829225 1036784519 /nfs/dbraw/zinc/78/45/19/1036784519.db2.gz HCQWTHDKCVKYEU-HZPDHXFCSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1ccncc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000421829225 1036784547 /nfs/dbraw/zinc/78/45/47/1036784547.db2.gz HCQWTHDKCVKYEU-HZPDHXFCSA-N 2 2 331.891 4.296 20 0 EIADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C(C)C)c(F)c1 ZINC000421828969 1036785295 /nfs/dbraw/zinc/78/52/95/1036785295.db2.gz GGUMZJWGRIFGAY-DNVCBOLYSA-N 2 2 345.462 4.204 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)CCC2 ZINC000421828770 1036786302 /nfs/dbraw/zinc/78/63/02/1036786302.db2.gz FEJQWDRFFYNQIK-WFASDCNBSA-N 2 2 335.854 4.082 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000421834593 1036795170 /nfs/dbraw/zinc/79/51/70/1036795170.db2.gz CNBMKLLBQNOAFI-RYRKJORJSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421834593 1036795199 /nfs/dbraw/zinc/79/51/99/1036795199.db2.gz CNBMKLLBQNOAFI-RYRKJORJSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000421834594 1036795704 /nfs/dbraw/zinc/79/57/04/1036795704.db2.gz CNBMKLLBQNOAFI-SOLBZPMBSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421834594 1036795718 /nfs/dbraw/zinc/79/57/18/1036795718.db2.gz CNBMKLLBQNOAFI-SOLBZPMBSA-N 2 2 343.902 4.296 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C(C)C)c(F)c1 ZINC000421858933 1036811808 /nfs/dbraw/zinc/81/18/08/1036811808.db2.gz RXAIFESJYHXKQS-PMTKGXAQSA-N 2 2 334.479 4.138 20 0 EIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000272541901 1037216871 /nfs/dbraw/zinc/21/68/71/1037216871.db2.gz KSVOJCBPCRSSGB-UHFFFAOYSA-N 2 2 346.412 4.110 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272869453 1037314873 /nfs/dbraw/zinc/31/48/73/1037314873.db2.gz VZSBRBMIBQBOJW-YJBOKZPZSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272869453 1037314892 /nfs/dbraw/zinc/31/48/92/1037314892.db2.gz VZSBRBMIBQBOJW-YJBOKZPZSA-N 2 2 341.524 4.021 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000604414791 1037381982 /nfs/dbraw/zinc/38/19/82/1037381982.db2.gz XXSOECIRQPJTJW-UHFFFAOYSA-N 2 2 334.410 4.190 20 0 EIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488429276 1037589051 /nfs/dbraw/zinc/58/90/51/1037589051.db2.gz DRVNHRAGZJYJKN-YOEHRIQHSA-N 2 2 333.476 4.021 20 0 EIADLP Clc1cccc(-c2cnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000591866871 1037644985 /nfs/dbraw/zinc/64/49/85/1037644985.db2.gz IEFIOWVPAVWNKC-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000591866871 1037645004 /nfs/dbraw/zinc/64/50/04/1037645004.db2.gz IEFIOWVPAVWNKC-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378670 1037728477 /nfs/dbraw/zinc/72/84/77/1037728477.db2.gz QEXYGQVPMKTIAQ-ZBFHGGJFSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378670 1037728493 /nfs/dbraw/zinc/72/84/93/1037728493.db2.gz QEXYGQVPMKTIAQ-ZBFHGGJFSA-N 2 2 345.437 4.438 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000503572249 1037821686 /nfs/dbraw/zinc/82/16/86/1037821686.db2.gz SLRBROPICRUTPJ-UPEZTMAHSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000503572249 1037821688 /nfs/dbraw/zinc/82/16/88/1037821688.db2.gz SLRBROPICRUTPJ-UPEZTMAHSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000503572249 1037821692 /nfs/dbraw/zinc/82/16/92/1037821692.db2.gz SLRBROPICRUTPJ-UPEZTMAHSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000503572249 1037821694 /nfs/dbraw/zinc/82/16/94/1037821694.db2.gz SLRBROPICRUTPJ-UPEZTMAHSA-N 2 2 338.417 4.135 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422743175 1037821896 /nfs/dbraw/zinc/82/18/96/1037821896.db2.gz RAEQHQRRCWZGKK-MQIPJXDCSA-N 2 2 333.476 4.049 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503592721 1037832384 /nfs/dbraw/zinc/83/23/84/1037832384.db2.gz PFWJETKNRBMNFP-QGZVFWFLSA-N 2 2 328.456 4.282 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503592721 1037832388 /nfs/dbraw/zinc/83/23/88/1037832388.db2.gz PFWJETKNRBMNFP-QGZVFWFLSA-N 2 2 328.456 4.282 20 0 EIADLP Cc1sc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422878694 1037852961 /nfs/dbraw/zinc/85/29/61/1037852961.db2.gz UDQBRSQIERUCRC-GHMZBOCLSA-N 2 2 335.904 4.030 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)c2ccccc21 ZINC000422937484 1037876439 /nfs/dbraw/zinc/87/64/39/1037876439.db2.gz CMXBZUYFXIVGHT-IRXDYDNUSA-N 2 2 343.268 4.173 20 0 EIADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000422972898 1037893689 /nfs/dbraw/zinc/89/36/89/1037893689.db2.gz AVIPPPVXSUCALR-RYGJVYDSSA-N 2 2 339.483 4.129 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000423021336 1037905703 /nfs/dbraw/zinc/90/57/03/1037905703.db2.gz BSQOGMLTEZHZJL-KURKYZTESA-N 2 2 328.843 4.288 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000414720437 1038028310 /nfs/dbraw/zinc/02/83/10/1038028310.db2.gz YLNORVJDASSVMP-IBGZPJMESA-N 2 2 343.902 4.188 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000414720437 1038028329 /nfs/dbraw/zinc/02/83/29/1038028329.db2.gz YLNORVJDASSVMP-IBGZPJMESA-N 2 2 343.902 4.188 20 0 EIADLP Cc1cc([C@@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Cl)c2)c(C)s1 ZINC000423175680 1038030390 /nfs/dbraw/zinc/03/03/90/1038030390.db2.gz AQKQZESZDQJOHM-SFHVURJKSA-N 2 2 334.916 4.449 20 0 EIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000423248960 1038078878 /nfs/dbraw/zinc/07/88/78/1038078878.db2.gz SIBGQLHNSJPKGD-GUYCJALGSA-N 2 2 336.451 4.394 20 0 EIADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)CCC2 ZINC000423248007 1038078959 /nfs/dbraw/zinc/07/89/59/1038078959.db2.gz REUGPRWXWLANAH-DLBZAZTESA-N 2 2 329.513 4.242 20 0 EIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(SCC(F)F)cc1 ZINC000423248961 1038081525 /nfs/dbraw/zinc/08/15/25/1038081525.db2.gz SIBGQLHNSJPKGD-SUMWQHHRSA-N 2 2 336.451 4.394 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423419319 1038210034 /nfs/dbraw/zinc/21/00/34/1038210034.db2.gz VSQMANZTUPIJOP-MRXNPFEDSA-N 2 2 332.451 4.081 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172177 1038370577 /nfs/dbraw/zinc/37/05/77/1038370577.db2.gz LOAPYKZTHGOYCZ-MAUKXSAKSA-N 2 2 347.503 4.235 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172177 1038370592 /nfs/dbraw/zinc/37/05/92/1038370592.db2.gz LOAPYKZTHGOYCZ-MAUKXSAKSA-N 2 2 347.503 4.235 20 0 EIADLP Cc1cccc(C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)c1 ZINC000480787823 1038819121 /nfs/dbraw/zinc/81/91/21/1038819121.db2.gz RSNJBXVUVFAPAT-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119248583 1038881435 /nfs/dbraw/zinc/88/14/35/1038881435.db2.gz SDHUIUYHNQVNGZ-QGZVFWFLSA-N 2 2 335.451 4.430 20 0 EIADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1Cl ZINC000162855960 1038889985 /nfs/dbraw/zinc/88/99/85/1038889985.db2.gz FADOQBQCYKBEHS-AWEZNQCLSA-N 2 2 333.863 4.287 20 0 EIADLP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCn2cc[nH+]c2)c1 ZINC000539359775 1039019794 /nfs/dbraw/zinc/01/97/94/1039019794.db2.gz HMGVDYUWKIDSEX-JOCHJYFZSA-N 2 2 349.478 4.082 20 0 EIADLP CCCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1Cl ZINC000629525073 1039073480 /nfs/dbraw/zinc/07/34/80/1039073480.db2.gz RDBUWIMFMYMQBS-MRXNPFEDSA-N 2 2 345.314 4.322 20 0 EIADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000090417327 1039221446 /nfs/dbraw/zinc/22/14/46/1039221446.db2.gz DRPHZRPSQGGOBB-LSDHHAIUSA-N 2 2 329.513 4.328 20 0 EIADLP CCC[NH+](CCC)CCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000478006808 1039317903 /nfs/dbraw/zinc/31/79/03/1039317903.db2.gz WUIZEPDEMMLCMD-UHFFFAOYSA-N 2 2 342.487 4.226 20 0 EIADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347174 1039456554 /nfs/dbraw/zinc/45/65/54/1039456554.db2.gz HILYAGPYAAWHLF-YTQPIUFNSA-N 2 2 332.919 4.392 20 0 EIADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347174 1039456603 /nfs/dbraw/zinc/45/66/03/1039456603.db2.gz HILYAGPYAAWHLF-YTQPIUFNSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347174 1039456632 /nfs/dbraw/zinc/45/66/32/1039456632.db2.gz HILYAGPYAAWHLF-YTQPIUFNSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001168347174 1039456661 /nfs/dbraw/zinc/45/66/61/1039456661.db2.gz HILYAGPYAAWHLF-YTQPIUFNSA-N 2 2 332.919 4.392 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000414846600 1039571408 /nfs/dbraw/zinc/57/14/08/1039571408.db2.gz NQPJEAJZRQNHIM-HXUWFJFHSA-N 2 2 330.516 4.139 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000555770168 1039613708 /nfs/dbraw/zinc/61/37/08/1039613708.db2.gz AIAYLGVMMJANDK-UHFFFAOYSA-N 2 2 339.870 4.491 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338351 1039614946 /nfs/dbraw/zinc/61/49/46/1039614946.db2.gz GSQXCDLQTAKUPO-QAPCUYQASA-N 2 2 344.886 4.188 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338351 1039614964 /nfs/dbraw/zinc/61/49/64/1039614964.db2.gz GSQXCDLQTAKUPO-QAPCUYQASA-N 2 2 344.886 4.188 20 0 EIADLP c1csc(-c2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)c1 ZINC000093563978 1039716806 /nfs/dbraw/zinc/71/68/06/1039716806.db2.gz UIVMVAZBFMMHHH-HNNXBMFYSA-N 2 2 347.553 4.322 20 0 EIADLP c1csc(-c2ncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)c1 ZINC000093563978 1039716825 /nfs/dbraw/zinc/71/68/25/1039716825.db2.gz UIVMVAZBFMMHHH-HNNXBMFYSA-N 2 2 347.553 4.322 20 0 EIADLP c1ccc(NC2CC[NH+](CCc3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000534860225 1039828519 /nfs/dbraw/zinc/82/85/19/1039828519.db2.gz FUFDTVWIPVOTIJ-UHFFFAOYSA-N 2 2 331.463 4.354 20 0 EIADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861826 1039828798 /nfs/dbraw/zinc/82/87/98/1039828798.db2.gz WNLACPDCXIHXBO-GOSISDBHSA-N 2 2 327.859 4.299 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CCC2 ZINC000551050431 1039909326 /nfs/dbraw/zinc/90/93/26/1039909326.db2.gz IRQJTVSDRVEKBT-MJGOQNOKSA-N 2 2 343.902 4.333 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998807 1039939493 /nfs/dbraw/zinc/93/94/93/1039939493.db2.gz JIXBGOSKATWSSH-PKTZIBPZSA-N 2 2 349.522 4.423 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998807 1039939510 /nfs/dbraw/zinc/93/95/10/1039939510.db2.gz JIXBGOSKATWSSH-PKTZIBPZSA-N 2 2 349.522 4.423 20 0 EIADLP c1cc2cccc(C[NH2+]CC3([NH+]4CCSCC4)CCCCC3)c2[nH]1 ZINC000482018689 1039970306 /nfs/dbraw/zinc/97/03/06/1039970306.db2.gz YBZXTDSEUPFWIH-UHFFFAOYSA-N 2 2 343.540 4.009 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC34CCCC4)C2)CC1 ZINC000551176788 1040022092 /nfs/dbraw/zinc/02/20/92/1040022092.db2.gz FLAGUNJRGBYOMF-OFLPRAFFSA-N 2 2 344.465 4.494 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCC34CCCC4)C2)CC1 ZINC000551176787 1040022827 /nfs/dbraw/zinc/02/28/27/1040022827.db2.gz FLAGUNJRGBYOMF-JCYILVPMSA-N 2 2 344.465 4.494 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433956 1040248868 /nfs/dbraw/zinc/24/88/68/1040248868.db2.gz JUNSIIYEDZOVHN-ICSRJNTNSA-N 2 2 337.511 4.420 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433956 1040248879 /nfs/dbraw/zinc/24/88/79/1040248879.db2.gz JUNSIIYEDZOVHN-ICSRJNTNSA-N 2 2 337.511 4.420 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479331213 1040275199 /nfs/dbraw/zinc/27/51/99/1040275199.db2.gz PDNYGZFRNJKCHN-WBMJQRKESA-N 2 2 348.288 4.046 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497604 1040398802 /nfs/dbraw/zinc/39/88/02/1040398802.db2.gz ILIGGLLFGYPNPH-FOIQADDNSA-N 2 2 348.450 4.148 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497604 1040398820 /nfs/dbraw/zinc/39/88/20/1040398820.db2.gz ILIGGLLFGYPNPH-FOIQADDNSA-N 2 2 348.450 4.148 20 0 EIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)(F)F ZINC000479528040 1040426612 /nfs/dbraw/zinc/42/66/12/1040426612.db2.gz ORXBAMWEQGVHON-WLYUNCDWSA-N 2 2 342.405 4.253 20 0 EIADLP COc1ccc2oc([C@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)c(C)c2c1 ZINC000479518777 1040436095 /nfs/dbraw/zinc/43/60/95/1040436095.db2.gz SEUKBQMJDJDRSH-GTPINHCMSA-N 2 2 342.483 4.417 20 0 EIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)ccc1OC ZINC000479548793 1040453530 /nfs/dbraw/zinc/45/35/30/1040453530.db2.gz DHYNXGXSGHRSMR-LEOMRAHMSA-N 2 2 336.907 4.406 20 0 EIADLP COc1cc(Cl)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000482805451 1040503449 /nfs/dbraw/zinc/50/34/49/1040503449.db2.gz VVDJWFIFVINMGD-UHFFFAOYSA-N 2 2 347.890 4.238 20 0 EIADLP FC(F)(F)c1cccc(Cl)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168357546 1040546269 /nfs/dbraw/zinc/54/62/69/1040546269.db2.gz GKVXGEMVYIIGSW-UHFFFAOYSA-N 2 2 346.824 4.323 20 0 EIADLP Clc1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000551816697 1040625606 /nfs/dbraw/zinc/62/56/06/1040625606.db2.gz DOPFQPOXAHGUJD-UHFFFAOYSA-N 2 2 341.886 4.373 20 0 EIADLP Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539658505 1040656931 /nfs/dbraw/zinc/65/69/31/1040656931.db2.gz AOXGSVFCPCAJLU-IEBWSBKVSA-N 2 2 338.499 4.012 20 0 EIADLP Cc1cccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)c(C)c[nH+]c12 ZINC000462501097 1040688624 /nfs/dbraw/zinc/68/86/24/1040688624.db2.gz MKKQPYJMACEMON-UHFFFAOYSA-N 2 2 342.446 4.130 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000479870926 1040731887 /nfs/dbraw/zinc/73/18/87/1040731887.db2.gz CVDJUVIMVBENGI-JOCHJYFZSA-N 2 2 333.479 4.168 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000479870926 1040731900 /nfs/dbraw/zinc/73/19/00/1040731900.db2.gz CVDJUVIMVBENGI-JOCHJYFZSA-N 2 2 333.479 4.168 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000483141132 1040732427 /nfs/dbraw/zinc/73/24/27/1040732427.db2.gz FZBSQXSGLHQORU-ANTGDGSKSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000483141132 1040732442 /nfs/dbraw/zinc/73/24/42/1040732442.db2.gz FZBSQXSGLHQORU-ANTGDGSKSA-N 2 2 329.532 4.098 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000479887531 1040766242 /nfs/dbraw/zinc/76/62/42/1040766242.db2.gz QROGYYYPLIDOMK-QFIPXVFZSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000479887531 1040766260 /nfs/dbraw/zinc/76/62/60/1040766260.db2.gz QROGYYYPLIDOMK-QFIPXVFZSA-N 2 2 345.490 4.235 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436056109 1040842325 /nfs/dbraw/zinc/84/23/25/1040842325.db2.gz YMIPFNPGQUBLBO-GOSISDBHSA-N 2 2 343.540 4.187 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436056109 1040842326 /nfs/dbraw/zinc/84/23/26/1040842326.db2.gz YMIPFNPGQUBLBO-GOSISDBHSA-N 2 2 343.540 4.187 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc2ccccc12 ZINC000483478406 1040871864 /nfs/dbraw/zinc/87/18/64/1040871864.db2.gz UAVANHZSCMMICR-KXBFYZLASA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc2ccccc12 ZINC000483478406 1040871870 /nfs/dbraw/zinc/87/18/70/1040871870.db2.gz UAVANHZSCMMICR-KXBFYZLASA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478406 1040871876 /nfs/dbraw/zinc/87/18/76/1040871876.db2.gz UAVANHZSCMMICR-KXBFYZLASA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478406 1040871881 /nfs/dbraw/zinc/87/18/81/1040871881.db2.gz UAVANHZSCMMICR-KXBFYZLASA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc2ccccc12 ZINC000483478404 1040873385 /nfs/dbraw/zinc/87/33/85/1040873385.db2.gz UAVANHZSCMMICR-DNVCBOLYSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc2ccccc12 ZINC000483478404 1040873390 /nfs/dbraw/zinc/87/33/90/1040873390.db2.gz UAVANHZSCMMICR-DNVCBOLYSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478404 1040873398 /nfs/dbraw/zinc/87/33/98/1040873398.db2.gz UAVANHZSCMMICR-DNVCBOLYSA-N 2 2 343.902 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc2ccccc12 ZINC000483478404 1040873400 /nfs/dbraw/zinc/87/34/00/1040873400.db2.gz UAVANHZSCMMICR-DNVCBOLYSA-N 2 2 343.902 4.113 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(F)c1 ZINC000483546055 1040889246 /nfs/dbraw/zinc/88/92/46/1040889246.db2.gz REDYCXHSARZEPN-HZPDHXFCSA-N 2 2 339.414 4.130 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851648 1040910397 /nfs/dbraw/zinc/91/03/97/1040910397.db2.gz SXKJQYPRRKARMV-DNVCBOLYSA-N 2 2 343.540 4.403 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000669851648 1040910409 /nfs/dbraw/zinc/91/04/09/1040910409.db2.gz SXKJQYPRRKARMV-DNVCBOLYSA-N 2 2 343.540 4.403 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1F ZINC000483629648 1040923650 /nfs/dbraw/zinc/92/36/50/1040923650.db2.gz VQEQXRYFACTKCJ-HZPDHXFCSA-N 2 2 339.414 4.130 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089327 1040926686 /nfs/dbraw/zinc/92/66/86/1040926686.db2.gz HFZBJLNIILNJHZ-DZGCQCFKSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000462802108 1040966330 /nfs/dbraw/zinc/96/63/30/1040966330.db2.gz LYSUGDCBKBKECE-HOTGVXAUSA-N 2 2 336.483 4.025 20 0 EIADLP CC(C)C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000480139558 1040985931 /nfs/dbraw/zinc/98/59/31/1040985931.db2.gz AOFRZRJXEFQUMO-NRFANRHFSA-N 2 2 325.500 4.281 20 0 EIADLP CC(C)C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000480139558 1040985952 /nfs/dbraw/zinc/98/59/52/1040985952.db2.gz AOFRZRJXEFQUMO-NRFANRHFSA-N 2 2 325.500 4.281 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000462823691 1041006122 /nfs/dbraw/zinc/00/61/22/1041006122.db2.gz WLCOTEHJEJKZBN-KKUMJFAQSA-N 2 2 347.503 4.473 20 0 EIADLP Clc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000538063624 1041034960 /nfs/dbraw/zinc/03/49/60/1041034960.db2.gz VZRKITNIAITDMW-LJQANCHMSA-N 2 2 329.875 4.156 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899272 1041079809 /nfs/dbraw/zinc/07/98/09/1041079809.db2.gz XLEDDHJSCARDBR-LSDHHAIUSA-N 2 2 347.503 4.332 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899272 1041079828 /nfs/dbraw/zinc/07/98/28/1041079828.db2.gz XLEDDHJSCARDBR-LSDHHAIUSA-N 2 2 347.503 4.332 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000484072000 1041108146 /nfs/dbraw/zinc/10/81/46/1041108146.db2.gz SVXMOIHWBXDPFH-LJQANCHMSA-N 2 2 347.462 4.082 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000484072000 1041108161 /nfs/dbraw/zinc/10/81/61/1041108161.db2.gz SVXMOIHWBXDPFH-LJQANCHMSA-N 2 2 347.462 4.082 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000484274639 1041186996 /nfs/dbraw/zinc/18/69/96/1041186996.db2.gz IHEQJHMPUJACSR-CYBMUJFWSA-N 2 2 339.361 4.133 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903895235 1041225433 /nfs/dbraw/zinc/22/54/33/1041225433.db2.gz LSQANXCIDUPYQF-TZMCWYRMSA-N 2 2 339.455 4.094 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903895235 1041225445 /nfs/dbraw/zinc/22/54/45/1041225445.db2.gz LSQANXCIDUPYQF-TZMCWYRMSA-N 2 2 339.455 4.094 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000540186157 1041251782 /nfs/dbraw/zinc/25/17/82/1041251782.db2.gz NCPHDBILSIKZMP-CQSZACIVSA-N 2 2 343.298 4.279 20 0 EIADLP CC(C)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000463079058 1041324022 /nfs/dbraw/zinc/32/40/22/1041324022.db2.gz WPEOPNOETCUAFR-UHFFFAOYSA-N 2 2 328.422 4.316 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720455 1041490993 /nfs/dbraw/zinc/49/09/93/1041490993.db2.gz ZUOKHHBUDKNIRF-HIFRSBDPSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720455 1041490997 /nfs/dbraw/zinc/49/09/97/1041490997.db2.gz ZUOKHHBUDKNIRF-HIFRSBDPSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720455 1041491002 /nfs/dbraw/zinc/49/10/02/1041491002.db2.gz ZUOKHHBUDKNIRF-HIFRSBDPSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720455 1041491007 /nfs/dbraw/zinc/49/10/07/1041491007.db2.gz ZUOKHHBUDKNIRF-HIFRSBDPSA-N 2 2 335.542 4.176 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540753501 1041642533 /nfs/dbraw/zinc/64/25/33/1041642533.db2.gz PSAYINFVZVXMRW-UTKZUKDTSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540753501 1041642536 /nfs/dbraw/zinc/64/25/36/1041642536.db2.gz PSAYINFVZVXMRW-UTKZUKDTSA-N 2 2 338.470 4.458 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)CC1 ZINC000516621586 1041677790 /nfs/dbraw/zinc/67/77/90/1041677790.db2.gz RNOJZOGFVPSXBN-ZSXPUABSSA-N 2 2 330.516 4.005 20 0 EIADLP COc1ccc([C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccc(F)cc2)cc1 ZINC000491330667 1042224254 /nfs/dbraw/zinc/22/42/54/1042224254.db2.gz VAEMNJIJYFZBRN-OAQYLSRUSA-N 2 2 344.474 4.244 20 0 EIADLP COc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccc(F)cc2)cc1 ZINC000491330667 1042224259 /nfs/dbraw/zinc/22/42/59/1042224259.db2.gz VAEMNJIJYFZBRN-OAQYLSRUSA-N 2 2 344.474 4.244 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000439012726 1042467248 /nfs/dbraw/zinc/46/72/48/1042467248.db2.gz TZLGLDQTLVMQQO-FQEVSTJZSA-N 2 2 340.442 4.450 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000426349440 1042581898 /nfs/dbraw/zinc/58/18/98/1042581898.db2.gz DWKURLTYAYGGGB-MAUKXSAKSA-N 2 2 333.520 4.068 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000506688203 1042777850 /nfs/dbraw/zinc/77/78/50/1042777850.db2.gz HWMYBNGVMOXDLH-UHFFFAOYSA-N 2 2 348.437 4.357 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000506688203 1042777858 /nfs/dbraw/zinc/77/78/58/1042777858.db2.gz HWMYBNGVMOXDLH-UHFFFAOYSA-N 2 2 348.437 4.357 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000310364085 1042834776 /nfs/dbraw/zinc/83/47/76/1042834776.db2.gz LLDBQDNZTRHRSF-ZWKOTPCHSA-N 2 2 335.451 4.201 20 0 EIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178254894 1042861995 /nfs/dbraw/zinc/86/19/95/1042861995.db2.gz WMEOUBJFUJVOGS-AWEZNQCLSA-N 2 2 336.907 4.264 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278731 1042891578 /nfs/dbraw/zinc/89/15/78/1042891578.db2.gz VKLLLNWGLQMDIF-URLQWDBASA-N 2 2 347.503 4.406 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278731 1042891580 /nfs/dbraw/zinc/89/15/80/1042891580.db2.gz VKLLLNWGLQMDIF-URLQWDBASA-N 2 2 347.503 4.406 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168008712 1043077305 /nfs/dbraw/zinc/07/73/05/1043077305.db2.gz FVQUSOPOXFIIHG-QRVBRYPASA-N 2 2 337.511 4.482 20 0 EIADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2F)CC1 ZINC000184662201 1043121889 /nfs/dbraw/zinc/12/18/89/1043121889.db2.gz GKFMNWRIDFVPNH-CQSZACIVSA-N 2 2 342.886 4.019 20 0 EIADLP Cc1ccc(COc2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000507985491 1043216893 /nfs/dbraw/zinc/21/68/93/1043216893.db2.gz OWQRACZUAZKEIO-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cs1 ZINC000427846501 1043223934 /nfs/dbraw/zinc/22/39/34/1043223934.db2.gz SIKABSKWKSZHSL-SMDDNHRTSA-N 2 2 344.509 4.042 20 0 EIADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427855590 1043228716 /nfs/dbraw/zinc/22/87/16/1043228716.db2.gz LGEKCCNKRLPWQA-QZTJIDSGSA-N 2 2 331.891 4.098 20 0 EIADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427855591 1043229268 /nfs/dbraw/zinc/22/92/68/1043229268.db2.gz LGEKCCNKRLPWQA-ROUUACIJSA-N 2 2 331.891 4.098 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000427876581 1043235412 /nfs/dbraw/zinc/23/54/12/1043235412.db2.gz VZHXGDARVVZOKT-HIFRSBDPSA-N 2 2 333.888 4.068 20 0 EIADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(C)cc2)cc1 ZINC000427879116 1043235669 /nfs/dbraw/zinc/23/56/69/1043235669.db2.gz BMIPZURPIJXLGW-VXKWHMMOSA-N 2 2 345.490 4.388 20 0 EIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427859694 1043236565 /nfs/dbraw/zinc/23/65/65/1043236565.db2.gz OZKCKFZZBXREFR-LSDHHAIUSA-N 2 2 335.904 4.012 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](CCc1ccccc1)Cc1ccccc1)CC2 ZINC000427871609 1043241264 /nfs/dbraw/zinc/24/12/64/1043241264.db2.gz LEFAREZLRUFHDJ-FGZHOGPDSA-N 2 2 345.490 4.032 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000186113270 1043246782 /nfs/dbraw/zinc/24/67/82/1043246782.db2.gz HZODEEIWSSGXMB-INIZCTEOSA-N 2 2 344.524 4.380 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC3(CCCCC3)Oc3ccccc31)CC2 ZINC000427893854 1043255129 /nfs/dbraw/zinc/25/51/29/1043255129.db2.gz JSNWEZOBTIWQMI-AEFFLSMTSA-N 2 2 337.467 4.014 20 0 EIADLP Cc1ccc([C@H]2CCCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347878958 1043313671 /nfs/dbraw/zinc/31/36/71/1043313671.db2.gz MLMIBXWMHXUOCG-GOSISDBHSA-N 2 2 329.513 4.240 20 0 EIADLP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347878958 1043313678 /nfs/dbraw/zinc/31/36/78/1043313678.db2.gz MLMIBXWMHXUOCG-GOSISDBHSA-N 2 2 329.513 4.240 20 0 EIADLP CCCC[N@H+](C)CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012144 1043417265 /nfs/dbraw/zinc/41/72/65/1043417265.db2.gz WWWWPYMMZRNMTK-PMACEKPBSA-N 3 2 345.575 4.140 20 0 EIADLP CCCC[N@@H+](C)CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012144 1043417275 /nfs/dbraw/zinc/41/72/75/1043417275.db2.gz WWWWPYMMZRNMTK-PMACEKPBSA-N 3 2 345.575 4.140 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000165991878 1043429786 /nfs/dbraw/zinc/42/97/86/1043429786.db2.gz QHZHLILGRDTNRI-HKUYNNGSSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1sccc1C)c1ccccc1 ZINC000165991878 1043429794 /nfs/dbraw/zinc/42/97/94/1043429794.db2.gz QHZHLILGRDTNRI-HKUYNNGSSA-N 2 2 346.540 4.417 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000494355144 1043432242 /nfs/dbraw/zinc/43/22/42/1043432242.db2.gz ATNRXEWWPFGRQO-HNNXBMFYSA-N 2 2 349.569 4.159 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000494355144 1043432252 /nfs/dbraw/zinc/43/22/52/1043432252.db2.gz ATNRXEWWPFGRQO-HNNXBMFYSA-N 2 2 349.569 4.159 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007851 1043493026 /nfs/dbraw/zinc/49/30/26/1043493026.db2.gz OROPCPLEIOLYDB-DYESRHJHSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000166007851 1043493040 /nfs/dbraw/zinc/49/30/40/1043493040.db2.gz OROPCPLEIOLYDB-DYESRHJHSA-N 2 2 344.474 4.186 20 0 EIADLP Cc1nc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000189947641 1043661408 /nfs/dbraw/zinc/66/14/08/1043661408.db2.gz XLLQOSYRHOCZQM-GJZGRUSLSA-N 2 2 343.540 4.006 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000442631803 1043784820 /nfs/dbraw/zinc/78/48/20/1043784820.db2.gz WGQKWPNQXMROSY-DOTOQJQBSA-N 2 2 337.389 4.218 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1csc(Cl)c1 ZINC000191163036 1043789287 /nfs/dbraw/zinc/78/92/87/1043789287.db2.gz RVFOBFBDFHLSCL-CYBMUJFWSA-N 2 2 331.872 4.497 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442711994 1043814987 /nfs/dbraw/zinc/81/49/87/1043814987.db2.gz TZOXRPXOOZISIL-UNEWFSDZSA-N 2 2 337.389 4.216 20 0 EIADLP C[N@H+](CCc1cccc(F)c1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543140452 1043962351 /nfs/dbraw/zinc/96/23/51/1043962351.db2.gz MFSMEWKPPCOTPD-UHFFFAOYSA-N 2 2 344.449 4.104 20 0 EIADLP C[N@@H+](CCc1cccc(F)c1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543140452 1043962355 /nfs/dbraw/zinc/96/23/55/1043962355.db2.gz MFSMEWKPPCOTPD-UHFFFAOYSA-N 2 2 344.449 4.104 20 0 EIADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000347949185 1044335925 /nfs/dbraw/zinc/33/59/25/1044335925.db2.gz HASVIJDTIRLNOS-NRFANRHFSA-N 2 2 333.435 4.048 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042469 1044371073 /nfs/dbraw/zinc/37/10/73/1044371073.db2.gz NICWSZJSNNXFME-JQHSSLGASA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042469 1044371089 /nfs/dbraw/zinc/37/10/89/1044371089.db2.gz NICWSZJSNNXFME-JQHSSLGASA-N 2 2 329.513 4.094 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000348087379 1044389637 /nfs/dbraw/zinc/38/96/37/1044389637.db2.gz WQQCZDVNPVBADI-UHFFFAOYSA-N 2 2 326.271 4.411 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000348087379 1044389658 /nfs/dbraw/zinc/38/96/58/1044389658.db2.gz WQQCZDVNPVBADI-UHFFFAOYSA-N 2 2 326.271 4.411 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675809785 1044509717 /nfs/dbraw/zinc/50/97/17/1044509717.db2.gz MMYLJFZFSWNUDO-UWWQBHOKSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675809785 1044509728 /nfs/dbraw/zinc/50/97/28/1044509728.db2.gz MMYLJFZFSWNUDO-UWWQBHOKSA-N 2 2 329.513 4.013 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000494931175 1044514617 /nfs/dbraw/zinc/51/46/17/1044514617.db2.gz QKXMTXPBWQNMLC-HUOGQDQXSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000494931175 1044514634 /nfs/dbraw/zinc/51/46/34/1044514634.db2.gz QKXMTXPBWQNMLC-HUOGQDQXSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931175 1044514652 /nfs/dbraw/zinc/51/46/52/1044514652.db2.gz QKXMTXPBWQNMLC-HUOGQDQXSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931175 1044514672 /nfs/dbraw/zinc/51/46/72/1044514672.db2.gz QKXMTXPBWQNMLC-HUOGQDQXSA-N 2 2 335.495 4.080 20 0 EIADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919853 1044559357 /nfs/dbraw/zinc/55/93/57/1044559357.db2.gz JFZLLWWUJVRVAA-WIYYLYMNSA-N 2 2 333.479 4.233 20 0 EIADLP CSCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000922335854 1044562154 /nfs/dbraw/zinc/56/21/54/1044562154.db2.gz PUCYSUAMOFEAPA-HXUWFJFHSA-N 2 2 337.492 4.277 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675921046 1044563674 /nfs/dbraw/zinc/56/36/74/1044563674.db2.gz LIVVPPJKNKOFCC-WBVHZDCISA-N 2 2 325.481 4.425 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000675923057 1044566190 /nfs/dbraw/zinc/56/61/90/1044566190.db2.gz RGWKDWXGLVZMFC-WOJBJXKFSA-N 2 2 335.426 4.120 20 0 EIADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923904 1044567753 /nfs/dbraw/zinc/56/77/53/1044567753.db2.gz VGAPCUBXANJOOD-RTWAWAEBSA-N 2 2 331.463 4.289 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000191482300 1044621894 /nfs/dbraw/zinc/62/18/94/1044621894.db2.gz HXXVJXMVHAHJHN-UHFFFAOYSA-N 2 2 334.533 4.112 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000191482300 1044621911 /nfs/dbraw/zinc/62/19/11/1044621911.db2.gz HXXVJXMVHAHJHN-UHFFFAOYSA-N 2 2 334.533 4.112 20 0 EIADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766213565 1044791621 /nfs/dbraw/zinc/79/16/21/1044791621.db2.gz GWMWMTSYZXYWMG-JXFKEZNVSA-N 2 2 329.532 4.136 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766216645 1044919268 /nfs/dbraw/zinc/91/92/68/1044919268.db2.gz QIFRNMNKEDZGCW-UWJYYQICSA-N 2 2 326.459 4.134 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766216645 1044919291 /nfs/dbraw/zinc/91/92/91/1044919291.db2.gz QIFRNMNKEDZGCW-UWJYYQICSA-N 2 2 326.459 4.134 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000390577820 1044954813 /nfs/dbraw/zinc/95/48/13/1044954813.db2.gz DEQWIAPFUMJCPU-SFTDATJTSA-N 2 2 349.522 4.349 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000390577820 1044954828 /nfs/dbraw/zinc/95/48/28/1044954828.db2.gz DEQWIAPFUMJCPU-SFTDATJTSA-N 2 2 349.522 4.349 20 0 EIADLP Clc1ccc(CCCC[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000474459400 1045001585 /nfs/dbraw/zinc/00/15/85/1045001585.db2.gz KGYCJYVWNFXZET-UHFFFAOYSA-N 2 2 326.271 4.193 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000673626675 1045046752 /nfs/dbraw/zinc/04/67/52/1045046752.db2.gz BQYLHFUBRFRVOB-LIRRHRJNSA-N 2 2 341.405 4.333 20 0 EIADLP Clc1cccc2c1SCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361925189 1045168190 /nfs/dbraw/zinc/16/81/90/1045168190.db2.gz HXJYOHYRBXFESX-OAHLLOKOSA-N 2 2 333.888 4.364 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000495658874 1045272195 /nfs/dbraw/zinc/27/21/95/1045272195.db2.gz SFJRBFXIEJQNBF-QGZVFWFLSA-N 2 2 326.459 4.449 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000236603113 1045360510 /nfs/dbraw/zinc/36/05/10/1045360510.db2.gz SOFQWOGBLALKFM-UHFFFAOYSA-N 2 2 330.447 4.357 20 0 EIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237534207 1045388366 /nfs/dbraw/zinc/38/83/66/1045388366.db2.gz SMSXCKOGNQCMOT-INIZCTEOSA-N 2 2 335.451 4.456 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000237585294 1045389336 /nfs/dbraw/zinc/38/93/36/1045389336.db2.gz AYSHNYURUBLETF-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CC[C@H](C)C2)CC3)cs1 ZINC001170139369 1045525269 /nfs/dbraw/zinc/52/52/69/1045525269.db2.gz URSYXSAQGUOTSQ-YJBOKZPZSA-N 2 2 333.545 4.071 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CC[C@H](C)C2)CC3)cs1 ZINC001170139369 1045525277 /nfs/dbraw/zinc/52/52/77/1045525277.db2.gz URSYXSAQGUOTSQ-YJBOKZPZSA-N 2 2 333.545 4.071 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248558162 1045870527 /nfs/dbraw/zinc/87/05/27/1045870527.db2.gz LQHVYDXNLADJGO-PGRDOPGGSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248558162 1045870529 /nfs/dbraw/zinc/87/05/29/1045870529.db2.gz LQHVYDXNLADJGO-PGRDOPGGSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248558162 1045870542 /nfs/dbraw/zinc/87/05/42/1045870542.db2.gz LQHVYDXNLADJGO-PGRDOPGGSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248558162 1045870545 /nfs/dbraw/zinc/87/05/45/1045870545.db2.gz LQHVYDXNLADJGO-PGRDOPGGSA-N 2 2 337.511 4.183 20 0 EIADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCCCC2 ZINC001170005445 1045912019 /nfs/dbraw/zinc/91/20/19/1045912019.db2.gz WTFUPYHAMGDNIA-PMACEKPBSA-N 2 2 339.483 4.090 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170262479 1045959545 /nfs/dbraw/zinc/95/95/45/1045959545.db2.gz AHLNWCUJPSLUCW-SZMVWBNQSA-N 2 2 343.902 4.443 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001170295568 1045979003 /nfs/dbraw/zinc/97/90/03/1045979003.db2.gz VKVCISCXFBPURS-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP C[C@H](Cc1ccccc1Cl)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001170295569 1045980480 /nfs/dbraw/zinc/98/04/80/1045980480.db2.gz VKVCISCXFBPURS-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000769868926 1046098802 /nfs/dbraw/zinc/09/88/02/1046098802.db2.gz AZIISKXPGCQTAZ-HNNXBMFYSA-N 2 2 333.520 4.241 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000769871916 1046099551 /nfs/dbraw/zinc/09/95/51/1046099551.db2.gz DAOIQLQPGIKADC-MRXNPFEDSA-N 2 2 341.499 4.169 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000769875271 1046101744 /nfs/dbraw/zinc/10/17/44/1046101744.db2.gz OSUGVTOBJGNTFE-OHNRDTAOSA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000769875271 1046101750 /nfs/dbraw/zinc/10/17/50/1046101750.db2.gz OSUGVTOBJGNTFE-OHNRDTAOSA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000769878840 1046104407 /nfs/dbraw/zinc/10/44/07/1046104407.db2.gz YPCJAWCUDQGALK-HZPDHXFCSA-N 2 2 341.499 4.422 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cn1 ZINC000763396392 1046127646 /nfs/dbraw/zinc/12/76/46/1046127646.db2.gz STDUHUDAXCVUJX-GOSISDBHSA-N 2 2 338.842 4.006 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649395 1046152232 /nfs/dbraw/zinc/15/22/32/1046152232.db2.gz WHLOMIRQZIBITL-GHMZBOCLSA-N 2 2 331.262 4.267 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649395 1046152238 /nfs/dbraw/zinc/15/22/38/1046152238.db2.gz WHLOMIRQZIBITL-GHMZBOCLSA-N 2 2 331.262 4.267 20 0 EIADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000062254279 1046184726 /nfs/dbraw/zinc/18/47/26/1046184726.db2.gz ICWNDTYQBDFYSE-INIZCTEOSA-N 2 2 325.481 4.346 20 0 EIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124343065 1046235166 /nfs/dbraw/zinc/23/51/66/1046235166.db2.gz FAVWZQIYMFUIME-SFHVURJKSA-N 2 2 337.511 4.396 20 0 EIADLP CCC[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680319 1046275023 /nfs/dbraw/zinc/27/50/23/1046275023.db2.gz UZXDRDUSTFLBHO-AZUAARDMSA-N 2 2 325.500 4.259 20 0 EIADLP CCC[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000508680319 1046275038 /nfs/dbraw/zinc/27/50/38/1046275038.db2.gz UZXDRDUSTFLBHO-AZUAARDMSA-N 2 2 325.500 4.259 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000793530856 1046297397 /nfs/dbraw/zinc/29/73/97/1046297397.db2.gz YSVBKFFWSXHHIH-NPFVIJTESA-N 2 2 347.462 4.163 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126667876 1046511847 /nfs/dbraw/zinc/51/18/47/1046511847.db2.gz FCNJIUCDQWMWQU-GFCCVEGCSA-N 2 2 343.284 4.113 20 0 EIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660451 1046621409 /nfs/dbraw/zinc/62/14/09/1046621409.db2.gz JLHURVKJVFWVNR-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660451 1046621423 /nfs/dbraw/zinc/62/14/23/1046621423.db2.gz JLHURVKJVFWVNR-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660451 1046621433 /nfs/dbraw/zinc/62/14/33/1046621433.db2.gz JLHURVKJVFWVNR-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC(C)C ZINC000536660451 1046621445 /nfs/dbraw/zinc/62/14/45/1046621445.db2.gz JLHURVKJVFWVNR-IEBWSBKVSA-N 2 2 348.531 4.035 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660616 1046623258 /nfs/dbraw/zinc/62/32/58/1046623258.db2.gz DUIXFDQMKJFQFW-IUODEOHRSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660616 1046623275 /nfs/dbraw/zinc/62/32/75/1046623275.db2.gz DUIXFDQMKJFQFW-IUODEOHRSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660616 1046623286 /nfs/dbraw/zinc/62/32/86/1046623286.db2.gz DUIXFDQMKJFQFW-IUODEOHRSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660616 1046623296 /nfs/dbraw/zinc/62/32/96/1046623296.db2.gz DUIXFDQMKJFQFW-IUODEOHRSA-N 2 2 346.849 4.246 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CC1(C)C ZINC000785497561 1046698563 /nfs/dbraw/zinc/69/85/63/1046698563.db2.gz SHSFEMITMMVZQS-OXQOHEQNSA-N 2 2 329.532 4.311 20 0 EIADLP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(Cl)c1 ZINC000459473675 1046718515 /nfs/dbraw/zinc/71/85/15/1046718515.db2.gz XAZGKHGVXSVBDD-UHFFFAOYSA-N 2 2 338.829 4.278 20 0 EIADLP C[NH+]1CCC2(CCCN(c3cc[nH+]c4c(Cl)cccc34)C2)CC1 ZINC000804684311 1046746871 /nfs/dbraw/zinc/74/68/71/1046746871.db2.gz YVTRISNVXSTVJL-UHFFFAOYSA-N 2 2 329.875 4.200 20 0 EIADLP C[C@H]([NH2+]CCOc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536828038 1046800218 /nfs/dbraw/zinc/80/02/18/1046800218.db2.gz TYNSKQWVKPGIJO-HNNXBMFYSA-N 2 2 341.842 4.255 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(C)cc2)cc1 ZINC000536832012 1046809691 /nfs/dbraw/zinc/80/96/91/1046809691.db2.gz JVCPZFDKUGILSO-UCNVEGJOSA-N 2 2 338.495 4.165 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(C)cc2)cc1 ZINC000536832012 1046809695 /nfs/dbraw/zinc/80/96/95/1046809695.db2.gz JVCPZFDKUGILSO-UCNVEGJOSA-N 2 2 338.495 4.165 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nc2c(s1)CCC2 ZINC000459647045 1046833874 /nfs/dbraw/zinc/83/38/74/1046833874.db2.gz JRVUVNVCSYKTFH-VYDXJSESSA-N 2 2 347.572 4.326 20 0 EIADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536870159 1046834533 /nfs/dbraw/zinc/83/45/33/1046834533.db2.gz MYQKOVBOPHTZSQ-DLBZAZTESA-N 2 2 335.451 4.163 20 0 EIADLP C[C@@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[N@H+](C)Cc1ccccc1 ZINC000788612644 1047248296 /nfs/dbraw/zinc/24/82/96/1047248296.db2.gz QFEVZPHMDPHDEC-MAUKXSAKSA-N 2 2 343.902 4.223 20 0 EIADLP C[C@@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[N@@H+](C)Cc1ccccc1 ZINC000788612644 1047248318 /nfs/dbraw/zinc/24/83/18/1047248318.db2.gz QFEVZPHMDPHDEC-MAUKXSAKSA-N 2 2 343.902 4.223 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000129255164 1047339615 /nfs/dbraw/zinc/33/96/15/1047339615.db2.gz HNSRNTDJLPNYQJ-IAGOWNOFSA-N 2 2 337.389 4.142 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129263060 1047342253 /nfs/dbraw/zinc/34/22/53/1047342253.db2.gz OHZRMTVVNBXKQD-IRXDYDNUSA-N 2 2 337.389 4.142 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556064304 1047429318 /nfs/dbraw/zinc/42/93/18/1047429318.db2.gz WKPYHWVYEBJPMJ-RTBURBONSA-N 2 2 344.886 4.274 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556064304 1047429324 /nfs/dbraw/zinc/42/93/24/1047429324.db2.gz WKPYHWVYEBJPMJ-RTBURBONSA-N 2 2 344.886 4.274 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000556236315 1047602047 /nfs/dbraw/zinc/60/20/47/1047602047.db2.gz QDCHYVBMDQTASQ-ZWKOTPCHSA-N 2 2 348.494 4.211 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681079 1047813936 /nfs/dbraw/zinc/81/39/36/1047813936.db2.gz UCEXDJJRBNXPSP-NHCUHLMSSA-N 2 2 338.495 4.319 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681079 1047813937 /nfs/dbraw/zinc/81/39/37/1047813937.db2.gz UCEXDJJRBNXPSP-NHCUHLMSSA-N 2 2 338.495 4.319 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864820 1047861215 /nfs/dbraw/zinc/86/12/15/1047861215.db2.gz IIPNFFMYPQDJQD-OAHLLOKOSA-N 2 2 341.842 4.178 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864820 1047861216 /nfs/dbraw/zinc/86/12/16/1047861216.db2.gz IIPNFFMYPQDJQD-OAHLLOKOSA-N 2 2 341.842 4.178 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171073949 1048044119 /nfs/dbraw/zinc/04/41/19/1048044119.db2.gz YDAXNXOQHUTXJJ-CABCVRRESA-N 2 2 339.310 4.067 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171073949 1048044124 /nfs/dbraw/zinc/04/41/24/1048044124.db2.gz YDAXNXOQHUTXJJ-CABCVRRESA-N 2 2 339.310 4.067 20 0 EIADLP CC[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143807939 1048203069 /nfs/dbraw/zinc/20/30/69/1048203069.db2.gz QXNZAINJQZHLDU-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143807939 1048203087 /nfs/dbraw/zinc/20/30/87/1048203087.db2.gz QXNZAINJQZHLDU-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccn1 ZINC000132130968 1048210202 /nfs/dbraw/zinc/21/02/02/1048210202.db2.gz UNKFRLJWKPXYSB-OAQYLSRUSA-N 2 2 348.494 4.246 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1SC(C)(C)C ZINC000815618118 1048543874 /nfs/dbraw/zinc/54/38/74/1048543874.db2.gz FLTYPUXUTXMKPY-GJZGRUSLSA-N 2 2 329.513 4.439 20 0 EIADLP CCCCCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000810171888 1048653596 /nfs/dbraw/zinc/65/35/96/1048653596.db2.gz XWGAFZYQSYXBQE-KRWDZBQOSA-N 2 2 327.472 4.016 20 0 EIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1CCCCC2 ZINC001146995301 1049076292 /nfs/dbraw/zinc/07/62/92/1049076292.db2.gz ISXNJOVGSCJJQH-UHFFFAOYSA-N 2 2 346.434 4.097 20 0 EIADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000811826428 1049301081 /nfs/dbraw/zinc/30/10/81/1049301081.db2.gz ZGFOYVZUUOCTAT-UHFFFAOYSA-N 2 2 349.825 4.389 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)cc(F)c3C2)c1 ZINC001170680874 1049514656 /nfs/dbraw/zinc/51/46/56/1049514656.db2.gz LVFXATDCMHXMIP-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000773091367 1049576152 /nfs/dbraw/zinc/57/61/52/1049576152.db2.gz WNUUDVOHCYEGEB-VGOFRKELSA-N 2 2 335.495 4.193 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000812835360 1049603788 /nfs/dbraw/zinc/60/37/88/1049603788.db2.gz QNZWJSKQQPRDJR-FCHUYYIVSA-N 2 2 341.543 4.280 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852296 1049613564 /nfs/dbraw/zinc/61/35/64/1049613564.db2.gz XLARUQYHKPANEN-XMSQKQJNSA-N 2 2 349.478 4.125 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852296 1049613572 /nfs/dbraw/zinc/61/35/72/1049613572.db2.gz XLARUQYHKPANEN-XMSQKQJNSA-N 2 2 349.478 4.125 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171473826 1049728332 /nfs/dbraw/zinc/72/83/32/1049728332.db2.gz RGIUPHLYMURWEF-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCOc3c(F)cc(F)cc32)CC1(C)C ZINC001171631067 1049761784 /nfs/dbraw/zinc/76/17/84/1049761784.db2.gz VUBPAGWWQMDOBE-INIZCTEOSA-N 2 2 338.442 4.029 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)c(F)cc2Cl)CC1(C)C ZINC001171622147 1049766290 /nfs/dbraw/zinc/76/62/90/1049766290.db2.gz VSCNTJIXFRCOLG-UHFFFAOYSA-N 2 2 330.850 4.359 20 0 EIADLP COc1cccc(OC)c1[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623552 1049768366 /nfs/dbraw/zinc/76/83/66/1049768366.db2.gz BTIWXLYSCSRECT-AWEZNQCLSA-N 2 2 334.504 4.006 20 0 EIADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171783141 1049803826 /nfs/dbraw/zinc/80/38/26/1049803826.db2.gz KXEUMZWBVGQTTE-AJSBUHFISA-N 2 2 346.449 4.324 20 0 EIADLP Cc1ncccc1C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088737 1049849129 /nfs/dbraw/zinc/84/91/29/1049849129.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088737 1049849130 /nfs/dbraw/zinc/84/91/30/1049849130.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088737 1049849131 /nfs/dbraw/zinc/84/91/31/1049849131.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ncccc1C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088737 1049849134 /nfs/dbraw/zinc/84/91/34/1049849134.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 2 2 349.522 4.408 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000823684170 1049868426 /nfs/dbraw/zinc/86/84/26/1049868426.db2.gz SKKSHMDMLSZHPP-KVZIAJEVSA-N 2 2 333.520 4.158 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172567074 1049937131 /nfs/dbraw/zinc/93/71/31/1049937131.db2.gz CEGBHKAEBOFYJI-TZMCWYRMSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172567074 1049937134 /nfs/dbraw/zinc/93/71/34/1049937134.db2.gz CEGBHKAEBOFYJI-TZMCWYRMSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172573324 1049940505 /nfs/dbraw/zinc/94/05/05/1049940505.db2.gz OXFLOMHXQPHCDS-JSGCOSHPSA-N 2 2 342.861 4.156 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172573324 1049940510 /nfs/dbraw/zinc/94/05/10/1049940510.db2.gz OXFLOMHXQPHCDS-JSGCOSHPSA-N 2 2 342.861 4.156 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576360 1049942861 /nfs/dbraw/zinc/94/28/61/1049942861.db2.gz CWVIGWZKOHNGIG-CYBMUJFWSA-N 2 2 341.833 4.158 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576360 1049942864 /nfs/dbraw/zinc/94/28/64/1049942864.db2.gz CWVIGWZKOHNGIG-CYBMUJFWSA-N 2 2 341.833 4.158 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172584332 1049952973 /nfs/dbraw/zinc/95/29/73/1049952973.db2.gz NCPSBEOWQSICTD-ZDUSSCGKSA-N 2 2 342.861 4.109 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1 ZINC000246931590 1050006764 /nfs/dbraw/zinc/00/67/64/1050006764.db2.gz NGYHKTWMMOXCAA-HKUYNNGSSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1 ZINC000246931590 1050006769 /nfs/dbraw/zinc/00/67/69/1050006769.db2.gz NGYHKTWMMOXCAA-HKUYNNGSSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246931590 1050006771 /nfs/dbraw/zinc/00/67/71/1050006771.db2.gz NGYHKTWMMOXCAA-HKUYNNGSSA-N 2 2 341.524 4.035 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1 ZINC000246931590 1050006772 /nfs/dbraw/zinc/00/67/72/1050006772.db2.gz NGYHKTWMMOXCAA-HKUYNNGSSA-N 2 2 341.524 4.035 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000247060236 1050012498 /nfs/dbraw/zinc/01/24/98/1050012498.db2.gz MNUWJCRYMRCFJY-AZUAARDMSA-N 2 2 329.532 4.098 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000247060236 1050012499 /nfs/dbraw/zinc/01/24/99/1050012499.db2.gz MNUWJCRYMRCFJY-AZUAARDMSA-N 2 2 329.532 4.098 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247114652 1050013113 /nfs/dbraw/zinc/01/31/13/1050013113.db2.gz QVDJXEVDCKRJMK-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247114652 1050013115 /nfs/dbraw/zinc/01/31/15/1050013115.db2.gz QVDJXEVDCKRJMK-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000249501819 1050099869 /nfs/dbraw/zinc/09/98/69/1050099869.db2.gz XLLQOSYRHOCZQM-QVDMIQRCSA-N 2 2 343.540 4.006 20 0 EIADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000249501819 1050099874 /nfs/dbraw/zinc/09/98/74/1050099874.db2.gz XLLQOSYRHOCZQM-QVDMIQRCSA-N 2 2 343.540 4.006 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001177231114 1050168490 /nfs/dbraw/zinc/16/84/90/1050168490.db2.gz AXTYNXJLDFTDFD-ZDUSSCGKSA-N 2 2 331.872 4.443 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172857923 1050194448 /nfs/dbraw/zinc/19/44/48/1050194448.db2.gz IPKDKJQVVHNKLB-BBRMVZONSA-N 2 2 326.887 4.120 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172857923 1050194452 /nfs/dbraw/zinc/19/44/52/1050194452.db2.gz IPKDKJQVVHNKLB-BBRMVZONSA-N 2 2 326.887 4.120 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667842 1050201037 /nfs/dbraw/zinc/20/10/37/1050201037.db2.gz WHFRBBYBBHCZOH-IIMDRIAPSA-N 2 2 329.532 4.411 20 0 EIADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001177441798 1050220572 /nfs/dbraw/zinc/22/05/72/1050220572.db2.gz IFHDVALLJUBZOC-VSKRKVRLSA-N 2 2 344.543 4.397 20 0 EIADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001177442847 1050223153 /nfs/dbraw/zinc/22/31/53/1050223153.db2.gz WSWSVLHVMLOBRA-CEMLEFRQSA-N 2 2 344.543 4.254 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172884647 1050226122 /nfs/dbraw/zinc/22/61/22/1050226122.db2.gz FJCFDUWUTRGJRT-AWEZNQCLSA-N 2 2 326.937 4.237 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172884647 1050226136 /nfs/dbraw/zinc/22/61/36/1050226136.db2.gz FJCFDUWUTRGJRT-AWEZNQCLSA-N 2 2 326.937 4.237 20 0 EIADLP C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001177703138 1050284114 /nfs/dbraw/zinc/28/41/14/1050284114.db2.gz YHPNZXIDXBNYCT-HKUYNNGSSA-N 2 2 349.950 4.020 20 0 EIADLP c1cn(-c2csc(C[NH2+]CCc3cccc4ccccc43)c2)c[nH+]1 ZINC001177769876 1050295976 /nfs/dbraw/zinc/29/59/76/1050295976.db2.gz SASYMHQHHAWEBQ-UHFFFAOYSA-N 2 2 333.460 4.419 20 0 EIADLP CCc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(CC)[nH+]1 ZINC001186381226 1050315298 /nfs/dbraw/zinc/31/52/98/1050315298.db2.gz RZPMNXYSOICBFP-YWZLYKJASA-N 2 2 326.488 4.013 20 0 EIADLP CCc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(CC)[nH+]1 ZINC001186381224 1050316110 /nfs/dbraw/zinc/31/61/10/1050316110.db2.gz RZPMNXYSOICBFP-QRWLVFNGSA-N 2 2 326.488 4.013 20 0 EIADLP CCc1cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)nc(CC)[nH+]1 ZINC001186517903 1050350224 /nfs/dbraw/zinc/35/02/24/1050350224.db2.gz NFXCAQBZBQXPHV-UHFFFAOYSA-N 2 2 338.499 4.068 20 0 EIADLP CCc1cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)nc(CC)[nH+]1 ZINC001186517903 1050350241 /nfs/dbraw/zinc/35/02/41/1050350241.db2.gz NFXCAQBZBQXPHV-UHFFFAOYSA-N 2 2 338.499 4.068 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001173263849 1050388439 /nfs/dbraw/zinc/38/84/39/1050388439.db2.gz XAUAEHVGKWWTOD-HBMCJLEFSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001173263849 1050388445 /nfs/dbraw/zinc/38/84/45/1050388445.db2.gz XAUAEHVGKWWTOD-HBMCJLEFSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001173263849 1050388458 /nfs/dbraw/zinc/38/84/58/1050388458.db2.gz XAUAEHVGKWWTOD-HBMCJLEFSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001173263849 1050388470 /nfs/dbraw/zinc/38/84/70/1050388470.db2.gz XAUAEHVGKWWTOD-HBMCJLEFSA-N 2 2 329.532 4.050 20 0 EIADLP CC(C)c1cc(NCC2CC[NH+](CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001187162368 1050484821 /nfs/dbraw/zinc/48/48/21/1050484821.db2.gz QAAVCRJAZORSFE-UHFFFAOYSA-N 2 2 330.520 4.257 20 0 EIADLP c1cn2cc(C[NH2+]C3CCC4(CCc5ccccc54)CC3)ccc2[nH+]1 ZINC001173686452 1050537797 /nfs/dbraw/zinc/53/77/97/1050537797.db2.gz QQMYRBJHVZGXCE-UHFFFAOYSA-N 2 2 331.463 4.251 20 0 EIADLP CC[N@@H+](Cc1ccc(C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564638 1050635032 /nfs/dbraw/zinc/63/50/32/1050635032.db2.gz FPDDSWDZTNDGCL-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP CC[N@H+](Cc1ccc(C)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564638 1050635040 /nfs/dbraw/zinc/63/50/40/1050635040.db2.gz FPDDSWDZTNDGCL-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660094 1050653441 /nfs/dbraw/zinc/65/34/41/1050653441.db2.gz QEQJLZJQEJUBRF-AWEZNQCLSA-N 2 2 335.542 4.178 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660094 1050653453 /nfs/dbraw/zinc/65/34/53/1050653453.db2.gz QEQJLZJQEJUBRF-AWEZNQCLSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660094 1050653462 /nfs/dbraw/zinc/65/34/62/1050653462.db2.gz QEQJLZJQEJUBRF-AWEZNQCLSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660094 1050653467 /nfs/dbraw/zinc/65/34/67/1050653467.db2.gz QEQJLZJQEJUBRF-AWEZNQCLSA-N 2 2 335.542 4.178 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093692860 1050663560 /nfs/dbraw/zinc/66/35/60/1050663560.db2.gz ONIJPMJNLLJGPW-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093692860 1050663569 /nfs/dbraw/zinc/66/35/69/1050663569.db2.gz ONIJPMJNLLJGPW-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001203149984 1050854520 /nfs/dbraw/zinc/85/45/20/1050854520.db2.gz YCUSYYDNIJWYER-GOSISDBHSA-N 2 2 340.433 4.288 20 0 EIADLP FC(F)(F)Cc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001203149984 1050854525 /nfs/dbraw/zinc/85/45/25/1050854525.db2.gz YCUSYYDNIJWYER-GOSISDBHSA-N 2 2 340.433 4.288 20 0 EIADLP CC1(C)CC([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC(C)(C)[NH2+]1 ZINC000070928262 1050954219 /nfs/dbraw/zinc/95/42/19/1050954219.db2.gz MRPDSVWKUNZBFX-UHFFFAOYSA-N 2 2 347.503 4.348 20 0 EIADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180950364 1051119419 /nfs/dbraw/zinc/11/94/19/1051119419.db2.gz ANTPWMGRNDJECS-AWEZNQCLSA-N 2 2 328.422 4.100 20 0 EIADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180953693 1051121930 /nfs/dbraw/zinc/12/19/30/1051121930.db2.gz SHTVRCXKTIQBBW-INIZCTEOSA-N 2 2 328.422 4.100 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@H+](Cc2ccccc2)C1 ZINC001181196352 1051177323 /nfs/dbraw/zinc/17/73/23/1051177323.db2.gz MSBHSWGAVDAQHX-GHTZIAJQSA-N 2 2 347.506 4.211 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@@H+](Cc2ccccc2)C1 ZINC001181196352 1051177335 /nfs/dbraw/zinc/17/73/35/1051177335.db2.gz MSBHSWGAVDAQHX-GHTZIAJQSA-N 2 2 347.506 4.211 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1Cl ZINC001181534287 1051247789 /nfs/dbraw/zinc/24/77/89/1051247789.db2.gz IMVIAUMJBVRBTI-CZUORRHYSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1Cl ZINC001181534287 1051247805 /nfs/dbraw/zinc/24/78/05/1051247805.db2.gz IMVIAUMJBVRBTI-CZUORRHYSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1Cl ZINC001181534287 1051247819 /nfs/dbraw/zinc/24/78/19/1051247819.db2.gz IMVIAUMJBVRBTI-CZUORRHYSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1Cl ZINC001181534287 1051247831 /nfs/dbraw/zinc/24/78/31/1051247831.db2.gz IMVIAUMJBVRBTI-CZUORRHYSA-N 2 2 327.299 4.218 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCCC2)CCOCC1)c1ccccc1 ZINC000153995357 1051255720 /nfs/dbraw/zinc/25/57/20/1051255720.db2.gz KVRMTWGERBGKRJ-ROUUACIJSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070797 1051360575 /nfs/dbraw/zinc/36/05/75/1051360575.db2.gz YDCUZWZFIGSTLY-KBRIMQKVSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000620945941 1051511165 /nfs/dbraw/zinc/51/11/65/1051511165.db2.gz AISUGBOYSIJQPU-CYBMUJFWSA-N 2 2 340.389 4.395 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000157516606 1051645530 /nfs/dbraw/zinc/64/55/30/1051645530.db2.gz OWSVJNIFXMPEDL-OAHLLOKOSA-N 2 2 334.479 4.282 20 0 EIADLP c1ccc(SC2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC001182919170 1051730420 /nfs/dbraw/zinc/73/04/20/1051730420.db2.gz VYCFDMQRHYGCFT-KGXSXCIVSA-N 2 2 330.541 4.306 20 0 EIADLP c1ccc(SC2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC001182919170 1051730434 /nfs/dbraw/zinc/73/04/34/1051730434.db2.gz VYCFDMQRHYGCFT-KGXSXCIVSA-N 2 2 330.541 4.306 20 0 EIADLP C[C@H](CC1CCCC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738843 1051891410 /nfs/dbraw/zinc/89/14/10/1051891410.db2.gz IXJALZKWMFGJIG-LJQANCHMSA-N 2 2 344.543 4.226 20 0 EIADLP C[C@H](CC1CCCC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738843 1051891415 /nfs/dbraw/zinc/89/14/15/1051891415.db2.gz IXJALZKWMFGJIG-LJQANCHMSA-N 2 2 344.543 4.226 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCCC1 ZINC000165330548 1052057770 /nfs/dbraw/zinc/05/77/70/1052057770.db2.gz NONIPJUHFLEJRA-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001176750982 1052182384 /nfs/dbraw/zinc/18/23/84/1052182384.db2.gz PKUUBJHDKXVGGY-UHFFFAOYSA-N 2 2 336.483 4.064 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001176990251 1052215233 /nfs/dbraw/zinc/21/52/33/1052215233.db2.gz FXESEWGZRAKMOK-HNNXBMFYSA-N 2 2 332.879 4.066 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001176990251 1052215244 /nfs/dbraw/zinc/21/52/44/1052215244.db2.gz FXESEWGZRAKMOK-HNNXBMFYSA-N 2 2 332.879 4.066 20 0 EIADLP FC(F)(F)c1cc(C[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000623398231 1052646084 /nfs/dbraw/zinc/64/60/84/1052646084.db2.gz ADRYRYHFTDMRTC-UHFFFAOYSA-N 2 2 329.391 4.144 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481218 1052662025 /nfs/dbraw/zinc/66/20/25/1052662025.db2.gz UMKZYTPKKWDJMS-CABCVRRESA-N 2 2 332.385 4.282 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481218 1052662028 /nfs/dbraw/zinc/66/20/28/1052662028.db2.gz UMKZYTPKKWDJMS-CABCVRRESA-N 2 2 332.385 4.282 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481219 1052662239 /nfs/dbraw/zinc/66/22/39/1052662239.db2.gz UMKZYTPKKWDJMS-GJZGRUSLSA-N 2 2 332.385 4.282 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481219 1052662241 /nfs/dbraw/zinc/66/22/41/1052662241.db2.gz UMKZYTPKKWDJMS-GJZGRUSLSA-N 2 2 332.385 4.282 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508655 1052666010 /nfs/dbraw/zinc/66/60/10/1052666010.db2.gz CVVUHHJWCBABJW-GDBMZVCRSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623508655 1052666014 /nfs/dbraw/zinc/66/60/14/1052666014.db2.gz CVVUHHJWCBABJW-GDBMZVCRSA-N 2 2 328.422 4.451 20 0 EIADLP CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000623678787 1052702436 /nfs/dbraw/zinc/70/24/36/1052702436.db2.gz ZHDJRJBUFPIVFR-SAABIXHNSA-N 2 2 347.528 4.397 20 0 EIADLP FC(F)(F)c1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000179664758 1052746667 /nfs/dbraw/zinc/74/66/67/1052746667.db2.gz FHNCHPFEGYCXTC-UHFFFAOYSA-N 2 2 337.389 4.172 20 0 EIADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000624014863 1052853412 /nfs/dbraw/zinc/85/34/12/1052853412.db2.gz ITBFCWXUYRVOGN-FIKGOQFSSA-N 2 2 330.516 4.104 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068446 1052861573 /nfs/dbraw/zinc/86/15/73/1052861573.db2.gz WHNZLLUVGVNTAY-XYEHWOGUSA-N 2 2 349.522 4.074 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068446 1052861577 /nfs/dbraw/zinc/86/15/77/1052861577.db2.gz WHNZLLUVGVNTAY-XYEHWOGUSA-N 2 2 349.522 4.074 20 0 EIADLP Fc1ccccc1C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000182235323 1052921773 /nfs/dbraw/zinc/92/17/73/1052921773.db2.gz YUIRRQXDFNHMFE-UHFFFAOYSA-N 2 2 338.470 4.112 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668775 1053020535 /nfs/dbraw/zinc/02/05/35/1053020535.db2.gz HBDIEUQOJYXONK-HUUCEWRRSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668775 1053020538 /nfs/dbraw/zinc/02/05/38/1053020538.db2.gz HBDIEUQOJYXONK-HUUCEWRRSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381335264 1053071675 /nfs/dbraw/zinc/07/16/75/1053071675.db2.gz JCCCQXMRRAPAKY-ZBFHGGJFSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381335264 1053071691 /nfs/dbraw/zinc/07/16/91/1053071691.db2.gz JCCCQXMRRAPAKY-ZBFHGGJFSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850363988 1053136345 /nfs/dbraw/zinc/13/63/45/1053136345.db2.gz NCJLCJZYUPEVGM-GAJHUEQPSA-N 2 2 349.522 4.039 20 0 EIADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000764570017 1053195971 /nfs/dbraw/zinc/19/59/71/1053195971.db2.gz AUWOKBYWSJGUGF-SUMWQHHRSA-N 2 2 338.480 4.365 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865467046 1053516125 /nfs/dbraw/zinc/51/61/25/1053516125.db2.gz DDXGJFMYDHDLHZ-CQSZACIVSA-N 2 2 347.865 4.189 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865485437 1053521929 /nfs/dbraw/zinc/52/19/29/1053521929.db2.gz WPISTPMRSRIJRC-YOEHRIQHSA-N 2 2 347.865 4.017 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000865485437 1053521940 /nfs/dbraw/zinc/52/19/40/1053521940.db2.gz WPISTPMRSRIJRC-YOEHRIQHSA-N 2 2 347.865 4.017 20 0 EIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921514345 1053563042 /nfs/dbraw/zinc/56/30/42/1053563042.db2.gz YUNGWPSVLIQYKT-UHFFFAOYSA-N 2 2 329.488 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)CCCO2 ZINC000853094681 1053644937 /nfs/dbraw/zinc/64/49/37/1053644937.db2.gz KFQBTZIXTZJUTG-AWEZNQCLSA-N 2 2 339.464 4.110 20 0 EIADLP Cc1cccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000866310394 1053687068 /nfs/dbraw/zinc/68/70/68/1053687068.db2.gz UOLZYQSXJFPHBK-OALUTQOASA-N 2 2 337.511 4.136 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000121014051 1053693903 /nfs/dbraw/zinc/69/39/03/1053693903.db2.gz SCPZOCKDADWMIR-AUSIDOKSSA-N 2 2 349.522 4.115 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866341950 1053697835 /nfs/dbraw/zinc/69/78/35/1053697835.db2.gz CNANVFHTGXKKND-AAEUAGOBSA-N 2 2 341.402 4.161 20 0 EIADLP CSc1ccccc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000866343569 1053697883 /nfs/dbraw/zinc/69/78/83/1053697883.db2.gz OEJLXUWNOYTVHV-DYESRHJHSA-N 2 2 349.503 4.299 20 0 EIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001196684047 1053720490 /nfs/dbraw/zinc/72/04/90/1053720490.db2.gz KKPVUTDVWNOMKF-UHFFFAOYSA-N 2 2 342.405 4.036 20 0 EIADLP [NH3+]CC[C@H]1CN(c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)c2ccccc21 ZINC001168547549 1053781096 /nfs/dbraw/zinc/78/10/96/1053781096.db2.gz FLRRYFOOKCMSDN-ZDUSSCGKSA-N 2 2 347.384 4.260 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3ccccc32)c[nH+]1 ZINC000030651681 1054043282 /nfs/dbraw/zinc/04/32/82/1054043282.db2.gz RBCCKCGNWUJUNQ-UHFFFAOYSA-N 2 2 327.431 4.374 20 0 EIADLP Cc1ccc(-c2csc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000671680579 1054164307 /nfs/dbraw/zinc/16/43/07/1054164307.db2.gz POVUVDNVXLEJLP-QGZVFWFLSA-N 2 2 338.480 4.152 20 0 EIADLP Cc1ccc(-c2csc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000671680579 1054164317 /nfs/dbraw/zinc/16/43/17/1054164317.db2.gz POVUVDNVXLEJLP-QGZVFWFLSA-N 2 2 338.480 4.152 20 0 EIADLP CCC[N@H+](Cc1cncc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198632696 1054213732 /nfs/dbraw/zinc/21/37/32/1054213732.db2.gz JDOJTCQKZHBHPR-UHFFFAOYSA-N 2 2 337.511 4.267 20 0 EIADLP CCC[N@@H+](Cc1cncc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198632696 1054213748 /nfs/dbraw/zinc/21/37/48/1054213748.db2.gz JDOJTCQKZHBHPR-UHFFFAOYSA-N 2 2 337.511 4.267 20 0 EIADLP C[C@H](CCSc1ccccc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198769210 1054261053 /nfs/dbraw/zinc/26/10/53/1054261053.db2.gz KZLQVPJUFFPFNJ-MRXNPFEDSA-N 2 2 329.513 4.170 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC001198967736 1054312877 /nfs/dbraw/zinc/31/28/77/1054312877.db2.gz BZNJKGZGBBDBFQ-JLXBBBJOSA-N 2 2 342.433 4.405 20 0 EIADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000872040339 1054354293 /nfs/dbraw/zinc/35/42/93/1054354293.db2.gz XXYAVYATHSSYTN-HOTGVXAUSA-N 2 2 339.405 4.415 20 0 EIADLP [NH3+]C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1C(F)(F)F ZINC000872147703 1054411819 /nfs/dbraw/zinc/41/18/19/1054411819.db2.gz CYUWSFNRSVIHJG-KOLCDFICSA-N 2 2 348.821 4.124 20 0 EIADLP [NH3+]C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1C(F)(F)F ZINC000872147703 1054411826 /nfs/dbraw/zinc/41/18/26/1054411826.db2.gz CYUWSFNRSVIHJG-KOLCDFICSA-N 2 2 348.821 4.124 20 0 EIADLP c1ccc2oc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)nc2c1 ZINC001199896012 1054484696 /nfs/dbraw/zinc/48/46/96/1054484696.db2.gz HHXAOVMXZFKKBS-UHFFFAOYSA-N 2 2 349.478 4.494 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000859212965 1054645681 /nfs/dbraw/zinc/64/56/81/1054645681.db2.gz PJUBQRKEFQTVNM-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2Cl)cc1 ZINC000859212965 1054645693 /nfs/dbraw/zinc/64/56/93/1054645693.db2.gz PJUBQRKEFQTVNM-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560310 1054848852 /nfs/dbraw/zinc/84/88/52/1054848852.db2.gz ROJUEPOAMLGANV-TYPHKJRUSA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560310 1054848858 /nfs/dbraw/zinc/84/88/58/1054848858.db2.gz ROJUEPOAMLGANV-TYPHKJRUSA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560310 1054848865 /nfs/dbraw/zinc/84/88/65/1054848865.db2.gz ROJUEPOAMLGANV-TYPHKJRUSA-N 2 2 329.532 4.052 20 0 EIADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201560310 1054848869 /nfs/dbraw/zinc/84/88/69/1054848869.db2.gz ROJUEPOAMLGANV-TYPHKJRUSA-N 2 2 329.532 4.052 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201974684 1054951824 /nfs/dbraw/zinc/95/18/24/1054951824.db2.gz ZFPYLCQZMIBVAG-ACRUOGEOSA-N 2 2 341.543 4.218 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CC2(Cl)Cl)c(C)c1 ZINC000877113808 1055021227 /nfs/dbraw/zinc/02/12/27/1055021227.db2.gz HCERZJNAWRYKNE-GDBMZVCRSA-N 2 2 338.282 4.025 20 0 EIADLP Cc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035169 /nfs/dbraw/zinc/03/51/69/1055035169.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035176 /nfs/dbraw/zinc/03/51/76/1055035176.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035195 /nfs/dbraw/zinc/03/51/95/1055035195.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035209 /nfs/dbraw/zinc/03/52/09/1055035209.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202424350 1055167148 /nfs/dbraw/zinc/16/71/48/1055167148.db2.gz GTCACYVWZMOVEH-UHFFFAOYSA-N 2 2 328.422 4.315 20 0 EIADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202424350 1055167150 /nfs/dbraw/zinc/16/71/50/1055167150.db2.gz GTCACYVWZMOVEH-UHFFFAOYSA-N 2 2 328.422 4.315 20 0 EIADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000776367158 1055223614 /nfs/dbraw/zinc/22/36/14/1055223614.db2.gz YZQZTBXYYGNTBA-CQSZACIVSA-N 2 2 338.480 4.058 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709894 1055997237 /nfs/dbraw/zinc/99/72/37/1055997237.db2.gz FSUGMXFDHCHLSC-LBDPXKHJSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474709894 1055997242 /nfs/dbraw/zinc/99/72/42/1055997242.db2.gz FSUGMXFDHCHLSC-LBDPXKHJSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CCC(C(F)(F)F)CC1 ZINC000354462618 1056519061 /nfs/dbraw/zinc/51/90/61/1056519061.db2.gz ITVZVFLEPRLLGQ-FEWQNLEASA-N 2 2 329.410 4.107 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000921775930 1056527286 /nfs/dbraw/zinc/52/72/86/1056527286.db2.gz ISSUNJNWVGYGFG-WMLDXEAASA-N 2 2 349.931 4.278 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000921775930 1056527303 /nfs/dbraw/zinc/52/73/03/1056527303.db2.gz ISSUNJNWVGYGFG-WMLDXEAASA-N 2 2 349.931 4.278 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921799002 1056582176 /nfs/dbraw/zinc/58/21/76/1056582176.db2.gz LCAMTELGCSECEP-JKSUJKDBSA-N 2 2 333.435 4.047 20 0 EIADLP CCOc1cccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000766303782 1059142533 /nfs/dbraw/zinc/14/25/33/1059142533.db2.gz KINWGBQDNOOROC-LAUBAEHRSA-N 2 2 349.478 4.453 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000348093938 1060553404 /nfs/dbraw/zinc/55/34/04/1060553404.db2.gz VFGVKMDEDNRGLP-SFHVURJKSA-N 3 2 342.531 4.340 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001169114092 1060659855 /nfs/dbraw/zinc/65/98/55/1060659855.db2.gz WRAIQNCMMFPFBF-CLLJXQQHSA-N 2 2 333.690 4.362 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1Cl)C2 ZINC001169114092 1060659864 /nfs/dbraw/zinc/65/98/64/1060659864.db2.gz WRAIQNCMMFPFBF-CLLJXQQHSA-N 2 2 333.690 4.362 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001169239254 1060711867 /nfs/dbraw/zinc/71/18/67/1060711867.db2.gz VALINLXINLQWSK-UHFFFAOYSA-N 2 2 338.776 4.072 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206526 1032074603 /nfs/dbraw/zinc/07/46/03/1032074603.db2.gz VNCKVWWLYCVZJD-VFNWGFHPSA-N 2 2 335.426 4.425 20 0 EIADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000532213016 1032093600 /nfs/dbraw/zinc/09/36/00/1032093600.db2.gz OQEBTUWUFFMZBU-MJGOQNOKSA-N 2 2 345.462 4.127 20 0 EIADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459376404 1032100455 /nfs/dbraw/zinc/10/04/55/1032100455.db2.gz XCQKFZVMYCRADP-CXAGYDPISA-N 2 2 337.389 4.065 20 0 EIADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459376404 1032100461 /nfs/dbraw/zinc/10/04/61/1032100461.db2.gz XCQKFZVMYCRADP-CXAGYDPISA-N 2 2 337.389 4.065 20 0 EIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532270410 1032127938 /nfs/dbraw/zinc/12/79/38/1032127938.db2.gz FBMYGUMEGYCNLU-IBGZPJMESA-N 2 2 327.472 4.290 20 0 EIADLP COC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000193992185 1032161349 /nfs/dbraw/zinc/16/13/49/1032161349.db2.gz QBXUCEHDIPNLPY-SFHVURJKSA-N 2 2 341.842 4.003 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000532804493 1032323522 /nfs/dbraw/zinc/32/35/22/1032323522.db2.gz IZAGIRGLHHPDOX-QGZVFWFLSA-N 2 2 337.492 4.460 20 0 EIADLP C[NH+](Cc1ccco1)Cc1cc(C[N@H+](C)Cc2ccco2)ccc1F ZINC000450221762 1032359723 /nfs/dbraw/zinc/35/97/23/1032359723.db2.gz VWDYHBQJBNBTDN-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccco1)Cc1cc(C[N@@H+](C)Cc2ccco2)ccc1F ZINC000450221762 1032359732 /nfs/dbraw/zinc/35/97/32/1032359732.db2.gz VWDYHBQJBNBTDN-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccco1)Cc1ccc(F)c(C[N@H+](C)Cc2ccco2)c1 ZINC000450221762 1032359745 /nfs/dbraw/zinc/35/97/45/1032359745.db2.gz VWDYHBQJBNBTDN-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](Cc1ccco1)Cc1ccc(F)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000450221762 1032359754 /nfs/dbraw/zinc/35/97/54/1032359754.db2.gz VWDYHBQJBNBTDN-UHFFFAOYSA-N 2 2 342.414 4.276 20 0 EIADLP C[NH+](C)CC1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450261960 1032384429 /nfs/dbraw/zinc/38/44/29/1032384429.db2.gz QLMRFVZHVVWGNE-UHFFFAOYSA-N 2 2 337.389 4.032 20 0 EIADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450368752 1032458191 /nfs/dbraw/zinc/45/81/91/1032458191.db2.gz JRYBFRUNCZKMQG-ZDUSSCGKSA-N 2 2 344.821 4.201 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000177890569 1032523730 /nfs/dbraw/zinc/52/37/30/1032523730.db2.gz AMUAHXAEWGNNNS-KSZLIROESA-N 2 2 342.483 4.048 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000177890569 1032523742 /nfs/dbraw/zinc/52/37/42/1032523742.db2.gz AMUAHXAEWGNNNS-KSZLIROESA-N 2 2 342.483 4.048 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2ccccc2n1 ZINC000178624152 1032542168 /nfs/dbraw/zinc/54/21/68/1032542168.db2.gz VOVBSDDJNJJXGK-OAHLLOKOSA-N 2 2 346.409 4.410 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000180793573 1032624128 /nfs/dbraw/zinc/62/41/28/1032624128.db2.gz LMJRFHWHDMTJQD-UHFFFAOYSA-N 2 2 349.434 4.226 20 0 EIADLP CC[N@@H+](Cc1nc2ccccc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154649 1032658083 /nfs/dbraw/zinc/65/80/83/1032658083.db2.gz MSDQIXFVCMMIDX-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CC[N@H+](Cc1nc2ccccc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154649 1032658103 /nfs/dbraw/zinc/65/81/03/1032658103.db2.gz MSDQIXFVCMMIDX-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CC[NH+](Cc1nc2ccccc2o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154649 1032658116 /nfs/dbraw/zinc/65/81/16/1032658116.db2.gz MSDQIXFVCMMIDX-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CC[NH+](Cc1nc2ccccc2o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154649 1032658129 /nfs/dbraw/zinc/65/81/29/1032658129.db2.gz MSDQIXFVCMMIDX-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000163692939 1032743759 /nfs/dbraw/zinc/74/37/59/1032743759.db2.gz CJTWREBFODVGOE-JOCHJYFZSA-N 2 2 338.495 4.068 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000375591752 1019284802 /nfs/dbraw/zinc/28/48/02/1019284802.db2.gz OQZIRQTZSCWVJA-GCJKJVERSA-N 2 2 346.478 4.142 20 0 EIADLP C[C@@H]([NH2+]CCOC1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469765378 1032856680 /nfs/dbraw/zinc/85/66/80/1032856680.db2.gz SKWALIKFZCTEBJ-QGZVFWFLSA-N 2 2 327.472 4.262 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC3 ZINC000180415219 1020113327 /nfs/dbraw/zinc/11/33/27/1020113327.db2.gz QABCKFMRVHDXPN-QGZVFWFLSA-N 2 2 348.494 4.211 20 0 EIADLP C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653568971 1020663723 /nfs/dbraw/zinc/66/37/23/1020663723.db2.gz WIHVFJRYXWTIJM-GFCCVEGCSA-N 2 2 338.282 4.279 20 0 EIADLP C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653568971 1020663734 /nfs/dbraw/zinc/66/37/34/1020663734.db2.gz WIHVFJRYXWTIJM-GFCCVEGCSA-N 2 2 338.282 4.279 20 0 EIADLP CCCc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694851 1020901749 /nfs/dbraw/zinc/90/17/49/1020901749.db2.gz HOQRJIGRQDLLOY-FGZHOGPDSA-N 2 2 344.543 4.179 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000122162687 1021039340 /nfs/dbraw/zinc/03/93/40/1021039340.db2.gz LHKPGVMTSKDCET-OAHLLOKOSA-N 2 2 330.422 4.280 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000340506278 1021168269 /nfs/dbraw/zinc/16/82/69/1021168269.db2.gz KXQCLWBRCSIFCW-KRWDZBQOSA-N 2 2 327.472 4.066 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000683772722 1021461155 /nfs/dbraw/zinc/46/11/55/1021461155.db2.gz POKHBQMELUWSLI-NRFANRHFSA-N 2 2 342.446 4.042 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177807159 1021705535 /nfs/dbraw/zinc/70/55/35/1021705535.db2.gz CZZYWQQFBVBTJZ-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000414055707 1021747112 /nfs/dbraw/zinc/74/71/12/1021747112.db2.gz CWGDRYMEGAYUAB-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000414060613 1021760041 /nfs/dbraw/zinc/76/00/41/1021760041.db2.gz JQPTUFJMKVNPGM-GOSISDBHSA-N 2 2 349.478 4.142 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010482 1021893439 /nfs/dbraw/zinc/89/34/39/1021893439.db2.gz CQSRADAHJHKFRQ-DNVCBOLYSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000398010482 1021893440 /nfs/dbraw/zinc/89/34/40/1021893440.db2.gz CQSRADAHJHKFRQ-DNVCBOLYSA-N 2 2 346.877 4.479 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000414131997 1021903989 /nfs/dbraw/zinc/90/39/89/1021903989.db2.gz LRWRQGSCOZPAGS-NXHRZFHOSA-N 2 2 329.875 4.167 20 0 EIADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000377838144 1022042765 /nfs/dbraw/zinc/04/27/65/1022042765.db2.gz VZDUVGGRQCFIKG-KRWDZBQOSA-N 2 2 335.451 4.021 20 0 EIADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087540 1022306784 /nfs/dbraw/zinc/30/67/84/1022306784.db2.gz BNBQYJCXXBKKNZ-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087540 1022306798 /nfs/dbraw/zinc/30/67/98/1022306798.db2.gz BNBQYJCXXBKKNZ-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000472572922 1022374302 /nfs/dbraw/zinc/37/43/02/1022374302.db2.gz YYCJYRCYTCIGDY-RHSMWYFYSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000472572922 1022374314 /nfs/dbraw/zinc/37/43/14/1022374314.db2.gz YYCJYRCYTCIGDY-RHSMWYFYSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000472572922 1022374326 /nfs/dbraw/zinc/37/43/26/1022374326.db2.gz YYCJYRCYTCIGDY-RHSMWYFYSA-N 2 2 339.321 4.174 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000472572922 1022374343 /nfs/dbraw/zinc/37/43/43/1022374343.db2.gz YYCJYRCYTCIGDY-RHSMWYFYSA-N 2 2 339.321 4.174 20 0 EIADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1SC ZINC000378186271 1022488576 /nfs/dbraw/zinc/48/85/76/1022488576.db2.gz WGUOMEICAJUDHD-GOEBONIOSA-N 2 2 345.512 4.150 20 0 EIADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000893182429 1022560182 /nfs/dbraw/zinc/56/01/82/1022560182.db2.gz KYKQUBPUIDDEFC-LJQANCHMSA-N 2 2 339.439 4.023 20 0 EIADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000580921687 1022700495 /nfs/dbraw/zinc/70/04/95/1022700495.db2.gz XEWBTLYQGPJLPJ-GWCFXTLKSA-N 2 2 344.509 4.111 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cnoc2C2CC2)CC1 ZINC000378394831 1022796166 /nfs/dbraw/zinc/79/61/66/1022796166.db2.gz KLXBSHRETZJDPI-FQEVSTJZSA-N 2 2 339.483 4.039 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cnoc2C2CC2)CC1 ZINC000378394831 1022796191 /nfs/dbraw/zinc/79/61/91/1022796191.db2.gz KLXBSHRETZJDPI-FQEVSTJZSA-N 2 2 339.483 4.039 20 0 EIADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cnoc2C2CC2)CC1 ZINC000378394831 1022796202 /nfs/dbraw/zinc/79/62/02/1022796202.db2.gz KLXBSHRETZJDPI-FQEVSTJZSA-N 2 2 339.483 4.039 20 0 EIADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cnoc2C2CC2)CC1 ZINC000378394831 1022796211 /nfs/dbraw/zinc/79/62/11/1022796211.db2.gz KLXBSHRETZJDPI-FQEVSTJZSA-N 2 2 339.483 4.039 20 0 EIADLP CCCSC[C@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000893282989 1023081502 /nfs/dbraw/zinc/08/15/02/1023081502.db2.gz QFUKNWXZFHFRPO-INIZCTEOSA-N 2 2 335.561 4.161 20 0 EIADLP CC(C)c1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349420801 1023261713 /nfs/dbraw/zinc/26/17/13/1023261713.db2.gz RTQLAXIAOCXCCY-UHFFFAOYSA-N 2 2 332.517 4.155 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321312 1023264850 /nfs/dbraw/zinc/26/48/50/1023264850.db2.gz LJQYLWHPBLLEGH-AYOQOUSVSA-N 2 2 337.492 4.275 20 0 EIADLP C[N@H+](Cc1ccc(C(F)F)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364088031 1023274097 /nfs/dbraw/zinc/27/40/97/1023274097.db2.gz WBCKRXMWNPWDSN-UHFFFAOYSA-N 2 2 331.410 4.120 20 0 EIADLP C[N@@H+](Cc1ccc(C(F)F)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364088031 1023274109 /nfs/dbraw/zinc/27/41/09/1023274109.db2.gz WBCKRXMWNPWDSN-UHFFFAOYSA-N 2 2 331.410 4.120 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000647168277 1023428974 /nfs/dbraw/zinc/42/89/74/1023428974.db2.gz OXSXDEJMDBLHNZ-INIZCTEOSA-N 2 2 330.859 4.220 20 0 EIADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)o1 ZINC000647168277 1023428979 /nfs/dbraw/zinc/42/89/79/1023428979.db2.gz OXSXDEJMDBLHNZ-INIZCTEOSA-N 2 2 330.859 4.220 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415084016 1023433555 /nfs/dbraw/zinc/43/35/55/1023433555.db2.gz QPWTXUXYJQIPJI-IAQYHMDHSA-N 2 2 335.904 4.175 20 0 EIADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000364218029 1023496291 /nfs/dbraw/zinc/49/62/91/1023496291.db2.gz PSWDHBCRQKWMCP-CYBMUJFWSA-N 2 2 336.526 4.133 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)cs2)cc1 ZINC000500130140 1023525401 /nfs/dbraw/zinc/52/54/01/1023525401.db2.gz IXCNCAOJPBXSDA-QGZVFWFLSA-N 2 2 343.540 4.330 20 0 EIADLP Cc1ccc([C@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+]2CCCC2)cc1 ZINC000377616434 1023635436 /nfs/dbraw/zinc/63/54/36/1023635436.db2.gz POBLTDAJPKWGMZ-AOMIVXANSA-N 2 2 335.495 4.063 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390552355 1023675273 /nfs/dbraw/zinc/67/52/73/1023675273.db2.gz DLYSRTQLSQRSMJ-WBVHZDCISA-N 2 2 328.422 4.362 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390552355 1023675279 /nfs/dbraw/zinc/67/52/79/1023675279.db2.gz DLYSRTQLSQRSMJ-WBVHZDCISA-N 2 2 328.422 4.362 20 0 EIADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478467 1023860283 /nfs/dbraw/zinc/86/02/83/1023860283.db2.gz BZWAXOPSYGPSKA-HUUCEWRRSA-N 2 2 325.447 4.080 20 0 EIADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478467 1023860285 /nfs/dbraw/zinc/86/02/85/1023860285.db2.gz BZWAXOPSYGPSKA-HUUCEWRRSA-N 2 2 325.447 4.080 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCOc3cc(Cl)ccc31)CCC2 ZINC000341702469 1024354322 /nfs/dbraw/zinc/35/43/22/1024354322.db2.gz XJLJOLTXCFPQAE-PBHICJAKSA-N 2 2 345.874 4.226 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510736767 1024378625 /nfs/dbraw/zinc/37/86/25/1024378625.db2.gz RFGWTPIKFYZAIN-NDXORKPFSA-N 2 2 326.459 4.296 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(F)c2)c1 ZINC000510736767 1024378643 /nfs/dbraw/zinc/37/86/43/1024378643.db2.gz RFGWTPIKFYZAIN-NDXORKPFSA-N 2 2 326.459 4.296 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)CC[N@@H+]1C ZINC000652220838 1024391190 /nfs/dbraw/zinc/39/11/90/1024391190.db2.gz KOAYWLPPXYJSKF-DOTOQJQBSA-N 2 2 328.431 4.190 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)CC[N@H+]1C ZINC000652220838 1024391208 /nfs/dbraw/zinc/39/12/08/1024391208.db2.gz KOAYWLPPXYJSKF-DOTOQJQBSA-N 2 2 328.431 4.190 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661740757 1024424649 /nfs/dbraw/zinc/42/46/49/1024424649.db2.gz RVLCAHAPUTXEEE-GOSISDBHSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661740757 1024424705 /nfs/dbraw/zinc/42/47/05/1024424705.db2.gz RVLCAHAPUTXEEE-GOSISDBHSA-N 2 2 347.890 4.087 20 0 EIADLP Clc1nccc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc21 ZINC000893979520 1033217399 /nfs/dbraw/zinc/21/73/99/1033217399.db2.gz BRHHSWJHVTZXBK-UHFFFAOYSA-N 2 2 332.860 4.052 20 0 EIADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431153775 1024737238 /nfs/dbraw/zinc/73/72/38/1024737238.db2.gz RPSAMMCPWLINKX-SUMWQHHRSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431153775 1024737260 /nfs/dbraw/zinc/73/72/60/1024737260.db2.gz RPSAMMCPWLINKX-SUMWQHHRSA-N 2 2 347.256 4.058 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903181 1024979079 /nfs/dbraw/zinc/97/90/79/1024979079.db2.gz TUOWTBXWWGOKIW-DENIHFKCSA-N 2 2 340.511 4.355 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903181 1024979092 /nfs/dbraw/zinc/97/90/92/1024979092.db2.gz TUOWTBXWWGOKIW-DENIHFKCSA-N 2 2 340.511 4.355 20 0 EIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121357201 1025207154 /nfs/dbraw/zinc/20/71/54/1025207154.db2.gz YXJHOWQYENDQPM-QGZVFWFLSA-N 2 2 339.483 4.188 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278873159 1025254117 /nfs/dbraw/zinc/25/41/17/1025254117.db2.gz GIFUEUVISFVUSO-OCCSQVGLSA-N 2 2 342.314 4.131 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000278873159 1025254132 /nfs/dbraw/zinc/25/41/32/1025254132.db2.gz GIFUEUVISFVUSO-OCCSQVGLSA-N 2 2 342.314 4.131 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000512046851 1025841805 /nfs/dbraw/zinc/84/18/05/1025841805.db2.gz VVPWHXDLEKGHMV-IBGZPJMESA-N 2 2 347.503 4.365 20 0 EIADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000164176071 1025889141 /nfs/dbraw/zinc/88/91/41/1025889141.db2.gz ITFSAHKAFRZVGH-UWJYYQICSA-N 2 2 334.467 4.358 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000187834677 1025899261 /nfs/dbraw/zinc/89/92/61/1025899261.db2.gz ZUPBFIVEDLNDKW-GOSISDBHSA-N 2 2 327.378 4.391 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000512116439 1026038743 /nfs/dbraw/zinc/03/87/43/1026038743.db2.gz NVFDNPBHZNNSOQ-ARJAWSKDSA-N 2 2 339.389 4.013 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000512115966 1026041083 /nfs/dbraw/zinc/04/10/83/1026041083.db2.gz RCOOKXVWSROKAX-LJQANCHMSA-N 2 2 347.503 4.365 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCCO2 ZINC000162877457 1026319997 /nfs/dbraw/zinc/31/99/97/1026319997.db2.gz GQXZGLZKCCSDIU-GOSISDBHSA-N 2 2 325.456 4.086 20 0 EIADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344523282 1026431561 /nfs/dbraw/zinc/43/15/61/1026431561.db2.gz XJJINVBDXDRIGC-GOSISDBHSA-N 2 2 327.472 4.038 20 0 EIADLP C[C@@H](Nc1[nH+]ccc2c(N)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663778571 1026576812 /nfs/dbraw/zinc/57/68/12/1026576812.db2.gz GBCOVTHNSDLJEB-SJLPKXTDSA-N 2 2 346.478 4.140 20 0 EIADLP C[C@@H](Nc1[nH+]ccc2c(N)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663778571 1026576823 /nfs/dbraw/zinc/57/68/23/1026576823.db2.gz GBCOVTHNSDLJEB-SJLPKXTDSA-N 2 2 346.478 4.140 20 0 EIADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426782 1026577115 /nfs/dbraw/zinc/57/71/15/1026577115.db2.gz GAENPWHZADPPAL-HKUYNNGSSA-N 2 2 346.425 4.008 20 0 EIADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000436426782 1026577124 /nfs/dbraw/zinc/57/71/24/1026577124.db2.gz GAENPWHZADPPAL-HKUYNNGSSA-N 2 2 346.425 4.008 20 0 EIADLP COc1ccccc1-c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000512364878 1026808270 /nfs/dbraw/zinc/80/82/70/1026808270.db2.gz NUFUCLOCKSOARR-UHFFFAOYSA-N 2 2 347.462 4.465 20 0 EIADLP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000507509823 1026820969 /nfs/dbraw/zinc/82/09/69/1026820969.db2.gz MDQBTOFKJIKRDA-OAHLLOKOSA-N 2 2 328.422 4.105 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000152828059 1026853159 /nfs/dbraw/zinc/85/31/59/1026853159.db2.gz YVNOKLNLUJQRPM-AWEZNQCLSA-N 2 2 349.931 4.154 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934559404 1026870925 /nfs/dbraw/zinc/87/09/25/1026870925.db2.gz MZAFEVRPYWVPQJ-KRWDZBQOSA-N 2 2 349.482 4.028 20 0 EIADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582695590 1026954042 /nfs/dbraw/zinc/95/40/42/1026954042.db2.gz XIJXFQMQLHIVRA-IAGOWNOFSA-N 2 2 331.891 4.167 20 0 EIADLP Cc1ccc2[nH+]ccc(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1 ZINC000519792677 1026991399 /nfs/dbraw/zinc/99/13/99/1026991399.db2.gz LTFIRNFUEJIGMB-UHFFFAOYSA-N 2 2 334.467 4.437 20 0 EIADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000474473374 1027098595 /nfs/dbraw/zinc/09/85/95/1027098595.db2.gz QQUKXKWILVCBJV-UHFFFAOYSA-N 2 2 326.459 4.142 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840422 1027227949 /nfs/dbraw/zinc/22/79/49/1027227949.db2.gz DCVKTUSMZYQENR-MOPGFXCFSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840422 1027227959 /nfs/dbraw/zinc/22/79/59/1027227959.db2.gz DCVKTUSMZYQENR-MOPGFXCFSA-N 2 2 344.524 4.080 20 0 EIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000444617756 1027893404 /nfs/dbraw/zinc/89/34/04/1027893404.db2.gz HVVFUVIEDVHWAJ-INIZCTEOSA-N 2 2 332.385 4.285 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1F ZINC000926448744 1027919675 /nfs/dbraw/zinc/91/96/75/1027919675.db2.gz BCAUXRQVHZXSHK-SCZZXKLOSA-N 2 2 328.218 4.064 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C3CCC(C)(C)CC3)sc2C1 ZINC000346189943 1028294866 /nfs/dbraw/zinc/29/48/66/1028294866.db2.gz AJXAQTHOGGKHGU-UHFFFAOYSA-N 2 2 335.561 4.310 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C3CCC(C)(C)CC3)sc2C1 ZINC000346189943 1028294888 /nfs/dbraw/zinc/29/48/88/1028294888.db2.gz AJXAQTHOGGKHGU-UHFFFAOYSA-N 2 2 335.561 4.310 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C3CCC(C)(C)CC3)sc2C1 ZINC000346189943 1028294905 /nfs/dbraw/zinc/29/49/05/1028294905.db2.gz AJXAQTHOGGKHGU-UHFFFAOYSA-N 2 2 335.561 4.310 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C3CCC(C)(C)CC3)sc2C1 ZINC000346189943 1028294923 /nfs/dbraw/zinc/29/49/23/1028294923.db2.gz AJXAQTHOGGKHGU-UHFFFAOYSA-N 2 2 335.561 4.310 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1Cl ZINC000154865479 1028318726 /nfs/dbraw/zinc/31/87/26/1028318726.db2.gz YDAYVKBJYZRHKD-KRWDZBQOSA-N 2 2 345.314 4.145 20 0 EIADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000346194456 1028322355 /nfs/dbraw/zinc/32/23/55/1028322355.db2.gz GSBJTGGPNOHMJZ-MRXNPFEDSA-N 2 2 344.509 4.208 20 0 EIADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000346194456 1028322372 /nfs/dbraw/zinc/32/23/72/1028322372.db2.gz GSBJTGGPNOHMJZ-MRXNPFEDSA-N 2 2 344.509 4.208 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@]4(CC=CCC4)C3)sc2C1 ZINC000346225723 1028333214 /nfs/dbraw/zinc/33/32/14/1028333214.db2.gz SNDPPXOHILGLEI-FQEVSTJZSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@]4(CC=CCC4)C3)sc2C1 ZINC000346225723 1028333232 /nfs/dbraw/zinc/33/32/32/1028333232.db2.gz SNDPPXOHILGLEI-FQEVSTJZSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)sc2C1 ZINC000346225723 1028333249 /nfs/dbraw/zinc/33/32/49/1028333249.db2.gz SNDPPXOHILGLEI-FQEVSTJZSA-N 2 2 345.556 4.232 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)sc2C1 ZINC000346225723 1028333264 /nfs/dbraw/zinc/33/32/64/1028333264.db2.gz SNDPPXOHILGLEI-FQEVSTJZSA-N 2 2 345.556 4.232 20 0 EIADLP C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156204486 1028666795 /nfs/dbraw/zinc/66/67/95/1028666795.db2.gz LPGSMRJAGZWFBB-MRXNPFEDSA-N 2 2 345.450 4.032 20 0 EIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156226054 1028676782 /nfs/dbraw/zinc/67/67/82/1028676782.db2.gz PXPCRAOERLRVIW-AWEZNQCLSA-N 2 2 344.528 4.290 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346870252 1028802950 /nfs/dbraw/zinc/80/29/50/1028802950.db2.gz LSLLFWLRJBCPSN-MSOLQXFVSA-N 3 2 340.515 4.096 20 0 EIADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256723 1028817551 /nfs/dbraw/zinc/81/75/51/1028817551.db2.gz PWRGNGYWJCTPRT-SUNYJGFJSA-N 2 2 329.513 4.109 20 0 EIADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214713 1028942915 /nfs/dbraw/zinc/94/29/15/1028942915.db2.gz QCFGQXKNOHLGRC-OCCSQVGLSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347214713 1028942944 /nfs/dbraw/zinc/94/29/44/1028942944.db2.gz QCFGQXKNOHLGRC-OCCSQVGLSA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000151114389 1029078026 /nfs/dbraw/zinc/07/80/26/1029078026.db2.gz HHIDALMZURKLQZ-AWEZNQCLSA-N 2 2 329.444 4.492 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000151136431 1029145758 /nfs/dbraw/zinc/14/57/58/1029145758.db2.gz QVDJXEVDCKRJMK-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000151136431 1029145764 /nfs/dbraw/zinc/14/57/64/1029145764.db2.gz QVDJXEVDCKRJMK-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131065880 1029276153 /nfs/dbraw/zinc/27/61/53/1029276153.db2.gz FSUPACXFVPNGDK-YMIFCHIISA-N 2 2 335.495 4.300 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192807882 1029421086 /nfs/dbraw/zinc/42/10/86/1029421086.db2.gz DJTJWLUZDMOAOI-LSDHHAIUSA-N 2 2 339.414 4.432 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000151306782 1029472034 /nfs/dbraw/zinc/47/20/34/1029472034.db2.gz CQLZGEJIOQFDBK-JOCHJYFZSA-N 2 2 331.463 4.042 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657818656 1029518849 /nfs/dbraw/zinc/51/88/49/1029518849.db2.gz WOSYZFXOZKRVRS-OAHLLOKOSA-N 2 2 345.437 4.334 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000446823771 1029590726 /nfs/dbraw/zinc/59/07/26/1029590726.db2.gz PBUKWDLEBYPZPZ-OAHLLOKOSA-N 2 2 349.881 4.100 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000446823771 1029590734 /nfs/dbraw/zinc/59/07/34/1029590734.db2.gz PBUKWDLEBYPZPZ-OAHLLOKOSA-N 2 2 349.881 4.100 20 0 EIADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000584136981 1029641405 /nfs/dbraw/zinc/64/14/05/1029641405.db2.gz YMJLWXQZKCJATM-LJQANCHMSA-N 2 2 336.907 4.024 20 0 EIADLP C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301617702 1029774683 /nfs/dbraw/zinc/77/46/83/1029774683.db2.gz AWJPJHWBFXYXTJ-SCLBCKFNSA-N 2 2 326.831 4.172 20 0 EIADLP Fc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090100582 1029863442 /nfs/dbraw/zinc/86/34/42/1029863442.db2.gz XWYOPSLSNMATOR-WOJBJXKFSA-N 2 2 339.458 4.115 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667896 1029868186 /nfs/dbraw/zinc/86/81/86/1029868186.db2.gz UKLCDZPPUWZODU-CVEARBPZSA-N 2 2 329.513 4.328 20 0 EIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667193 1029868723 /nfs/dbraw/zinc/86/87/23/1029868723.db2.gz BFFHUPIEYYSMHB-DZFGPLHGSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000092073920 1029899915 /nfs/dbraw/zinc/89/99/15/1029899915.db2.gz UZXRSIDLULWDBM-INIZCTEOSA-N 2 2 338.480 4.221 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000092073920 1029899917 /nfs/dbraw/zinc/89/99/17/1029899917.db2.gz UZXRSIDLULWDBM-INIZCTEOSA-N 2 2 338.480 4.221 20 0 EIADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000181992649 1029930683 /nfs/dbraw/zinc/93/06/83/1029930683.db2.gz JIMNACDEEVCFSU-GOSISDBHSA-N 2 2 337.398 4.015 20 0 EIADLP CCc1ncc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093818706 1029991832 /nfs/dbraw/zinc/99/18/32/1029991832.db2.gz YYICWHUEFGFRKB-SFHVURJKSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093818706 1029991859 /nfs/dbraw/zinc/99/18/59/1029991859.db2.gz YYICWHUEFGFRKB-SFHVURJKSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093818706 1029991877 /nfs/dbraw/zinc/99/18/77/1029991877.db2.gz YYICWHUEFGFRKB-SFHVURJKSA-N 2 2 343.540 4.050 20 0 EIADLP CCc1ncc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093818706 1029991899 /nfs/dbraw/zinc/99/18/99/1029991899.db2.gz YYICWHUEFGFRKB-SFHVURJKSA-N 2 2 343.540 4.050 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447728504 1030295063 /nfs/dbraw/zinc/29/50/63/1030295063.db2.gz LTIRCCVNAIRSAA-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447728504 1030295087 /nfs/dbraw/zinc/29/50/87/1030295087.db2.gz LTIRCCVNAIRSAA-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447728504 1030295112 /nfs/dbraw/zinc/29/51/12/1030295112.db2.gz LTIRCCVNAIRSAA-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447728504 1030295134 /nfs/dbraw/zinc/29/51/34/1030295134.db2.gz LTIRCCVNAIRSAA-OAHLLOKOSA-N 2 2 326.887 4.075 20 0 EIADLP CCCCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969046 1030483277 /nfs/dbraw/zinc/48/32/77/1030483277.db2.gz FDYLWDPCIKJFTQ-UHFFFAOYSA-N 2 2 339.483 4.019 20 0 EIADLP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530516806 1030494296 /nfs/dbraw/zinc/49/42/96/1030494296.db2.gz FZDKICKUHKVMIC-OAQYLSRUSA-N 2 2 342.527 4.075 20 0 EIADLP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530516806 1030494304 /nfs/dbraw/zinc/49/43/04/1030494304.db2.gz FZDKICKUHKVMIC-OAQYLSRUSA-N 2 2 342.527 4.075 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000527227378 1030582144 /nfs/dbraw/zinc/58/21/44/1030582144.db2.gz UMARYUXYRJFXQE-AWEZNQCLSA-N 2 2 326.937 4.272 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000527227378 1030582152 /nfs/dbraw/zinc/58/21/52/1030582152.db2.gz UMARYUXYRJFXQE-AWEZNQCLSA-N 2 2 326.937 4.272 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCSCC2)c(C)c1 ZINC000657930754 1030622022 /nfs/dbraw/zinc/62/20/22/1030622022.db2.gz KOPXZSVPTMULPC-MJGOQNOKSA-N 2 2 329.513 4.117 20 0 EIADLP Cc1cnc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)s1 ZINC000192178034 1030679854 /nfs/dbraw/zinc/67/98/54/1030679854.db2.gz FMRDBFAWOYVUOS-SFHVURJKSA-N 2 2 338.480 4.187 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000531212754 1030986883 /nfs/dbraw/zinc/98/68/83/1030986883.db2.gz FSDLSPZQXAIURH-HZPDHXFCSA-N 2 2 337.389 4.331 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000340363620 1031211676 /nfs/dbraw/zinc/21/16/76/1031211676.db2.gz IVZANWZBRQSDOL-DBVUQKKJSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000340363620 1031211693 /nfs/dbraw/zinc/21/16/93/1031211693.db2.gz IVZANWZBRQSDOL-DBVUQKKJSA-N 2 2 340.442 4.074 20 0 EIADLP COc1cccc(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)c1C ZINC001168209115 1031274735 /nfs/dbraw/zinc/27/47/35/1031274735.db2.gz YVXMREVAAHAJJO-UHFFFAOYSA-N 2 2 326.484 4.004 20 0 EIADLP COc1cccc(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)c1C ZINC001168209115 1031274747 /nfs/dbraw/zinc/27/47/47/1031274747.db2.gz YVXMREVAAHAJJO-UHFFFAOYSA-N 2 2 326.484 4.004 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589649 1031321540 /nfs/dbraw/zinc/32/15/40/1031321540.db2.gz ROVIOMMRJWFCJD-QFBILLFUSA-N 2 2 330.516 4.119 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589649 1031321561 /nfs/dbraw/zinc/32/15/61/1031321561.db2.gz ROVIOMMRJWFCJD-QFBILLFUSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589649 1031321579 /nfs/dbraw/zinc/32/15/79/1031321579.db2.gz ROVIOMMRJWFCJD-QFBILLFUSA-N 2 2 330.516 4.119 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000532589649 1031321598 /nfs/dbraw/zinc/32/15/98/1031321598.db2.gz ROVIOMMRJWFCJD-QFBILLFUSA-N 2 2 330.516 4.119 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Oc2ccccc2)cc1 ZINC000569891670 1031447019 /nfs/dbraw/zinc/44/70/19/1031447019.db2.gz ABLTYVUBBQIETD-NVXWUHKLSA-N 2 2 333.435 4.410 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449146319 1031481629 /nfs/dbraw/zinc/48/16/29/1031481629.db2.gz BYYVJUCMSCJUGQ-INIZCTEOSA-N 2 2 335.451 4.143 20 0 EIADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000531701627 1031485971 /nfs/dbraw/zinc/48/59/71/1031485971.db2.gz AWQRCYWIGARSLR-BBRMVZONSA-N 2 2 348.288 4.264 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000124060678 1031503607 /nfs/dbraw/zinc/50/36/07/1031503607.db2.gz PTUZNIULNUYFCP-GOSISDBHSA-N 2 2 327.378 4.391 20 0 EIADLP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000449167107 1031506967 /nfs/dbraw/zinc/50/69/67/1031506967.db2.gz HZBMEYDNXDBPDY-SFHVURJKSA-N 2 2 335.451 4.021 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccsc1 ZINC000453071152 1031538948 /nfs/dbraw/zinc/53/89/48/1031538948.db2.gz CVCPJGOXKZQJFK-GOSISDBHSA-N 2 2 325.481 4.276 20 0 EIADLP Clc1ccc(C2=CC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000449259079 1031580200 /nfs/dbraw/zinc/58/02/00/1031580200.db2.gz POHXHXROOFIXLY-QZTJIDSGSA-N 2 2 327.859 4.077 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)Cn1cc[nH+]c1 ZINC000237579408 1031677950 /nfs/dbraw/zinc/67/79/50/1031677950.db2.gz UBKFMWNNCAODTM-CQSZACIVSA-N 2 2 329.444 4.177 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528658322 1031721766 /nfs/dbraw/zinc/72/17/66/1031721766.db2.gz MMZXCTXPTMHBFR-NRFANRHFSA-N 2 2 332.451 4.207 20 0 EIADLP CCC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000453210106 1031725735 /nfs/dbraw/zinc/72/57/35/1031725735.db2.gz FFCMRFOPOLLMJY-JCYILVPMSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453257078 1031779002 /nfs/dbraw/zinc/77/90/02/1031779002.db2.gz URYISAAFTYPVSW-XQFWAAQXSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000453257078 1031779020 /nfs/dbraw/zinc/77/90/20/1031779020.db2.gz URYISAAFTYPVSW-XQFWAAQXSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@H](c1cccs1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459327111 1031820636 /nfs/dbraw/zinc/82/06/36/1031820636.db2.gz OHXFOGXADXUYFV-MRXNPFEDSA-N 2 2 325.481 4.288 20 0 EIADLP C[C@H](c1cccs1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459327111 1031820639 /nfs/dbraw/zinc/82/06/39/1031820639.db2.gz OHXFOGXADXUYFV-MRXNPFEDSA-N 2 2 325.481 4.288 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(C)(C)C ZINC000453329045 1031824032 /nfs/dbraw/zinc/82/40/32/1031824032.db2.gz QSZHVMGTAHSYTK-HXUWFJFHSA-N 2 2 345.531 4.024 20 0 EIADLP Cc1ccc2oc(C[N@H+](CCc3c[nH+]cn3C)Cc3ccco3)cc2c1 ZINC000459335979 1031843504 /nfs/dbraw/zinc/84/35/04/1031843504.db2.gz HHKDTNLEERNYIS-UHFFFAOYSA-N 2 2 349.434 4.313 20 0 EIADLP Cc1ccc2oc(C[N@@H+](CCc3c[nH+]cn3C)Cc3ccco3)cc2c1 ZINC000459335979 1031843514 /nfs/dbraw/zinc/84/35/14/1031843514.db2.gz HHKDTNLEERNYIS-UHFFFAOYSA-N 2 2 349.434 4.313 20 0 EIADLP Clc1ccc(C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000531947977 1031860997 /nfs/dbraw/zinc/86/09/97/1031860997.db2.gz WZAQUEHAGYKKQI-IBGZPJMESA-N 2 2 325.843 4.110 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453373465 1031920555 /nfs/dbraw/zinc/92/05/55/1031920555.db2.gz OGTGHUHKZOHPDQ-UTKZUKDTSA-N 2 2 346.478 4.494 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086430 1033310294 /nfs/dbraw/zinc/31/02/94/1033310294.db2.gz GDNOQMDTEKTJOL-AWEZNQCLSA-N 2 2 349.931 4.113 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086430 1033310316 /nfs/dbraw/zinc/31/03/16/1033310316.db2.gz GDNOQMDTEKTJOL-AWEZNQCLSA-N 2 2 349.931 4.113 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086430 1033310334 /nfs/dbraw/zinc/31/03/34/1033310334.db2.gz GDNOQMDTEKTJOL-AWEZNQCLSA-N 2 2 349.931 4.113 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894086430 1033310352 /nfs/dbraw/zinc/31/03/52/1033310352.db2.gz GDNOQMDTEKTJOL-AWEZNQCLSA-N 2 2 349.931 4.113 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152261240 1033833169 /nfs/dbraw/zinc/83/31/69/1033833169.db2.gz OXNRQLREZPTECJ-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513434803 1034940473 /nfs/dbraw/zinc/94/04/73/1034940473.db2.gz MEFFHKANWIDXSS-KRWDZBQOSA-N 2 2 347.572 4.499 20 0 EIADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513434803 1034940483 /nfs/dbraw/zinc/94/04/83/1034940483.db2.gz MEFFHKANWIDXSS-KRWDZBQOSA-N 2 2 347.572 4.499 20 0 EIADLP CCOc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513449823 1034961252 /nfs/dbraw/zinc/96/12/52/1034961252.db2.gz ABLDLHDOLPHAMB-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP CCOc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513449823 1034961260 /nfs/dbraw/zinc/96/12/60/1034961260.db2.gz ABLDLHDOLPHAMB-UHFFFAOYSA-N 2 2 338.495 4.182 20 0 EIADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513491829 1034984643 /nfs/dbraw/zinc/98/46/43/1034984643.db2.gz VUAZUVYKMXKUBI-UHFFFAOYSA-N 2 2 348.412 4.200 20 0 EIADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513491829 1034984646 /nfs/dbraw/zinc/98/46/46/1034984646.db2.gz VUAZUVYKMXKUBI-UHFFFAOYSA-N 2 2 348.412 4.200 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513563843 1035037027 /nfs/dbraw/zinc/03/70/27/1035037027.db2.gz NXVIYPOEEZHIQG-DYTRJAOYSA-N 2 2 344.543 4.039 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000513563843 1035037037 /nfs/dbraw/zinc/03/70/37/1035037037.db2.gz NXVIYPOEEZHIQG-DYTRJAOYSA-N 2 2 344.543 4.039 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000319650904 1035888683 /nfs/dbraw/zinc/88/86/83/1035888683.db2.gz DKPBOCQVESCCKA-CVEARBPZSA-N 2 2 333.476 4.264 20 0 EIADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C[NH+]1CCCCC1 ZINC000602910108 1036662141 /nfs/dbraw/zinc/66/21/41/1036662141.db2.gz IHTSMQZSZBSBMF-ZDUSSCGKSA-N 2 2 346.849 4.153 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3cccc(Cl)c3)sc2C1 ZINC000486719067 1036825859 /nfs/dbraw/zinc/82/58/59/1036825859.db2.gz FWUQEUGNFXOMOS-CYBMUJFWSA-N 2 2 349.931 4.414 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3cccc(Cl)c3)sc2C1 ZINC000486719067 1036825865 /nfs/dbraw/zinc/82/58/65/1036825865.db2.gz FWUQEUGNFXOMOS-CYBMUJFWSA-N 2 2 349.931 4.414 20 0 EIADLP Clc1ccc(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000589650884 1036861243 /nfs/dbraw/zinc/86/12/43/1036861243.db2.gz SVKCGFPFWZMIAA-UHFFFAOYSA-N 2 2 337.854 4.347 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271520711 1036933118 /nfs/dbraw/zinc/93/31/18/1036933118.db2.gz OKIOKCFKMPZZBN-WDYCEAGBSA-N 2 2 327.472 4.117 20 0 EIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271858308 1037037486 /nfs/dbraw/zinc/03/74/86/1037037486.db2.gz SSONYJXUGPHPHX-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C/C=C/c2ccncc2)CCCC1)c1ccccc1 ZINC000487288193 1037104010 /nfs/dbraw/zinc/10/40/10/1037104010.db2.gz LRAOJMVEHXKKMC-IHHMQQGQSA-N 2 2 335.495 4.348 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272355883 1037171171 /nfs/dbraw/zinc/17/11/71/1037171171.db2.gz RJMMXOBPDPJWQW-RYRKJORJSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272355883 1037171182 /nfs/dbraw/zinc/17/11/82/1037171182.db2.gz RJMMXOBPDPJWQW-RYRKJORJSA-N 2 2 343.902 4.296 20 0 EIADLP CC(C)c1csc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272572426 1037229291 /nfs/dbraw/zinc/22/92/91/1037229291.db2.gz IKHANDORKQUPRO-WMZOPIPTSA-N 2 2 343.540 4.267 20 0 EIADLP CC(C)c1csc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272572426 1037229323 /nfs/dbraw/zinc/22/93/23/1037229323.db2.gz IKHANDORKQUPRO-WMZOPIPTSA-N 2 2 343.540 4.267 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272656412 1037257895 /nfs/dbraw/zinc/25/78/95/1037257895.db2.gz LUIRDRAGOPTDCA-BQFCYCMXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272656412 1037257916 /nfs/dbraw/zinc/25/79/16/1037257916.db2.gz LUIRDRAGOPTDCA-BQFCYCMXSA-N 2 2 329.513 4.013 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000273035476 1037348262 /nfs/dbraw/zinc/34/82/62/1037348262.db2.gz GIFWBMABXRXMSQ-OAHLLOKOSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(C)(C)C)cc1 ZINC000573409706 1037501075 /nfs/dbraw/zinc/50/10/75/1037501075.db2.gz QARUAFAJOUUHCM-QAPCUYQASA-N 2 2 325.500 4.033 20 0 EIADLP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488417179 1037572154 /nfs/dbraw/zinc/57/21/54/1037572154.db2.gz VWMYUYGFKNKXCK-UTKZUKDTSA-N 2 2 331.463 4.344 20 0 EIADLP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488417175 1037573629 /nfs/dbraw/zinc/57/36/29/1037573629.db2.gz VWMYUYGFKNKXCK-LAUBAEHRSA-N 2 2 331.463 4.344 20 0 EIADLP Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591866731 1037645236 /nfs/dbraw/zinc/64/52/36/1037645236.db2.gz DTHGAKQEDFBRPL-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000591866731 1037645263 /nfs/dbraw/zinc/64/52/63/1037645263.db2.gz DTHGAKQEDFBRPL-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000591866872 1037646024 /nfs/dbraw/zinc/64/60/24/1037646024.db2.gz IEFIOWVPAVWNKC-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000591866872 1037646038 /nfs/dbraw/zinc/64/60/38/1037646038.db2.gz IEFIOWVPAVWNKC-MRXNPFEDSA-N 2 2 342.830 4.029 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380585 1037731342 /nfs/dbraw/zinc/73/13/42/1037731342.db2.gz XJYDMKWGFHSNNW-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380585 1037731363 /nfs/dbraw/zinc/73/13/63/1037731363.db2.gz XJYDMKWGFHSNNW-LSDHHAIUSA-N 2 2 345.437 4.438 20 0 EIADLP Cc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411259 1037746579 /nfs/dbraw/zinc/74/65/79/1037746579.db2.gz DHOZVNGSQQAUHI-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1cccc(CCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411259 1037746604 /nfs/dbraw/zinc/74/66/04/1037746604.db2.gz DHOZVNGSQQAUHI-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436117 1037758437 /nfs/dbraw/zinc/75/84/37/1037758437.db2.gz CRAVVIMVETYWCE-RXVVDRJESA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436117 1037758458 /nfs/dbraw/zinc/75/84/58/1037758458.db2.gz CRAVVIMVETYWCE-RXVVDRJESA-N 2 2 335.495 4.476 20 0 EIADLP C[N@@H+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000430065732 1037810404 /nfs/dbraw/zinc/81/04/04/1037810404.db2.gz MTTPJBOTJNYLOQ-GOTSBHOMSA-N 2 2 349.522 4.085 20 0 EIADLP C[N@H+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000430065732 1037810411 /nfs/dbraw/zinc/81/04/11/1037810411.db2.gz MTTPJBOTJNYLOQ-GOTSBHOMSA-N 2 2 349.522 4.085 20 0 EIADLP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000430065732 1037810417 /nfs/dbraw/zinc/81/04/17/1037810417.db2.gz MTTPJBOTJNYLOQ-GOTSBHOMSA-N 2 2 349.522 4.085 20 0 EIADLP C[NH+](Cc1ccc2c(c1)CCCC2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000430065732 1037810424 /nfs/dbraw/zinc/81/04/24/1037810424.db2.gz MTTPJBOTJNYLOQ-GOTSBHOMSA-N 2 2 349.522 4.085 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422967257 1037882277 /nfs/dbraw/zinc/88/22/77/1037882277.db2.gz OTCKRCNGMFAORR-PKTZIBPZSA-N 3 2 349.522 4.153 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1cc2cc(Cl)cnc2o1)Cc1ccccc1 ZINC000648406547 1037891724 /nfs/dbraw/zinc/89/17/24/1037891724.db2.gz RFZJKCACMITDDA-UHFFFAOYSA-N 2 2 343.858 4.093 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1cc2cc(Cl)cnc2o1)Cc1ccccc1 ZINC000648406547 1037891730 /nfs/dbraw/zinc/89/17/30/1037891730.db2.gz RFZJKCACMITDDA-UHFFFAOYSA-N 2 2 343.858 4.093 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971948 1037892935 /nfs/dbraw/zinc/89/29/35/1037892935.db2.gz ZEPFPWKQPDYTRH-IJZHQTRZSA-N 2 2 336.479 4.024 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422971951 1037892999 /nfs/dbraw/zinc/89/29/99/1037892999.db2.gz ZEPFPWKQPDYTRH-SLMMIHQXSA-N 2 2 336.479 4.024 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CC(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422971947 1037893332 /nfs/dbraw/zinc/89/33/32/1037893332.db2.gz ZEPFPWKQPDYTRH-FGGKUVOCSA-N 2 2 336.479 4.024 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423046532 1037908782 /nfs/dbraw/zinc/90/87/82/1037908782.db2.gz FMOHGRMUHYGILN-OAHLLOKOSA-N 2 2 335.451 4.285 20 0 EIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1Cl ZINC000423186659 1038016125 /nfs/dbraw/zinc/01/61/25/1038016125.db2.gz LLNLKPCTDYUBHZ-ZDUSSCGKSA-N 2 2 338.282 4.219 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236612 1038054073 /nfs/dbraw/zinc/05/40/73/1038054073.db2.gz OPBSGKWAQWECDH-NHYWBVRUSA-N 2 2 335.904 4.175 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447716 1038069649 /nfs/dbraw/zinc/06/96/49/1038069649.db2.gz WBJCDBKKJSRPAU-KRWDZBQOSA-N 2 2 326.406 4.156 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447716 1038069675 /nfs/dbraw/zinc/06/96/75/1038069675.db2.gz WBJCDBKKJSRPAU-KRWDZBQOSA-N 2 2 326.406 4.156 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000423252267 1038080797 /nfs/dbraw/zinc/08/07/97/1038080797.db2.gz XGVJTAJKOQVKFK-DYESRHJHSA-N 2 2 325.500 4.206 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccccc2Cl)cc1 ZINC000423396984 1038204284 /nfs/dbraw/zinc/20/42/84/1038204284.db2.gz NYUXOENFZHXXHA-UAOJZALGSA-N 2 2 344.886 4.026 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423498538 1038255605 /nfs/dbraw/zinc/25/56/05/1038255605.db2.gz ICXZCHWNAVMPEN-KDOFPFPSSA-N 2 2 344.524 4.330 20 0 EIADLP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423512183 1038272053 /nfs/dbraw/zinc/27/20/53/1038272053.db2.gz UPGRADMULNRKGR-UTKZUKDTSA-N 3 2 334.467 4.003 20 0 EIADLP CC(C)Oc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608076348 1038491018 /nfs/dbraw/zinc/49/10/18/1038491018.db2.gz ZJNZEFHJHKZPIR-OAQYLSRUSA-N 2 2 349.478 4.281 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000608075384 1038495116 /nfs/dbraw/zinc/49/51/16/1038495116.db2.gz VRFPHTVJDJOAOX-GOSISDBHSA-N 2 2 325.843 4.147 20 0 EIADLP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550754228 1038900661 /nfs/dbraw/zinc/90/06/61/1038900661.db2.gz RISJLTJIYDIYOO-TZIWHRDSSA-N 2 2 336.479 4.109 20 0 EIADLP COc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550754228 1038900681 /nfs/dbraw/zinc/90/06/81/1038900681.db2.gz RISJLTJIYDIYOO-TZIWHRDSSA-N 2 2 336.479 4.109 20 0 EIADLP COc1cccc(C2([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550754225 1038900880 /nfs/dbraw/zinc/90/08/80/1038900880.db2.gz RISJLTJIYDIYOO-PZJWPPBQSA-N 2 2 336.479 4.109 20 0 EIADLP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550754225 1038900886 /nfs/dbraw/zinc/90/08/86/1038900886.db2.gz RISJLTJIYDIYOO-PZJWPPBQSA-N 2 2 336.479 4.109 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168260 1038906909 /nfs/dbraw/zinc/90/69/09/1038906909.db2.gz RROJHXNBYKODEE-WTNAPCKOSA-N 2 2 331.463 4.213 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616696 1038911371 /nfs/dbraw/zinc/91/13/71/1038911371.db2.gz WCMLOBXXQLYOSZ-DOTOQJQBSA-N 2 2 329.513 4.115 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616696 1038911404 /nfs/dbraw/zinc/91/14/04/1038911404.db2.gz WCMLOBXXQLYOSZ-DOTOQJQBSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616696 1038911463 /nfs/dbraw/zinc/91/14/63/1038911463.db2.gz WCMLOBXXQLYOSZ-DOTOQJQBSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616696 1038911504 /nfs/dbraw/zinc/91/15/04/1038911504.db2.gz WCMLOBXXQLYOSZ-DOTOQJQBSA-N 2 2 329.513 4.115 20 0 EIADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCNc1cccc[nH+]1 ZINC000481640050 1039667326 /nfs/dbraw/zinc/66/73/26/1039667326.db2.gz JPGQWPFZTSLMSU-CQSZACIVSA-N 2 2 337.389 4.123 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C)ccc1OC ZINC000093396980 1039686518 /nfs/dbraw/zinc/68/65/18/1039686518.db2.gz SRKKMXJHTNXAIT-OAQYLSRUSA-N 2 2 349.478 4.489 20 0 EIADLP COc1cccc(Cl)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000514239973 1039801282 /nfs/dbraw/zinc/80/12/82/1039801282.db2.gz VDUMDLOQYQMUPD-UHFFFAOYSA-N 2 2 347.890 4.238 20 0 EIADLP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1Cl ZINC000434673227 1039806045 /nfs/dbraw/zinc/80/60/45/1039806045.db2.gz PKSKEVUADBAGBA-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP CC(C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434675935 1039808130 /nfs/dbraw/zinc/80/81/30/1039808130.db2.gz NGFAVVVSMZHQDH-UHFFFAOYSA-N 2 2 344.528 4.179 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688544 1039812658 /nfs/dbraw/zinc/81/26/58/1039812658.db2.gz NHYHLTVELCVWHO-AWEZNQCLSA-N 2 2 345.437 4.438 20 0 EIADLP Cc1cc(F)ccc1C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000430098251 1039841783 /nfs/dbraw/zinc/84/17/83/1039841783.db2.gz IKQFERSJWUSLIT-UHFFFAOYSA-N 2 2 347.503 4.032 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998808 1039942101 /nfs/dbraw/zinc/94/21/01/1039942101.db2.gz JIXBGOSKATWSSH-XZOQPEGZSA-N 2 2 349.522 4.423 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998808 1039942123 /nfs/dbraw/zinc/94/21/23/1039942123.db2.gz JIXBGOSKATWSSH-XZOQPEGZSA-N 2 2 349.522 4.423 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C(C)C)cc1 ZINC000553100971 1039987563 /nfs/dbraw/zinc/98/75/63/1039987563.db2.gz IUZVIVONDPXNCC-OAQYLSRUSA-N 2 2 335.451 4.368 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000162907838 1040125367 /nfs/dbraw/zinc/12/53/67/1040125367.db2.gz FAOICWGPGDVNRA-CQSZACIVSA-N 2 2 335.398 4.226 20 0 EIADLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000479357576 1040285916 /nfs/dbraw/zinc/28/59/16/1040285916.db2.gz JPWVSYUQARWUPL-INIZCTEOSA-N 2 2 348.288 4.048 20 0 EIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000514892801 1040317694 /nfs/dbraw/zinc/31/76/94/1040317694.db2.gz CGCXZLGACKPHLI-IRXDYDNUSA-N 2 2 331.891 4.167 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC000435437083 1040388458 /nfs/dbraw/zinc/38/84/58/1040388458.db2.gz IWWFJTZFNZROSL-HNNXBMFYSA-N 2 2 349.931 4.025 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC000435437083 1040388477 /nfs/dbraw/zinc/38/84/77/1040388477.db2.gz IWWFJTZFNZROSL-HNNXBMFYSA-N 2 2 349.931 4.025 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997109 1040412829 /nfs/dbraw/zinc/41/28/29/1040412829.db2.gz XGVBYNBTSUFPLS-ZDUSSCGKSA-N 2 2 332.797 4.123 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000482778027 1040484738 /nfs/dbraw/zinc/48/47/38/1040484738.db2.gz IYZPOEBHLVHEIV-RDTXWAMCSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000482778027 1040484750 /nfs/dbraw/zinc/48/47/50/1040484750.db2.gz IYZPOEBHLVHEIV-RDTXWAMCSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778027 1040484765 /nfs/dbraw/zinc/48/47/65/1040484765.db2.gz IYZPOEBHLVHEIV-RDTXWAMCSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778027 1040484774 /nfs/dbraw/zinc/48/47/74/1040484774.db2.gz IYZPOEBHLVHEIV-RDTXWAMCSA-N 2 2 336.907 4.043 20 0 EIADLP Cc1cc2[nH]c(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2c(C)c1 ZINC000479580243 1040490483 /nfs/dbraw/zinc/49/04/83/1040490483.db2.gz PORFLECQCUVIOK-UHFFFAOYSA-N 2 2 344.462 4.319 20 0 EIADLP Cc1ccc2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)[nH]c2c1 ZINC000668164753 1040588796 /nfs/dbraw/zinc/58/87/96/1040588796.db2.gz DJZATPRPSLNYSM-UHFFFAOYSA-N 2 2 336.483 4.365 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483136936 1040716330 /nfs/dbraw/zinc/71/63/30/1040716330.db2.gz SFXJAOLZQSIUHN-QUCCMNQESA-N 2 2 346.478 4.192 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000483141136 1040733011 /nfs/dbraw/zinc/73/30/11/1040733011.db2.gz FZBSQXSGLHQORU-RCLSDMTESA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000483141136 1040733023 /nfs/dbraw/zinc/73/30/23/1040733023.db2.gz FZBSQXSGLHQORU-RCLSDMTESA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000483255303 1040791843 /nfs/dbraw/zinc/79/18/43/1040791843.db2.gz KBBJMARAYMVUSW-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000483255303 1040791866 /nfs/dbraw/zinc/79/18/66/1040791866.db2.gz KBBJMARAYMVUSW-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255303 1040791898 /nfs/dbraw/zinc/79/18/98/1040791898.db2.gz KBBJMARAYMVUSW-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3cccc(F)c3F)o2)CC[NH+]1C ZINC000483255303 1040791911 /nfs/dbraw/zinc/79/19/11/1040791911.db2.gz KBBJMARAYMVUSW-KBPBESRZSA-N 2 2 334.410 4.139 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817862 1040811328 /nfs/dbraw/zinc/81/13/28/1040811328.db2.gz UKJVMBMRDHIVBV-HKUYNNGSSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817862 1040811333 /nfs/dbraw/zinc/81/13/33/1040811333.db2.gz UKJVMBMRDHIVBV-HKUYNNGSSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817862 1040811337 /nfs/dbraw/zinc/81/13/37/1040811337.db2.gz UKJVMBMRDHIVBV-HKUYNNGSSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817862 1040811344 /nfs/dbraw/zinc/81/13/44/1040811344.db2.gz UKJVMBMRDHIVBV-HKUYNNGSSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818830 1040812080 /nfs/dbraw/zinc/81/20/80/1040812080.db2.gz BALHBGYCQXLVHN-KBPBESRZSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818830 1040812085 /nfs/dbraw/zinc/81/20/85/1040812085.db2.gz BALHBGYCQXLVHN-KBPBESRZSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818830 1040812087 /nfs/dbraw/zinc/81/20/87/1040812087.db2.gz BALHBGYCQXLVHN-KBPBESRZSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C[C@@H]1C ZINC000539818830 1040812090 /nfs/dbraw/zinc/81/20/90/1040812090.db2.gz BALHBGYCQXLVHN-KBPBESRZSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819384 1040814458 /nfs/dbraw/zinc/81/44/58/1040814458.db2.gz CPOPROBYFOXWBJ-BLLLJJGKSA-N 2 2 345.314 4.164 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819384 1040814468 /nfs/dbraw/zinc/81/44/68/1040814468.db2.gz CPOPROBYFOXWBJ-BLLLJJGKSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819384 1040814471 /nfs/dbraw/zinc/81/44/71/1040814471.db2.gz CPOPROBYFOXWBJ-BLLLJJGKSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@@H](C)C1 ZINC000539819384 1040814474 /nfs/dbraw/zinc/81/44/74/1040814474.db2.gz CPOPROBYFOXWBJ-BLLLJJGKSA-N 2 2 345.314 4.164 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)sc1Br ZINC000552013423 1040914638 /nfs/dbraw/zinc/91/46/38/1040914638.db2.gz HNIIFJKZUOGOFR-GFCCVEGCSA-N 2 2 342.306 4.147 20 0 EIADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000462799216 1040932412 /nfs/dbraw/zinc/93/24/12/1040932412.db2.gz XAURNDCSNOHGLQ-MRXNPFEDSA-N 2 2 342.458 4.150 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721763 1040972393 /nfs/dbraw/zinc/97/23/93/1040972393.db2.gz ITQCGDZBSZDJID-GVXVVHGQSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1OC(F)F ZINC000483721763 1040972419 /nfs/dbraw/zinc/97/24/19/1040972419.db2.gz ITQCGDZBSZDJID-GVXVVHGQSA-N 2 2 332.822 4.075 20 0 EIADLP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000462836830 1041017958 /nfs/dbraw/zinc/01/79/58/1041017958.db2.gz DNWZSONLJQVGCG-VGOFRKELSA-N 2 2 335.495 4.354 20 0 EIADLP Cc1cc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)ccc1F ZINC000491284952 1041034392 /nfs/dbraw/zinc/03/43/92/1041034392.db2.gz REVUDWBETSIFGT-LJQANCHMSA-N 2 2 343.833 4.363 20 0 EIADLP COc1cc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000484160251 1041149620 /nfs/dbraw/zinc/14/96/20/1041149620.db2.gz LVZXZLMCPLGHOT-KRWDZBQOSA-N 2 2 335.451 4.083 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000484499891 1041277019 /nfs/dbraw/zinc/27/70/19/1041277019.db2.gz XFNILXVDFIFZIQ-GOSISDBHSA-N 2 2 334.891 4.160 20 0 EIADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000540262680 1041328926 /nfs/dbraw/zinc/32/89/26/1041328926.db2.gz FFWYRQNNEHKVLE-IBGZPJMESA-N 2 2 331.891 4.402 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480629419 1041432530 /nfs/dbraw/zinc/43/25/30/1041432530.db2.gz FMAFECGUGXJZFJ-HRCADAONSA-N 2 2 325.283 4.197 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480629419 1041432537 /nfs/dbraw/zinc/43/25/37/1041432537.db2.gz FMAFECGUGXJZFJ-HRCADAONSA-N 2 2 325.283 4.197 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463245267 1041451483 /nfs/dbraw/zinc/45/14/83/1041451483.db2.gz QXAAIFVKPUHPKU-WIYYLYMNSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463245267 1041451485 /nfs/dbraw/zinc/45/14/85/1041451485.db2.gz QXAAIFVKPUHPKU-WIYYLYMNSA-N 2 2 349.522 4.103 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718940 1041491223 /nfs/dbraw/zinc/49/12/23/1041491223.db2.gz XZJNJSDKMJKRPS-WMZOPIPTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718940 1041491228 /nfs/dbraw/zinc/49/12/28/1041491228.db2.gz XZJNJSDKMJKRPS-WMZOPIPTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718940 1041491233 /nfs/dbraw/zinc/49/12/33/1041491233.db2.gz XZJNJSDKMJKRPS-WMZOPIPTSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718940 1041491238 /nfs/dbraw/zinc/49/12/38/1041491238.db2.gz XZJNJSDKMJKRPS-WMZOPIPTSA-N 2 2 343.540 4.423 20 0 EIADLP CCOc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538734088 1041505761 /nfs/dbraw/zinc/50/57/61/1041505761.db2.gz XUNHWPRGBXSXFY-HXUWFJFHSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538734088 1041505769 /nfs/dbraw/zinc/50/57/69/1041505769.db2.gz XUNHWPRGBXSXFY-HXUWFJFHSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538734088 1041505779 /nfs/dbraw/zinc/50/57/79/1041505779.db2.gz XUNHWPRGBXSXFY-HXUWFJFHSA-N 2 2 338.495 4.039 20 0 EIADLP CCOc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538734088 1041505784 /nfs/dbraw/zinc/50/57/84/1041505784.db2.gz XUNHWPRGBXSXFY-HXUWFJFHSA-N 2 2 338.495 4.039 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000480750011 1041506663 /nfs/dbraw/zinc/50/66/63/1041506663.db2.gz MDHJKBCWNIAHTN-ROUUACIJSA-N 2 2 335.451 4.201 20 0 EIADLP C[N@H+](Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[NH+]3C)cc2)c1)C1CC1 ZINC000629708749 1041510862 /nfs/dbraw/zinc/51/08/62/1041510862.db2.gz PDZFIUYIETZENO-QHCPKHFHSA-N 2 2 348.490 4.284 20 0 EIADLP C[N@@H+](Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[NH+]3C)cc2)c1)C1CC1 ZINC000629708749 1041510880 /nfs/dbraw/zinc/51/08/80/1041510880.db2.gz PDZFIUYIETZENO-QHCPKHFHSA-N 2 2 348.490 4.284 20 0 EIADLP C[NH+](Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[N@@H+]3C)cc2)c1)C1CC1 ZINC000629708749 1041510890 /nfs/dbraw/zinc/51/08/90/1041510890.db2.gz PDZFIUYIETZENO-QHCPKHFHSA-N 2 2 348.490 4.284 20 0 EIADLP C[NH+](Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[N@H+]3C)cc2)c1)C1CC1 ZINC000629708749 1041510900 /nfs/dbraw/zinc/51/09/00/1041510900.db2.gz PDZFIUYIETZENO-QHCPKHFHSA-N 2 2 348.490 4.284 20 0 EIADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000538753988 1041530350 /nfs/dbraw/zinc/53/03/50/1041530350.db2.gz RVALWVPRWGLORV-SXLOBPIMSA-N 2 2 325.500 4.278 20 0 EIADLP CSC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990182 1041769377 /nfs/dbraw/zinc/76/93/77/1041769377.db2.gz FYSKMFGDIXEKNY-RCBQFDQVSA-N 2 2 346.462 4.182 20 0 EIADLP CSC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990182 1041769380 /nfs/dbraw/zinc/76/93/80/1041769380.db2.gz FYSKMFGDIXEKNY-RCBQFDQVSA-N 2 2 346.462 4.182 20 0 EIADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203088 1041844028 /nfs/dbraw/zinc/84/40/28/1041844028.db2.gz PWDWPOKNVUCLQP-INIZCTEOSA-N 2 2 338.455 4.278 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c2ccccc21 ZINC000517044781 1041851500 /nfs/dbraw/zinc/85/15/00/1041851500.db2.gz IJJGSNFHKODRKI-OAHLLOKOSA-N 2 2 337.442 4.405 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437791853 1041912189 /nfs/dbraw/zinc/91/21/89/1041912189.db2.gz HTYPVOCBVOQNKU-RCZSKKKRSA-N 2 2 337.511 4.185 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437791853 1041912201 /nfs/dbraw/zinc/91/22/01/1041912201.db2.gz HTYPVOCBVOQNKU-RCZSKKKRSA-N 2 2 337.511 4.185 20 0 EIADLP CC(C)[C@H](C[NH2+][C@H](C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000541539025 1041989721 /nfs/dbraw/zinc/98/97/21/1041989721.db2.gz VSRCCRVJSCUATQ-QAPCUYQASA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)[C@H](C[NH2+][C@H](C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000541539025 1041989728 /nfs/dbraw/zinc/98/97/28/1041989728.db2.gz VSRCCRVJSCUATQ-QAPCUYQASA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C2 ZINC000541542775 1041991203 /nfs/dbraw/zinc/99/12/03/1041991203.db2.gz FDRJKGBCTCHLAN-UWJYYQICSA-N 2 2 349.478 4.468 20 0 EIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C2 ZINC000541542774 1041991600 /nfs/dbraw/zinc/99/16/00/1041991600.db2.gz FDRJKGBCTCHLAN-UTKZUKDTSA-N 2 2 349.478 4.468 20 0 EIADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000541912699 1042168071 /nfs/dbraw/zinc/16/80/71/1042168071.db2.gz HBSLCKBLINUHKF-LJQANCHMSA-N 2 2 333.426 4.027 20 0 EIADLP COc1cccc(CCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542010438 1042230601 /nfs/dbraw/zinc/23/06/01/1042230601.db2.gz NTSAMVYCNWGDFY-QGZVFWFLSA-N 2 2 335.451 4.164 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000669932569 1042409265 /nfs/dbraw/zinc/40/92/65/1042409265.db2.gz WCEPDLPRMBGIEO-VQIMIIECSA-N 2 2 325.456 4.015 20 0 EIADLP Cc1ccc([C@H](C[NH2+]Cc2cccc3cc[nH]c32)[NH+]2CCCC2)cc1 ZINC000518280053 1042451109 /nfs/dbraw/zinc/45/11/09/1042451109.db2.gz LVBMEWPXYRDKRP-NRFANRHFSA-N 2 2 333.479 4.403 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000426294185 1042527882 /nfs/dbraw/zinc/52/78/82/1042527882.db2.gz QWCWSAYCJVPGIM-UHFFFAOYSA-N 2 2 326.459 4.455 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945620 1042722484 /nfs/dbraw/zinc/72/24/84/1042722484.db2.gz AMXDBGJNVWVNHJ-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945620 1042722492 /nfs/dbraw/zinc/72/24/92/1042722492.db2.gz AMXDBGJNVWVNHJ-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945620 1042722500 /nfs/dbraw/zinc/72/25/00/1042722500.db2.gz AMXDBGJNVWVNHJ-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000174945620 1042722507 /nfs/dbraw/zinc/72/25/07/1042722507.db2.gz AMXDBGJNVWVNHJ-HNNXBMFYSA-N 2 2 347.890 4.159 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cl ZINC000177205989 1042830786 /nfs/dbraw/zinc/83/07/86/1042830786.db2.gz NNYBODSVFOKPDN-MRXNPFEDSA-N 2 2 339.870 4.478 20 0 EIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178254883 1042862214 /nfs/dbraw/zinc/86/22/14/1042862214.db2.gz WMEOUBJFUJVOGS-CQSZACIVSA-N 2 2 336.907 4.264 20 0 EIADLP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000493929750 1042983500 /nfs/dbraw/zinc/98/35/00/1042983500.db2.gz ZPYYEKYRGAKMIE-FEPNQTLGSA-N 2 2 347.462 4.271 20 0 EIADLP C[C@@H](CCCC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110442 1043019541 /nfs/dbraw/zinc/01/95/41/1043019541.db2.gz LVCPPIVFAGLYQN-KKUMJFAQSA-N 2 2 329.410 4.279 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809322 1043040754 /nfs/dbraw/zinc/04/07/54/1043040754.db2.gz XFPMMCLJUJLCJX-KRWDZBQOSA-N 2 2 326.459 4.266 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809322 1043040760 /nfs/dbraw/zinc/04/07/60/1043040760.db2.gz XFPMMCLJUJLCJX-KRWDZBQOSA-N 2 2 326.459 4.266 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809322 1043040764 /nfs/dbraw/zinc/04/07/64/1043040764.db2.gz XFPMMCLJUJLCJX-KRWDZBQOSA-N 2 2 326.459 4.266 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507809322 1043040768 /nfs/dbraw/zinc/04/07/68/1043040768.db2.gz XFPMMCLJUJLCJX-KRWDZBQOSA-N 2 2 326.459 4.266 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811813 1043051871 /nfs/dbraw/zinc/05/18/71/1043051871.db2.gz KMWAODLZCAUNHQ-VQIMIIECSA-N 2 2 328.456 4.234 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811813 1043051884 /nfs/dbraw/zinc/05/18/84/1043051884.db2.gz KMWAODLZCAUNHQ-VQIMIIECSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811813 1043051896 /nfs/dbraw/zinc/05/18/96/1043051896.db2.gz KMWAODLZCAUNHQ-VQIMIIECSA-N 2 2 328.456 4.234 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000507811813 1043051907 /nfs/dbraw/zinc/05/19/07/1043051907.db2.gz KMWAODLZCAUNHQ-VQIMIIECSA-N 2 2 328.456 4.234 20 0 EIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269739945 1043056964 /nfs/dbraw/zinc/05/69/64/1043056964.db2.gz JRTUAZKJGULYMT-UHFFFAOYSA-N 2 2 346.356 4.361 20 0 EIADLP C[N@H+](Cc1scnc1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963638 1043092608 /nfs/dbraw/zinc/09/26/08/1043092608.db2.gz JJSWJBYSRNJTBO-UHFFFAOYSA-N 2 2 341.524 4.117 20 0 EIADLP C[N@@H+](Cc1scnc1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963638 1043092623 /nfs/dbraw/zinc/09/26/23/1043092623.db2.gz JJSWJBYSRNJTBO-UHFFFAOYSA-N 2 2 341.524 4.117 20 0 EIADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427855593 1043228275 /nfs/dbraw/zinc/22/82/75/1043228275.db2.gz LGEKCCNKRLPWQA-ZWKOTPCHSA-N 2 2 331.891 4.098 20 0 EIADLP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856012 1043228739 /nfs/dbraw/zinc/22/87/39/1043228739.db2.gz UVMXUMOVTQMWGQ-ZWKOTPCHSA-N 2 2 331.891 4.098 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2F)s1 ZINC000427877062 1043235067 /nfs/dbraw/zinc/23/50/67/1043235067.db2.gz NMKOSEPUEHNPHZ-UONOGXRCSA-N 2 2 341.455 4.416 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2F)s1 ZINC000427877064 1043235820 /nfs/dbraw/zinc/23/58/20/1043235820.db2.gz NMKOSEPUEHNPHZ-ZIAGYGMSSA-N 2 2 341.455 4.416 20 0 EIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427859691 1043237815 /nfs/dbraw/zinc/23/78/15/1043237815.db2.gz OZKCKFZZBXREFR-CABCVRRESA-N 2 2 335.904 4.012 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1)CC2 ZINC000427868510 1043241348 /nfs/dbraw/zinc/24/13/48/1043241348.db2.gz QQMMUZCNJXEFRC-SFTDATJTSA-N 2 2 331.463 4.162 20 0 EIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1)CC2 ZINC000427868509 1043241441 /nfs/dbraw/zinc/24/14/41/1043241441.db2.gz QQMMUZCNJXEFRC-RTWAWAEBSA-N 2 2 331.463 4.162 20 0 EIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000427870004 1043241742 /nfs/dbraw/zinc/24/17/42/1043241742.db2.gz UDINMGDJZGTFHT-YADHBBJMSA-N 2 2 345.490 4.388 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000427895178 1043254950 /nfs/dbraw/zinc/25/49/50/1043254950.db2.gz SCEBPNHOORWUET-UYAOXDASSA-N 2 2 335.451 4.101 20 0 EIADLP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc(C3CCCCC3)s2)c[nH+]1 ZINC000527358180 1043257919 /nfs/dbraw/zinc/25/79/19/1043257919.db2.gz XFHLEOQNWIYGIT-INIZCTEOSA-N 2 2 330.501 4.052 20 0 EIADLP c1cn(C[C@@H]2CCC[N@H+]2Cc2cnc(C3CCCCC3)s2)c[nH+]1 ZINC000527358180 1043257926 /nfs/dbraw/zinc/25/79/26/1043257926.db2.gz XFHLEOQNWIYGIT-INIZCTEOSA-N 2 2 330.501 4.052 20 0 EIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766189698 1043398915 /nfs/dbraw/zinc/39/89/15/1043398915.db2.gz HGZGEOSTWQHLAF-GOSISDBHSA-N 2 2 329.532 4.446 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000165985109 1043411193 /nfs/dbraw/zinc/41/11/93/1043411193.db2.gz IUGVXLXLOZMACR-WMZOPIPTSA-N 2 2 332.513 4.108 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000165985109 1043411199 /nfs/dbraw/zinc/41/11/99/1043411199.db2.gz IUGVXLXLOZMACR-WMZOPIPTSA-N 2 2 332.513 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012491 1043426680 /nfs/dbraw/zinc/42/66/80/1043426680.db2.gz AYAKYTCIHACSGO-CWPLJXCYSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012491 1043426685 /nfs/dbraw/zinc/42/66/85/1043426685.db2.gz AYAKYTCIHACSGO-CWPLJXCYSA-N 2 2 343.902 4.266 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000494409705 1043468071 /nfs/dbraw/zinc/46/80/71/1043468071.db2.gz GZPLESFDXWKLSZ-KRWDZBQOSA-N 2 2 344.462 4.116 20 0 EIADLP Clc1cccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000494426555 1043476057 /nfs/dbraw/zinc/47/60/57/1043476057.db2.gz QDZBYOZEAOBGHR-HNNXBMFYSA-N 2 2 343.883 4.370 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494427267 1043476704 /nfs/dbraw/zinc/47/67/04/1043476704.db2.gz RQTDEMDYHINQKJ-HNNXBMFYSA-N 2 2 343.883 4.370 20 0 EIADLP Fc1ccccc1SCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060099 1043700230 /nfs/dbraw/zinc/70/02/30/1043700230.db2.gz WBCIIPWFNKOQTA-UHFFFAOYSA-N 2 2 347.503 4.307 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000521318441 1043709268 /nfs/dbraw/zinc/70/92/68/1043709268.db2.gz ZRXHJFNPBDQXDO-NZQKXSOJSA-N 2 2 345.490 4.432 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000190839470 1043744357 /nfs/dbraw/zinc/74/43/57/1043744357.db2.gz KMWUROPCAVVJKZ-UHFFFAOYSA-N 2 2 349.400 4.167 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1csc(Cl)c1 ZINC000191165446 1043790968 /nfs/dbraw/zinc/79/09/68/1043790968.db2.gz NIXQJNIWRXUUDQ-ZDUSSCGKSA-N 2 2 331.872 4.497 20 0 EIADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001168466978 1043822450 /nfs/dbraw/zinc/82/24/50/1043822450.db2.gz IMIUGQXAURFOPP-GCJKJVERSA-N 2 2 340.486 4.053 20 0 EIADLP Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1Br ZINC000191540543 1043824105 /nfs/dbraw/zinc/82/41/05/1043824105.db2.gz RJVGHPRNUITSKU-UHFFFAOYSA-N 2 2 339.321 4.110 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(O)c2)c(C)c1 ZINC000442869506 1043869897 /nfs/dbraw/zinc/86/98/97/1043869897.db2.gz BKONAGMWZZFCMP-DYESRHJHSA-N 2 2 335.451 4.298 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1F ZINC000192148540 1043881861 /nfs/dbraw/zinc/88/18/61/1043881861.db2.gz SMYYCIHTEZFVBQ-OAHLLOKOSA-N 2 2 339.414 4.179 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000542494350 1043940956 /nfs/dbraw/zinc/94/09/56/1043940956.db2.gz LXLQVWGNTUTHEF-RXVVDRJESA-N 2 2 326.484 4.327 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000542494350 1043940970 /nfs/dbraw/zinc/94/09/70/1043940970.db2.gz LXLQVWGNTUTHEF-RXVVDRJESA-N 2 2 326.484 4.327 20 0 EIADLP Clc1csc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000193002442 1043989984 /nfs/dbraw/zinc/98/99/84/1043989984.db2.gz JNRBNYQMSGGPGM-UHFFFAOYSA-N 2 2 334.916 4.198 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000658195929 1044017963 /nfs/dbraw/zinc/01/79/63/1044017963.db2.gz PSZPHERDNSLCQQ-UKRRQHHQSA-N 2 2 325.378 4.025 20 0 EIADLP CCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000443099655 1044030134 /nfs/dbraw/zinc/03/01/34/1044030134.db2.gz BIZOUDQIDGFRMM-MSOLQXFVSA-N 2 2 344.528 4.237 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319739 1044306804 /nfs/dbraw/zinc/30/68/04/1044306804.db2.gz HPZXZWLMOSJRDP-FUHWJXTLSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319739 1044306812 /nfs/dbraw/zinc/30/68/12/1044306812.db2.gz HPZXZWLMOSJRDP-FUHWJXTLSA-N 2 2 341.524 4.096 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168018854 1044334907 /nfs/dbraw/zinc/33/49/07/1044334907.db2.gz FUNXSTFNPBQHMD-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168018854 1044334924 /nfs/dbraw/zinc/33/49/24/1044334924.db2.gz FUNXSTFNPBQHMD-RCLSDMTESA-N 2 2 337.511 4.482 20 0 EIADLP Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191190 1044397722 /nfs/dbraw/zinc/39/77/22/1044397722.db2.gz LBICNKRNNCQOPE-HSZRJFAPSA-N 2 2 349.522 4.307 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675809776 1044510970 /nfs/dbraw/zinc/51/09/70/1044510970.db2.gz MMYLJFZFSWNUDO-HFTRVMKXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675809776 1044510985 /nfs/dbraw/zinc/51/09/85/1044510985.db2.gz MMYLJFZFSWNUDO-HFTRVMKXSA-N 2 2 329.513 4.013 20 0 EIADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921137 1044562706 /nfs/dbraw/zinc/56/27/06/1044562706.db2.gz VXDQEXYEIVDSQX-RXVVDRJESA-N 2 2 333.479 4.315 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OC)cc1 ZINC000675922681 1044564644 /nfs/dbraw/zinc/56/46/44/1044564644.db2.gz PWVQBFZYXAVEHA-RTWAWAEBSA-N 2 2 349.478 4.453 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924335 1044567786 /nfs/dbraw/zinc/56/77/86/1044567786.db2.gz XOVXHTGTIHLTAD-XLIONFOSSA-N 2 2 349.478 4.372 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000675923056 1044567914 /nfs/dbraw/zinc/56/79/14/1044567914.db2.gz RGWKDWXGLVZMFC-VQTJNVASSA-N 2 2 335.426 4.120 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)[nH]1 ZINC000495001092 1044580378 /nfs/dbraw/zinc/58/03/78/1044580378.db2.gz WIPOWFUSJZEFBP-SFHVURJKSA-N 2 2 335.451 4.211 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)[nH]1 ZINC000495001092 1044580397 /nfs/dbraw/zinc/58/03/97/1044580397.db2.gz WIPOWFUSJZEFBP-SFHVURJKSA-N 2 2 335.451 4.211 20 0 EIADLP C[C@@H]1CC([NH2+]C2(c3cccnc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024770 1044640181 /nfs/dbraw/zinc/64/01/81/1044640181.db2.gz ISEORAMIGPPDGC-QZTJIDSGSA-N 2 2 335.495 4.102 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000676568941 1044794196 /nfs/dbraw/zinc/79/41/96/1044794196.db2.gz PAZIQYPATHRTJD-IBGZPJMESA-N 2 2 331.419 4.240 20 0 EIADLP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000676643379 1044812978 /nfs/dbraw/zinc/81/29/78/1044812978.db2.gz JSXNHMPVVBNPTM-GOSISDBHSA-N 2 2 337.511 4.349 20 0 EIADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CCSCC3)c(C)c2)CC1 ZINC000474387771 1044907643 /nfs/dbraw/zinc/90/76/43/1044907643.db2.gz HWUWWTRCJQBSRT-QGZVFWFLSA-N 2 2 347.572 4.081 20 0 EIADLP CC(C)[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000474467234 1045019272 /nfs/dbraw/zinc/01/92/72/1045019272.db2.gz BDSIKPAVEHNVME-QFIPXVFZSA-N 2 2 333.479 4.461 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000474479564 1045021482 /nfs/dbraw/zinc/02/14/82/1045021482.db2.gz YFBHHQZIWDXNKF-XHSDSOJGSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000474479564 1045021496 /nfs/dbraw/zinc/02/14/96/1045021496.db2.gz YFBHHQZIWDXNKF-XHSDSOJGSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H]1CCCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766231138 1045029629 /nfs/dbraw/zinc/02/96/29/1045029629.db2.gz WSRNZXDMJBFCGV-LAUBAEHRSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766231137 1045030127 /nfs/dbraw/zinc/03/01/27/1045030127.db2.gz WSRNZXDMJBFCGV-DYESRHJHSA-N 2 2 329.532 4.280 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)oc1C ZINC000282416855 1045136482 /nfs/dbraw/zinc/13/64/82/1045136482.db2.gz YKMRVVIXGAGAMG-CYBMUJFWSA-N 2 2 327.403 4.380 20 0 EIADLP CCCCc1noc([C@@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062260 1045165709 /nfs/dbraw/zinc/16/57/09/1045165709.db2.gz MXYXMYUQCJVJQE-MRXNPFEDSA-N 2 2 344.503 4.057 20 0 EIADLP CCCCc1noc([C@@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062260 1045165721 /nfs/dbraw/zinc/16/57/21/1045165721.db2.gz MXYXMYUQCJVJQE-MRXNPFEDSA-N 2 2 344.503 4.057 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000550796998 1045211795 /nfs/dbraw/zinc/21/17/95/1045211795.db2.gz IVZANWZBRQSDOL-AHRSYUTCSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@H]1c1ccccc1 ZINC000550796998 1045211804 /nfs/dbraw/zinc/21/18/04/1045211804.db2.gz IVZANWZBRQSDOL-AHRSYUTCSA-N 2 2 340.442 4.074 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487275739 1045223852 /nfs/dbraw/zinc/22/38/52/1045223852.db2.gz PWZHCAKAAXRYKX-OAHLLOKOSA-N 2 2 341.524 4.336 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000487304840 1045225217 /nfs/dbraw/zinc/22/52/17/1045225217.db2.gz AXWOOCZIDYKDKT-MAUKXSAKSA-N 2 2 341.524 4.163 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000487304840 1045225226 /nfs/dbraw/zinc/22/52/26/1045225226.db2.gz AXWOOCZIDYKDKT-MAUKXSAKSA-N 2 2 341.524 4.163 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000236638843 1045362006 /nfs/dbraw/zinc/36/20/06/1045362006.db2.gz UZBBCOUXILWQKX-UHFFFAOYSA-N 2 2 332.460 4.088 20 0 EIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCCO2 ZINC000768102097 1045715985 /nfs/dbraw/zinc/71/59/85/1045715985.db2.gz NRPDBINWNNZYCX-LJQANCHMSA-N 2 2 339.483 4.340 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1N1CCCC1 ZINC000072981816 1045801434 /nfs/dbraw/zinc/80/14/34/1045801434.db2.gz QTOJRZVIXRQIHA-UHFFFAOYSA-N 2 2 346.478 4.105 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1N1CCCC1 ZINC000072981816 1045801441 /nfs/dbraw/zinc/80/14/41/1045801441.db2.gz QTOJRZVIXRQIHA-UHFFFAOYSA-N 2 2 346.478 4.105 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000246466407 1045810624 /nfs/dbraw/zinc/81/06/24/1045810624.db2.gz QFNZQKWVWZUSKT-YVHKJVDXSA-N 2 2 335.495 4.130 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC001170206850 1045925750 /nfs/dbraw/zinc/92/57/50/1045925750.db2.gz YKFNMKUOCIYYOS-JOCHJYFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1F ZINC001170206850 1045925763 /nfs/dbraw/zinc/92/57/63/1045925763.db2.gz YKFNMKUOCIYYOS-JOCHJYFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC001170206850 1045925779 /nfs/dbraw/zinc/92/57/79/1045925779.db2.gz YKFNMKUOCIYYOS-JOCHJYFZSA-N 2 2 338.470 4.232 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1F ZINC001170206850 1045925794 /nfs/dbraw/zinc/92/57/94/1045925794.db2.gz YKFNMKUOCIYYOS-JOCHJYFZSA-N 2 2 338.470 4.232 20 0 EIADLP C[C@H](Cc1ccccc1Cl)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001170263651 1045962580 /nfs/dbraw/zinc/96/25/80/1045962580.db2.gz NNUNCKUUBZKIRS-CQSZACIVSA-N 2 2 325.843 4.466 20 0 EIADLP Cc1ccc(N([C@@H](C)Cc2ccccc2Cl)C2CC[NH2+]CC2)[nH+]c1 ZINC001170295493 1045980390 /nfs/dbraw/zinc/98/03/90/1045980390.db2.gz UHINNAVPPQGAOT-INIZCTEOSA-N 2 2 343.902 4.233 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469596 1045985480 /nfs/dbraw/zinc/98/54/80/1045985480.db2.gz AYYOBWTXISBHFA-OLZOCXBDSA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469596 1045985505 /nfs/dbraw/zinc/98/55/05/1045985505.db2.gz AYYOBWTXISBHFA-OLZOCXBDSA-N 2 2 332.460 4.040 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469596 1045985463 /nfs/dbraw/zinc/98/54/63/1045985463.db2.gz AYYOBWTXISBHFA-OLZOCXBDSA-N 2 2 332.460 4.040 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)C[C@H]1C ZINC000769469596 1045985493 /nfs/dbraw/zinc/98/54/93/1045985493.db2.gz AYYOBWTXISBHFA-OLZOCXBDSA-N 2 2 332.460 4.040 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000508673956 1046068951 /nfs/dbraw/zinc/06/89/51/1046068951.db2.gz AJMHMPSKBAPDOM-AWEZNQCLSA-N 2 2 343.858 4.274 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000508673956 1046068965 /nfs/dbraw/zinc/06/89/65/1046068965.db2.gz AJMHMPSKBAPDOM-AWEZNQCLSA-N 2 2 343.858 4.274 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000769871453 1046100663 /nfs/dbraw/zinc/10/06/63/1046100663.db2.gz GVAZCNZNVJPXPN-GDBMZVCRSA-N 2 2 347.528 4.170 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769871453 1046100658 /nfs/dbraw/zinc/10/06/58/1046100658.db2.gz GVAZCNZNVJPXPN-GDBMZVCRSA-N 2 2 347.528 4.170 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658961 1046622578 /nfs/dbraw/zinc/62/25/78/1046622578.db2.gz WYTMBNIQZPCRSL-SWLSCSKDSA-N 2 2 346.849 4.104 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658961 1046622589 /nfs/dbraw/zinc/62/25/89/1046622589.db2.gz WYTMBNIQZPCRSL-SWLSCSKDSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658961 1046622598 /nfs/dbraw/zinc/62/25/98/1046622598.db2.gz WYTMBNIQZPCRSL-SWLSCSKDSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000536658961 1046622613 /nfs/dbraw/zinc/62/26/13/1046622613.db2.gz WYTMBNIQZPCRSL-SWLSCSKDSA-N 2 2 346.849 4.104 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661017 1046628193 /nfs/dbraw/zinc/62/81/93/1046628193.db2.gz VBTAQFGTOSWVRH-BBRMVZONSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661017 1046628198 /nfs/dbraw/zinc/62/81/98/1046628198.db2.gz VBTAQFGTOSWVRH-BBRMVZONSA-N 2 2 335.542 4.034 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459449971 1046681802 /nfs/dbraw/zinc/68/18/02/1046681802.db2.gz NSDNZLYTTCSPCK-QGZVFWFLSA-N 2 2 335.495 4.274 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000379652914 1046747185 /nfs/dbraw/zinc/74/71/85/1046747185.db2.gz YJEBSOYWXWRQHP-WIYYLYMNSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000379652914 1046747200 /nfs/dbraw/zinc/74/72/00/1046747200.db2.gz YJEBSOYWXWRQHP-WIYYLYMNSA-N 2 2 345.490 4.378 20 0 EIADLP c1csc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)c1 ZINC000536770441 1046766975 /nfs/dbraw/zinc/76/69/75/1046766975.db2.gz FNURRBXFZGGZNG-IBGZPJMESA-N 2 2 329.513 4.345 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1nc2c(s1)CCC2 ZINC000459644612 1046832632 /nfs/dbraw/zinc/83/26/32/1046832632.db2.gz FHXUXMRUBCVRCB-RVKKMQEKSA-N 2 2 347.572 4.326 20 0 EIADLP CCc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C(C)C)cc1 ZINC000536962470 1046870786 /nfs/dbraw/zinc/87/07/86/1046870786.db2.gz QEBPLQYZOHTVJP-OAQYLSRUSA-N 2 2 325.500 4.311 20 0 EIADLP Fc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000536955835 1046878319 /nfs/dbraw/zinc/87/83/19/1046878319.db2.gz RTSCRYFJCMYWAS-OAQYLSRUSA-N 2 2 335.426 4.311 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000537107667 1046956235 /nfs/dbraw/zinc/95/62/35/1046956235.db2.gz KWOMOTRDFONXEY-IBGZPJMESA-N 2 2 325.843 4.110 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000537455068 1047243362 /nfs/dbraw/zinc/24/33/62/1047243362.db2.gz BAGBZEKHSSPBGN-HOCLYGCPSA-N 2 2 344.890 4.048 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000788989032 1047345600 /nfs/dbraw/zinc/34/56/00/1047345600.db2.gz UFXDSHAYSKMUQL-RTBURBONSA-N 2 2 341.499 4.319 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cn2ccccc2n1 ZINC000556236313 1047602651 /nfs/dbraw/zinc/60/26/51/1047602651.db2.gz QDCHYVBMDQTASQ-QZTJIDSGSA-N 2 2 348.494 4.211 20 0 EIADLP C[N@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608678 1047757962 /nfs/dbraw/zinc/75/79/62/1047757962.db2.gz LGJMVKAZCANWIW-IRLDBZIGSA-N 3 2 343.559 4.066 20 0 EIADLP C[N@@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608678 1047757967 /nfs/dbraw/zinc/75/79/67/1047757967.db2.gz LGJMVKAZCANWIW-IRLDBZIGSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608678 1047757974 /nfs/dbraw/zinc/75/79/74/1047757974.db2.gz LGJMVKAZCANWIW-IRLDBZIGSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608678 1047757984 /nfs/dbraw/zinc/75/79/84/1047757984.db2.gz LGJMVKAZCANWIW-IRLDBZIGSA-N 3 2 343.559 4.066 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550681081 1047814524 /nfs/dbraw/zinc/81/45/24/1047814524.db2.gz UCEXDJJRBNXPSP-RTWAWAEBSA-N 2 2 338.495 4.319 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550681081 1047814525 /nfs/dbraw/zinc/81/45/25/1047814525.db2.gz UCEXDJJRBNXPSP-RTWAWAEBSA-N 2 2 338.495 4.319 20 0 EIADLP CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000824903207 1047983159 /nfs/dbraw/zinc/98/31/59/1047983159.db2.gz BLSFRINTGUUMEF-KRWDZBQOSA-N 2 2 345.531 4.168 20 0 EIADLP Clc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)[C@@H](c1ccccc1)C2 ZINC000499052335 1048107721 /nfs/dbraw/zinc/10/77/21/1048107721.db2.gz BKUYEPLUXQYYNQ-HXUWFJFHSA-N 2 2 337.854 4.336 20 0 EIADLP Clc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)[C@@H](c1ccccc1)C2 ZINC000499052335 1048107724 /nfs/dbraw/zinc/10/77/24/1048107724.db2.gz BKUYEPLUXQYYNQ-HXUWFJFHSA-N 2 2 337.854 4.336 20 0 EIADLP C[N@H+](Cc1ccc(-n2cccc2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144252778 1048541434 /nfs/dbraw/zinc/54/14/34/1048541434.db2.gz WXOWGPVNFQTPHG-UHFFFAOYSA-N 2 2 342.446 4.295 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cccc2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144252778 1048541448 /nfs/dbraw/zinc/54/14/48/1048541448.db2.gz WXOWGPVNFQTPHG-UHFFFAOYSA-N 2 2 342.446 4.295 20 0 EIADLP C[NH+](C)[C@H](CNc1cccn2cc[nH+]c12)c1ccc(Cl)cc1Cl ZINC001170589937 1048565772 /nfs/dbraw/zinc/56/57/72/1048565772.db2.gz QITPVRPAWXPEPW-MRXNPFEDSA-N 2 2 349.265 4.356 20 0 EIADLP C[NH+](C)[C@H](CNc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1Cl ZINC001170590498 1048583116 /nfs/dbraw/zinc/58/31/16/1048583116.db2.gz VCEYWUNFXGZOMQ-MRXNPFEDSA-N 2 2 349.265 4.356 20 0 EIADLP Clc1ncccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810178713 1048669277 /nfs/dbraw/zinc/66/92/77/1048669277.db2.gz YUTNICHYVKOBRG-GOSISDBHSA-N 2 2 343.902 4.127 20 0 EIADLP Clc1ncccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810178713 1048669281 /nfs/dbraw/zinc/66/92/81/1048669281.db2.gz YUTNICHYVKOBRG-GOSISDBHSA-N 2 2 343.902 4.127 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000237073797 1048883808 /nfs/dbraw/zinc/88/38/08/1048883808.db2.gz SRBTUBIDTROMJJ-NRFANRHFSA-N 2 2 340.536 4.400 20 0 EIADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000564330971 1049075700 /nfs/dbraw/zinc/07/57/00/1049075700.db2.gz UWCURCFCGQFDJX-VXKWHMMOSA-N 2 2 349.453 4.496 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000812835363 1049603390 /nfs/dbraw/zinc/60/33/90/1049603390.db2.gz QNZWJSKQQPRDJR-YADHBBJMSA-N 2 2 341.543 4.280 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000812845168 1049608148 /nfs/dbraw/zinc/60/81/48/1049608148.db2.gz YDOHOTABSBAHOW-GOSISDBHSA-N 2 2 329.532 4.280 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)c(F)cc3C2)c1 ZINC001171474313 1049729578 /nfs/dbraw/zinc/72/95/78/1049729578.db2.gz VKMXOTHLGSNVCC-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC001171619483 1049766665 /nfs/dbraw/zinc/76/66/65/1049766665.db2.gz MFJYQMUEQVMZKV-HXUWFJFHSA-N 2 2 337.511 4.412 20 0 EIADLP [NH3+]CCc1[nH+]ccn1C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644912 1049770044 /nfs/dbraw/zinc/77/00/44/1049770044.db2.gz ULEMMAYEJSICER-UHFFFAOYSA-N 2 2 348.288 4.046 20 0 EIADLP CC[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)C1 ZINC000245609701 1049797847 /nfs/dbraw/zinc/79/78/47/1049797847.db2.gz UNCFTADKSSJWGG-JXFKEZNVSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)C1 ZINC000245609701 1049797861 /nfs/dbraw/zinc/79/78/61/1049797861.db2.gz UNCFTADKSSJWGG-JXFKEZNVSA-N 2 2 338.499 4.029 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245663475 1049816413 /nfs/dbraw/zinc/81/64/13/1049816413.db2.gz GOQVRIGBIBIAOW-RDTXWAMCSA-N 2 2 340.496 4.130 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245663475 1049816415 /nfs/dbraw/zinc/81/64/15/1049816415.db2.gz GOQVRIGBIBIAOW-RDTXWAMCSA-N 2 2 340.496 4.130 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171963755 1049825540 /nfs/dbraw/zinc/82/55/40/1049825540.db2.gz FEOHVVPYQAVVOF-IBGZPJMESA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC001171963755 1049825543 /nfs/dbraw/zinc/82/55/43/1049825543.db2.gz FEOHVVPYQAVVOF-IBGZPJMESA-N 2 2 344.449 4.498 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692656 1049830999 /nfs/dbraw/zinc/83/09/99/1049830999.db2.gz QLLIYAYUFKRJRM-KDOFPFPSSA-N 2 2 332.538 4.241 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692656 1049831001 /nfs/dbraw/zinc/83/10/01/1049831001.db2.gz QLLIYAYUFKRJRM-KDOFPFPSSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692656 1049831005 /nfs/dbraw/zinc/83/10/05/1049831005.db2.gz QLLIYAYUFKRJRM-KDOFPFPSSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245692656 1049831008 /nfs/dbraw/zinc/83/10/08/1049831008.db2.gz QLLIYAYUFKRJRM-KDOFPFPSSA-N 2 2 332.538 4.241 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001171971381 1049834639 /nfs/dbraw/zinc/83/46/39/1049834639.db2.gz HOHHOUQWKPYNCL-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171971381 1049834644 /nfs/dbraw/zinc/83/46/44/1049834644.db2.gz HOHHOUQWKPYNCL-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171977071 1049836830 /nfs/dbraw/zinc/83/68/30/1049836830.db2.gz WTKJDFALBKPKRZ-SFHVURJKSA-N 2 2 342.458 4.064 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171977071 1049836835 /nfs/dbraw/zinc/83/68/35/1049836835.db2.gz WTKJDFALBKPKRZ-SFHVURJKSA-N 2 2 342.458 4.064 20 0 EIADLP CC(C)=CCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818808 1049896560 /nfs/dbraw/zinc/89/65/60/1049896560.db2.gz JONJLGRIWBRQBD-OAHLLOKOSA-N 2 2 326.444 4.287 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172572803 1049941065 /nfs/dbraw/zinc/94/10/65/1049941065.db2.gz LQECDPNUQOEXRP-YVEFUNNKSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172572803 1049941069 /nfs/dbraw/zinc/94/10/69/1049941069.db2.gz LQECDPNUQOEXRP-YVEFUNNKSA-N 2 2 330.850 4.013 20 0 EIADLP c1ccc([C@@H]2CCC[C@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C2)cc1 ZINC001172548779 1049948090 /nfs/dbraw/zinc/94/80/90/1049948090.db2.gz IPFMTNSBBSJPFQ-CTNGQTDRSA-N 2 2 335.495 4.366 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723122 1049965752 /nfs/dbraw/zinc/96/57/52/1049965752.db2.gz OIGKTNYYXYWAII-FQEVSTJZSA-N 2 2 332.919 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723122 1049965756 /nfs/dbraw/zinc/96/57/56/1049965756.db2.gz OIGKTNYYXYWAII-FQEVSTJZSA-N 2 2 332.919 4.146 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000246451786 1049975602 /nfs/dbraw/zinc/97/56/02/1049975602.db2.gz PFTKNSDQNALLFB-YLJYHZDGSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000246451786 1049975607 /nfs/dbraw/zinc/97/56/07/1049975607.db2.gz PFTKNSDQNALLFB-YLJYHZDGSA-N 2 2 329.532 4.098 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246940932 1050006469 /nfs/dbraw/zinc/00/64/69/1050006469.db2.gz HQWWCOATECSGQT-JTJHWIPRSA-N 2 2 329.532 4.096 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246940932 1050006474 /nfs/dbraw/zinc/00/64/74/1050006474.db2.gz HQWWCOATECSGQT-JTJHWIPRSA-N 2 2 329.532 4.096 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC001177429224 1050217024 /nfs/dbraw/zinc/21/70/24/1050217024.db2.gz SVQZKZCYAVNQJQ-ASNKMWSDSA-N 2 2 338.442 4.155 20 0 EIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000091283959 1050246356 /nfs/dbraw/zinc/24/63/56/1050246356.db2.gz LBQCDTUSCCXMQD-JOCHJYFZSA-N 2 2 331.463 4.481 20 0 EIADLP CCCOC1CCC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173096840 1050287600 /nfs/dbraw/zinc/28/76/00/1050287600.db2.gz DDFVGAZLYVADAZ-UHFFFAOYSA-N 2 2 344.543 4.321 20 0 EIADLP CCCOC1CCC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173096840 1050287603 /nfs/dbraw/zinc/28/76/03/1050287603.db2.gz DDFVGAZLYVADAZ-UHFFFAOYSA-N 2 2 344.543 4.321 20 0 EIADLP Cc1ccccc1[C@@H]([C@H](C)Nc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001186381669 1050316097 /nfs/dbraw/zinc/31/60/97/1050316097.db2.gz XGSXJQNKPYGFOQ-MGPUTAFESA-N 2 2 338.499 4.076 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC001177936172 1050341684 /nfs/dbraw/zinc/34/16/84/1050341684.db2.gz DBUUTRFQKRVSFC-UHFFFAOYSA-N 2 2 343.377 4.212 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001173263850 1050388584 /nfs/dbraw/zinc/38/85/84/1050388584.db2.gz XAUAEHVGKWWTOD-NJDAHSKKSA-N 2 2 329.532 4.050 20 0 EIADLP CCc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccccc3F)CC2)cc1 ZINC001173241594 1050397886 /nfs/dbraw/zinc/39/78/86/1050397886.db2.gz OLIXXOAAXWYPHG-KRWDZBQOSA-N 2 2 340.486 4.269 20 0 EIADLP CCSC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001173305009 1050401579 /nfs/dbraw/zinc/40/15/79/1050401579.db2.gz HDMJBDYVXCRSOO-AWEZNQCLSA-N 2 2 341.480 4.135 20 0 EIADLP C[C@@H]1CCc2nc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)sc2C1 ZINC001178528808 1050493016 /nfs/dbraw/zinc/49/30/16/1050493016.db2.gz QHCJZPSUSIRBJY-MRXNPFEDSA-N 2 2 349.588 4.402 20 0 EIADLP CCc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC001178653926 1050524095 /nfs/dbraw/zinc/52/40/95/1050524095.db2.gz DTVMRDIRZFQXJL-UHFFFAOYSA-N 2 2 343.540 4.227 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000093604623 1050641018 /nfs/dbraw/zinc/64/10/18/1050641018.db2.gz DJIQEVDJXKTZQV-KRWDZBQOSA-N 2 2 341.524 4.036 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000093604623 1050641030 /nfs/dbraw/zinc/64/10/30/1050641030.db2.gz DJIQEVDJXKTZQV-KRWDZBQOSA-N 2 2 341.524 4.036 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093693476 1050664007 /nfs/dbraw/zinc/66/40/07/1050664007.db2.gz XZTMBHDLNRYLAO-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093693476 1050664017 /nfs/dbraw/zinc/66/40/17/1050664017.db2.gz XZTMBHDLNRYLAO-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438571 1050691793 /nfs/dbraw/zinc/69/17/93/1050691793.db2.gz XAKFRSDNCXGUGV-KNQAVFIVSA-N 2 2 333.479 4.483 20 0 EIADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001179730280 1050763304 /nfs/dbraw/zinc/76/33/04/1050763304.db2.gz VDDRUFUGXLJKSB-HXUWFJFHSA-N 2 2 344.449 4.171 20 0 EIADLP C[N@H+]1CCCC[C@@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001179730280 1050763319 /nfs/dbraw/zinc/76/33/19/1050763319.db2.gz VDDRUFUGXLJKSB-HXUWFJFHSA-N 2 2 344.449 4.171 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@H]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001179816801 1050786115 /nfs/dbraw/zinc/78/61/15/1050786115.db2.gz NUSAOKGVRUBSOP-HKBOAZHASA-N 2 2 326.528 4.455 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@H]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001179816801 1050786126 /nfs/dbraw/zinc/78/61/26/1050786126.db2.gz NUSAOKGVRUBSOP-HKBOAZHASA-N 2 2 326.528 4.455 20 0 EIADLP CCCc1[nH+]ccn1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001188987723 1050878153 /nfs/dbraw/zinc/87/81/53/1050878153.db2.gz BYTHSAFRCVSDRK-UHFFFAOYSA-N 2 2 325.500 4.180 20 0 EIADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191071767 1051341126 /nfs/dbraw/zinc/34/11/26/1051341126.db2.gz ZKWXQURGYVTWNH-OAHLLOKOSA-N 2 2 341.326 4.344 20 0 EIADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191071767 1051341138 /nfs/dbraw/zinc/34/11/38/1051341138.db2.gz ZKWXQURGYVTWNH-OAHLLOKOSA-N 2 2 341.326 4.344 20 0 EIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000155672251 1051445094 /nfs/dbraw/zinc/44/50/94/1051445094.db2.gz JUHBDRAFXWPKNY-HNNXBMFYSA-N 2 2 325.387 4.165 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520626 1051472149 /nfs/dbraw/zinc/47/21/49/1051472149.db2.gz IWQNFUSUYCWVCY-GGAORHGYSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520626 1051472159 /nfs/dbraw/zinc/47/21/59/1051472159.db2.gz IWQNFUSUYCWVCY-GGAORHGYSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001191520626 1051472171 /nfs/dbraw/zinc/47/21/71/1051472171.db2.gz IWQNFUSUYCWVCY-GGAORHGYSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001191520626 1051472181 /nfs/dbraw/zinc/47/21/81/1051472181.db2.gz IWQNFUSUYCWVCY-GGAORHGYSA-N 2 2 349.522 4.185 20 0 EIADLP c1cc(C[NH+]2CCCCC2)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350789 1051541014 /nfs/dbraw/zinc/54/10/14/1051541014.db2.gz CDIZKONZTWADMZ-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)[nH+]1 ZINC001192043309 1051619884 /nfs/dbraw/zinc/61/98/84/1051619884.db2.gz RJONMGUOUNYYMI-HNNXBMFYSA-N 2 2 333.838 4.259 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c(F)c2)[nH+]1 ZINC001192043309 1051619892 /nfs/dbraw/zinc/61/98/92/1051619892.db2.gz RJONMGUOUNYYMI-HNNXBMFYSA-N 2 2 333.838 4.259 20 0 EIADLP c1cn(-c2ccccc2NC2=CC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001175505386 1051637420 /nfs/dbraw/zinc/63/74/20/1051637420.db2.gz OGRKOPCJJBCERH-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2ccccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001175505386 1051637434 /nfs/dbraw/zinc/63/74/34/1051637434.db2.gz OGRKOPCJJBCERH-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001175700432 1051707275 /nfs/dbraw/zinc/70/72/75/1051707275.db2.gz YFSHHYJJAYEUDA-SFHVURJKSA-N 2 2 329.513 4.144 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC001175700432 1051707295 /nfs/dbraw/zinc/70/72/95/1051707295.db2.gz YFSHHYJJAYEUDA-SFHVURJKSA-N 2 2 329.513 4.144 20 0 EIADLP c1cn(C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001175670093 1051721790 /nfs/dbraw/zinc/72/17/90/1051721790.db2.gz XQGAHMKYRTUXOY-SIKLNZKXSA-N 2 2 331.463 4.334 20 0 EIADLP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc(C)[nH+]c1C ZINC001203374394 1051745067 /nfs/dbraw/zinc/74/50/67/1051745067.db2.gz YVNVURGTYQRAGI-UHFFFAOYSA-N 2 2 325.456 4.089 20 0 EIADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183045623 1051768419 /nfs/dbraw/zinc/76/84/19/1051768419.db2.gz KQEPZGXCUNMGLV-HSZRJFAPSA-N 2 2 336.523 4.162 20 0 EIADLP CCC[N@H+]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183045623 1051768432 /nfs/dbraw/zinc/76/84/32/1051768432.db2.gz KQEPZGXCUNMGLV-HSZRJFAPSA-N 2 2 336.523 4.162 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C[N@@H+]1Cc1ccccc1 ZINC001183024801 1051771204 /nfs/dbraw/zinc/77/12/04/1051771204.db2.gz OZIRJVLHUIVMRZ-OIISXLGYSA-N 2 2 341.326 4.213 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C[N@H+]1Cc1ccccc1 ZINC001183024801 1051771215 /nfs/dbraw/zinc/77/12/15/1051771215.db2.gz OZIRJVLHUIVMRZ-OIISXLGYSA-N 2 2 341.326 4.213 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621291503 1051823596 /nfs/dbraw/zinc/82/35/96/1051823596.db2.gz UMTLAJAJBFARIP-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621291503 1051823601 /nfs/dbraw/zinc/82/36/01/1051823601.db2.gz UMTLAJAJBFARIP-LJQANCHMSA-N 2 2 343.902 4.125 20 0 EIADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371176 1051838506 /nfs/dbraw/zinc/83/85/06/1051838506.db2.gz OIORMRAFKZYFKZ-WIYYLYMNSA-N 2 2 338.520 4.364 20 0 EIADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371176 1051838511 /nfs/dbraw/zinc/83/85/11/1051838511.db2.gz OIORMRAFKZYFKZ-WIYYLYMNSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371176 1051838515 /nfs/dbraw/zinc/83/85/15/1051838515.db2.gz OIORMRAFKZYFKZ-WIYYLYMNSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371176 1051838516 /nfs/dbraw/zinc/83/85/16/1051838516.db2.gz OIORMRAFKZYFKZ-WIYYLYMNSA-N 2 2 338.520 4.364 20 0 EIADLP Cc1ccc(CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001193336391 1051904178 /nfs/dbraw/zinc/90/41/78/1051904178.db2.gz PRJXBQSGAMXZKH-UHFFFAOYSA-N 2 2 325.500 4.317 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC(C)(C)[C@@H](c3ccccc3)C2)s1 ZINC001184036409 1051943716 /nfs/dbraw/zinc/94/37/16/1051943716.db2.gz WVSCXVMOPDLDSG-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC(C)(C)[C@@H](c3ccccc3)C2)s1 ZINC001184036409 1051943724 /nfs/dbraw/zinc/94/37/24/1051943724.db2.gz WVSCXVMOPDLDSG-GOSISDBHSA-N 2 2 343.540 4.220 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000159220352 1051948820 /nfs/dbraw/zinc/94/88/20/1051948820.db2.gz BOGNHHKWRMDNLL-CYBMUJFWSA-N 2 2 345.314 4.145 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC001184373946 1051999805 /nfs/dbraw/zinc/99/98/05/1051999805.db2.gz HBHITQVWGCVOSL-OAHLLOKOSA-N 2 2 344.528 4.352 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC001184373946 1051999819 /nfs/dbraw/zinc/99/98/19/1051999819.db2.gz HBHITQVWGCVOSL-OAHLLOKOSA-N 2 2 344.528 4.352 20 0 EIADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(Cl)c1 ZINC001193870575 1052021816 /nfs/dbraw/zinc/02/18/16/1052021816.db2.gz FVCKEDRASFWRNQ-UHFFFAOYSA-N 2 2 330.859 4.395 20 0 EIADLP CC(C)(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCCCC1 ZINC000165959140 1052080768 /nfs/dbraw/zinc/08/07/68/1052080768.db2.gz LGSRSOMKSOZRIB-ICSRJNTNSA-N 2 2 330.516 4.008 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000326438741 1052095020 /nfs/dbraw/zinc/09/50/20/1052095020.db2.gz YPYVAXVEVXWWFY-NRFANRHFSA-N 2 2 335.451 4.051 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000774823559 1052170766 /nfs/dbraw/zinc/17/07/66/1052170766.db2.gz IYISXFPGNNNZIG-XXBNENTESA-N 2 2 349.522 4.433 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC001176977010 1052214363 /nfs/dbraw/zinc/21/43/63/1052214363.db2.gz HUSSNEXZIATQSU-UHFFFAOYSA-N 2 2 349.478 4.222 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1O ZINC000185165209 1052506744 /nfs/dbraw/zinc/50/67/44/1052506744.db2.gz OBORVAQQWYOSDU-CYBMUJFWSA-N 2 2 327.815 4.082 20 0 EIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000180401658 1052799139 /nfs/dbraw/zinc/79/91/39/1052799139.db2.gz MJTUYZBRNVTLOZ-AWEZNQCLSA-N 2 2 326.431 4.120 20 0 EIADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623865240 1052825313 /nfs/dbraw/zinc/82/53/13/1052825313.db2.gz LNMJYXSPFZSYTJ-INIZCTEOSA-N 2 2 347.528 4.023 20 0 EIADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000623870348 1052831051 /nfs/dbraw/zinc/83/10/51/1052831051.db2.gz XBLDATLNSFCRQN-CQSZACIVSA-N 2 2 336.277 4.085 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)sc1C ZINC000624015126 1052853587 /nfs/dbraw/zinc/85/35/87/1052853587.db2.gz PDXSZQPEIXTZSR-HKUYNNGSSA-N 2 2 336.545 4.049 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000181660692 1052891122 /nfs/dbraw/zinc/89/11/22/1052891122.db2.gz DNBKWEVLCGLXQV-MRXNPFEDSA-N 2 2 344.499 4.147 20 0 EIADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000181968371 1052906090 /nfs/dbraw/zinc/90/60/90/1052906090.db2.gz QZBVDOOMQKJLNI-OAHLLOKOSA-N 2 2 325.378 4.279 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(F)c2F)cc1F ZINC000183234655 1052968116 /nfs/dbraw/zinc/96/81/16/1052968116.db2.gz RCBZECKCXXANCP-GFCCVEGCSA-N 2 2 345.368 4.449 20 0 EIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(Cl)ccc2cccnc21 ZINC001205684977 1053258564 /nfs/dbraw/zinc/25/85/64/1053258564.db2.gz NXJNHFTVIGMOBQ-UHFFFAOYSA-N 2 2 333.907 4.442 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(Cl)ccc2cccnc21 ZINC001205684977 1053258586 /nfs/dbraw/zinc/25/85/86/1053258586.db2.gz NXJNHFTVIGMOBQ-UHFFFAOYSA-N 2 2 333.907 4.442 20 0 EIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2cscn2)ccc1OC ZINC000850511839 1053268733 /nfs/dbraw/zinc/26/87/33/1053268733.db2.gz OICBRYQHRMQCTL-HUUCEWRRSA-N 2 2 347.528 4.405 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000383655566 1053370701 /nfs/dbraw/zinc/37/07/01/1053370701.db2.gz FIYVBAXBMZUHLS-LPHOPBHVSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000383655566 1053370718 /nfs/dbraw/zinc/37/07/18/1053370718.db2.gz FIYVBAXBMZUHLS-LPHOPBHVSA-N 2 2 343.540 4.404 20 0 EIADLP C[C@@H]([NH2+]CCCOc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764929457 1053380361 /nfs/dbraw/zinc/38/03/61/1053380361.db2.gz PSPRAVOOFQWWPR-MRXNPFEDSA-N 2 2 339.414 4.131 20 0 EIADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCO2 ZINC000765358080 1053514037 /nfs/dbraw/zinc/51/40/37/1053514037.db2.gz GRUJBEOFBZPYPP-NRFANRHFSA-N 2 2 347.462 4.493 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865485434 1053521259 /nfs/dbraw/zinc/52/12/59/1053521259.db2.gz WPISTPMRSRIJRC-RHSMWYFYSA-N 2 2 347.865 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000865485434 1053521272 /nfs/dbraw/zinc/52/12/72/1053521272.db2.gz WPISTPMRSRIJRC-RHSMWYFYSA-N 2 2 347.865 4.017 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450299 1053550096 /nfs/dbraw/zinc/55/00/96/1053550096.db2.gz QBVKRBVEQHQJQO-SJLPKXTDSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450299 1053550111 /nfs/dbraw/zinc/55/01/11/1053550111.db2.gz QBVKRBVEQHQJQO-SJLPKXTDSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866362055 1053703836 /nfs/dbraw/zinc/70/38/36/1053703836.db2.gz YPBJQLOGHVFKCE-CMPLNLGQSA-N 2 2 341.402 4.230 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866607571 1053802382 /nfs/dbraw/zinc/80/23/82/1053802382.db2.gz RYZXSSOXTXBFHA-IAOVAPTHSA-N 2 2 335.373 4.420 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001196991904 1053819272 /nfs/dbraw/zinc/81/92/72/1053819272.db2.gz IOBBWYNOFMAETK-KRWDZBQOSA-N 2 2 337.389 4.222 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001196991904 1053819274 /nfs/dbraw/zinc/81/92/74/1053819274.db2.gz IOBBWYNOFMAETK-KRWDZBQOSA-N 2 2 337.389 4.222 20 0 EIADLP Clc1ccccc1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197265423 1053864464 /nfs/dbraw/zinc/86/44/64/1053864464.db2.gz RRPKGZHYRCRDHL-IBGZPJMESA-N 2 2 325.843 4.110 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930825 1054026993 /nfs/dbraw/zinc/02/69/93/1054026993.db2.gz SWIOPRDKTNLUHT-ZIAGYGMSSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930825 1054027005 /nfs/dbraw/zinc/02/70/05/1054027005.db2.gz SWIOPRDKTNLUHT-ZIAGYGMSSA-N 2 2 333.838 4.146 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429535805 1054094505 /nfs/dbraw/zinc/09/45/05/1054094505.db2.gz MOQWRTHJYQNFFG-SJORKVTESA-N 2 2 339.321 4.316 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429535805 1054094519 /nfs/dbraw/zinc/09/45/19/1054094519.db2.gz MOQWRTHJYQNFFG-SJORKVTESA-N 2 2 339.321 4.316 20 0 EIADLP Cc1ccc(-c2csc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000671680578 1054164862 /nfs/dbraw/zinc/16/48/62/1054164862.db2.gz POVUVDNVXLEJLP-KRWDZBQOSA-N 2 2 338.480 4.152 20 0 EIADLP Cc1ccc(-c2csc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000671680578 1054164870 /nfs/dbraw/zinc/16/48/70/1054164870.db2.gz POVUVDNVXLEJLP-KRWDZBQOSA-N 2 2 338.480 4.152 20 0 EIADLP CCC[N@H+](C[C@H](OC)C1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641156 1054215172 /nfs/dbraw/zinc/21/51/72/1054215172.db2.gz NFVHSENJYDYGAV-QFIPXVFZSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@H](OC)C1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641156 1054215181 /nfs/dbraw/zinc/21/51/81/1054215181.db2.gz NFVHSENJYDYGAV-QFIPXVFZSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001198790419 1054251622 /nfs/dbraw/zinc/25/16/22/1054251622.db2.gz HBJHGJHOTCNJRY-SFHVURJKSA-N 2 2 329.463 4.487 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001198790419 1054251638 /nfs/dbraw/zinc/25/16/38/1054251638.db2.gz HBJHGJHOTCNJRY-SFHVURJKSA-N 2 2 329.463 4.487 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000872041541 1054357389 /nfs/dbraw/zinc/35/73/89/1054357389.db2.gz UBUMWQJWHKFPCO-WDYCEAGBSA-N 2 2 327.472 4.117 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001199328499 1054393438 /nfs/dbraw/zinc/39/34/38/1054393438.db2.gz BEQIFJAIYLASBR-HZPDHXFCSA-N 2 2 338.923 4.196 20 0 EIADLP C[C@H]1CCCC[C@@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC001199472017 1054412487 /nfs/dbraw/zinc/41/24/87/1054412487.db2.gz FPYXOEBQDBROMW-ZWKOTPCHSA-N 2 2 329.532 4.455 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)cc1 ZINC000858271617 1054453084 /nfs/dbraw/zinc/45/30/84/1054453084.db2.gz IUXSBCMYVILWSL-SFHVURJKSA-N 2 2 327.516 4.057 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001199864418 1054480666 /nfs/dbraw/zinc/48/06/66/1054480666.db2.gz KEZVXSAAGKXNMT-SFHVURJKSA-N 2 2 343.540 4.268 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001199864418 1054480671 /nfs/dbraw/zinc/48/06/71/1054480671.db2.gz KEZVXSAAGKXNMT-SFHVURJKSA-N 2 2 343.540 4.268 20 0 EIADLP C[C@@]1(C[NH2+][C@H]2CCCc3scnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000858414665 1054485204 /nfs/dbraw/zinc/48/52/04/1054485204.db2.gz FWWSCRMYXDMFKV-PXNSSMCTSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@@]1(C[NH2+][C@H]2CCCc3scnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000858414665 1054485207 /nfs/dbraw/zinc/48/52/07/1054485207.db2.gz FWWSCRMYXDMFKV-PXNSSMCTSA-N 2 2 341.524 4.022 20 0 EIADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001201557926 1054847183 /nfs/dbraw/zinc/84/71/83/1054847183.db2.gz OYRAILCFBBHIGH-INIZCTEOSA-N 2 2 347.528 4.169 20 0 EIADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001201557926 1054847189 /nfs/dbraw/zinc/84/71/89/1054847189.db2.gz OYRAILCFBBHIGH-INIZCTEOSA-N 2 2 347.528 4.169 20 0 EIADLP c1cc(-c2ccc3c(C4C[NH+](CCc5ccccc5)C4)[nH+]cn3c2)co1 ZINC001201605093 1054861968 /nfs/dbraw/zinc/86/19/68/1054861968.db2.gz WRHADHIRRYXERL-UHFFFAOYSA-N 2 2 343.430 4.236 20 0 EIADLP C[C@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)Cn1cc[nH+]c1 ZINC000067500919 1055039775 /nfs/dbraw/zinc/03/97/75/1055039775.db2.gz BIHUQSVJABSFDS-CQSZACIVSA-N 2 2 345.393 4.064 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c2ccccc21 ZINC000656201291 1056708773 /nfs/dbraw/zinc/70/87/73/1056708773.db2.gz ODMXMFSNMUFERF-SJORKVTESA-N 2 2 348.368 4.309 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C\c3ccccc3)CC2)cc1 ZINC000742377305 1058604533 /nfs/dbraw/zinc/60/45/33/1058604533.db2.gz APKOWBMGSCRYNZ-TWGQIWQCSA-N 2 2 335.495 4.024 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832738 1060150274 /nfs/dbraw/zinc/15/02/74/1060150274.db2.gz YDHIIFIBSJEWRY-DNVCBOLYSA-N 2 2 343.540 4.323 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000379832738 1060150298 /nfs/dbraw/zinc/15/02/98/1060150298.db2.gz YDHIIFIBSJEWRY-DNVCBOLYSA-N 2 2 343.540 4.323 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCCC1 ZINC001169137158 1060654075 /nfs/dbraw/zinc/65/40/75/1060654075.db2.gz QHSULULRYMIALI-FQEVSTJZSA-N 2 2 343.559 4.147 20 0 EIADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cc1C(F)(F)F ZINC001169139540 1060656211 /nfs/dbraw/zinc/65/62/11/1060656211.db2.gz BJYIRPFERGNFJJ-WBMJQRKESA-N 2 2 329.410 4.364 20 0 EIADLP Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cc1C(F)(F)F ZINC001169139537 1060656221 /nfs/dbraw/zinc/65/62/21/1060656221.db2.gz BJYIRPFERGNFJJ-BLLLJJGKSA-N 2 2 329.410 4.364 20 0 EIADLP Fc1cccc([C@H]2C[C@@H]2[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001169215777 1060694843 /nfs/dbraw/zinc/69/48/43/1060694843.db2.gz BBVSQXZCCMFHHD-UXHICEINSA-N 2 2 327.447 4.071 20 0 EIADLP Cc1c[nH+]cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c1C ZINC001169609599 1060867261 /nfs/dbraw/zinc/86/72/61/1060867261.db2.gz ZVGZSSCUJPAYTH-UHFFFAOYSA-N 2 2 349.356 4.042 20 0 EIADLP c1ccc(C(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000020351321 212121217 /nfs/dbraw/zinc/12/12/17/212121217.db2.gz JQXJMNVNKBFOOE-JOCHJYFZSA-N 2 2 334.507 4.379 20 0 EIADLP c1ccc(C(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000020351321 212121219 /nfs/dbraw/zinc/12/12/19/212121219.db2.gz JQXJMNVNKBFOOE-JOCHJYFZSA-N 2 2 334.507 4.379 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000532203430 1032088696 /nfs/dbraw/zinc/08/86/96/1032088696.db2.gz WIBLSWYUAIABSK-IAGOWNOFSA-N 2 2 337.389 4.218 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238701 1032117018 /nfs/dbraw/zinc/11/70/18/1032117018.db2.gz OUADWFQROOLXDM-UONOGXRCSA-N 2 2 328.472 4.036 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000532238701 1032117027 /nfs/dbraw/zinc/11/70/27/1032117027.db2.gz OUADWFQROOLXDM-UONOGXRCSA-N 2 2 328.472 4.036 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCOc3c(C)cc(C)cc31)CCC2 ZINC000360080470 1032240228 /nfs/dbraw/zinc/24/02/28/1032240228.db2.gz XJGSFRPCACPKDM-HKUYNNGSSA-N 2 2 339.483 4.189 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000509672644 1032259296 /nfs/dbraw/zinc/25/92/96/1032259296.db2.gz KXBOBEIZUUTGKE-INIZCTEOSA-N 2 2 345.512 4.180 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000509672644 1032259307 /nfs/dbraw/zinc/25/93/07/1032259307.db2.gz KXBOBEIZUUTGKE-INIZCTEOSA-N 2 2 345.512 4.180 20 0 EIADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000648431651 1032296027 /nfs/dbraw/zinc/29/60/27/1032296027.db2.gz UDPRHWHXHQTSED-PWRODBHTSA-N 2 2 330.516 4.007 20 0 EIADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245557591 1032310442 /nfs/dbraw/zinc/31/04/42/1032310442.db2.gz VBHWBQBUMXBAAW-IEBWSBKVSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245557591 1032310459 /nfs/dbraw/zinc/31/04/59/1032310459.db2.gz VBHWBQBUMXBAAW-IEBWSBKVSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245557591 1032310472 /nfs/dbraw/zinc/31/04/72/1032310472.db2.gz VBHWBQBUMXBAAW-IEBWSBKVSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245557591 1032310486 /nfs/dbraw/zinc/31/04/86/1032310486.db2.gz VBHWBQBUMXBAAW-IEBWSBKVSA-N 2 2 349.478 4.343 20 0 EIADLP C[C@@H](c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1)C(F)(F)F ZINC000450264172 1032383921 /nfs/dbraw/zinc/38/39/21/1032383921.db2.gz FATNGRLAHXVRBL-HNNXBMFYSA-N 2 2 340.433 4.413 20 0 EIADLP Cc1[nH+]ccn1CCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450347175 1032439582 /nfs/dbraw/zinc/43/95/82/1032439582.db2.gz HFCMHVHUNRYGNH-UHFFFAOYSA-N 2 2 334.345 4.261 20 0 EIADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177932811 1032513179 /nfs/dbraw/zinc/51/31/79/1032513179.db2.gz XVRGVADQRNPRHE-CQSZACIVSA-N 2 2 340.496 4.110 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1F ZINC000180068918 1032582250 /nfs/dbraw/zinc/58/22/50/1032582250.db2.gz QRUSZZIIBUBZIK-FQEVSTJZSA-N 2 2 337.442 4.354 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000124481614 1032586042 /nfs/dbraw/zinc/58/60/42/1032586042.db2.gz ABTSQUMQJDDDPF-KRWDZBQOSA-N 2 2 343.471 4.016 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000683108135 1018835805 /nfs/dbraw/zinc/83/58/05/1018835805.db2.gz AHMTYRMYELBNPY-FGTMMUONSA-N 2 2 343.540 4.214 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000432787241 1032807235 /nfs/dbraw/zinc/80/72/35/1032807235.db2.gz FUQRQLCSEWMTAW-HXUWFJFHSA-N 2 2 326.459 4.409 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000432787241 1032807242 /nfs/dbraw/zinc/80/72/42/1032807242.db2.gz FUQRQLCSEWMTAW-HXUWFJFHSA-N 2 2 326.459 4.409 20 0 EIADLP Clc1ccccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385200 1019140989 /nfs/dbraw/zinc/14/09/89/1019140989.db2.gz NDCZGJMCGIFICJ-ICSRJNTNSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385200 1019140997 /nfs/dbraw/zinc/14/09/97/1019140997.db2.gz NDCZGJMCGIFICJ-ICSRJNTNSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385200 1019141010 /nfs/dbraw/zinc/14/10/10/1019141010.db2.gz NDCZGJMCGIFICJ-ICSRJNTNSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203385200 1019141019 /nfs/dbraw/zinc/14/10/19/1019141019.db2.gz NDCZGJMCGIFICJ-ICSRJNTNSA-N 2 2 340.898 4.294 20 0 EIADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CCC2 ZINC000579837506 1019535195 /nfs/dbraw/zinc/53/51/95/1019535195.db2.gz GBFRPHWSFYGLOC-VQIMIIECSA-N 2 2 341.524 4.458 20 0 EIADLP CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000339621856 1019738986 /nfs/dbraw/zinc/73/89/86/1019738986.db2.gz CARBCUWETXFTJR-UHFFFAOYSA-N 2 2 335.451 4.292 20 0 EIADLP CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000339621856 1019739003 /nfs/dbraw/zinc/73/90/03/1019739003.db2.gz CARBCUWETXFTJR-UHFFFAOYSA-N 2 2 335.451 4.292 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000274873666 1019823362 /nfs/dbraw/zinc/82/33/62/1019823362.db2.gz GGVVSUGTWYCDJD-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP Fc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(Cl)c2)c1 ZINC000179964223 1019995632 /nfs/dbraw/zinc/99/56/32/1019995632.db2.gz YSIDVXZVXNHFTF-LJQANCHMSA-N 2 2 343.833 4.445 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000180082733 1020046006 /nfs/dbraw/zinc/04/60/06/1020046006.db2.gz JTCSNDPNZUPFSQ-HTAPYJJXSA-N 2 2 331.463 4.263 20 0 EIADLP CCC(CC)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655696278 1020902676 /nfs/dbraw/zinc/90/26/76/1020902676.db2.gz DWXNONIGTYDKQY-SFTDATJTSA-N 2 2 330.516 4.007 20 0 EIADLP CCC[NH+]1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000683693833 1021104398 /nfs/dbraw/zinc/10/43/98/1021104398.db2.gz FSKAEZWCNQWPCL-UHFFFAOYSA-N 2 2 338.499 4.173 20 0 EIADLP C[C@H](CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706228 1021127072 /nfs/dbraw/zinc/12/70/72/1021127072.db2.gz FGURASSHTPKFGR-NQIIRXRSSA-N 2 2 333.479 4.487 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661373197 1021526404 /nfs/dbraw/zinc/52/64/04/1021526404.db2.gz LSBGOWFWNGNBNP-UHFFFAOYSA-N 2 2 338.282 4.337 20 0 EIADLP CC1=C[C@@H](C)C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835059 1021659146 /nfs/dbraw/zinc/65/91/46/1021659146.db2.gz ZSGUTMXHQPRRCU-QUCCMNQESA-N 2 2 341.543 4.013 20 0 EIADLP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835059 1021659156 /nfs/dbraw/zinc/65/91/56/1021659156.db2.gz ZSGUTMXHQPRRCU-QUCCMNQESA-N 2 2 341.543 4.013 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)ccc1Br ZINC000376178571 1021680367 /nfs/dbraw/zinc/68/03/67/1021680367.db2.gz RUSDLXNCWZFTNH-DZGCQCFKSA-N 2 2 348.288 4.182 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177805988 1021712099 /nfs/dbraw/zinc/71/20/99/1021712099.db2.gz VLSRRVJJOSYYCJ-FQEVSTJZSA-N 2 2 333.435 4.184 20 0 EIADLP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000414060615 1021758960 /nfs/dbraw/zinc/75/89/60/1021758960.db2.gz JQPTUFJMKVNPGM-SFHVURJKSA-N 2 2 349.478 4.142 20 0 EIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3(CCCCC3)Oc3ccccc31)C2 ZINC000377802692 1022014504 /nfs/dbraw/zinc/01/45/04/1022014504.db2.gz MQQSYBOHROFSSK-BEFAXECRSA-N 2 2 337.467 4.083 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1)CCC2 ZINC000377836577 1022040527 /nfs/dbraw/zinc/04/05/27/1022040527.db2.gz CEMJYZUPNCABHN-MRXNPFEDSA-N 2 2 349.425 4.077 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccsc1 ZINC000177952701 1022066011 /nfs/dbraw/zinc/06/60/11/1022066011.db2.gz RCSFWXHTMWLEIE-HNNXBMFYSA-N 2 2 329.513 4.134 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)CCC2 ZINC000377943132 1022128350 /nfs/dbraw/zinc/12/83/50/1022128350.db2.gz CFIUHPXBBSVJMG-UKRRQHHQSA-N 2 2 348.288 4.182 20 0 EIADLP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000684022018 1022365526 /nfs/dbraw/zinc/36/55/26/1022365526.db2.gz BYZBEZWZBCWUQJ-SFHVURJKSA-N 2 2 325.500 4.256 20 0 EIADLP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000684022018 1022365531 /nfs/dbraw/zinc/36/55/31/1022365531.db2.gz BYZBEZWZBCWUQJ-SFHVURJKSA-N 2 2 325.500 4.256 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414294251 1022424923 /nfs/dbraw/zinc/42/49/23/1022424923.db2.gz DPSCIWKYCDJDSQ-GTAWCEEGSA-N 2 2 329.532 4.096 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414294251 1022424930 /nfs/dbraw/zinc/42/49/30/1022424930.db2.gz DPSCIWKYCDJDSQ-GTAWCEEGSA-N 2 2 329.532 4.096 20 0 EIADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000180072777 1022426068 /nfs/dbraw/zinc/42/60/68/1022426068.db2.gz KWEMRMGXQSVATM-MRXNPFEDSA-N 2 2 348.494 4.298 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)Oc3cc(F)ccc31)CCC2 ZINC000378185155 1022490210 /nfs/dbraw/zinc/49/02/10/1022490210.db2.gz RPYADBAGRUPXOA-WMLDXEAASA-N 2 2 343.446 4.100 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467198079 1022547587 /nfs/dbraw/zinc/54/75/87/1022547587.db2.gz WONBLGHWLGTKIZ-FXAWDEMLSA-N 2 2 339.483 4.405 20 0 EIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000134297628 1022598714 /nfs/dbraw/zinc/59/87/14/1022598714.db2.gz RLOLWLRSGRCIKH-INIZCTEOSA-N 2 2 325.283 4.197 20 0 EIADLP Cc1c2ccccc2oc1[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000414343432 1022657237 /nfs/dbraw/zinc/65/72/37/1022657237.db2.gz AZUYZWWFKQZHAG-GOSISDBHSA-N 2 2 340.471 4.028 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092389481 1022820422 /nfs/dbraw/zinc/82/04/22/1022820422.db2.gz WMYSLRHSHQABSV-INIZCTEOSA-N 2 2 329.513 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092389481 1022820424 /nfs/dbraw/zinc/82/04/24/1022820424.db2.gz WMYSLRHSHQABSV-INIZCTEOSA-N 2 2 329.513 4.020 20 0 EIADLP CCC[N@H+](Cc1nc2ccccc2c(C)c1Cl)C1CC[NH2+]CC1 ZINC000261742422 1023083963 /nfs/dbraw/zinc/08/39/63/1023083963.db2.gz OEGCCFJOAGHFFJ-UHFFFAOYSA-N 2 2 331.891 4.161 20 0 EIADLP CCC[N@@H+](Cc1nc2ccccc2c(C)c1Cl)C1CC[NH2+]CC1 ZINC000261742422 1023083975 /nfs/dbraw/zinc/08/39/75/1023083975.db2.gz OEGCCFJOAGHFFJ-UHFFFAOYSA-N 2 2 331.891 4.161 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321341 1023265584 /nfs/dbraw/zinc/26/55/84/1023265584.db2.gz LLMSYZUWBBCHKT-ZYSHUDEJSA-N 2 2 337.492 4.275 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000163744217 1023572403 /nfs/dbraw/zinc/57/24/03/1023572403.db2.gz YVUCCUXUBBRSBJ-MRXNPFEDSA-N 2 2 344.886 4.023 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564568 1023681435 /nfs/dbraw/zinc/68/14/35/1023681435.db2.gz ALDANMRGYVSNQA-JXFKEZNVSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564568 1023681443 /nfs/dbraw/zinc/68/14/43/1023681443.db2.gz ALDANMRGYVSNQA-JXFKEZNVSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566445 1023683243 /nfs/dbraw/zinc/68/32/43/1023683243.db2.gz ARBXDXMCYZEDLH-UXHICEINSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566445 1023683249 /nfs/dbraw/zinc/68/32/49/1023683249.db2.gz ARBXDXMCYZEDLH-UXHICEINSA-N 2 2 344.524 4.080 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnc2ccsc2c1 ZINC000126476760 1023850167 /nfs/dbraw/zinc/85/01/67/1023850167.db2.gz PRDFEESLXSPVNN-CQSZACIVSA-N 2 2 338.480 4.011 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000581934598 1023903554 /nfs/dbraw/zinc/90/35/54/1023903554.db2.gz ZFOVXGOVFPKUFJ-UGKGYDQZSA-N 2 2 331.463 4.160 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000581934598 1023903561 /nfs/dbraw/zinc/90/35/61/1023903561.db2.gz ZFOVXGOVFPKUFJ-UGKGYDQZSA-N 2 2 331.463 4.160 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156504486 1023906327 /nfs/dbraw/zinc/90/63/27/1023906327.db2.gz ZBHFULFCMBSKOT-BQFCYCMXSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156504486 1023906338 /nfs/dbraw/zinc/90/63/38/1023906338.db2.gz ZBHFULFCMBSKOT-BQFCYCMXSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@H]([NH2+]CCSCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000430779959 1024035778 /nfs/dbraw/zinc/03/57/78/1024035778.db2.gz HSMGVVGKCWNMFC-KRWDZBQOSA-N 2 2 337.492 4.456 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661740760 1024428922 /nfs/dbraw/zinc/42/89/22/1024428922.db2.gz RVLCAHAPUTXEEE-SFHVURJKSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661740760 1024428969 /nfs/dbraw/zinc/42/89/69/1024428969.db2.gz RVLCAHAPUTXEEE-SFHVURJKSA-N 2 2 347.890 4.087 20 0 EIADLP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016861 1024818573 /nfs/dbraw/zinc/81/85/73/1024818573.db2.gz YRXXVTJRCJSMGT-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016861 1024818574 /nfs/dbraw/zinc/81/85/74/1024818574.db2.gz YRXXVTJRCJSMGT-MRXNPFEDSA-N 2 2 333.545 4.109 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803852 1024962011 /nfs/dbraw/zinc/96/20/11/1024962011.db2.gz CKDGLPZFBUUDGK-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803852 1024962021 /nfs/dbraw/zinc/96/20/21/1024962021.db2.gz CKDGLPZFBUUDGK-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535803852 1024962031 /nfs/dbraw/zinc/96/20/31/1024962031.db2.gz CKDGLPZFBUUDGK-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535803852 1024962041 /nfs/dbraw/zinc/96/20/41/1024962041.db2.gz CKDGLPZFBUUDGK-CRAIPNDOSA-N 2 2 338.417 4.154 20 0 EIADLP CC(C)c1ccc[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000341977954 1025021604 /nfs/dbraw/zinc/02/16/04/1025021604.db2.gz AWGXRGVIYYRBMP-UHFFFAOYSA-N 2 2 330.501 4.040 20 0 EIADLP CC(C)c1ccc[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000341977954 1025021613 /nfs/dbraw/zinc/02/16/13/1025021613.db2.gz AWGXRGVIYYRBMP-UHFFFAOYSA-N 2 2 330.501 4.040 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151111811 1025264765 /nfs/dbraw/zinc/26/47/65/1025264765.db2.gz LEYUHGWKJJGVNB-NSHDSACASA-N 2 2 330.284 4.309 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000151309443 1025281141 /nfs/dbraw/zinc/28/11/41/1025281141.db2.gz YWFRLLDCMWZLRX-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cnc2ccsc2c1 ZINC000151348772 1025283093 /nfs/dbraw/zinc/28/30/93/1025283093.db2.gz TVWDFPNTRWPBHW-OAHLLOKOSA-N 2 2 348.475 4.392 20 0 EIADLP CCC(C)(C)c1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512044761 1025834126 /nfs/dbraw/zinc/83/41/26/1025834126.db2.gz HMECWMZAPBJEJB-UHFFFAOYSA-N 2 2 331.529 4.182 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663622980 1025871196 /nfs/dbraw/zinc/87/11/96/1025871196.db2.gz YTZHAHUVWSIDPB-MRXNPFEDSA-N 2 2 346.478 4.455 20 0 EIADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415072923 1025873894 /nfs/dbraw/zinc/87/38/94/1025873894.db2.gz AHQKMFLVWUMDEB-KUHUBIRLSA-N 2 2 332.850 4.158 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390913094 1025882636 /nfs/dbraw/zinc/88/26/36/1025882636.db2.gz QQWPLJQBSAPXJB-QGZVFWFLSA-N 2 2 332.875 4.323 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390913094 1025882640 /nfs/dbraw/zinc/88/26/40/1025882640.db2.gz QQWPLJQBSAPXJB-QGZVFWFLSA-N 2 2 332.875 4.323 20 0 EIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(CC)CC ZINC000344033679 1025889406 /nfs/dbraw/zinc/88/94/06/1025889406.db2.gz LPXHNRVSHVIAFV-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000344032746 1025892885 /nfs/dbraw/zinc/89/28/85/1025892885.db2.gz JNOMKFRPJHZKKJ-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000344129079 1026041532 /nfs/dbraw/zinc/04/15/32/1026041532.db2.gz KORNZHSNOIPFTC-FOIQADDNSA-N 2 2 349.434 4.055 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCCO2 ZINC000344140177 1026054801 /nfs/dbraw/zinc/05/48/01/1026054801.db2.gz ZVNMRGZEOLXFMY-KRWDZBQOSA-N 2 2 343.427 4.076 20 0 EIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564660764 1026082028 /nfs/dbraw/zinc/08/20/28/1026082028.db2.gz KSEDUGKLKFMYEZ-YOEHRIQHSA-N 2 2 347.890 4.306 20 0 EIADLP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000344201883 1026128218 /nfs/dbraw/zinc/12/82/18/1026128218.db2.gz YPZNSTZAKDMZSS-KRWDZBQOSA-N 2 2 347.871 4.065 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001167573599 1026621333 /nfs/dbraw/zinc/62/13/33/1026621333.db2.gz WFFQYOZDPOICQI-HRAATJIYSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001167573599 1026621349 /nfs/dbraw/zinc/62/13/49/1026621349.db2.gz WFFQYOZDPOICQI-HRAATJIYSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573599 1026621353 /nfs/dbraw/zinc/62/13/53/1026621353.db2.gz WFFQYOZDPOICQI-HRAATJIYSA-N 2 2 344.449 4.450 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)CC[NH+]1Cc1ccccc1 ZINC001167573599 1026621359 /nfs/dbraw/zinc/62/13/59/1026621359.db2.gz WFFQYOZDPOICQI-HRAATJIYSA-N 2 2 344.449 4.450 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cccc2cnccc21)c1ccccc1 ZINC000236849813 1026801722 /nfs/dbraw/zinc/80/17/22/1026801722.db2.gz OJHLVFLHYVSBLB-QFIPXVFZSA-N 2 2 333.479 4.408 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000474472524 1027098661 /nfs/dbraw/zinc/09/86/61/1027098661.db2.gz WRLNWMWEFQOUBB-TVFCKZIOSA-N 2 2 348.531 4.048 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC000474472524 1027098672 /nfs/dbraw/zinc/09/86/72/1027098672.db2.gz WRLNWMWEFQOUBB-TVFCKZIOSA-N 2 2 348.531 4.048 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840433 1027225526 /nfs/dbraw/zinc/22/55/26/1027225526.db2.gz DCVKTUSMZYQENR-RTBURBONSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000191840433 1027225551 /nfs/dbraw/zinc/22/55/51/1027225551.db2.gz DCVKTUSMZYQENR-RTBURBONSA-N 2 2 344.524 4.080 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000474608492 1027294485 /nfs/dbraw/zinc/29/44/85/1027294485.db2.gz RVRBFSFLXYTKGP-AWEZNQCLSA-N 2 2 337.920 4.463 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000474624490 1027322929 /nfs/dbraw/zinc/32/29/29/1027322929.db2.gz UZNXKEHIBXQZPV-IRXDYDNUSA-N 2 2 335.451 4.163 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000453263108 1027362723 /nfs/dbraw/zinc/36/27/23/1027362723.db2.gz HAXOZIYTXMLOEB-RDJZCZTQSA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000453263108 1027362734 /nfs/dbraw/zinc/36/27/34/1027362734.db2.gz HAXOZIYTXMLOEB-RDJZCZTQSA-N 2 2 349.400 4.026 20 0 EIADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628167220 1027455271 /nfs/dbraw/zinc/45/52/71/1027455271.db2.gz HLTIQYWAGMGEHZ-QGZVFWFLSA-N 2 2 337.389 4.090 20 0 EIADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628167220 1027455281 /nfs/dbraw/zinc/45/52/81/1027455281.db2.gz HLTIQYWAGMGEHZ-QGZVFWFLSA-N 2 2 337.389 4.090 20 0 EIADLP C[C@@H]1CC([NH+]2CC3(C2)CC(F)(F)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041821 1027515735 /nfs/dbraw/zinc/51/57/35/1027515735.db2.gz VWAALBFSNYMIMP-HZPDHXFCSA-N 2 2 334.454 4.159 20 0 EIADLP CCC(CC)(C[NH2+]Cc1cnccc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000474807378 1027527350 /nfs/dbraw/zinc/52/73/50/1027527350.db2.gz IOCXGQJGUOAUPR-SFHVURJKSA-N 2 2 325.500 4.389 20 0 EIADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475546191 1027585463 /nfs/dbraw/zinc/58/54/63/1027585463.db2.gz DAJGVWUKUNQZRJ-UHFFFAOYSA-N 2 2 346.824 4.465 20 0 EIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000392108970 1027626046 /nfs/dbraw/zinc/62/60/46/1027626046.db2.gz AIZYZTJQWXYMKR-UHFFFAOYSA-N 2 2 330.447 4.440 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000161650806 1027662822 /nfs/dbraw/zinc/66/28/22/1027662822.db2.gz CMBWZLWGBKGULN-OAHLLOKOSA-N 2 2 329.513 4.335 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646651 1027664176 /nfs/dbraw/zinc/66/41/76/1027664176.db2.gz AVBIPIAMXGBBRG-DJIMGWMZSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646651 1027664201 /nfs/dbraw/zinc/66/42/01/1027664201.db2.gz AVBIPIAMXGBBRG-DJIMGWMZSA-N 2 2 327.497 4.088 20 0 EIADLP Clc1ccccc1[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000583159198 1028133915 /nfs/dbraw/zinc/13/39/15/1028133915.db2.gz ZRKBOBSZHBULSY-JCNLHEQBSA-N 2 2 341.886 4.240 20 0 EIADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1Cl ZINC000346145467 1028277574 /nfs/dbraw/zinc/27/75/74/1028277574.db2.gz SGPXCDGLCXTIPL-UHFFFAOYSA-N 2 2 340.858 4.251 20 0 EIADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1Cl ZINC000346145467 1028277586 /nfs/dbraw/zinc/27/75/86/1028277586.db2.gz SGPXCDGLCXTIPL-UHFFFAOYSA-N 2 2 340.858 4.251 20 0 EIADLP CC(C)C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1 ZINC000647281955 1028328745 /nfs/dbraw/zinc/32/87/45/1028328745.db2.gz QLOFTKQFASZDDF-OAQYLSRUSA-N 2 2 334.467 4.203 20 0 EIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC)c(OC)c1 ZINC000162864723 1028483234 /nfs/dbraw/zinc/48/32/34/1028483234.db2.gz GWHMDSMRIRQKHM-KRWDZBQOSA-N 2 2 343.471 4.032 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000156377148 1028719318 /nfs/dbraw/zinc/71/93/18/1028719318.db2.gz OTQPRYZSKQVZED-SZMVWBNQSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000156377148 1028719333 /nfs/dbraw/zinc/71/93/33/1028719333.db2.gz OTQPRYZSKQVZED-SZMVWBNQSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127363741 1028772700 /nfs/dbraw/zinc/77/27/00/1028772700.db2.gz MHSOIFPNNFYHBH-HKUYNNGSSA-N 2 2 339.483 4.405 20 0 EIADLP c1cn(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000151115401 1029081952 /nfs/dbraw/zinc/08/19/52/1029081952.db2.gz NNJBDGBEDIPIJP-INIZCTEOSA-N 2 2 338.480 4.064 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151142545 1029180232 /nfs/dbraw/zinc/18/02/32/1029180232.db2.gz YYVYMFGOTDJEBN-SFHVURJKSA-N 2 2 325.481 4.217 20 0 EIADLP CCc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000525127249 1029466946 /nfs/dbraw/zinc/46/69/46/1029466946.db2.gz CEDHOYVZZYTDOC-UHFFFAOYSA-N 2 2 344.890 4.077 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151366927 1029490736 /nfs/dbraw/zinc/49/07/36/1029490736.db2.gz AWQAESVNQQBWIT-VFNWGFHPSA-N 2 2 335.426 4.094 20 0 EIADLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151360981 1029498757 /nfs/dbraw/zinc/49/87/57/1029498757.db2.gz QZWUXJLZFJOLAO-QGZVFWFLSA-N 2 2 335.451 4.181 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)C2)CC1 ZINC000475338310 1029554647 /nfs/dbraw/zinc/55/46/47/1029554647.db2.gz SSYKGRLFIZDXEQ-OPQOLIRYSA-N 2 2 344.465 4.350 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000159201374 1029679203 /nfs/dbraw/zinc/67/92/03/1029679203.db2.gz LEBXDSKPWLTGMP-XAUMDUMWSA-N 2 2 343.902 4.469 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000159201374 1029679206 /nfs/dbraw/zinc/67/92/06/1029679206.db2.gz LEBXDSKPWLTGMP-XAUMDUMWSA-N 2 2 343.902 4.469 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(C)(C)C)cc1 ZINC000584297094 1029721381 /nfs/dbraw/zinc/72/13/81/1029721381.db2.gz VEAVFQZROBTWGQ-UYAOXDASSA-N 2 2 325.500 4.482 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+]C2CC(CF)(CF)C2)c2ccccc2)CC1 ZINC000657843022 1029762679 /nfs/dbraw/zinc/76/26/79/1029762679.db2.gz FZRVMTKVNGJWLW-LJQANCHMSA-N 2 2 336.470 4.137 20 0 EIADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000301632376 1029777793 /nfs/dbraw/zinc/77/77/93/1029777793.db2.gz JQKSMMRSCSKSNB-INIZCTEOSA-N 2 2 335.373 4.095 20 0 EIADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000301632376 1029777805 /nfs/dbraw/zinc/77/78/05/1029777805.db2.gz JQKSMMRSCSKSNB-INIZCTEOSA-N 2 2 335.373 4.095 20 0 EIADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092073917 1029898533 /nfs/dbraw/zinc/89/85/33/1029898533.db2.gz NMLJQVHCWHLZHB-GFCCVEGCSA-N 2 2 341.789 4.044 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000092071786 1029898738 /nfs/dbraw/zinc/89/87/38/1029898738.db2.gz BCQXMTYGFARYCR-QGZVFWFLSA-N 2 2 325.456 4.111 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000092071786 1029898743 /nfs/dbraw/zinc/89/87/43/1029898743.db2.gz BCQXMTYGFARYCR-QGZVFWFLSA-N 2 2 325.456 4.111 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000092748209 1029946479 /nfs/dbraw/zinc/94/64/79/1029946479.db2.gz GLNIRULIVDHVPD-MIJOPJBOSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000092748209 1029946511 /nfs/dbraw/zinc/94/65/11/1029946511.db2.gz GLNIRULIVDHVPD-MIJOPJBOSA-N 2 2 339.458 4.067 20 0 EIADLP CCc1ncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093317999 1029959931 /nfs/dbraw/zinc/95/99/31/1029959931.db2.gz PRQMTMGYDHIFTI-SJLPKXTDSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093317999 1029959958 /nfs/dbraw/zinc/95/99/58/1029959958.db2.gz PRQMTMGYDHIFTI-SJLPKXTDSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093317999 1029959969 /nfs/dbraw/zinc/95/99/69/1029959969.db2.gz PRQMTMGYDHIFTI-SJLPKXTDSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093317999 1029959989 /nfs/dbraw/zinc/95/99/89/1029959989.db2.gz PRQMTMGYDHIFTI-SJLPKXTDSA-N 2 2 343.540 4.190 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000392267004 1030083372 /nfs/dbraw/zinc/08/33/72/1030083372.db2.gz XXBVPEREZGPXGY-VQTJNVASSA-N 2 2 330.516 4.008 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000378917303 1030092867 /nfs/dbraw/zinc/09/28/67/1030092867.db2.gz MWZDUESGNVXOOB-JOCHJYFZSA-N 2 2 338.495 4.247 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000363543165 1030191266 /nfs/dbraw/zinc/19/12/66/1030191266.db2.gz DJUKTOMCGFBGNB-YUTCNCBUSA-N 2 2 344.833 4.219 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000363543165 1030191283 /nfs/dbraw/zinc/19/12/83/1030191283.db2.gz DJUKTOMCGFBGNB-YUTCNCBUSA-N 2 2 344.833 4.219 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575751 1030203228 /nfs/dbraw/zinc/20/32/28/1030203228.db2.gz ZFWJJBZVMKUHAJ-QINHECLXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575751 1030203242 /nfs/dbraw/zinc/20/32/42/1030203242.db2.gz ZFWJJBZVMKUHAJ-QINHECLXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001168163795 1030207601 /nfs/dbraw/zinc/20/76/01/1030207601.db2.gz CEDYQKPMDDHYLZ-OAHLLOKOSA-N 2 2 346.877 4.360 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCCc2cnccc2C)c(C)c1 ZINC000685425772 1030305004 /nfs/dbraw/zinc/30/50/04/1030305004.db2.gz DKPGMYYXUDDZBD-QFIPXVFZSA-N 2 2 348.494 4.167 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000187724358 1030378599 /nfs/dbraw/zinc/37/85/99/1030378599.db2.gz JEZGFIGTDDIMRV-VDGAXYAQSA-N 2 2 343.540 4.485 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000187724358 1030378619 /nfs/dbraw/zinc/37/86/19/1030378619.db2.gz JEZGFIGTDDIMRV-VDGAXYAQSA-N 2 2 343.540 4.485 20 0 EIADLP C[C@@H](Cc1ccsc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000526991886 1030384937 /nfs/dbraw/zinc/38/49/37/1030384937.db2.gz RHECJISPLZSFRS-JQRITLKVSA-N 2 2 346.462 4.074 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001168169236 1030451136 /nfs/dbraw/zinc/45/11/36/1030451136.db2.gz XODCJNQSHCTEHO-CQSZACIVSA-N 2 2 325.843 4.466 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000897417467 1030586261 /nfs/dbraw/zinc/58/62/61/1030586261.db2.gz QCPAFLQWWLHRJI-CQSZACIVSA-N 2 2 327.453 4.102 20 0 EIADLP Cc1cnc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)s1 ZINC000192178028 1030677411 /nfs/dbraw/zinc/67/74/11/1030677411.db2.gz FMRDBFAWOYVUOS-GOSISDBHSA-N 2 2 338.480 4.187 20 0 EIADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000192948422 1030725077 /nfs/dbraw/zinc/72/50/77/1030725077.db2.gz PNUANWKCLAYRNI-CVEARBPZSA-N 2 2 348.450 4.243 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000398187748 1030733519 /nfs/dbraw/zinc/73/35/19/1030733519.db2.gz YPJXSNZTPSSNPD-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000398187748 1030733534 /nfs/dbraw/zinc/73/35/34/1030733534.db2.gz YPJXSNZTPSSNPD-PBHICJAKSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)C(F)F ZINC000658023025 1030784692 /nfs/dbraw/zinc/78/46/92/1030784692.db2.gz HSODMUKNEALNTB-NSHDSACASA-N 2 2 327.806 4.295 20 0 EIADLP COc1ccccc1-c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000530961472 1030817732 /nfs/dbraw/zinc/81/77/32/1030817732.db2.gz QLWSMPRACHPVCD-UHFFFAOYSA-N 2 2 347.462 4.349 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092362 1030820926 /nfs/dbraw/zinc/82/09/26/1030820926.db2.gz PZICLRLSLHPNAI-ILXRZTDVSA-N 2 2 331.529 4.251 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092362 1030820938 /nfs/dbraw/zinc/82/09/38/1030820938.db2.gz PZICLRLSLHPNAI-ILXRZTDVSA-N 2 2 331.529 4.251 20 0 EIADLP CC1(Nc2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)CC[NH2+]CC1 ZINC001168186039 1030871232 /nfs/dbraw/zinc/87/12/32/1030871232.db2.gz QDALYJGITLGRCX-UHFFFAOYSA-N 2 2 340.858 4.209 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000531212752 1030985119 /nfs/dbraw/zinc/98/51/19/1030985119.db2.gz FSDLSPZQXAIURH-HOTGVXAUSA-N 2 2 337.389 4.331 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009159 1031036927 /nfs/dbraw/zinc/03/69/27/1031036927.db2.gz HASJJAHHQBRBHM-JTSKRJEESA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000528009159 1031036946 /nfs/dbraw/zinc/03/69/46/1031036946.db2.gz HASJJAHHQBRBHM-JTSKRJEESA-N 2 2 335.495 4.416 20 0 EIADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000532446170 1031079183 /nfs/dbraw/zinc/07/91/83/1031079183.db2.gz CJVSFQZOFVBPMV-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000375838364 1031340060 /nfs/dbraw/zinc/34/00/60/1031340060.db2.gz IXNZNMSUZYKNMH-GJZGRUSLSA-N 2 2 347.890 4.390 20 0 EIADLP Fc1ccccc1-c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000449015422 1031344490 /nfs/dbraw/zinc/34/44/90/1031344490.db2.gz BWZZPDNVDGKLDP-UHFFFAOYSA-N 2 2 342.443 4.052 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000449059327 1031390382 /nfs/dbraw/zinc/39/03/82/1031390382.db2.gz BITJQALJFLWOCT-UHFFFAOYSA-N 2 2 342.531 4.103 20 0 EIADLP C[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000449075614 1031432708 /nfs/dbraw/zinc/43/27/08/1031432708.db2.gz NSBMMTZIAQCJFN-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000449075793 1031432908 /nfs/dbraw/zinc/43/29/08/1031432908.db2.gz SATJGFSBCGJGFR-UHFFFAOYSA-N 2 2 349.478 4.256 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000531684406 1031473712 /nfs/dbraw/zinc/47/37/12/1031473712.db2.gz CXCKKKXBCVABBV-GJZGRUSLSA-N 2 2 328.485 4.055 20 0 EIADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CCC1 ZINC000449155197 1031485364 /nfs/dbraw/zinc/48/53/64/1031485364.db2.gz KNYXFAHVINABJS-XLIONFOSSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000449155860 1031486424 /nfs/dbraw/zinc/48/64/24/1031486424.db2.gz MQPWMGJJNHCACF-MJGOQNOKSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000449156052 1031487429 /nfs/dbraw/zinc/48/74/29/1031487429.db2.gz MQPWMGJJNHCACF-PKOBYXMFSA-N 2 2 330.516 4.055 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000124060518 1031503978 /nfs/dbraw/zinc/50/39/78/1031503978.db2.gz PTUZNIULNUYFCP-SFHVURJKSA-N 2 2 327.378 4.391 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000449210325 1031534375 /nfs/dbraw/zinc/53/43/75/1031534375.db2.gz QCJLFAGLZMRAQI-IKVWTGGYSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2sccc21 ZINC000453059670 1031549271 /nfs/dbraw/zinc/54/92/71/1031549271.db2.gz MXYZVJDSYSCSSG-RHSMWYFYSA-N 2 2 327.497 4.340 20 0 EIADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449268549 1031588047 /nfs/dbraw/zinc/58/80/47/1031588047.db2.gz HRYKDWUFMSBZIO-INIZCTEOSA-N 2 2 347.547 4.420 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111093 1031604212 /nfs/dbraw/zinc/60/42/12/1031604212.db2.gz AYJPXFRDRPNOQA-YESZJQIVSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111093 1031604220 /nfs/dbraw/zinc/60/42/20/1031604220.db2.gz AYJPXFRDRPNOQA-YESZJQIVSA-N 2 2 325.456 4.007 20 0 EIADLP CCc1noc(C)c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449340081 1031639590 /nfs/dbraw/zinc/63/95/90/1031639590.db2.gz MJBFGPXESUAVBY-UHFFFAOYSA-N 2 2 335.536 4.314 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453174809 1031646986 /nfs/dbraw/zinc/64/69/86/1031646986.db2.gz PCWJSJOEUBWCAK-GOSISDBHSA-N 2 2 349.522 4.144 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453217763 1031735874 /nfs/dbraw/zinc/73/58/74/1031735874.db2.gz JHQNVEXHNATKOF-RDJZCZTQSA-N 2 2 335.476 4.412 20 0 EIADLP CC(C)[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1cccnc1 ZINC000453243626 1031797854 /nfs/dbraw/zinc/79/78/54/1031797854.db2.gz ZLXQKVCRAJDMSX-LJQANCHMSA-N 2 2 340.858 4.408 20 0 EIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000459326629 1031819088 /nfs/dbraw/zinc/81/90/88/1031819088.db2.gz NDMJXPUGCXYPKJ-ZDUSSCGKSA-N 2 2 325.378 4.065 20 0 EIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000459326629 1031819091 /nfs/dbraw/zinc/81/90/91/1031819091.db2.gz NDMJXPUGCXYPKJ-ZDUSSCGKSA-N 2 2 325.378 4.065 20 0 EIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000531951895 1031866155 /nfs/dbraw/zinc/86/61/55/1031866155.db2.gz FOFCDLAOFRDKDN-LQWHRVPQSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000531951895 1031866160 /nfs/dbraw/zinc/86/61/60/1031866160.db2.gz FOFCDLAOFRDKDN-LQWHRVPQSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(F)c2)c1 ZINC000453376692 1031926693 /nfs/dbraw/zinc/92/66/93/1031926693.db2.gz YRFNHFSVELKRSZ-KBRMVUAJSA-N 2 2 338.470 4.438 20 0 EIADLP Cc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(F)c2)c1 ZINC000453376692 1031926709 /nfs/dbraw/zinc/92/67/09/1031926709.db2.gz YRFNHFSVELKRSZ-KBRMVUAJSA-N 2 2 338.470 4.438 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc(C3CC3)cc2)[nH+]1 ZINC000459363868 1031949323 /nfs/dbraw/zinc/94/93/23/1031949323.db2.gz JLGWSNGEFPXPNU-UHFFFAOYSA-N 2 2 331.463 4.141 20 0 EIADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000193431116 1032048286 /nfs/dbraw/zinc/04/82/86/1032048286.db2.gz SCQMKIKEOFCBHW-LAUBAEHRSA-N 2 2 335.451 4.301 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894058377 1033299441 /nfs/dbraw/zinc/29/94/41/1033299441.db2.gz SMZQLSBAXDGHGH-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894058377 1033299456 /nfs/dbraw/zinc/29/94/56/1033299456.db2.gz SMZQLSBAXDGHGH-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345740104 1035298998 /nfs/dbraw/zinc/29/89/98/1035298998.db2.gz RVNLPGAGKICMPI-LBPRGKRZSA-N 2 2 339.361 4.249 20 0 EIADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000501036741 1035361469 /nfs/dbraw/zinc/36/14/69/1035361469.db2.gz OUAYCPQELGXEQE-CQSZACIVSA-N 2 2 325.378 4.028 20 0 EIADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000501036741 1035361474 /nfs/dbraw/zinc/36/14/74/1035361474.db2.gz OUAYCPQELGXEQE-CQSZACIVSA-N 2 2 325.378 4.028 20 0 EIADLP CC[C@H](C)c1ccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420368805 1035549561 /nfs/dbraw/zinc/54/95/61/1035549561.db2.gz IKRPEEDGMTXDBQ-KBXCAEBGSA-N 2 2 344.503 4.264 20 0 EIADLP Brc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000588161150 1036232285 /nfs/dbraw/zinc/23/22/85/1036232285.db2.gz GKOCIBQEFFOMIP-QWHCGFSZSA-N 2 2 346.272 4.036 20 0 EIADLP Brc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000588161150 1036232292 /nfs/dbraw/zinc/23/22/92/1036232292.db2.gz GKOCIBQEFFOMIP-QWHCGFSZSA-N 2 2 346.272 4.036 20 0 EIADLP Cc1sc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001232295409 1036936470 /nfs/dbraw/zinc/93/64/70/1036936470.db2.gz FLHKWKABXQJGMQ-UHFFFAOYSA-N 2 2 345.350 4.124 20 0 EIADLP Cc1sc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001232295409 1036936489 /nfs/dbraw/zinc/93/64/89/1036936489.db2.gz FLHKWKABXQJGMQ-UHFFFAOYSA-N 2 2 345.350 4.124 20 0 EIADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000700826716 1036983522 /nfs/dbraw/zinc/98/35/22/1036983522.db2.gz LHQVPYHDTPRJLG-LLVKDONJSA-N 2 2 335.706 4.468 20 0 EIADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000700826716 1036983548 /nfs/dbraw/zinc/98/35/48/1036983548.db2.gz LHQVPYHDTPRJLG-LLVKDONJSA-N 2 2 335.706 4.468 20 0 EIADLP Fc1ccc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1 ZINC000271896188 1037049961 /nfs/dbraw/zinc/04/99/61/1037049961.db2.gz XCTDIKZHEGQLBA-NRFANRHFSA-N 2 2 335.426 4.311 20 0 EIADLP Cc1cccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272200450 1037127132 /nfs/dbraw/zinc/12/71/32/1037127132.db2.gz IZGJVSOFJKTSLL-QGZVFWFLSA-N 2 2 338.499 4.094 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272656413 1037256110 /nfs/dbraw/zinc/25/61/10/1037256110.db2.gz LUIRDRAGOPTDCA-RYRKJORJSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272656413 1037256139 /nfs/dbraw/zinc/25/61/39/1037256139.db2.gz LUIRDRAGOPTDCA-RYRKJORJSA-N 2 2 329.513 4.013 20 0 EIADLP Clc1cscc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669714402 1037358758 /nfs/dbraw/zinc/35/87/58/1037358758.db2.gz GYDHLAQKTUJDEG-ZDUSSCGKSA-N 2 2 335.904 4.314 20 0 EIADLP Clc1cscc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669714402 1037358773 /nfs/dbraw/zinc/35/87/73/1037358773.db2.gz GYDHLAQKTUJDEG-ZDUSSCGKSA-N 2 2 335.904 4.314 20 0 EIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)C(C)(C)C ZINC000604770816 1037509945 /nfs/dbraw/zinc/50/99/45/1037509945.db2.gz KIHABWSGQGCBAP-OAHLLOKOSA-N 2 2 345.300 4.044 20 0 EIADLP Fc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503405658 1037742750 /nfs/dbraw/zinc/74/27/50/1037742750.db2.gz KMHCCALRGVCOLW-GOSISDBHSA-N 2 2 341.474 4.171 20 0 EIADLP Fc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503405658 1037742775 /nfs/dbraw/zinc/74/27/75/1037742775.db2.gz KMHCCALRGVCOLW-GOSISDBHSA-N 2 2 341.474 4.171 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCCc3ccccc3)C2)n2c1CCCC2 ZINC000503415130 1037746434 /nfs/dbraw/zinc/74/64/34/1037746434.db2.gz IFJRZZZVIPNEIH-HXUWFJFHSA-N 2 2 337.511 4.422 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCCc3ccccc3)C2)n2c1CCCC2 ZINC000503415130 1037746462 /nfs/dbraw/zinc/74/64/62/1037746462.db2.gz IFJRZZZVIPNEIH-HXUWFJFHSA-N 2 2 337.511 4.422 20 0 EIADLP C[NH2+]C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000414672178 1037765827 /nfs/dbraw/zinc/76/58/27/1037765827.db2.gz NHUZJLLTHJPKKH-UHFFFAOYSA-N 2 2 344.886 4.103 20 0 EIADLP Cc1sc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C(C)C ZINC000422702701 1037802658 /nfs/dbraw/zinc/80/26/58/1037802658.db2.gz FWAYCBFKFXZDKP-IRXDYDNUSA-N 2 2 329.513 4.158 20 0 EIADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OCCC(C)C)c1 ZINC000422866543 1037848239 /nfs/dbraw/zinc/84/82/39/1037848239.db2.gz QPADIZZVKIKWLD-MRXNPFEDSA-N 2 2 327.472 4.078 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422863353 1037849062 /nfs/dbraw/zinc/84/90/62/1037849062.db2.gz OUQPWJPPLJMMGB-YADHBBJMSA-N 2 2 338.495 4.024 20 0 EIADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OCCC(C)C)c1 ZINC000422866542 1037849208 /nfs/dbraw/zinc/84/92/08/1037849208.db2.gz QPADIZZVKIKWLD-INIZCTEOSA-N 2 2 327.472 4.078 20 0 EIADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000422972896 1037893498 /nfs/dbraw/zinc/89/34/98/1037893498.db2.gz AVIPPPVXSUCALR-BEVDRBHNSA-N 2 2 339.483 4.129 20 0 EIADLP Clc1cccc(Cl)c1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423088849 1037949551 /nfs/dbraw/zinc/94/95/51/1037949551.db2.gz QZCFQIWFHYHWOK-FUNVUKJBSA-N 2 2 325.283 4.245 20 0 EIADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2cc(Cl)ccc2o1 ZINC000423190198 1038046095 /nfs/dbraw/zinc/04/60/95/1038046095.db2.gz QLMICJBURKCRKO-CQSZACIVSA-N 2 2 343.858 4.312 20 0 EIADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC000423235554 1038054666 /nfs/dbraw/zinc/05/46/66/1038054666.db2.gz GMBGKGFMNIGAEL-QZTJIDSGSA-N 2 2 349.503 4.477 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423271883 1038100859 /nfs/dbraw/zinc/10/08/59/1038100859.db2.gz YHNMTLQVNVFZNO-RHSMWYFYSA-N 2 2 331.529 4.066 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC[NH2+]1 ZINC000423387568 1038198598 /nfs/dbraw/zinc/19/85/98/1038198598.db2.gz SLZLGDOIDROTAZ-QPJICYPMSA-N 2 2 349.453 4.193 20 0 EIADLP C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423419318 1038208745 /nfs/dbraw/zinc/20/87/45/1038208745.db2.gz VSQMANZTUPIJOP-INIZCTEOSA-N 2 2 332.451 4.081 20 0 EIADLP COc1ccccc1/C=C/C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075428 1038499921 /nfs/dbraw/zinc/49/99/21/1038499921.db2.gz VXJYWFCYWZYLBW-GPVYEGESSA-N 2 2 347.462 4.016 20 0 EIADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@@H]1[NH3+] ZINC000647934890 1038708567 /nfs/dbraw/zinc/70/85/67/1038708567.db2.gz TUZVKRVANMIQEJ-WFASDCNBSA-N 2 2 335.904 4.023 20 0 EIADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC[C@@H]1[NH3+] ZINC000647934890 1038708598 /nfs/dbraw/zinc/70/85/98/1038708598.db2.gz TUZVKRVANMIQEJ-WFASDCNBSA-N 2 2 335.904 4.023 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)cc1 ZINC000480745782 1038783232 /nfs/dbraw/zinc/78/32/32/1038783232.db2.gz XHLHTSQKMGOGGO-JOCHJYFZSA-N 2 2 349.453 4.280 20 0 EIADLP CCCCc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000480746199 1038784431 /nfs/dbraw/zinc/78/44/31/1038784431.db2.gz FVTNINBMMJWUJP-QGZVFWFLSA-N 2 2 325.500 4.455 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000480764248 1038787208 /nfs/dbraw/zinc/78/72/08/1038787208.db2.gz IAOJWBHJNXDQIN-KGLIPLIRSA-N 2 2 329.444 4.490 20 0 EIADLP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550754221 1038899725 /nfs/dbraw/zinc/89/97/25/1038899725.db2.gz RISJLTJIYDIYOO-CTNGQTDRSA-N 2 2 336.479 4.109 20 0 EIADLP COc1cccc(C2([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550754221 1038899730 /nfs/dbraw/zinc/89/97/30/1038899730.db2.gz RISJLTJIYDIYOO-CTNGQTDRSA-N 2 2 336.479 4.109 20 0 EIADLP CC[N@@H+](Cc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617391 1038904149 /nfs/dbraw/zinc/90/41/49/1038904149.db2.gz IMXGDEGNIJEYAS-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[N@H+](Cc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617391 1038904180 /nfs/dbraw/zinc/90/41/80/1038904180.db2.gz IMXGDEGNIJEYAS-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CCCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000537617817 1038937200 /nfs/dbraw/zinc/93/72/00/1038937200.db2.gz DZBZULXDYXTMOJ-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000537617817 1038937214 /nfs/dbraw/zinc/93/72/14/1038937214.db2.gz DZBZULXDYXTMOJ-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000537617817 1038937228 /nfs/dbraw/zinc/93/72/28/1038937228.db2.gz DZBZULXDYXTMOJ-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000537617817 1038937240 /nfs/dbraw/zinc/93/72/40/1038937240.db2.gz DZBZULXDYXTMOJ-IEBWSBKVSA-N 2 2 348.531 4.179 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3ccc(Cl)cc31)CCC2 ZINC000534238850 1039235714 /nfs/dbraw/zinc/23/57/14/1039235714.db2.gz MPYWLPZWLLBCCV-CRAIPNDOSA-N 2 2 329.875 4.390 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000481308493 1039251950 /nfs/dbraw/zinc/25/19/50/1039251950.db2.gz MSJSPZZLKASWOJ-KRWDZBQOSA-N 2 2 326.484 4.466 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546662 1039352306 /nfs/dbraw/zinc/35/23/06/1039352306.db2.gz BACGIACUGWMAQQ-FDDCHVKYSA-N 2 2 349.522 4.349 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546662 1039352317 /nfs/dbraw/zinc/35/23/17/1039352317.db2.gz BACGIACUGWMAQQ-FDDCHVKYSA-N 2 2 349.522 4.349 20 0 EIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3csc(C(C)C)n3)C1)CCCC2 ZINC000434504673 1039547055 /nfs/dbraw/zinc/54/70/55/1039547055.db2.gz VOZCATCKYCATGY-MRXNPFEDSA-N 2 2 344.528 4.097 20 0 EIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3csc(C(C)C)n3)C1)CCCC2 ZINC000434504673 1039547063 /nfs/dbraw/zinc/54/70/63/1039547063.db2.gz VOZCATCKYCATGY-MRXNPFEDSA-N 2 2 344.528 4.097 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563747 1039715483 /nfs/dbraw/zinc/71/54/83/1039715483.db2.gz QZVOWJKYKWGKDF-KRWDZBQOSA-N 2 2 333.545 4.251 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563747 1039715507 /nfs/dbraw/zinc/71/55/07/1039715507.db2.gz QZVOWJKYKWGKDF-KRWDZBQOSA-N 2 2 333.545 4.251 20 0 EIADLP c1csc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000093683697 1039731788 /nfs/dbraw/zinc/73/17/88/1039731788.db2.gz NNJIDXQECXVNNH-HNNXBMFYSA-N 2 2 347.553 4.179 20 0 EIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000093683697 1039731813 /nfs/dbraw/zinc/73/18/13/1039731813.db2.gz NNJIDXQECXVNNH-HNNXBMFYSA-N 2 2 347.553 4.179 20 0 EIADLP Fc1c(Cl)cccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677470 1039811480 /nfs/dbraw/zinc/81/14/80/1039811480.db2.gz WZUJADZFUFCTQK-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087055 1039965388 /nfs/dbraw/zinc/96/53/88/1039965388.db2.gz LMGTZECDBPDIPU-ZTQAJYAQSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087055 1039965410 /nfs/dbraw/zinc/96/54/10/1039965410.db2.gz LMGTZECDBPDIPU-ZTQAJYAQSA-N 2 2 330.422 4.451 20 0 EIADLP c1cc2c(cccc2C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)[nH]1 ZINC000482040759 1039983788 /nfs/dbraw/zinc/98/37/88/1039983788.db2.gz MCBDLEFCJDIUAL-UHFFFAOYSA-N 2 2 343.540 4.009 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000551212035 1040063373 /nfs/dbraw/zinc/06/33/73/1040063373.db2.gz PZSACWVQCKSONO-AWEZNQCLSA-N 2 2 349.931 4.283 20 0 EIADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000551212035 1040063396 /nfs/dbraw/zinc/06/33/96/1040063396.db2.gz PZSACWVQCKSONO-AWEZNQCLSA-N 2 2 349.931 4.283 20 0 EIADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](CC)CC)cc1 ZINC000551228591 1040072018 /nfs/dbraw/zinc/07/20/18/1040072018.db2.gz JRRFSULDMOZGLF-LAUBAEHRSA-N 2 2 332.532 4.037 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479331212 1040276580 /nfs/dbraw/zinc/27/65/80/1040276580.db2.gz PDNYGZFRNJKCHN-MLGOLLRUSA-N 2 2 348.288 4.046 20 0 EIADLP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000553583643 1040330426 /nfs/dbraw/zinc/33/04/26/1040330426.db2.gz JMUKMVCISNDIAA-UHFFFAOYSA-N 2 2 333.479 4.420 20 0 EIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356337 1040334134 /nfs/dbraw/zinc/33/41/34/1040334134.db2.gz PLKBBCNTYOMVCW-UHFFFAOYSA-N 2 2 327.299 4.266 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000553608118 1040339711 /nfs/dbraw/zinc/33/97/11/1040339711.db2.gz WJLGNSFBLOBLIR-UHFFFAOYSA-N 2 2 329.831 4.319 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000553608118 1040339727 /nfs/dbraw/zinc/33/97/27/1040339727.db2.gz WJLGNSFBLOBLIR-UHFFFAOYSA-N 2 2 329.831 4.319 20 0 EIADLP Fc1cc(Cl)cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435388502 1040341846 /nfs/dbraw/zinc/34/18/46/1040341846.db2.gz GAEWKMNEJXZSSN-LJQANCHMSA-N 2 2 347.865 4.018 20 0 EIADLP Fc1cc(Cl)cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435388502 1040341862 /nfs/dbraw/zinc/34/18/62/1040341862.db2.gz GAEWKMNEJXZSSN-LJQANCHMSA-N 2 2 347.865 4.018 20 0 EIADLP CC(C)C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cccs1 ZINC000482544293 1040342667 /nfs/dbraw/zinc/34/26/67/1040342667.db2.gz RLFQTAZIMHCGOZ-QGZVFWFLSA-N 2 2 336.545 4.070 20 0 EIADLP CC1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000479488590 1040419540 /nfs/dbraw/zinc/41/95/40/1040419540.db2.gz JIMSMXDEUIRARH-YWDUDDICSA-N 2 2 329.532 4.098 20 0 EIADLP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000479488590 1040419548 /nfs/dbraw/zinc/41/95/48/1040419548.db2.gz JIMSMXDEUIRARH-YWDUDDICSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(C)(C)c1ccccc1)CCC2 ZINC000539496635 1040489063 /nfs/dbraw/zinc/48/90/63/1040489063.db2.gz PVCXJGMEBDMPDN-AEFFLSMTSA-N 2 2 325.500 4.415 20 0 EIADLP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000435728477 1040563976 /nfs/dbraw/zinc/56/39/76/1040563976.db2.gz MJJSKDGGIXQRHN-SAZUREKKSA-N 2 2 345.418 4.248 20 0 EIADLP Cc1ccc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539658508 1040657137 /nfs/dbraw/zinc/65/71/37/1040657137.db2.gz AOXGSVFCPCAJLU-PKOBYXMFSA-N 2 2 338.499 4.012 20 0 EIADLP Cc1cccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)c(C)c[nH+]c12 ZINC000462506800 1040680586 /nfs/dbraw/zinc/68/05/86/1040680586.db2.gz WUEGTOJARMCQDW-UHFFFAOYSA-N 2 2 342.446 4.130 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000483146062 1040737175 /nfs/dbraw/zinc/73/71/75/1040737175.db2.gz QKRXHBUAYQZFMT-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816804 1040809933 /nfs/dbraw/zinc/80/99/33/1040809933.db2.gz DIRFXEZYNUPJKL-DOMZBBRYSA-N 2 2 345.314 4.307 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816804 1040809935 /nfs/dbraw/zinc/80/99/35/1040809935.db2.gz DIRFXEZYNUPJKL-DOMZBBRYSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816804 1040809936 /nfs/dbraw/zinc/80/99/36/1040809936.db2.gz DIRFXEZYNUPJKL-DOMZBBRYSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816804 1040809938 /nfs/dbraw/zinc/80/99/38/1040809938.db2.gz DIRFXEZYNUPJKL-DOMZBBRYSA-N 2 2 345.314 4.307 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817865 1040811856 /nfs/dbraw/zinc/81/18/56/1040811856.db2.gz UKJVMBMRDHIVBV-MJGOQNOKSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817865 1040811860 /nfs/dbraw/zinc/81/18/60/1040811860.db2.gz UKJVMBMRDHIVBV-MJGOQNOKSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817865 1040811865 /nfs/dbraw/zinc/81/18/65/1040811865.db2.gz UKJVMBMRDHIVBV-MJGOQNOKSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)C[C@H]1C ZINC000539817865 1040811870 /nfs/dbraw/zinc/81/18/70/1040811870.db2.gz UKJVMBMRDHIVBV-MJGOQNOKSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819386 1040814888 /nfs/dbraw/zinc/81/48/88/1040814888.db2.gz CPOPROBYFOXWBJ-MLGOLLRUSA-N 2 2 345.314 4.164 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819386 1040814891 /nfs/dbraw/zinc/81/48/91/1040814891.db2.gz CPOPROBYFOXWBJ-MLGOLLRUSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819386 1040814897 /nfs/dbraw/zinc/81/48/97/1040814897.db2.gz CPOPROBYFOXWBJ-MLGOLLRUSA-N 2 2 345.314 4.164 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)[C@H](C)C1 ZINC000539819386 1040814906 /nfs/dbraw/zinc/81/49/06/1040814906.db2.gz CPOPROBYFOXWBJ-MLGOLLRUSA-N 2 2 345.314 4.164 20 0 EIADLP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)c(OCCC)c1 ZINC000480021876 1040868147 /nfs/dbraw/zinc/86/81/47/1040868147.db2.gz OGGQNBLUMTVOTH-QGZVFWFLSA-N 2 2 348.531 4.399 20 0 EIADLP Cc1cc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1Cl ZINC000462805910 1040973556 /nfs/dbraw/zinc/97/35/56/1040973556.db2.gz WEEKYKXSDCYMOJ-UHFFFAOYSA-N 2 2 348.840 4.197 20 0 EIADLP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000462836831 1041019135 /nfs/dbraw/zinc/01/91/35/1041019135.db2.gz DNWZSONLJQVGCG-VGSWGCGISA-N 2 2 335.495 4.354 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cn1 ZINC000480164274 1041024458 /nfs/dbraw/zinc/02/44/58/1041024458.db2.gz GGHCBKBNGMODJF-JTDSTZFVSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cn1 ZINC000480164274 1041024466 /nfs/dbraw/zinc/02/44/66/1041024466.db2.gz GGHCBKBNGMODJF-JTDSTZFVSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc2ccccc2n1 ZINC000480171298 1041029737 /nfs/dbraw/zinc/02/97/37/1041029737.db2.gz QIBFEPPDRODURB-SFHVURJKSA-N 2 2 333.479 4.408 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2ccccc2n1 ZINC000480171298 1041029755 /nfs/dbraw/zinc/02/97/55/1041029755.db2.gz QIBFEPPDRODURB-SFHVURJKSA-N 2 2 333.479 4.408 20 0 EIADLP Cc1ccc2c(C)cc(N3CCC(Cc4[nH+]ccn4C)CC3)[nH+]c2c1 ZINC000460946472 1041052220 /nfs/dbraw/zinc/05/22/20/1041052220.db2.gz CFDORRIPEOUWSV-UHFFFAOYSA-N 2 2 334.467 4.044 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)c1C ZINC000483857244 1041055876 /nfs/dbraw/zinc/05/58/76/1041055876.db2.gz SWXPLBOPHUHNSL-LPHOPBHVSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)c1C ZINC000483857244 1041055894 /nfs/dbraw/zinc/05/58/94/1041055894.db2.gz SWXPLBOPHUHNSL-LPHOPBHVSA-N 2 2 339.483 4.063 20 0 EIADLP CC[C@@H]([NH2+]CC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)c1cnn(C)c1 ZINC000484128110 1041126201 /nfs/dbraw/zinc/12/62/01/1041126201.db2.gz IMAZNXRDVGWVJZ-FXAWDEMLSA-N 2 2 342.531 4.370 20 0 EIADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540173658 1041220130 /nfs/dbraw/zinc/22/01/30/1041220130.db2.gz HGHVAIYIXKKUIN-OXJNMPFZSA-N 2 2 333.435 4.273 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2CC(C(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000436471865 1041269632 /nfs/dbraw/zinc/26/96/32/1041269632.db2.gz WLYHQGFPTVYJMV-KKXNLOMOSA-N 2 2 344.543 4.301 20 0 EIADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000436485738 1041285128 /nfs/dbraw/zinc/28/51/28/1041285128.db2.gz LEEWWYAQHIQJFJ-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000436485738 1041285149 /nfs/dbraw/zinc/28/51/49/1041285149.db2.gz LEEWWYAQHIQJFJ-UHFFFAOYSA-N 2 2 338.495 4.100 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000484494386 1041300975 /nfs/dbraw/zinc/30/09/75/1041300975.db2.gz VXVXPKYDOSFCQZ-FUHIMQAGSA-N 2 2 326.484 4.403 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000484494386 1041300990 /nfs/dbraw/zinc/30/09/90/1041300990.db2.gz VXVXPKYDOSFCQZ-FUHIMQAGSA-N 2 2 326.484 4.403 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000480666396 1041460491 /nfs/dbraw/zinc/46/04/91/1041460491.db2.gz DWTMGTNLOBNSAT-XMSQKQJNSA-N 2 2 337.511 4.205 20 0 EIADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000480666396 1041460498 /nfs/dbraw/zinc/46/04/98/1041460498.db2.gz DWTMGTNLOBNSAT-XMSQKQJNSA-N 2 2 337.511 4.205 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000554890514 1041474134 /nfs/dbraw/zinc/47/41/34/1041474134.db2.gz ZOMKCSTUCRJKNY-FGZHOGPDSA-N 2 2 331.463 4.357 20 0 EIADLP CC[N@H+](CCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1)CC1CC1 ZINC000538928776 1041580468 /nfs/dbraw/zinc/58/04/68/1041580468.db2.gz VNESOXWVCBXILS-UHFFFAOYSA-N 2 2 342.531 4.001 20 0 EIADLP CC[N@@H+](CCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1)CC1CC1 ZINC000538928776 1041580473 /nfs/dbraw/zinc/58/04/73/1041580473.db2.gz VNESOXWVCBXILS-UHFFFAOYSA-N 2 2 342.531 4.001 20 0 EIADLP c1csc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)c1 ZINC000538987572 1041602608 /nfs/dbraw/zinc/60/26/08/1041602608.db2.gz DDLUFMJUEZNQDL-IBGZPJMESA-N 2 2 348.556 4.214 20 0 EIADLP COc1ccccc1/C=C\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000516685609 1041707185 /nfs/dbraw/zinc/70/71/85/1041707185.db2.gz DCCIDVYQBSOKKH-YVMONPNESA-N 2 2 339.483 4.097 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000467353801 1041717370 /nfs/dbraw/zinc/71/73/70/1041717370.db2.gz LGWCTGBRAVOOBJ-PKOBYXMFSA-N 2 2 329.875 4.372 20 0 EIADLP C[C@@H](c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(F)(F)F ZINC000517387881 1042000511 /nfs/dbraw/zinc/00/05/11/1042000511.db2.gz OULRQPKAOIGLST-RRQGHBQHSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@@H](c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(F)(F)F ZINC000517387881 1042000521 /nfs/dbraw/zinc/00/05/21/1042000521.db2.gz OULRQPKAOIGLST-RRQGHBQHSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@@H](c1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1)C(F)(F)F ZINC000517387881 1042000526 /nfs/dbraw/zinc/00/05/26/1042000526.db2.gz OULRQPKAOIGLST-RRQGHBQHSA-N 2 2 326.406 4.021 20 0 EIADLP C[C@@H](c1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1)C(F)(F)F ZINC000517387881 1042000536 /nfs/dbraw/zinc/00/05/36/1042000536.db2.gz OULRQPKAOIGLST-RRQGHBQHSA-N 2 2 326.406 4.021 20 0 EIADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000541746713 1042084531 /nfs/dbraw/zinc/08/45/31/1042084531.db2.gz MGRLYDAMDAPJQW-IBGZPJMESA-N 2 2 341.886 4.371 20 0 EIADLP C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834064 1042179749 /nfs/dbraw/zinc/17/97/49/1042179749.db2.gz FTAKVUVQIWIBGG-GOSISDBHSA-N 2 2 328.887 4.294 20 0 EIADLP C[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834064 1042179754 /nfs/dbraw/zinc/17/97/54/1042179754.db2.gz FTAKVUVQIWIBGG-GOSISDBHSA-N 2 2 328.887 4.294 20 0 EIADLP C[NH+](Cc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834064 1042179757 /nfs/dbraw/zinc/17/97/57/1042179757.db2.gz FTAKVUVQIWIBGG-GOSISDBHSA-N 2 2 328.887 4.294 20 0 EIADLP C[NH+](Cc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834064 1042179761 /nfs/dbraw/zinc/17/97/61/1042179761.db2.gz FTAKVUVQIWIBGG-GOSISDBHSA-N 2 2 328.887 4.294 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831846 1042188890 /nfs/dbraw/zinc/18/88/90/1042188890.db2.gz KTHGZARDOMNOJZ-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831846 1042188894 /nfs/dbraw/zinc/18/88/94/1042188894.db2.gz KTHGZARDOMNOJZ-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831846 1042188897 /nfs/dbraw/zinc/18/88/97/1042188897.db2.gz KTHGZARDOMNOJZ-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831846 1042188899 /nfs/dbraw/zinc/18/88/99/1042188899.db2.gz KTHGZARDOMNOJZ-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP CCCOc1c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cccc1OCC ZINC000506340438 1042327870 /nfs/dbraw/zinc/32/78/70/1042327870.db2.gz MDHWQTGLNBVOJW-UHFFFAOYSA-N 2 2 348.531 4.179 20 0 EIADLP CCCOc1c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cccc1OCC ZINC000506340438 1042327878 /nfs/dbraw/zinc/32/78/78/1042327878.db2.gz MDHWQTGLNBVOJW-UHFFFAOYSA-N 2 2 348.531 4.179 20 0 EIADLP FC1(F)CCCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000491560557 1042466261 /nfs/dbraw/zinc/46/62/61/1042466261.db2.gz PUAZCPNZODTDDV-CYBMUJFWSA-N 2 2 325.428 4.239 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000492067381 1042546019 /nfs/dbraw/zinc/54/60/19/1042546019.db2.gz XEFDYMDICGCKDO-HNNXBMFYSA-N 2 2 333.863 4.230 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000492067381 1042546023 /nfs/dbraw/zinc/54/60/23/1042546023.db2.gz XEFDYMDICGCKDO-HNNXBMFYSA-N 2 2 333.863 4.230 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000426330907 1042567609 /nfs/dbraw/zinc/56/76/09/1042567609.db2.gz OSRQVBYQPFXBIY-QAPCUYQASA-N 2 2 333.520 4.068 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000439480998 1042659246 /nfs/dbraw/zinc/65/92/46/1042659246.db2.gz XJZSMYBHUMAHBO-UHFFFAOYSA-N 2 2 326.484 4.428 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)Cc1ccsc1 ZINC000426486742 1042759239 /nfs/dbraw/zinc/75/92/39/1042759239.db2.gz QRAZCWNCBHROSX-INIZCTEOSA-N 2 2 325.481 4.387 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)Cc1ccsc1 ZINC000426486742 1042759247 /nfs/dbraw/zinc/75/92/47/1042759247.db2.gz QRAZCWNCBHROSX-INIZCTEOSA-N 2 2 325.481 4.387 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168449577 1042866432 /nfs/dbraw/zinc/86/64/32/1042866432.db2.gz WYZZREOJWMZJCY-OAQYLSRUSA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168449577 1042866433 /nfs/dbraw/zinc/86/64/33/1042866433.db2.gz WYZZREOJWMZJCY-OAQYLSRUSA-N 2 2 330.491 4.022 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278729 1042891817 /nfs/dbraw/zinc/89/18/17/1042891817.db2.gz VKLLLNWGLQMDIF-QOKNQOGYSA-N 2 2 347.503 4.406 20 0 EIADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278729 1042891813 /nfs/dbraw/zinc/89/18/13/1042891813.db2.gz VKLLLNWGLQMDIF-QOKNQOGYSA-N 2 2 347.503 4.406 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000507786829 1042938255 /nfs/dbraw/zinc/93/82/55/1042938255.db2.gz ZUPAFEMUIYJHDM-OXJNMPFZSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000507786829 1042938263 /nfs/dbraw/zinc/93/82/63/1042938263.db2.gz ZUPAFEMUIYJHDM-OXJNMPFZSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786829 1042938270 /nfs/dbraw/zinc/93/82/70/1042938270.db2.gz ZUPAFEMUIYJHDM-OXJNMPFZSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786829 1042938280 /nfs/dbraw/zinc/93/82/80/1042938280.db2.gz ZUPAFEMUIYJHDM-OXJNMPFZSA-N 2 2 326.459 4.407 20 0 EIADLP COC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000493897480 1042980717 /nfs/dbraw/zinc/98/07/17/1042980717.db2.gz OMLIYYHFTCTJHR-IBGZPJMESA-N 2 2 341.842 4.003 20 0 EIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nc2ccccc2o1 ZINC000184745132 1043010722 /nfs/dbraw/zinc/01/07/22/1043010722.db2.gz HCYIBNKXSIVQDB-IRXDYDNUSA-N 2 2 349.478 4.074 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000507808693 1043034049 /nfs/dbraw/zinc/03/40/49/1043034049.db2.gz BXATXXREATZLGH-GOSISDBHSA-N 2 2 340.467 4.380 20 0 EIADLP c1cc(Oc2ccccc2)oc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000507808693 1043034057 /nfs/dbraw/zinc/03/40/57/1043034057.db2.gz BXATXXREATZLGH-GOSISDBHSA-N 2 2 340.467 4.380 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168743071 1043089279 /nfs/dbraw/zinc/08/92/79/1043089279.db2.gz IVDOUKVVWMNKFH-GOSISDBHSA-N 2 2 337.854 4.125 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168743071 1043089290 /nfs/dbraw/zinc/08/92/90/1043089290.db2.gz IVDOUKVVWMNKFH-GOSISDBHSA-N 2 2 337.854 4.125 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991123 1043093084 /nfs/dbraw/zinc/09/30/84/1043093084.db2.gz CSLXOZKHQXOAAI-HOTGVXAUSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991123 1043093100 /nfs/dbraw/zinc/09/31/00/1043093100.db2.gz CSLXOZKHQXOAAI-HOTGVXAUSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991123 1043093115 /nfs/dbraw/zinc/09/31/15/1043093115.db2.gz CSLXOZKHQXOAAI-HOTGVXAUSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991123 1043093128 /nfs/dbraw/zinc/09/31/28/1043093128.db2.gz CSLXOZKHQXOAAI-HOTGVXAUSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991125 1043094943 /nfs/dbraw/zinc/09/49/43/1043094943.db2.gz CSLXOZKHQXOAAI-JKSUJKDBSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991125 1043094959 /nfs/dbraw/zinc/09/49/59/1043094959.db2.gz CSLXOZKHQXOAAI-JKSUJKDBSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991125 1043094973 /nfs/dbraw/zinc/09/49/73/1043094973.db2.gz CSLXOZKHQXOAAI-JKSUJKDBSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991125 1043094983 /nfs/dbraw/zinc/09/49/83/1043094983.db2.gz CSLXOZKHQXOAAI-JKSUJKDBSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000507970176 1043209646 /nfs/dbraw/zinc/20/96/46/1043209646.db2.gz ZSCABZPBWHOSFY-AABGKKOBSA-N 2 2 344.543 4.302 20 0 EIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000427870003 1043241761 /nfs/dbraw/zinc/24/17/61/1043241761.db2.gz UDINMGDJZGTFHT-VXKWHMMOSA-N 2 2 345.490 4.388 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(c1ccccc1)c1ccccc1 ZINC000427896458 1043243234 /nfs/dbraw/zinc/24/32/34/1043243234.db2.gz PKZRKCBMQOIDKC-XLIONFOSSA-N 2 2 331.463 4.008 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427883369 1043249469 /nfs/dbraw/zinc/24/94/69/1043249469.db2.gz CDCTWAYOBAAHTA-RDJZCZTQSA-N 2 2 337.389 4.204 20 0 EIADLP C[C@H]1CC([NH2+]C2(c3ccccn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012753 1043450772 /nfs/dbraw/zinc/45/07/72/1043450772.db2.gz DQUDZQOHZFMKAX-ROUUACIJSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903347 1043656334 /nfs/dbraw/zinc/65/63/34/1043656334.db2.gz XZQVIOMGXCOADV-INIZCTEOSA-N 2 2 343.471 4.035 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060372 1043701532 /nfs/dbraw/zinc/70/15/32/1043701532.db2.gz GYSHLOPTKHUBLT-HNNXBMFYSA-N 2 2 333.426 4.415 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060373 1043703546 /nfs/dbraw/zinc/70/35/46/1043703546.db2.gz GYSHLOPTKHUBLT-OAHLLOKOSA-N 2 2 333.426 4.415 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000543066449 1043722638 /nfs/dbraw/zinc/72/26/38/1043722638.db2.gz IIFBWJLEFWEQGF-GHTZIAJQSA-N 2 2 342.531 4.068 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428254932 1043758828 /nfs/dbraw/zinc/75/88/28/1043758828.db2.gz WKZJFMZDIDVHBJ-GOSISDBHSA-N 2 2 333.520 4.024 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428254932 1043758849 /nfs/dbraw/zinc/75/88/49/1043758849.db2.gz WKZJFMZDIDVHBJ-GOSISDBHSA-N 2 2 333.520 4.024 20 0 EIADLP c1ccc([C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[NH+]2CCCC2)cc1 ZINC000442643577 1043791753 /nfs/dbraw/zinc/79/17/53/1043791753.db2.gz GLTTWJFPTYCPKN-WZONZLPQSA-N 2 2 345.490 4.062 20 0 EIADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000766080224 1043909958 /nfs/dbraw/zinc/90/99/58/1043909958.db2.gz BQVOSCNIOHYIOY-QFIPXVFZSA-N 2 2 337.511 4.075 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000442992147 1043936763 /nfs/dbraw/zinc/93/67/63/1043936763.db2.gz BUMVVXXHCVHJJL-UHFFFAOYSA-N 2 2 345.368 4.489 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000442990132 1043952502 /nfs/dbraw/zinc/95/25/02/1043952502.db2.gz FPIRDDRGAKJOLT-UHFFFAOYSA-N 2 2 337.389 4.391 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000766083110 1043960830 /nfs/dbraw/zinc/96/08/30/1043960830.db2.gz WMGVBTJPRKWSMO-DWLFOUALSA-N 2 2 337.511 4.421 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000766083110 1043960844 /nfs/dbraw/zinc/96/08/44/1043960844.db2.gz WMGVBTJPRKWSMO-DWLFOUALSA-N 2 2 337.511 4.421 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000429250121 1044268218 /nfs/dbraw/zinc/26/82/18/1044268218.db2.gz WPZPFLFPZNWPET-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000429250121 1044268246 /nfs/dbraw/zinc/26/82/46/1044268246.db2.gz WPZPFLFPZNWPET-UHFFFAOYSA-N 2 2 335.879 4.020 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319506 1044306353 /nfs/dbraw/zinc/30/63/53/1044306353.db2.gz DJQVHCABDBLOTM-AEFFLSMTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319506 1044306357 /nfs/dbraw/zinc/30/63/57/1044306357.db2.gz DJQVHCABDBLOTM-AEFFLSMTSA-N 2 2 341.524 4.096 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000194806010 1044368267 /nfs/dbraw/zinc/36/82/67/1044368267.db2.gz MXICXPZWZSQEKR-IBGZPJMESA-N 2 2 346.421 4.061 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000766192312 1044401677 /nfs/dbraw/zinc/40/16/77/1044401677.db2.gz QYQBTSYRYOKWKG-UHFFFAOYSA-N 2 2 329.532 4.424 20 0 EIADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1OCC ZINC000675833492 1044520891 /nfs/dbraw/zinc/52/08/91/1044520891.db2.gz KRUMSXBYLNEQSN-RTBURBONSA-N 2 2 346.515 4.009 20 0 EIADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1OCC ZINC000675833492 1044520905 /nfs/dbraw/zinc/52/09/05/1044520905.db2.gz KRUMSXBYLNEQSN-RTBURBONSA-N 2 2 346.515 4.009 20 0 EIADLP C[C@H](CCc1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921141 1044563641 /nfs/dbraw/zinc/56/36/41/1044563641.db2.gz VXDQEXYEIVDSQX-WIYYLYMNSA-N 2 2 333.479 4.315 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920475 1044564752 /nfs/dbraw/zinc/56/47/52/1044564752.db2.gz RVKUANQJTKTTKF-OXQOHEQNSA-N 2 2 335.451 4.063 20 0 EIADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923950 1044565945 /nfs/dbraw/zinc/56/59/45/1044565945.db2.gz VXSRDQDDEXPSES-APWZRJJASA-N 2 2 335.451 4.063 20 0 EIADLP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998282 1044588042 /nfs/dbraw/zinc/58/80/42/1044588042.db2.gz RJIFXYLDQBDHDQ-MTGBVXMYSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998282 1044588063 /nfs/dbraw/zinc/58/80/63/1044588063.db2.gz RJIFXYLDQBDHDQ-MTGBVXMYSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000494998282 1044588082 /nfs/dbraw/zinc/58/80/82/1044588082.db2.gz RJIFXYLDQBDHDQ-MTGBVXMYSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000494998282 1044588103 /nfs/dbraw/zinc/58/81/03/1044588103.db2.gz RJIFXYLDQBDHDQ-MTGBVXMYSA-N 2 2 347.506 4.081 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2ccc(O)cc2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024365 1044615002 /nfs/dbraw/zinc/61/50/02/1044615002.db2.gz FQSDWTKSFKSVKV-HZPDHXFCSA-N 2 2 342.458 4.063 20 0 EIADLP C[C@H]1CC([NH2+]C(C)(C)c2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025315 1044645835 /nfs/dbraw/zinc/64/58/35/1044645835.db2.gz JIYBNMRSBPWCMS-ROUUACIJSA-N 2 2 337.511 4.348 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000676568942 1044793748 /nfs/dbraw/zinc/79/37/48/1044793748.db2.gz PAZIQYPATHRTJD-LJQANCHMSA-N 2 2 331.419 4.240 20 0 EIADLP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000676643428 1044812478 /nfs/dbraw/zinc/81/24/78/1044812478.db2.gz JSXNHMPVVBNPTM-SFHVURJKSA-N 2 2 337.511 4.349 20 0 EIADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000895672149 1044848540 /nfs/dbraw/zinc/84/85/40/1044848540.db2.gz QGMKZVUWVRQQFT-UHFFFAOYSA-N 2 2 335.904 4.010 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3c(Cl)cccc31)CCC2 ZINC000543596890 1044886156 /nfs/dbraw/zinc/88/61/56/1044886156.db2.gz XLAKOYUZPHFWLZ-RDTXWAMCSA-N 2 2 329.875 4.390 20 0 EIADLP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000673616066 1044943864 /nfs/dbraw/zinc/94/38/64/1044943864.db2.gz FVBFPWVBNMGAHU-NVXWUHKLSA-N 2 2 337.389 4.331 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347913514 1044998546 /nfs/dbraw/zinc/99/85/46/1044998546.db2.gz AEMWYYDXMLOGKU-ROUUACIJSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347913514 1044998550 /nfs/dbraw/zinc/99/85/50/1044998550.db2.gz AEMWYYDXMLOGKU-ROUUACIJSA-N 3 2 340.515 4.096 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000474479561 1045019880 /nfs/dbraw/zinc/01/98/80/1045019880.db2.gz YFBHHQZIWDXNKF-JYJNAYRXSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000474479561 1045019892 /nfs/dbraw/zinc/01/98/92/1045019892.db2.gz YFBHHQZIWDXNKF-JYJNAYRXSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028674 1045837834 /nfs/dbraw/zinc/83/78/34/1045837834.db2.gz QQSJPQNSVJVFCM-CBQOVEMMSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028674 1045837835 /nfs/dbraw/zinc/83/78/35/1045837835.db2.gz QQSJPQNSVJVFCM-CBQOVEMMSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247028674 1045837836 /nfs/dbraw/zinc/83/78/36/1045837836.db2.gz QQSJPQNSVJVFCM-CBQOVEMMSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247028674 1045837838 /nfs/dbraw/zinc/83/78/38/1045837838.db2.gz QQSJPQNSVJVFCM-CBQOVEMMSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247007612 1045838332 /nfs/dbraw/zinc/83/83/32/1045838332.db2.gz LZUAJHNFCHRGRT-MTNREXPMSA-N 2 2 347.462 4.443 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790694 1045855142 /nfs/dbraw/zinc/85/51/42/1045855142.db2.gz ZBHFULFCMBSKOT-NUJGCVRESA-N 2 2 336.439 4.182 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790694 1045855148 /nfs/dbraw/zinc/85/51/48/1045855148.db2.gz ZBHFULFCMBSKOT-NUJGCVRESA-N 2 2 336.439 4.182 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790693 1045855388 /nfs/dbraw/zinc/85/53/88/1045855388.db2.gz ZBHFULFCMBSKOT-JFIYKMOQSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247790693 1045855390 /nfs/dbraw/zinc/85/53/90/1045855390.db2.gz ZBHFULFCMBSKOT-JFIYKMOQSA-N 2 2 336.439 4.182 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000248044518 1045860380 /nfs/dbraw/zinc/86/03/80/1045860380.db2.gz UNCZHDWWFJOVPK-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000248044518 1045860383 /nfs/dbraw/zinc/86/03/83/1045860383.db2.gz UNCZHDWWFJOVPK-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248557745 1045869813 /nfs/dbraw/zinc/86/98/13/1045869813.db2.gz LQHVYDXNLADJGO-AVRDEDQJSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248557745 1045869820 /nfs/dbraw/zinc/86/98/20/1045869820.db2.gz LQHVYDXNLADJGO-AVRDEDQJSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248557745 1045869823 /nfs/dbraw/zinc/86/98/23/1045869823.db2.gz LQHVYDXNLADJGO-AVRDEDQJSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000248557745 1045869827 /nfs/dbraw/zinc/86/98/27/1045869827.db2.gz LQHVYDXNLADJGO-AVRDEDQJSA-N 2 2 337.511 4.183 20 0 EIADLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248832880 1045885192 /nfs/dbraw/zinc/88/51/92/1045885192.db2.gz MSYXJAUKKMWEET-RBDMOPTHSA-N 2 2 347.462 4.443 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000036996411 1045890037 /nfs/dbraw/zinc/89/00/37/1045890037.db2.gz JWYTZUKMTWZXSJ-GVDBMIGSSA-N 2 2 337.305 4.117 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000036996411 1045890045 /nfs/dbraw/zinc/89/00/45/1045890045.db2.gz JWYTZUKMTWZXSJ-GVDBMIGSSA-N 2 2 337.305 4.117 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249371495 1045895514 /nfs/dbraw/zinc/89/55/14/1045895514.db2.gz NIYCUVXXUYJCJW-DNVCBOLYSA-N 2 2 347.890 4.087 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249371495 1045895517 /nfs/dbraw/zinc/89/55/17/1045895517.db2.gz NIYCUVXXUYJCJW-DNVCBOLYSA-N 2 2 347.890 4.087 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516936 1046005767 /nfs/dbraw/zinc/00/57/67/1046005767.db2.gz VOSDXGDAOFMXBD-CQSZACIVSA-N 2 2 332.435 4.072 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516936 1046005779 /nfs/dbraw/zinc/00/57/79/1046005779.db2.gz VOSDXGDAOFMXBD-CQSZACIVSA-N 2 2 332.435 4.072 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516936 1046005758 /nfs/dbraw/zinc/00/57/58/1046005758.db2.gz VOSDXGDAOFMXBD-CQSZACIVSA-N 2 2 332.435 4.072 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000769516936 1046005771 /nfs/dbraw/zinc/00/57/71/1046005771.db2.gz VOSDXGDAOFMXBD-CQSZACIVSA-N 2 2 332.435 4.072 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000162361442 1046190723 /nfs/dbraw/zinc/19/07/23/1046190723.db2.gz IXFOUNXKWDCACA-UONOGXRCSA-N 2 2 326.469 4.357 20 0 EIADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000509682215 1046352033 /nfs/dbraw/zinc/35/20/33/1046352033.db2.gz FOTUBYCVWPBLMS-UHFFFAOYSA-N 2 2 344.543 4.013 20 0 EIADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000509682215 1046352044 /nfs/dbraw/zinc/35/20/44/1046352044.db2.gz FOTUBYCVWPBLMS-UHFFFAOYSA-N 2 2 344.543 4.013 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662082 1046632323 /nfs/dbraw/zinc/63/23/23/1046632323.db2.gz NSCXMZUIAFZNCO-RDJZCZTQSA-N 2 2 340.458 4.209 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662082 1046632330 /nfs/dbraw/zinc/63/23/30/1046632330.db2.gz NSCXMZUIAFZNCO-RDJZCZTQSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662082 1046632334 /nfs/dbraw/zinc/63/23/34/1046632334.db2.gz NSCXMZUIAFZNCO-RDJZCZTQSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662082 1046632339 /nfs/dbraw/zinc/63/23/39/1046632339.db2.gz NSCXMZUIAFZNCO-RDJZCZTQSA-N 2 2 340.458 4.209 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622201 1046715493 /nfs/dbraw/zinc/71/54/93/1046715493.db2.gz GEOHMLPKQHEPCZ-HNAYVOBHSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000379622201 1046715506 /nfs/dbraw/zinc/71/55/06/1046715506.db2.gz GEOHMLPKQHEPCZ-HNAYVOBHSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1CC[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001170103866 1047406872 /nfs/dbraw/zinc/40/68/72/1047406872.db2.gz HQNQNIXAJYYNEL-AVRDEDQJSA-N 2 2 334.507 4.486 20 0 EIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444799589 1047422750 /nfs/dbraw/zinc/42/27/50/1047422750.db2.gz SROYVBJTBJQQQM-INIZCTEOSA-N 2 2 344.528 4.304 20 0 EIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444799589 1047422759 /nfs/dbraw/zinc/42/27/59/1047422759.db2.gz SROYVBJTBJQQQM-INIZCTEOSA-N 2 2 344.528 4.304 20 0 EIADLP Cc1cccnc1[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000897994071 1047521426 /nfs/dbraw/zinc/52/14/26/1047521426.db2.gz DNVDMHUXTRMECM-HXUWFJFHSA-N 2 2 338.499 4.131 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000556598244 1047834171 /nfs/dbraw/zinc/83/41/71/1047834171.db2.gz IWCZBWCXMXAXIZ-XJKSGUPXSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+]1C ZINC000556598244 1047834172 /nfs/dbraw/zinc/83/41/72/1047834172.db2.gz IWCZBWCXMXAXIZ-XJKSGUPXSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598244 1047834173 /nfs/dbraw/zinc/83/41/73/1047834173.db2.gz IWCZBWCXMXAXIZ-XJKSGUPXSA-N 2 2 349.931 4.378 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccc(Cl)cc3)s2)CC[NH+]1C ZINC000556598244 1047834175 /nfs/dbraw/zinc/83/41/75/1047834175.db2.gz IWCZBWCXMXAXIZ-XJKSGUPXSA-N 2 2 349.931 4.378 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000814290341 1047938801 /nfs/dbraw/zinc/93/88/01/1047938801.db2.gz GSMKMXYGLVILEM-KEWOFRHOSA-N 2 2 341.499 4.137 20 0 EIADLP C[NH+](C)CC1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825033143 1048021202 /nfs/dbraw/zinc/02/12/02/1048021202.db2.gz IERATDXUQFARJL-QMMLZNLJSA-N 2 2 327.516 4.065 20 0 EIADLP C[N@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001136986970 1048031389 /nfs/dbraw/zinc/03/13/89/1048031389.db2.gz CVOHCMOEZXXMFF-UHFFFAOYSA-N 2 2 334.398 4.125 20 0 EIADLP C[N@@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001136986970 1048031398 /nfs/dbraw/zinc/03/13/98/1048031398.db2.gz CVOHCMOEZXXMFF-UHFFFAOYSA-N 2 2 334.398 4.125 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)s1 ZINC000809657946 1048439640 /nfs/dbraw/zinc/43/96/40/1048439640.db2.gz YLPSCXWTPMOAFL-UHFFFAOYSA-N 2 2 349.931 4.238 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170593779 1048594286 /nfs/dbraw/zinc/59/42/86/1048594286.db2.gz VDESTHASZNCNPM-INIZCTEOSA-N 2 2 330.476 4.027 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170593779 1048594301 /nfs/dbraw/zinc/59/43/01/1048594301.db2.gz VDESTHASZNCNPM-INIZCTEOSA-N 2 2 330.476 4.027 20 0 EIADLP COc1cc(Cl)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001144494775 1048699922 /nfs/dbraw/zinc/69/99/22/1048699922.db2.gz BWYBZWXXCLRTDV-UHFFFAOYSA-N 2 2 336.907 4.187 20 0 EIADLP COc1cc(Cl)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001144494775 1048699936 /nfs/dbraw/zinc/69/99/36/1048699936.db2.gz BWYBZWXXCLRTDV-UHFFFAOYSA-N 2 2 336.907 4.187 20 0 EIADLP C[NH+]1CCC([NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000237073863 1048884406 /nfs/dbraw/zinc/88/44/06/1048884406.db2.gz SRBTUBIDTROMJJ-OAQYLSRUSA-N 2 2 340.536 4.400 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482645 1049007449 /nfs/dbraw/zinc/00/74/49/1049007449.db2.gz RIAMEXJHCCMSBR-JKSUJKDBSA-N 2 2 333.435 4.047 20 0 EIADLP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000564330972 1049075175 /nfs/dbraw/zinc/07/51/75/1049075175.db2.gz UWCURCFCGQFDJX-YADHBBJMSA-N 2 2 349.453 4.496 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171565379 1049757868 /nfs/dbraw/zinc/75/78/68/1049757868.db2.gz OITPFPGPEFHKCQ-HSZRJFAPSA-N 2 2 348.534 4.449 20 0 EIADLP Cc1cccc2c1CC[C@@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001171565379 1049757877 /nfs/dbraw/zinc/75/78/77/1049757877.db2.gz OITPFPGPEFHKCQ-HSZRJFAPSA-N 2 2 348.534 4.449 20 0 EIADLP Cc1ccc(CC[C@@H](C)N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)cc1 ZINC001171681850 1049777537 /nfs/dbraw/zinc/77/75/37/1049777537.db2.gz NNMUIXLSMPYJOM-QGZVFWFLSA-N 2 2 341.474 4.109 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982433 1049838441 /nfs/dbraw/zinc/83/84/41/1049838441.db2.gz IQZFQJZGAMJKNW-HKUYNNGSSA-N 2 2 330.516 4.167 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982433 1049838448 /nfs/dbraw/zinc/83/84/48/1049838448.db2.gz IQZFQJZGAMJKNW-HKUYNNGSSA-N 2 2 330.516 4.167 20 0 EIADLP C[N@H+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079983 1049846425 /nfs/dbraw/zinc/84/64/25/1049846425.db2.gz RRBNDMRVXHENTH-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079983 1049846431 /nfs/dbraw/zinc/84/64/31/1049846431.db2.gz RRBNDMRVXHENTH-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079983 1049846433 /nfs/dbraw/zinc/84/64/33/1049846433.db2.gz RRBNDMRVXHENTH-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1ccccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079983 1049846435 /nfs/dbraw/zinc/84/64/35/1049846435.db2.gz RRBNDMRVXHENTH-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[NH+]1CCCCC1 ZINC001172563982 1049934437 /nfs/dbraw/zinc/93/44/37/1049934437.db2.gz ABGIBMBITUCNKL-CYBMUJFWSA-N 2 2 330.850 4.015 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172572799 1049940622 /nfs/dbraw/zinc/94/06/22/1049940622.db2.gz LQECDPNUQOEXRP-PXAZEXFGSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172572799 1049940625 /nfs/dbraw/zinc/94/06/25/1049940625.db2.gz LQECDPNUQOEXRP-PXAZEXFGSA-N 2 2 330.850 4.013 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247114636 1050012927 /nfs/dbraw/zinc/01/29/27/1050012927.db2.gz QVDJXEVDCKRJMK-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247114636 1050012933 /nfs/dbraw/zinc/01/29/33/1050012933.db2.gz QVDJXEVDCKRJMK-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000248393788 1050052997 /nfs/dbraw/zinc/05/29/97/1050052997.db2.gz HCYIBNKXSIVQDB-YPGOJHLTSA-N 2 2 349.478 4.074 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000248393788 1050053002 /nfs/dbraw/zinc/05/30/02/1050053002.db2.gz HCYIBNKXSIVQDB-YPGOJHLTSA-N 2 2 349.478 4.074 20 0 EIADLP CCC(CC)(C[NH2+][C@H]1CCCc2n[nH]cc21)[NH2+][C@H](C)c1ccccc1 ZINC000353522693 1050107691 /nfs/dbraw/zinc/10/76/91/1050107691.db2.gz VPZHXEDEIZIGHA-APWZRJJASA-N 2 2 340.515 4.286 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000324874706 1050144572 /nfs/dbraw/zinc/14/45/72/1050144572.db2.gz QFGNYWBZEKKPMP-IBGZPJMESA-N 2 2 329.488 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870986 1050210491 /nfs/dbraw/zinc/21/04/91/1050210491.db2.gz GKEXYULAYWULSX-RHSMWYFYSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870986 1050210507 /nfs/dbraw/zinc/21/05/07/1050210507.db2.gz GKEXYULAYWULSX-RHSMWYFYSA-N 2 2 348.849 4.267 20 0 EIADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC001177442849 1050223458 /nfs/dbraw/zinc/22/34/58/1050223458.db2.gz WSWSVLHVMLOBRA-FCEUIQTBSA-N 2 2 344.543 4.254 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(F)cccc1Cl ZINC000774980287 1050250835 /nfs/dbraw/zinc/25/08/35/1050250835.db2.gz XTVJFTPANCQKNE-KRWDZBQOSA-N 2 2 337.870 4.313 20 0 EIADLP C[C@H](C[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1)Cn1cc[nH+]c1 ZINC001177674132 1050276841 /nfs/dbraw/zinc/27/68/41/1050276841.db2.gz MVXYHNHGKJHUJE-MRXNPFEDSA-N 2 2 339.414 4.240 20 0 EIADLP FC(F)Sc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC001177658832 1050281101 /nfs/dbraw/zinc/28/11/01/1050281101.db2.gz YUFJOXZCUIWSKW-UHFFFAOYSA-N 2 2 337.439 4.378 20 0 EIADLP Cc1cc([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001178031001 1050370237 /nfs/dbraw/zinc/37/02/37/1050370237.db2.gz UPDSJCGHWRJYND-YLJYHZDGSA-N 2 2 327.516 4.151 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001173261620 1050386156 /nfs/dbraw/zinc/38/61/56/1050386156.db2.gz QIEBTSJTRSOXRT-FSSWDIPSSA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001173261620 1050386167 /nfs/dbraw/zinc/38/61/67/1050386167.db2.gz QIEBTSJTRSOXRT-FSSWDIPSSA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001173261620 1050386182 /nfs/dbraw/zinc/38/61/82/1050386182.db2.gz QIEBTSJTRSOXRT-FSSWDIPSSA-N 2 2 343.559 4.440 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001173261620 1050386196 /nfs/dbraw/zinc/38/61/96/1050386196.db2.gz QIEBTSJTRSOXRT-FSSWDIPSSA-N 2 2 343.559 4.440 20 0 EIADLP Fc1ccc(C2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)c(F)c1 ZINC001178223009 1050415926 /nfs/dbraw/zinc/41/59/26/1050415926.db2.gz JBVIQKGWCWTEPK-UHFFFAOYSA-N 2 2 345.418 4.033 20 0 EIADLP Clc1cccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)c1Cl ZINC001178397552 1050451623 /nfs/dbraw/zinc/45/16/23/1050451623.db2.gz BTBRNZSPNWNYOE-UHFFFAOYSA-N 2 2 339.266 4.439 20 0 EIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539054 1050475915 /nfs/dbraw/zinc/47/59/15/1050475915.db2.gz KTTKUJYTSBSJLH-ZFWWWQNUSA-N 2 2 329.315 4.387 20 0 EIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539054 1050475917 /nfs/dbraw/zinc/47/59/17/1050475917.db2.gz KTTKUJYTSBSJLH-ZFWWWQNUSA-N 2 2 329.315 4.387 20 0 EIADLP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178546056 1050498252 /nfs/dbraw/zinc/49/82/52/1050498252.db2.gz JIOKDBRMCDKAQX-HNNXBMFYSA-N 2 2 347.890 4.284 20 0 EIADLP Cc1c(Cl)cccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001178859850 1050578639 /nfs/dbraw/zinc/57/86/39/1050578639.db2.gz KRYOQIMROBEIOV-UHFFFAOYSA-N 2 2 325.843 4.183 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(COc4ccccc4)c3)C2)[nH]1 ZINC001179849725 1050798220 /nfs/dbraw/zinc/79/82/20/1050798220.db2.gz HSBJNBVYGOMORG-FQEVSTJZSA-N 2 2 347.462 4.368 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(COc4ccccc4)c3)C2)[nH]1 ZINC001179849725 1050798234 /nfs/dbraw/zinc/79/82/34/1050798234.db2.gz HSBJNBVYGOMORG-FQEVSTJZSA-N 2 2 347.462 4.368 20 0 EIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC001179829272 1050801968 /nfs/dbraw/zinc/80/19/68/1050801968.db2.gz BDOYGLCOYSHLBJ-LBPRGKRZSA-N 2 2 347.728 4.313 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076395716 1050857205 /nfs/dbraw/zinc/85/72/05/1050857205.db2.gz DRZNZNBJELHRAK-GFCCVEGCSA-N 2 2 331.341 4.140 20 0 EIADLP CC(C)n1c[nH+]c2cc(Nc3cccc(N4CC[NH+](C)CC4)c3)ccc21 ZINC001174381789 1050946959 /nfs/dbraw/zinc/94/69/59/1050946959.db2.gz TUFJAZKOIUCYAE-UHFFFAOYSA-N 2 2 349.482 4.113 20 0 EIADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792877 1051078111 /nfs/dbraw/zinc/07/81/11/1051078111.db2.gz HECMYVRDHLTDPX-LZWOXQAQSA-N 2 2 347.553 4.362 20 0 EIADLP C[C@H]1C[C@H]([N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792877 1051078125 /nfs/dbraw/zinc/07/81/25/1051078125.db2.gz HECMYVRDHLTDPX-LZWOXQAQSA-N 2 2 347.553 4.362 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC001181115855 1051157546 /nfs/dbraw/zinc/15/75/46/1051157546.db2.gz ZISGUTRPKXSWMB-ZCNNSNEGSA-N 2 2 346.584 4.407 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C1CC1 ZINC001181115855 1051157556 /nfs/dbraw/zinc/15/75/56/1051157556.db2.gz ZISGUTRPKXSWMB-ZCNNSNEGSA-N 2 2 346.584 4.407 20 0 EIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436383 1051238610 /nfs/dbraw/zinc/23/86/10/1051238610.db2.gz QQDBZWKOGKLDIJ-YOEHRIQHSA-N 2 2 342.449 4.346 20 0 EIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436383 1051238619 /nfs/dbraw/zinc/23/86/19/1051238619.db2.gz QQDBZWKOGKLDIJ-YOEHRIQHSA-N 2 2 342.449 4.346 20 0 EIADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000154076288 1051265517 /nfs/dbraw/zinc/26/55/17/1051265517.db2.gz ILXXIZRHDWMKNV-HUUCEWRRSA-N 2 2 339.414 4.432 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000620757835 1051275876 /nfs/dbraw/zinc/27/58/76/1051275876.db2.gz PUILSWQWSYFKFP-GOSISDBHSA-N 2 2 334.467 4.077 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2F)[nH+]1 ZINC001192041522 1051620447 /nfs/dbraw/zinc/62/04/47/1051620447.db2.gz GPXYKQCPWIBYKJ-MRXNPFEDSA-N 2 2 333.838 4.259 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2F)[nH+]1 ZINC001192041522 1051620454 /nfs/dbraw/zinc/62/04/54/1051620454.db2.gz GPXYKQCPWIBYKJ-MRXNPFEDSA-N 2 2 333.838 4.259 20 0 EIADLP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001192334055 1051692104 /nfs/dbraw/zinc/69/21/04/1051692104.db2.gz GKCQQYDYDSECCJ-AUSIDOKSSA-N 2 2 345.490 4.352 20 0 EIADLP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC001192334055 1051692108 /nfs/dbraw/zinc/69/21/08/1051692108.db2.gz GKCQQYDYDSECCJ-AUSIDOKSSA-N 2 2 345.490 4.352 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146656 1051792193 /nfs/dbraw/zinc/79/21/93/1051792193.db2.gz ZNYRWJRWJNPVEA-OIISXLGYSA-N 2 2 326.406 4.025 20 0 EIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146656 1051792203 /nfs/dbraw/zinc/79/22/03/1051792203.db2.gz ZNYRWJRWJNPVEA-OIISXLGYSA-N 2 2 326.406 4.025 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000159066627 1051808833 /nfs/dbraw/zinc/80/88/33/1051808833.db2.gz SNTCINZKIYBHCS-ZDUSSCGKSA-N 2 2 345.314 4.145 20 0 EIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204166748 1051898765 /nfs/dbraw/zinc/89/87/65/1051898765.db2.gz VFTYYPCZPFIFOD-UHFFFAOYSA-N 2 2 326.406 4.156 20 0 EIADLP Clc1ccc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001193336332 1051905151 /nfs/dbraw/zinc/90/51/51/1051905151.db2.gz NRFOKMBGKMIIGU-UHFFFAOYSA-N 2 2 331.891 4.271 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001193354752 1051906913 /nfs/dbraw/zinc/90/69/13/1051906913.db2.gz HBFUIAFOFRQIOU-UHFFFAOYSA-N 2 2 348.560 4.420 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459839 1051925280 /nfs/dbraw/zinc/92/52/80/1051925280.db2.gz HKBJJGKSOAJSIZ-VSKRKVRLSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001193459839 1051925293 /nfs/dbraw/zinc/92/52/93/1051925293.db2.gz HKBJJGKSOAJSIZ-VSKRKVRLSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001193459839 1051925300 /nfs/dbraw/zinc/92/53/00/1051925300.db2.gz HKBJJGKSOAJSIZ-VSKRKVRLSA-N 2 2 344.543 4.178 20 0 EIADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001193459839 1051925308 /nfs/dbraw/zinc/92/53/08/1051925308.db2.gz HKBJJGKSOAJSIZ-VSKRKVRLSA-N 2 2 344.543 4.178 20 0 EIADLP c1c[nH+]c(N2CCCCC2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176194753 1051939237 /nfs/dbraw/zinc/93/92/37/1051939237.db2.gz LWYGHQLPRIXCHB-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000159215884 1051945681 /nfs/dbraw/zinc/94/56/81/1051945681.db2.gz KRPFYSWOFNEXSN-QGZVFWFLSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296278 1052003607 /nfs/dbraw/zinc/00/36/07/1052003607.db2.gz YIVPOLXZLHNZCG-AEFFLSMTSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296278 1052003613 /nfs/dbraw/zinc/00/36/13/1052003613.db2.gz YIVPOLXZLHNZCG-AEFFLSMTSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296285 1052003761 /nfs/dbraw/zinc/00/37/61/1052003761.db2.gz YIVPOLXZLHNZCG-WMZOPIPTSA-N 2 2 329.513 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000290296285 1052003773 /nfs/dbraw/zinc/00/37/73/1052003773.db2.gz YIVPOLXZLHNZCG-WMZOPIPTSA-N 2 2 329.513 4.096 20 0 EIADLP CC(C)Oc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001194525385 1052164656 /nfs/dbraw/zinc/16/46/56/1052164656.db2.gz NKSJDMAKYDATSD-UHFFFAOYSA-N 2 2 338.495 4.228 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)CC1 ZINC001176749069 1052179806 /nfs/dbraw/zinc/17/98/06/1052179806.db2.gz RVLSVAMAPDAJCL-UHFFFAOYSA-N 2 2 336.483 4.235 20 0 EIADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000175989885 1052602665 /nfs/dbraw/zinc/60/26/65/1052602665.db2.gz NIELDTZLEXXCHY-UHFFFAOYSA-N 2 2 327.378 4.175 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349408203 1052716576 /nfs/dbraw/zinc/71/65/76/1052716576.db2.gz JILLEMYSLXMJEC-SPEDKVCISA-N 2 2 348.494 4.214 20 0 EIADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623879344 1052828335 /nfs/dbraw/zinc/82/83/35/1052828335.db2.gz DQKIQXHFZULWFK-QZTJIDSGSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623879344 1052828337 /nfs/dbraw/zinc/82/83/37/1052828337.db2.gz DQKIQXHFZULWFK-QZTJIDSGSA-N 2 2 341.524 4.022 20 0 EIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000181582008 1052889086 /nfs/dbraw/zinc/88/90/86/1052889086.db2.gz XZCBGKBVRYNBAG-INIZCTEOSA-N 2 2 344.499 4.065 20 0 EIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182372870 1052928856 /nfs/dbraw/zinc/92/88/56/1052928856.db2.gz YIPKSLJBQLWQHS-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215438 1053013679 /nfs/dbraw/zinc/01/36/79/1053013679.db2.gz PAIYZBZFZSOWMQ-OXQOHEQNSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215438 1053013682 /nfs/dbraw/zinc/01/36/82/1053013682.db2.gz PAIYZBZFZSOWMQ-OXQOHEQNSA-N 2 2 341.474 4.172 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794555945 1053076649 /nfs/dbraw/zinc/07/66/49/1053076649.db2.gz ZNCMILQYDHPJIJ-UHFFFAOYSA-N 2 2 331.891 4.193 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794555945 1053076652 /nfs/dbraw/zinc/07/66/52/1053076652.db2.gz ZNCMILQYDHPJIJ-UHFFFAOYSA-N 2 2 331.891 4.193 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775627562 1053228986 /nfs/dbraw/zinc/22/89/86/1053228986.db2.gz JVFVSWOALZZSCP-DLBZAZTESA-N 2 2 348.494 4.439 20 0 EIADLP c1cn(-c2cccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)c2)c[nH+]1 ZINC000339067962 1053244588 /nfs/dbraw/zinc/24/45/88/1053244588.db2.gz IPKRJIQNBAHBPN-DENIHFKCSA-N 2 2 347.462 4.130 20 0 EIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000765250390 1053475895 /nfs/dbraw/zinc/47/58/95/1053475895.db2.gz LTBXLBATFGCMEN-XHDPSFHLSA-N 2 2 325.378 4.066 20 0 EIADLP C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765262548 1053481633 /nfs/dbraw/zinc/48/16/33/1053481633.db2.gz RAAPXGHTZDDRPL-MRXNPFEDSA-N 2 2 343.540 4.004 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866233515 1053658185 /nfs/dbraw/zinc/65/81/85/1053658185.db2.gz VBIFABVLBLDXIY-FPOVZHCZSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866233515 1053658189 /nfs/dbraw/zinc/65/81/89/1053658189.db2.gz VBIFABVLBLDXIY-FPOVZHCZSA-N 2 2 342.458 4.088 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCc2cccnc2)c(C)c1 ZINC000866308254 1053684690 /nfs/dbraw/zinc/68/46/90/1053684690.db2.gz AEFZUINJQAFDNI-SIKLNZKXSA-N 2 2 348.494 4.247 20 0 EIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2c(ccnc2Cl)o1 ZINC000866351926 1053700183 /nfs/dbraw/zinc/70/01/83/1053700183.db2.gz STOHULYRFWPTLN-IYXRBSQSSA-N 2 2 333.863 4.149 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(SC(F)(F)F)c1 ZINC000866362057 1053704959 /nfs/dbraw/zinc/70/49/59/1053704959.db2.gz YPBJQLOGHVFKCE-PWSUYJOCSA-N 2 2 341.402 4.230 20 0 EIADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780731 1054111994 /nfs/dbraw/zinc/11/19/94/1054111994.db2.gz LDRWCOFVVYXTEE-VXGBXAGGSA-N 2 2 349.828 4.279 20 0 EIADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780731 1054111999 /nfs/dbraw/zinc/11/19/99/1054111999.db2.gz LDRWCOFVVYXTEE-VXGBXAGGSA-N 2 2 349.828 4.279 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001198790779 1054250938 /nfs/dbraw/zinc/25/09/38/1054250938.db2.gz OPCCGNCUGWWXDW-GOSISDBHSA-N 2 2 329.463 4.487 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001198790779 1054250948 /nfs/dbraw/zinc/25/09/48/1054250948.db2.gz OPCCGNCUGWWXDW-GOSISDBHSA-N 2 2 329.463 4.487 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001198791710 1054268861 /nfs/dbraw/zinc/26/88/61/1054268861.db2.gz YEPJETMVXHJGCA-QGZVFWFLSA-N 2 2 326.488 4.030 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001198791710 1054268891 /nfs/dbraw/zinc/26/88/91/1054268891.db2.gz YEPJETMVXHJGCA-QGZVFWFLSA-N 2 2 326.488 4.030 20 0 EIADLP [NH3+]C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@H]1C(F)(F)F ZINC000872147700 1054412285 /nfs/dbraw/zinc/41/22/85/1054412285.db2.gz CYUWSFNRSVIHJG-GXSJLCMTSA-N 2 2 348.821 4.124 20 0 EIADLP [NH3+]C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)C[C@H]1C(F)(F)F ZINC000872147700 1054412291 /nfs/dbraw/zinc/41/22/91/1054412291.db2.gz CYUWSFNRSVIHJG-GXSJLCMTSA-N 2 2 348.821 4.124 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC34CCCCC4)CC2)cc1 ZINC000858191321 1054435894 /nfs/dbraw/zinc/43/58/94/1054435894.db2.gz QZFVKHQKJBQQKS-HXUWFJFHSA-N 2 2 327.516 4.034 20 0 EIADLP c1cc(-c2ccc3c(C4C[NH+](C[C@H]5CC=CCC5)C4)[nH+]cn3c2)co1 ZINC001201416858 1054793312 /nfs/dbraw/zinc/79/33/12/1054793312.db2.gz PRUONGFJFWOUCC-INIZCTEOSA-N 2 2 333.435 4.350 20 0 EIADLP C[NH+](C)CC1CCN(c2ccc([NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000125585105 1054820473 /nfs/dbraw/zinc/82/04/73/1054820473.db2.gz YLXNDDLBIBWZRB-SFHVURJKSA-N 2 2 327.516 4.233 20 0 EIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201671876 1054872184 /nfs/dbraw/zinc/87/21/84/1054872184.db2.gz NRJRPMKXNSGUNO-UHFFFAOYSA-N 2 2 340.486 4.355 20 0 EIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001201671876 1054872190 /nfs/dbraw/zinc/87/21/90/1054872190.db2.gz NRJRPMKXNSGUNO-UHFFFAOYSA-N 2 2 340.486 4.355 20 0 EIADLP Clc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000877037003 1055005390 /nfs/dbraw/zinc/00/53/90/1055005390.db2.gz XSVXSKLMRLTKMN-UHFFFAOYSA-N 2 2 349.931 4.462 20 0 EIADLP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072756430 1055146792 /nfs/dbraw/zinc/14/67/92/1055146792.db2.gz ABKZLIYEFFSIPE-FCHUYYIVSA-N 2 2 347.462 4.191 20 0 EIADLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H]1CCc2ccccc21 ZINC000347634048 1055647713 /nfs/dbraw/zinc/64/77/13/1055647713.db2.gz IVFHGSZIMKGDSC-SFHVURJKSA-N 2 2 329.513 4.104 20 0 EIADLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H]1CCc2ccccc21 ZINC000347634048 1055647748 /nfs/dbraw/zinc/64/77/48/1055647748.db2.gz IVFHGSZIMKGDSC-SFHVURJKSA-N 2 2 329.513 4.104 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577240 1056057256 /nfs/dbraw/zinc/05/72/56/1056057256.db2.gz COIDQNVHABTSLG-SFHVURJKSA-N 2 2 341.524 4.260 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577240 1056057263 /nfs/dbraw/zinc/05/72/63/1056057263.db2.gz COIDQNVHABTSLG-SFHVURJKSA-N 2 2 341.524 4.260 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1Cl ZINC000766307118 1059377667 /nfs/dbraw/zinc/37/76/67/1059377667.db2.gz WEJJJCLJQNXFPB-YOEHRIQHSA-N 2 2 340.858 4.103 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326435 1059802115 /nfs/dbraw/zinc/80/21/15/1059802115.db2.gz QURIUCINWSNJGB-IFXJQAMLSA-N 2 2 337.398 4.186 20 0 EIADLP Cc1ccc(C[NH+]2CCCCC2)cc1NCCc1cn2ccccc2[nH+]1 ZINC001169008447 1060574136 /nfs/dbraw/zinc/57/41/36/1060574136.db2.gz FPPYHHJYWOLSLU-UHFFFAOYSA-N 2 2 348.494 4.283 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(Cl)cc1Cl)C2 ZINC001169099639 1060637449 /nfs/dbraw/zinc/63/74/49/1060637449.db2.gz CZZRFHOSDLEURY-ZSOGYDGISA-N 2 2 327.299 4.443 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(Cl)cc1Cl)C2 ZINC001169099639 1060637460 /nfs/dbraw/zinc/63/74/60/1060637460.db2.gz CZZRFHOSDLEURY-ZSOGYDGISA-N 2 2 327.299 4.443 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001169230094 1060706302 /nfs/dbraw/zinc/70/63/02/1060706302.db2.gz PRFDLASQFKFDQE-UHFFFAOYSA-N 2 2 328.431 4.192 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169690025 1060902816 /nfs/dbraw/zinc/90/28/16/1060902816.db2.gz QKGUSAPZVYKNEV-GOSISDBHSA-N 2 2 336.414 4.252 20 0 EIADLP Cc1ccc(C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000532196571 1032079724 /nfs/dbraw/zinc/07/97/24/1032079724.db2.gz BPSILAAVUODMQB-HSZRJFAPSA-N 2 2 345.490 4.351 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683606 1032148309 /nfs/dbraw/zinc/14/83/09/1032148309.db2.gz QANNFOXJJRBAFU-CQZKBQLOSA-N 2 2 342.527 4.103 20 0 EIADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683606 1032148333 /nfs/dbraw/zinc/14/83/33/1032148333.db2.gz QANNFOXJJRBAFU-CQZKBQLOSA-N 2 2 342.527 4.103 20 0 EIADLP C[C@@H](CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000194198832 1032217998 /nfs/dbraw/zinc/21/79/98/1032217998.db2.gz KPRQXEWCNBSEIG-IBGZPJMESA-N 2 2 333.479 4.257 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1Cl ZINC000360038267 1032233137 /nfs/dbraw/zinc/23/31/37/1032233137.db2.gz UGNYDKXGFXLJMM-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC(F)F)cc1 ZINC000360079879 1032239943 /nfs/dbraw/zinc/23/99/43/1032239943.db2.gz REMGGVABYDRSSW-DOTOQJQBSA-N 2 2 349.425 4.411 20 0 EIADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000648431650 1032296433 /nfs/dbraw/zinc/29/64/33/1032296433.db2.gz UDPRHWHXHQTSED-NJYVYQBISA-N 2 2 330.516 4.007 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000245585934 1032329680 /nfs/dbraw/zinc/32/96/80/1032329680.db2.gz MDTWJQSTAKJQGG-RLFYNMQTSA-N 2 2 329.513 4.155 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000245585934 1032329696 /nfs/dbraw/zinc/32/96/96/1032329696.db2.gz MDTWJQSTAKJQGG-RLFYNMQTSA-N 2 2 329.513 4.155 20 0 EIADLP c1cc2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000529559754 1032446498 /nfs/dbraw/zinc/44/64/98/1032446498.db2.gz YKCDKDJZYDJZFE-SFHVURJKSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000529559754 1032446503 /nfs/dbraw/zinc/44/65/03/1032446503.db2.gz YKCDKDJZYDJZFE-SFHVURJKSA-N 2 2 334.467 4.080 20 0 EIADLP CC[N@H+](CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072967 1032473198 /nfs/dbraw/zinc/47/31/98/1032473198.db2.gz IOSGHBQZXPRRTQ-UHFFFAOYSA-N 2 2 332.536 4.245 20 0 EIADLP CC[N@@H+](CCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072967 1032473210 /nfs/dbraw/zinc/47/32/10/1032473210.db2.gz IOSGHBQZXPRRTQ-UHFFFAOYSA-N 2 2 332.536 4.245 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cn1 ZINC000177233033 1032493725 /nfs/dbraw/zinc/49/37/25/1032493725.db2.gz PZHWLGGJXNCURD-CYBMUJFWSA-N 2 2 326.831 4.080 20 0 EIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000302846586 1032517940 /nfs/dbraw/zinc/51/79/40/1032517940.db2.gz JKDGXIXPABXHQU-UHFFFAOYSA-N 2 2 349.478 4.374 20 0 EIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000302846586 1032517962 /nfs/dbraw/zinc/51/79/62/1032517962.db2.gz JKDGXIXPABXHQU-UHFFFAOYSA-N 2 2 349.478 4.374 20 0 EIADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167902673 1032687363 /nfs/dbraw/zinc/68/73/63/1032687363.db2.gz NJFDYBUQQWVUOT-KOUNCHBCSA-N 2 2 332.491 4.096 20 0 EIADLP C[C@@H](CC[NH2+]Cc1ccc(Sc2ccccn2)o1)[NH+]1CCCCC1 ZINC000512415796 1032717522 /nfs/dbraw/zinc/71/75/22/1032717522.db2.gz ODGKNFAJANNZGJ-INIZCTEOSA-N 2 2 345.512 4.180 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000163692818 1032743597 /nfs/dbraw/zinc/74/35/97/1032743597.db2.gz CJTWREBFODVGOE-QFIPXVFZSA-N 2 2 338.495 4.068 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432791629 1032812579 /nfs/dbraw/zinc/81/25/79/1032812579.db2.gz HBWNIEWZNCWAMP-UHFFFAOYSA-N 2 2 344.821 4.000 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000432791629 1032812581 /nfs/dbraw/zinc/81/25/81/1032812581.db2.gz HBWNIEWZNCWAMP-UHFFFAOYSA-N 2 2 344.821 4.000 20 0 EIADLP CCCCn1nc(C)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1Cl ZINC000236737456 1032828570 /nfs/dbraw/zinc/82/85/70/1032828570.db2.gz HGZZUEFXQIIVKW-UHFFFAOYSA-N 2 2 340.943 4.044 20 0 EIADLP Cc1cc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430216036 1019414912 /nfs/dbraw/zinc/41/49/12/1019414912.db2.gz DGOWVLIGMZPDQI-QGZVFWFLSA-N 2 2 348.288 4.181 20 0 EIADLP Cc1cc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430216036 1019414930 /nfs/dbraw/zinc/41/49/30/1019414930.db2.gz DGOWVLIGMZPDQI-QGZVFWFLSA-N 2 2 348.288 4.181 20 0 EIADLP CCc1ccc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(C)C)cc1 ZINC000510185661 1020404984 /nfs/dbraw/zinc/40/49/84/1020404984.db2.gz OLPFHDQWTONSOX-IBGZPJMESA-N 2 2 331.529 4.254 20 0 EIADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510223375 1020508035 /nfs/dbraw/zinc/50/80/35/1020508035.db2.gz OWJJQEZAOSLDMY-UHFFFAOYSA-N 2 2 328.887 4.436 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510223375 1020508043 /nfs/dbraw/zinc/50/80/43/1020508043.db2.gz OWJJQEZAOSLDMY-UHFFFAOYSA-N 2 2 328.887 4.436 20 0 EIADLP CC(C)c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655683909 1020897116 /nfs/dbraw/zinc/89/71/16/1020897116.db2.gz XHGAUUPEDPKRFZ-FCHUYYIVSA-N 2 2 344.543 4.350 20 0 EIADLP CC(C)(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655690095 1020900559 /nfs/dbraw/zinc/90/05/59/1020900559.db2.gz VKYGPUCDNUOVNW-UXHICEINSA-N 2 2 330.516 4.007 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340439313 1021026835 /nfs/dbraw/zinc/02/68/35/1021026835.db2.gz KFLUUELSKIQRLP-TWHAJKEOSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340439313 1021026841 /nfs/dbraw/zinc/02/68/41/1021026841.db2.gz KFLUUELSKIQRLP-TWHAJKEOSA-N 2 2 349.522 4.075 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000340492023 1021137115 /nfs/dbraw/zinc/13/71/15/1021137115.db2.gz VPOWPQNQEOOUNZ-GFCCVEGCSA-N 2 2 345.368 4.449 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059980 1021585740 /nfs/dbraw/zinc/58/57/40/1021585740.db2.gz JSXSFOISMNNZTG-IERDGZPVSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059980 1021585746 /nfs/dbraw/zinc/58/57/46/1021585746.db2.gz JSXSFOISMNNZTG-IERDGZPVSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059980 1021585758 /nfs/dbraw/zinc/58/57/58/1021585758.db2.gz JSXSFOISMNNZTG-IERDGZPVSA-N 2 2 326.459 4.265 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F ZINC000580059980 1021585776 /nfs/dbraw/zinc/58/57/76/1021585776.db2.gz JSXSFOISMNNZTG-IERDGZPVSA-N 2 2 326.459 4.265 20 0 EIADLP Cc1ccc(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(C)c1 ZINC000548065979 1021684235 /nfs/dbraw/zinc/68/42/35/1021684235.db2.gz KYFPGURKHYGZMY-UHFFFAOYSA-N 2 2 342.527 4.074 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000414160978 1021999029 /nfs/dbraw/zinc/99/90/29/1021999029.db2.gz JSZNFLNWVLVQPR-HYVNUMGLSA-N 2 2 329.875 4.236 20 0 EIADLP Clc1ccc(SCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000613455488 1022056264 /nfs/dbraw/zinc/05/62/64/1022056264.db2.gz YJULRDNHPJYZAM-UHFFFAOYSA-N 2 2 338.948 4.382 20 0 EIADLP COc1cc(Cl)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000472598692 1022751621 /nfs/dbraw/zinc/75/16/21/1022751621.db2.gz PROMREUTBZXSSF-UHFFFAOYSA-N 2 2 343.298 4.062 20 0 EIADLP COc1cc(Cl)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000472598692 1022751642 /nfs/dbraw/zinc/75/16/42/1022751642.db2.gz PROMREUTBZXSSF-UHFFFAOYSA-N 2 2 343.298 4.062 20 0 EIADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000549085089 1022839423 /nfs/dbraw/zinc/83/94/23/1022839423.db2.gz HJUKFHIDJFNHQY-GFCCVEGCSA-N 2 2 334.813 4.179 20 0 EIADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000549085089 1022839429 /nfs/dbraw/zinc/83/94/29/1022839429.db2.gz HJUKFHIDJFNHQY-GFCCVEGCSA-N 2 2 334.813 4.179 20 0 EIADLP Cc1cc(Cl)cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000549710736 1033085761 /nfs/dbraw/zinc/08/57/61/1033085761.db2.gz CAYARSVAYVPYNT-UHFFFAOYSA-N 2 2 339.870 4.226 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000656438050 1022895665 /nfs/dbraw/zinc/89/56/65/1022895665.db2.gz HXKKUQATDQUQAK-XMSQKQJNSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000656438050 1022895667 /nfs/dbraw/zinc/89/56/67/1022895667.db2.gz HXKKUQATDQUQAK-XMSQKQJNSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438050 1022895676 /nfs/dbraw/zinc/89/56/76/1022895676.db2.gz HXKKUQATDQUQAK-XMSQKQJNSA-N 2 2 349.522 4.055 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(n2)CCC3)CC[NH+]1Cc1ccccc1 ZINC000656438050 1022895682 /nfs/dbraw/zinc/89/56/82/1022895682.db2.gz HXKKUQATDQUQAK-XMSQKQJNSA-N 2 2 349.522 4.055 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000430565682 1023052410 /nfs/dbraw/zinc/05/24/10/1023052410.db2.gz QKHKWVNVKXGAID-QAPCUYQASA-N 2 2 343.540 4.493 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000430565682 1023052420 /nfs/dbraw/zinc/05/24/20/1023052420.db2.gz QKHKWVNVKXGAID-QAPCUYQASA-N 2 2 343.540 4.493 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321313 1023265801 /nfs/dbraw/zinc/26/58/01/1023265801.db2.gz LJQYLWHPBLLEGH-ZYSHUDEJSA-N 2 2 337.492 4.275 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415092998 1023438653 /nfs/dbraw/zinc/43/86/53/1023438653.db2.gz UPWFAICOBWHVHB-UZLBHIALSA-N 2 2 344.886 4.170 20 0 EIADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415092971 1023439015 /nfs/dbraw/zinc/43/90/15/1023439015.db2.gz UMVGAEJUYPWNOI-QRWLVFNGSA-N 2 2 344.886 4.027 20 0 EIADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415092972 1023439295 /nfs/dbraw/zinc/43/92/95/1023439295.db2.gz UMVGAEJUYPWNOI-YWZLYKJASA-N 2 2 344.886 4.027 20 0 EIADLP C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500076363 1023485925 /nfs/dbraw/zinc/48/59/25/1023485925.db2.gz SFYCOFFOFFTLRP-ZDUSSCGKSA-N 2 2 337.389 4.412 20 0 EIADLP CC(C)CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000549227301 1023497282 /nfs/dbraw/zinc/49/72/82/1023497282.db2.gz DXHZNLAVLVPVOO-FQEVSTJZSA-N 2 2 344.547 4.239 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCS2 ZINC000377407667 1023517549 /nfs/dbraw/zinc/51/75/49/1023517549.db2.gz AXOOHJQSRBLXGP-GXTWGEPZSA-N 2 2 333.888 4.137 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276508819 1023613657 /nfs/dbraw/zinc/61/36/57/1023613657.db2.gz ZDWVRQVJYBGSQB-FQEVSTJZSA-N 2 2 349.482 4.199 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276508819 1023613659 /nfs/dbraw/zinc/61/36/59/1023613659.db2.gz ZDWVRQVJYBGSQB-FQEVSTJZSA-N 2 2 349.482 4.199 20 0 EIADLP C[C@H](Cc1cccs1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412773 1023666689 /nfs/dbraw/zinc/66/66/89/1023666689.db2.gz XBPHINCRVAZJNF-LRVUVFPRSA-N 2 2 346.462 4.074 20 0 EIADLP Cc1ccc([C@H](C2CC2)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000377688619 1023688035 /nfs/dbraw/zinc/68/80/35/1023688035.db2.gz AFPXSLHYNQRNEL-ZRBLBEILSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@H](C2CC2)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000377688619 1023688041 /nfs/dbraw/zinc/68/80/41/1023688041.db2.gz AFPXSLHYNQRNEL-ZRBLBEILSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@H](C2CC2)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377688619 1023688043 /nfs/dbraw/zinc/68/80/43/1023688043.db2.gz AFPXSLHYNQRNEL-ZRBLBEILSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@H](C2CC2)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377688619 1023688050 /nfs/dbraw/zinc/68/80/50/1023688050.db2.gz AFPXSLHYNQRNEL-ZRBLBEILSA-N 2 2 349.522 4.466 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccc(Cl)c1 ZINC000364449302 1023783754 /nfs/dbraw/zinc/78/37/54/1023783754.db2.gz WBAMXNBYLXKPTK-QFBILLFUSA-N 2 2 347.865 4.047 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)[C@H]1c1cccc(Cl)c1 ZINC000364449302 1023783761 /nfs/dbraw/zinc/78/37/61/1023783761.db2.gz WBAMXNBYLXKPTK-QFBILLFUSA-N 2 2 347.865 4.047 20 0 EIADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(C)o1 ZINC000156449317 1023865356 /nfs/dbraw/zinc/86/53/56/1023865356.db2.gz INDCBVGGFDMBAM-BEFAXECRSA-N 2 2 339.439 4.120 20 0 EIADLP Clc1cccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534123911 1033168902 /nfs/dbraw/zinc/16/89/02/1033168902.db2.gz PRMRUAKJYCFGBQ-UHFFFAOYSA-N 2 2 345.874 4.080 20 0 EIADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000430696962 1023901688 /nfs/dbraw/zinc/90/16/88/1023901688.db2.gz KQCSGIXHEKMVNN-MISYRCLQSA-N 2 2 325.500 4.278 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000430696961 1023901951 /nfs/dbraw/zinc/90/19/51/1023901951.db2.gz KQCSGIXHEKMVNN-DFQSSKMNSA-N 2 2 325.500 4.278 20 0 EIADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000430696964 1023902297 /nfs/dbraw/zinc/90/22/97/1023902297.db2.gz KQCSGIXHEKMVNN-RLLQIKCJSA-N 2 2 325.500 4.278 20 0 EIADLP FC(F)Oc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679315 1024009220 /nfs/dbraw/zinc/00/92/20/1024009220.db2.gz NAUOLTHWVGGPSD-UHFFFAOYSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)SCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000066876527 1024028537 /nfs/dbraw/zinc/02/85/37/1024028537.db2.gz PWPOYOCSYAWPCD-UHFFFAOYSA-N 2 2 349.406 4.211 20 0 EIADLP CC[C@@H](OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000651908317 1024206655 /nfs/dbraw/zinc/20/66/55/1024206655.db2.gz BAVKDUZOWAKYHU-LJQANCHMSA-N 2 2 341.480 4.191 20 0 EIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000511941345 1024821437 /nfs/dbraw/zinc/82/14/37/1024821437.db2.gz IPXJIRHLNLNLER-SFHVURJKSA-N 2 2 329.513 4.105 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581995897 1024824042 /nfs/dbraw/zinc/82/40/42/1024824042.db2.gz IPBLQSYHCMRTIW-KGLIPLIRSA-N 2 2 338.282 4.185 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753219 1024843992 /nfs/dbraw/zinc/84/39/92/1024843992.db2.gz MWVKRALCKOSBHX-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753219 1024843997 /nfs/dbraw/zinc/84/39/97/1024843997.db2.gz MWVKRALCKOSBHX-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753219 1024843998 /nfs/dbraw/zinc/84/39/98/1024843998.db2.gz MWVKRALCKOSBHX-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093753219 1024844000 /nfs/dbraw/zinc/84/40/00/1024844000.db2.gz MWVKRALCKOSBHX-KRWDZBQOSA-N 2 2 343.540 4.282 20 0 EIADLP CCc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000663305300 1025031758 /nfs/dbraw/zinc/03/17/58/1025031758.db2.gz XDDUTAUISOTKLQ-YADHBBJMSA-N 2 2 344.543 4.179 20 0 EIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000186981223 1025148652 /nfs/dbraw/zinc/14/86/52/1025148652.db2.gz DVZGYEWUTCRMIY-JOCHJYFZSA-N 2 2 347.506 4.331 20 0 EIADLP c1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cs2)cs1 ZINC000663347265 1025150055 /nfs/dbraw/zinc/15/00/55/1025150055.db2.gz IJPODEVSWBUOCJ-OAHLLOKOSA-N 2 2 347.553 4.083 20 0 EIADLP c1cc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)cs1 ZINC000663347265 1025150064 /nfs/dbraw/zinc/15/00/64/1025150064.db2.gz IJPODEVSWBUOCJ-OAHLLOKOSA-N 2 2 347.553 4.083 20 0 EIADLP CC(C)C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000151307332 1025280036 /nfs/dbraw/zinc/28/00/36/1025280036.db2.gz BFHQWNNFJCODPZ-OAQYLSRUSA-N 2 2 334.467 4.203 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000151312649 1025280119 /nfs/dbraw/zinc/28/01/19/1025280119.db2.gz VYDNGTBQYLFRTJ-NRFANRHFSA-N 2 2 335.451 4.181 20 0 EIADLP CC(C)C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000151307267 1025280355 /nfs/dbraw/zinc/28/03/55/1025280355.db2.gz BFHQWNNFJCODPZ-NRFANRHFSA-N 2 2 334.467 4.203 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC ZINC000151356159 1025286055 /nfs/dbraw/zinc/28/60/55/1025286055.db2.gz LPZKPDPCOJQPBU-HXUWFJFHSA-N 2 2 335.451 4.181 20 0 EIADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000151658869 1025397829 /nfs/dbraw/zinc/39/78/29/1025397829.db2.gz HHFZVZCGFMJEDX-JKSUJKDBSA-N 2 2 348.450 4.243 20 0 EIADLP C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000511988208 1025427746 /nfs/dbraw/zinc/42/77/46/1025427746.db2.gz GTURRNSJHWSAMS-NJAPINKUSA-N 2 2 349.931 4.345 20 0 EIADLP Fc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167965882 1025544153 /nfs/dbraw/zinc/54/41/53/1025544153.db2.gz PFGHERSGGVXELP-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP Fc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167965882 1025544170 /nfs/dbraw/zinc/54/41/70/1025544170.db2.gz PFGHERSGGVXELP-GOOCMWNKSA-N 2 2 340.845 4.113 20 0 EIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028195 1025683280 /nfs/dbraw/zinc/68/32/80/1025683280.db2.gz GDNCEVHWDPXRSR-OQIJWPOYSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028195 1025683314 /nfs/dbraw/zinc/68/33/14/1025683314.db2.gz GDNCEVHWDPXRSR-OQIJWPOYSA-N 2 2 339.458 4.067 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432410833 1025879983 /nfs/dbraw/zinc/87/99/83/1025879983.db2.gz SBJUUKBUTORKOC-ROUUACIJSA-N 2 2 344.499 4.201 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc2cc1C ZINC000432410833 1025879988 /nfs/dbraw/zinc/87/99/88/1025879988.db2.gz SBJUUKBUTORKOC-ROUUACIJSA-N 2 2 344.499 4.201 20 0 EIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000344030337 1025886547 /nfs/dbraw/zinc/88/65/47/1025886547.db2.gz DXTUAGYXBVJGCH-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187773020 1025892383 /nfs/dbraw/zinc/89/23/83/1025892383.db2.gz SHNSOESMBHZAQY-UNMCSNQZSA-N 2 2 335.495 4.150 20 0 EIADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000187773163 1025893431 /nfs/dbraw/zinc/89/34/31/1025893431.db2.gz WSJSILCPOQYDLW-TZIWHRDSSA-N 2 2 335.495 4.051 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303727061 1026187770 /nfs/dbraw/zinc/18/77/70/1026187770.db2.gz CKXIIJDWCCTTQV-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303727061 1026187779 /nfs/dbraw/zinc/18/77/79/1026187779.db2.gz CKXIIJDWCCTTQV-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727061 1026187786 /nfs/dbraw/zinc/18/77/86/1026187786.db2.gz CKXIIJDWCCTTQV-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727061 1026187793 /nfs/dbraw/zinc/18/77/93/1026187793.db2.gz CKXIIJDWCCTTQV-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1F ZINC000192685515 1026223933 /nfs/dbraw/zinc/22/39/33/1026223933.db2.gz CEIKVAKJYHYDNZ-MRXNPFEDSA-N 2 2 342.458 4.150 20 0 EIADLP CC(C)(C)c1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000279239354 1026234622 /nfs/dbraw/zinc/23/46/22/1026234622.db2.gz ZUITXIYASWEUSH-UHFFFAOYSA-N 2 2 343.540 4.326 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187363810 1026377436 /nfs/dbraw/zinc/37/74/36/1026377436.db2.gz NOCSDMSTEMQTDH-ABAIWWIYSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000187363810 1026377447 /nfs/dbraw/zinc/37/74/47/1026377447.db2.gz NOCSDMSTEMQTDH-ABAIWWIYSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363810 1026377457 /nfs/dbraw/zinc/37/74/57/1026377457.db2.gz NOCSDMSTEMQTDH-ABAIWWIYSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363810 1026377468 /nfs/dbraw/zinc/37/74/68/1026377468.db2.gz NOCSDMSTEMQTDH-ABAIWWIYSA-N 2 2 334.813 4.273 20 0 EIADLP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000507479970 1026810500 /nfs/dbraw/zinc/81/05/00/1026810500.db2.gz AAILJDISYVQASO-UHFFFAOYSA-N 2 2 342.449 4.279 20 0 EIADLP Cc1cc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000507540615 1026833061 /nfs/dbraw/zinc/83/30/61/1026833061.db2.gz VVKQMMZOOXZQRA-UHFFFAOYSA-N 2 2 328.422 4.118 20 0 EIADLP Cc1cccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000077316770 1027142603 /nfs/dbraw/zinc/14/26/03/1027142603.db2.gz SLFGILAXMBACKQ-UHFFFAOYSA-N 2 2 348.450 4.122 20 0 EIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000302033448 1027192886 /nfs/dbraw/zinc/19/28/86/1027192886.db2.gz KZUDCVZARYHRAG-QRWLVFNGSA-N 2 2 334.467 4.390 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000520208431 1027318453 /nfs/dbraw/zinc/31/84/53/1027318453.db2.gz WOXLINQVCUWKHC-UHFFFAOYSA-N 2 2 330.516 4.220 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000474624488 1027324719 /nfs/dbraw/zinc/32/47/19/1027324719.db2.gz UZNXKEHIBXQZPV-DLBZAZTESA-N 2 2 335.451 4.163 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000453263107 1027360555 /nfs/dbraw/zinc/36/05/55/1027360555.db2.gz HAXOZIYTXMLOEB-NVXWUHKLSA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000453263107 1027360572 /nfs/dbraw/zinc/36/05/72/1027360572.db2.gz HAXOZIYTXMLOEB-NVXWUHKLSA-N 2 2 349.400 4.026 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474798342 1027510221 /nfs/dbraw/zinc/51/02/21/1027510221.db2.gz XLIRKUMULQAEIH-HXUWFJFHSA-N 2 2 346.559 4.295 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C2CCSCC2)c(C)c1 ZINC000474817118 1027539595 /nfs/dbraw/zinc/53/95/95/1027539595.db2.gz ZLVQSJKCNGLZIU-XLIONFOSSA-N 2 2 343.540 4.363 20 0 EIADLP c1csc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000444597650 1027892911 /nfs/dbraw/zinc/89/29/11/1027892911.db2.gz ZZCYASHNEMMHFS-UHFFFAOYSA-N 2 2 326.509 4.475 20 0 EIADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153831653 1027987412 /nfs/dbraw/zinc/98/74/12/1027987412.db2.gz PXEFVCBZHHAEOV-XLIONFOSSA-N 2 2 340.515 4.124 20 0 EIADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167653057 1028043874 /nfs/dbraw/zinc/04/38/74/1028043874.db2.gz DMAJLYNMJZEYTI-HXUWFJFHSA-N 2 2 346.478 4.103 20 0 EIADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167653057 1028043890 /nfs/dbraw/zinc/04/38/90/1028043890.db2.gz DMAJLYNMJZEYTI-HXUWFJFHSA-N 2 2 346.478 4.103 20 0 EIADLP c1ccc(NC2CC[NH+](CCOc3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000536368200 1028179147 /nfs/dbraw/zinc/17/91/47/1028179147.db2.gz FMEGPNCEFQTDAM-UHFFFAOYSA-N 2 2 347.462 4.190 20 0 EIADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346132267 1028273809 /nfs/dbraw/zinc/27/38/09/1028273809.db2.gz KSYZKGXHYCFBAU-GFCCVEGCSA-N 2 2 332.498 4.200 20 0 EIADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346132267 1028273824 /nfs/dbraw/zinc/27/38/24/1028273824.db2.gz KSYZKGXHYCFBAU-GFCCVEGCSA-N 2 2 332.498 4.200 20 0 EIADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000346321169 1028373242 /nfs/dbraw/zinc/37/32/42/1028373242.db2.gz ZULZTSMHVCTNLP-UHFFFAOYSA-N 2 2 325.843 4.239 20 0 EIADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000346321169 1028373262 /nfs/dbraw/zinc/37/32/62/1028373262.db2.gz ZULZTSMHVCTNLP-UHFFFAOYSA-N 2 2 325.843 4.239 20 0 EIADLP Fc1ccc2oc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2c1 ZINC000343160121 1028424289 /nfs/dbraw/zinc/42/42/89/1028424289.db2.gz UMGYRPBYSLDAHB-UHFFFAOYSA-N 2 2 335.382 4.107 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282019415 1028437139 /nfs/dbraw/zinc/43/71/39/1028437139.db2.gz DXZPRVNHZKYOGX-MJGOQNOKSA-N 2 2 330.516 4.055 20 0 EIADLP c1c[nH+]c(-c2ccc(Nc3ccc(CC[NH+]4CCCC4)cc3)cc2)[nH]1 ZINC001213088978 1028844564 /nfs/dbraw/zinc/84/45/64/1028844564.db2.gz NMYOUPNBGCEXQG-UHFFFAOYSA-N 2 2 332.451 4.459 20 0 EIADLP COc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)c1 ZINC000657782537 1029036287 /nfs/dbraw/zinc/03/62/87/1029036287.db2.gz OBYMXKACMHDABV-UHFFFAOYSA-N 2 2 333.435 4.050 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151136398 1029145187 /nfs/dbraw/zinc/14/51/87/1029145187.db2.gz ODNRXOIWLIUZNA-CQSZACIVSA-N 2 2 329.444 4.492 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151142496 1029180385 /nfs/dbraw/zinc/18/03/85/1029180385.db2.gz YYVYMFGOTDJEBN-GOSISDBHSA-N 2 2 325.481 4.217 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000343438855 1029250864 /nfs/dbraw/zinc/25/08/64/1029250864.db2.gz GHIFJXDIWAHEHO-ICSRJNTNSA-N 2 2 346.478 4.392 20 0 EIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000475126795 1029281416 /nfs/dbraw/zinc/28/14/16/1029281416.db2.gz GZDJORQUBGNYSC-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000475126795 1029281432 /nfs/dbraw/zinc/28/14/32/1029281432.db2.gz GZDJORQUBGNYSC-UHFFFAOYSA-N 2 2 346.824 4.419 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313378 /nfs/dbraw/zinc/31/33/78/1029313378.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 3 2 345.575 4.092 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313393 /nfs/dbraw/zinc/31/33/93/1029313393.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 3 2 345.575 4.092 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313413 /nfs/dbraw/zinc/31/34/13/1029313413.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 3 2 345.575 4.092 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313425 /nfs/dbraw/zinc/31/34/25/1029313425.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 3 2 345.575 4.092 20 0 EIADLP C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192750027 1029375135 /nfs/dbraw/zinc/37/51/35/1029375135.db2.gz AJONHNHLPUIZRE-GJZGRUSLSA-N 2 2 335.407 4.013 20 0 EIADLP C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192750069 1029377245 /nfs/dbraw/zinc/37/72/45/1029377245.db2.gz AJONHNHLPUIZRE-HUUCEWRRSA-N 2 2 335.407 4.013 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151341162 1029488392 /nfs/dbraw/zinc/48/83/92/1029488392.db2.gz DRVHSHUZUWTAPU-ROUUACIJSA-N 2 2 349.478 4.222 20 0 EIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475339908 1029556213 /nfs/dbraw/zinc/55/62/13/1029556213.db2.gz WPIADHBKMNJYCS-GQGLESIBSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@H](CC1CCCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359377 1029576390 /nfs/dbraw/zinc/57/63/90/1029576390.db2.gz VYRQPJVWTGVVSX-NVPAJSRCSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C(F)F)nc1 ZINC000657831268 1029649849 /nfs/dbraw/zinc/64/98/49/1029649849.db2.gz UJZFLKVFXLNXDB-AWEZNQCLSA-N 2 2 342.393 4.115 20 0 EIADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C(C)C)n2)[NH+]2CCCC2)o1 ZINC000301153652 1029677542 /nfs/dbraw/zinc/67/75/42/1029677542.db2.gz QJTJPMJLSWMTQX-INIZCTEOSA-N 2 2 328.460 4.059 20 0 EIADLP Cc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000447080168 1029682107 /nfs/dbraw/zinc/68/21/07/1029682107.db2.gz ZKCODSQXJSKLIF-INIZCTEOSA-N 2 2 325.481 4.305 20 0 EIADLP Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000447080168 1029682110 /nfs/dbraw/zinc/68/21/10/1029682110.db2.gz ZKCODSQXJSKLIF-INIZCTEOSA-N 2 2 325.481 4.305 20 0 EIADLP C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301617701 1029774351 /nfs/dbraw/zinc/77/43/51/1029774351.db2.gz AWJPJHWBFXYXTJ-FZKQIMNGSA-N 2 2 326.831 4.172 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]c3ccc(F)cc23)cn1 ZINC000301636328 1029777104 /nfs/dbraw/zinc/77/71/04/1029777104.db2.gz ABJNBHILAPPVCE-UHFFFAOYSA-N 2 2 347.397 4.184 20 0 EIADLP c1csc([C@@H]2c3ccsc3CC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182661215 1029975968 /nfs/dbraw/zinc/97/59/68/1029975968.db2.gz KRFQFTPOVFKGTA-KRWDZBQOSA-N 2 2 329.494 4.044 20 0 EIADLP c1csc([C@@H]2c3ccsc3CC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182661215 1029975989 /nfs/dbraw/zinc/97/59/89/1029975989.db2.gz KRFQFTPOVFKGTA-KRWDZBQOSA-N 2 2 329.494 4.044 20 0 EIADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450875809 1030076663 /nfs/dbraw/zinc/07/66/63/1030076663.db2.gz OETMKJFRHIZBPB-GOSISDBHSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450875809 1030076681 /nfs/dbraw/zinc/07/66/81/1030076681.db2.gz OETMKJFRHIZBPB-GOSISDBHSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450875809 1030076699 /nfs/dbraw/zinc/07/66/99/1030076699.db2.gz OETMKJFRHIZBPB-GOSISDBHSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450875809 1030076719 /nfs/dbraw/zinc/07/67/19/1030076719.db2.gz OETMKJFRHIZBPB-GOSISDBHSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450875821 1030077309 /nfs/dbraw/zinc/07/73/09/1030077309.db2.gz OETMKJFRHIZBPB-SFHVURJKSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC000450875821 1030077320 /nfs/dbraw/zinc/07/73/20/1030077320.db2.gz OETMKJFRHIZBPB-SFHVURJKSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450875821 1030077338 /nfs/dbraw/zinc/07/73/38/1030077338.db2.gz OETMKJFRHIZBPB-SFHVURJKSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450875821 1030077353 /nfs/dbraw/zinc/07/73/53/1030077353.db2.gz OETMKJFRHIZBPB-SFHVURJKSA-N 2 2 333.545 4.096 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CCC2 ZINC000367387085 1030144988 /nfs/dbraw/zinc/14/49/88/1030144988.db2.gz ZVWYMFDYCQVSBA-HNAYVOBHSA-N 2 2 334.467 4.217 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185564367 1030202692 /nfs/dbraw/zinc/20/26/92/1030202692.db2.gz ACTOPWNKWYJDQN-PCKAHOCUSA-N 2 2 343.437 4.043 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185564367 1030202720 /nfs/dbraw/zinc/20/27/20/1030202720.db2.gz ACTOPWNKWYJDQN-PCKAHOCUSA-N 2 2 343.437 4.043 20 0 EIADLP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000447684022 1030271645 /nfs/dbraw/zinc/27/16/45/1030271645.db2.gz WERNPUIQWUGNIH-UHFFFAOYSA-N 2 2 337.398 4.125 20 0 EIADLP C[C@@H](CCc1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000685427802 1030305747 /nfs/dbraw/zinc/30/57/47/1030305747.db2.gz ITOIMDDULCJLCB-IBGZPJMESA-N 2 2 333.479 4.290 20 0 EIADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000530336832 1030321666 /nfs/dbraw/zinc/32/16/66/1030321666.db2.gz BEIAXXVKZNKJFQ-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP CC1(C)CCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530366261 1030341444 /nfs/dbraw/zinc/34/14/44/1030341444.db2.gz KSTRVWTVWTYUNQ-GPANFISMSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447893706 1030405456 /nfs/dbraw/zinc/40/54/56/1030405456.db2.gz PLPJFSJRWVDXRO-CABCVRRESA-N 2 2 335.561 4.183 20 0 EIADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000447893706 1030405472 /nfs/dbraw/zinc/40/54/72/1030405472.db2.gz PLPJFSJRWVDXRO-CABCVRRESA-N 2 2 335.561 4.183 20 0 EIADLP CCc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000527241044 1030572790 /nfs/dbraw/zinc/57/27/90/1030572790.db2.gz DQUXYULPAWKSRJ-UHFFFAOYSA-N 2 2 346.462 4.205 20 0 EIADLP Fc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC000527349000 1030637235 /nfs/dbraw/zinc/63/72/35/1030637235.db2.gz YKOCDBWWXNHJBQ-OALUTQOASA-N 2 2 335.426 4.437 20 0 EIADLP Clc1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000321891447 1030668595 /nfs/dbraw/zinc/66/85/95/1030668595.db2.gz LNPRMFBMJOCRRM-OAHLLOKOSA-N 2 2 347.915 4.433 20 0 EIADLP Cc1csc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)n1 ZINC000192165175 1030678462 /nfs/dbraw/zinc/67/84/62/1030678462.db2.gz ADDKGOSBYXFGQL-SFHVURJKSA-N 2 2 338.480 4.187 20 0 EIADLP COc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000527781231 1030846262 /nfs/dbraw/zinc/84/62/62/1030846262.db2.gz KKSSKCLWULBPRG-UHFFFAOYSA-N 2 2 339.414 4.045 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccccc1 ZINC000658198349 1030877977 /nfs/dbraw/zinc/87/79/77/1030877977.db2.gz XOPSFIREURZTKZ-NGICGMGXSA-N 2 2 349.453 4.379 20 0 EIADLP CC[NH+](CC)Cc1nc(C2([NH2+]CC3CCCCCC3)CCCC2)no1 ZINC000531251301 1031027762 /nfs/dbraw/zinc/02/77/62/1031027762.db2.gz VHCOVBRESDBQJC-UHFFFAOYSA-N 2 2 348.535 4.241 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421840423 1031035177 /nfs/dbraw/zinc/03/51/77/1031035177.db2.gz ZBOFTRMWXUKRCM-XLIONFOSSA-N 2 2 337.511 4.048 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015854 1031063281 /nfs/dbraw/zinc/06/32/81/1031063281.db2.gz ZIGHIUJXVXBFPY-VGOFRKELSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015854 1031063297 /nfs/dbraw/zinc/06/32/97/1031063297.db2.gz ZIGHIUJXVXBFPY-VGOFRKELSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532448165 1031076678 /nfs/dbraw/zinc/07/66/78/1031076678.db2.gz SJQNLCLADFSNJH-UWVAXJGDSA-N 2 2 327.472 4.118 20 0 EIADLP COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532454850 1031096175 /nfs/dbraw/zinc/09/61/75/1031096175.db2.gz ZXPSPMLBZQQMLG-KRWDZBQOSA-N 2 2 335.451 4.083 20 0 EIADLP CC[N@@H+](Cc1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000531487753 1031310047 /nfs/dbraw/zinc/31/00/47/1031310047.db2.gz RKLUYIILFYIUHD-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1ccc(F)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000531487753 1031310059 /nfs/dbraw/zinc/31/00/59/1031310059.db2.gz RKLUYIILFYIUHD-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000375838368 1031341364 /nfs/dbraw/zinc/34/13/64/1031341364.db2.gz IXNZNMSUZYKNMH-LSDHHAIUSA-N 2 2 347.890 4.390 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc(F)c1 ZINC000449073521 1031426097 /nfs/dbraw/zinc/42/60/97/1031426097.db2.gz IYCCCDGOTGSCHW-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP CSCC1CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000449166605 1031503036 /nfs/dbraw/zinc/50/30/36/1031503036.db2.gz DZXWPHCLPAMUOF-KLHKWILBSA-N 2 2 329.513 4.445 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000449250211 1031567288 /nfs/dbraw/zinc/56/72/88/1031567288.db2.gz OLZLVEQVSWSJKD-KRWDZBQOSA-N 2 2 338.561 4.050 20 0 EIADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000375947079 1031578185 /nfs/dbraw/zinc/57/81/85/1031578185.db2.gz JYIJCIILTAQAKG-CYBMUJFWSA-N 2 2 326.831 4.006 20 0 EIADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)CC1CCOCC1 ZINC000449351748 1031647842 /nfs/dbraw/zinc/64/78/42/1031647842.db2.gz QWJONPXXGRLPRB-OAHLLOKOSA-N 2 2 347.890 4.068 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453177554 1031650631 /nfs/dbraw/zinc/65/06/31/1031650631.db2.gz RXIMIOHEAOZGPE-IIBYNOLFSA-N 2 2 327.516 4.165 20 0 EIADLP c1ccc([C@H]2CCC[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449401606 1031705583 /nfs/dbraw/zinc/70/55/83/1031705583.db2.gz NICFFKKYQBKKTE-TZIWHRDSSA-N 2 2 335.495 4.224 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453217762 1031735100 /nfs/dbraw/zinc/73/51/00/1031735100.db2.gz JHQNVEXHNATKOF-NVXWUHKLSA-N 2 2 335.476 4.412 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000531974838 1031914280 /nfs/dbraw/zinc/91/42/80/1031914280.db2.gz OWISQOOJYFJQMN-SFTDATJTSA-N 2 2 344.543 4.192 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394300 1031959369 /nfs/dbraw/zinc/95/93/69/1031959369.db2.gz ISMOLVSQEYFXGA-PXNSSMCTSA-N 2 2 327.516 4.018 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453394300 1031959386 /nfs/dbraw/zinc/95/93/86/1031959386.db2.gz ISMOLVSQEYFXGA-PXNSSMCTSA-N 2 2 327.516 4.018 20 0 EIADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925221812 1031975212 /nfs/dbraw/zinc/97/52/12/1031975212.db2.gz PPHGCBAZARXPEZ-SFHVURJKSA-N 2 2 333.907 4.109 20 0 EIADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000193431100 1032049214 /nfs/dbraw/zinc/04/92/14/1032049214.db2.gz SCQMKIKEOFCBHW-UWJYYQICSA-N 2 2 335.451 4.301 20 0 EIADLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152125726 1033544210 /nfs/dbraw/zinc/54/42/10/1033544210.db2.gz OQEAPOZGACZMHW-QGZVFWFLSA-N 2 2 335.451 4.181 20 0 EIADLP Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)c2ccccc2[nH+]1 ZINC000051856283 1033884895 /nfs/dbraw/zinc/88/48/95/1033884895.db2.gz SUELQUDHSVECCE-UHFFFAOYSA-N 2 2 328.419 4.400 20 0 EIADLP FC(F)(F)Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052002372 1034138792 /nfs/dbraw/zinc/13/87/92/1034138792.db2.gz SNHIVSDYAXMWTD-UHFFFAOYSA-N 2 2 342.405 4.036 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513340327 1034882752 /nfs/dbraw/zinc/88/27/52/1034882752.db2.gz IYIKIJDTVCUHCF-GJZGRUSLSA-N 2 2 341.421 4.009 20 0 EIADLP c1cn(-c2ccc(C[NH2+]CCOc3ccc4ccccc4c3)cc2)c[nH+]1 ZINC000513609599 1035055880 /nfs/dbraw/zinc/05/58/80/1035055880.db2.gz USECVLLNYYDNEE-UHFFFAOYSA-N 2 2 343.430 4.194 20 0 EIADLP CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420368808 1035557313 /nfs/dbraw/zinc/55/73/13/1035557313.db2.gz IKRPEEDGMTXDBQ-RDTXWAMCSA-N 2 2 344.503 4.264 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000669615344 1036249810 /nfs/dbraw/zinc/24/98/10/1036249810.db2.gz MENHTRYGEBMGQA-OFLPRAFFSA-N 2 2 333.426 4.117 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720494 1036561228 /nfs/dbraw/zinc/56/12/28/1036561228.db2.gz GAHXPXICJJNWIF-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720494 1036561240 /nfs/dbraw/zinc/56/12/40/1036561240.db2.gz GAHXPXICJJNWIF-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720494 1036561254 /nfs/dbraw/zinc/56/12/54/1036561254.db2.gz GAHXPXICJJNWIF-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000502720494 1036561271 /nfs/dbraw/zinc/56/12/71/1036561271.db2.gz GAHXPXICJJNWIF-SJORKVTESA-N 2 2 337.305 4.070 20 0 EIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C(C)C)c(F)c1 ZINC000421828971 1036787521 /nfs/dbraw/zinc/78/75/21/1036787521.db2.gz GGUMZJWGRIFGAY-KXBFYZLASA-N 2 2 345.462 4.204 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000572638860 1036805140 /nfs/dbraw/zinc/80/51/40/1036805140.db2.gz VAKMBSKXNJTMOL-NHXNDTTKSA-N 2 2 337.389 4.231 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720547 1036813484 /nfs/dbraw/zinc/81/34/84/1036813484.db2.gz VJDPWYJTVIFWQO-MSOLQXFVSA-N 2 2 341.524 4.381 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720547 1036813487 /nfs/dbraw/zinc/81/34/87/1036813487.db2.gz VJDPWYJTVIFWQO-MSOLQXFVSA-N 2 2 341.524 4.381 20 0 EIADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720550 1036813755 /nfs/dbraw/zinc/81/37/55/1036813755.db2.gz VJDPWYJTVIFWQO-ZWKOTPCHSA-N 2 2 341.524 4.381 20 0 EIADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccs1 ZINC000572720550 1036813756 /nfs/dbraw/zinc/81/37/56/1036813756.db2.gz VJDPWYJTVIFWQO-ZWKOTPCHSA-N 2 2 341.524 4.381 20 0 EIADLP Clc1cccc(N2CCCC2)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271704068 1036983231 /nfs/dbraw/zinc/98/32/31/1036983231.db2.gz DTLWSTRCAXMPCZ-UHFFFAOYSA-N 2 2 344.890 4.043 20 0 EIADLP c1csc(C([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccs2)c1 ZINC001168372344 1037025172 /nfs/dbraw/zinc/02/51/72/1037025172.db2.gz VEQSTLLRYBHQPF-UHFFFAOYSA-N 2 2 332.538 4.363 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590612063 1037117242 /nfs/dbraw/zinc/11/72/42/1037117242.db2.gz WYJCRWHVABEDJS-GOSISDBHSA-N 2 2 344.462 4.064 20 0 EIADLP CSCC1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000590646889 1037131214 /nfs/dbraw/zinc/13/12/14/1037131214.db2.gz TVUJNQOULWVMSF-NKELODKYSA-N 2 2 343.540 4.215 20 0 EIADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000272276100 1037149465 /nfs/dbraw/zinc/14/94/65/1037149465.db2.gz OCJYSWAVLMGHLT-FQEVSTJZSA-N 2 2 338.499 4.175 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H](C)C2 ZINC000272310301 1037155208 /nfs/dbraw/zinc/15/52/08/1037155208.db2.gz RJHJFZJNCLENPL-VGSWGCGISA-N 2 2 331.463 4.263 20 0 EIADLP CC(C)c1csc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272572423 1037233818 /nfs/dbraw/zinc/23/38/18/1037233818.db2.gz IKHANDORKQUPRO-SJLPKXTDSA-N 2 2 343.540 4.267 20 0 EIADLP CC(C)c1csc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272572423 1037233848 /nfs/dbraw/zinc/23/38/48/1037233848.db2.gz IKHANDORKQUPRO-SJLPKXTDSA-N 2 2 343.540 4.267 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272869450 1037314282 /nfs/dbraw/zinc/31/42/82/1037314282.db2.gz VZSBRBMIBQBOJW-QAPCUYQASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272869450 1037314305 /nfs/dbraw/zinc/31/43/05/1037314305.db2.gz VZSBRBMIBQBOJW-QAPCUYQASA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272869445 1037315893 /nfs/dbraw/zinc/31/58/93/1037315893.db2.gz VZSBRBMIBQBOJW-MAUKXSAKSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272869445 1037315922 /nfs/dbraw/zinc/31/59/22/1037315922.db2.gz VZSBRBMIBQBOJW-MAUKXSAKSA-N 2 2 341.524 4.021 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)n2c1CCCC2 ZINC000669714455 1037354180 /nfs/dbraw/zinc/35/41/80/1037354180.db2.gz AKQVUIKPPCLZNA-LJQANCHMSA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)n2c1CCCC2 ZINC000669714455 1037354196 /nfs/dbraw/zinc/35/41/96/1037354196.db2.gz AKQVUIKPPCLZNA-LJQANCHMSA-N 2 2 335.495 4.476 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000604415246 1037381577 /nfs/dbraw/zinc/38/15/77/1037381577.db2.gz JWIMWKLUAZJUGF-UHFFFAOYSA-N 2 2 327.403 4.161 20 0 EIADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433957 1037756011 /nfs/dbraw/zinc/75/60/11/1037756011.db2.gz JUNSIIYEDZOVHN-QUCCMNQESA-N 2 2 337.511 4.420 20 0 EIADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433957 1037756039 /nfs/dbraw/zinc/75/60/39/1037756039.db2.gz JUNSIIYEDZOVHN-QUCCMNQESA-N 2 2 337.511 4.420 20 0 EIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422740251 1037822809 /nfs/dbraw/zinc/82/28/09/1037822809.db2.gz BJZHZMNFODVQQN-DXIQSLLYSA-N 3 2 343.559 4.112 20 0 EIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422874196 1037858809 /nfs/dbraw/zinc/85/88/09/1037858809.db2.gz CGFMFZGQGORYSN-MQNAVGNWSA-N 3 2 349.522 4.153 20 0 EIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422874196 1037858814 /nfs/dbraw/zinc/85/88/14/1037858814.db2.gz CGFMFZGQGORYSN-MQNAVGNWSA-N 3 2 349.522 4.153 20 0 EIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422967258 1037883394 /nfs/dbraw/zinc/88/33/94/1037883394.db2.gz OTCKRCNGMFAORR-XZOQPEGZSA-N 3 2 349.522 4.153 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971949 1037893934 /nfs/dbraw/zinc/89/39/34/1037893934.db2.gz ZEPFPWKQPDYTRH-LGGPRVQUSA-N 2 2 336.479 4.024 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2cccc(Cl)c2)cc1 ZINC000423003502 1037897818 /nfs/dbraw/zinc/89/78/18/1037897818.db2.gz MJEABTYSQOPUHV-XOBRGWDASA-N 2 2 344.886 4.026 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055909 1037923920 /nfs/dbraw/zinc/92/39/20/1037923920.db2.gz DYQWRLHMAQFQKS-TVYUQYBPSA-N 2 2 337.286 4.306 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC([NH+](C)C)CC1 ZINC000503941828 1038029594 /nfs/dbraw/zinc/02/95/94/1038029594.db2.gz NUQKWIVKTMYVGQ-WYMLVPIESA-N 2 2 326.406 4.135 20 0 EIADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000423223621 1038067641 /nfs/dbraw/zinc/06/76/41/1038067641.db2.gz GYBJXFOOGMLZLI-NSHDSACASA-N 2 2 339.302 4.048 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246120 1038077365 /nfs/dbraw/zinc/07/73/65/1038077365.db2.gz PHILJKRCFDWWEB-KDOFPFPSSA-N 2 2 337.492 4.469 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423377509 1038191174 /nfs/dbraw/zinc/19/11/74/1038191174.db2.gz LUASSVSAIUQHOX-VMDGZTHMSA-N 2 2 332.850 4.299 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423498540 1038253926 /nfs/dbraw/zinc/25/39/26/1038253926.db2.gz ICXZCHWNAVMPEN-RDTXWAMCSA-N 2 2 344.524 4.330 20 0 EIADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000423502093 1038258197 /nfs/dbraw/zinc/25/81/97/1038258197.db2.gz LTUZUQCJTBSEJY-FOIQADDNSA-N 2 2 325.456 4.042 20 0 EIADLP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423512178 1038270540 /nfs/dbraw/zinc/27/05/40/1038270540.db2.gz UPGRADMULNRKGR-DYESRHJHSA-N 3 2 334.467 4.003 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423571454 1038296607 /nfs/dbraw/zinc/29/66/07/1038296607.db2.gz XOHSBRBWXGEFOR-GXTWGEPZSA-N 2 2 333.476 4.050 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173491052 1038374871 /nfs/dbraw/zinc/37/48/71/1038374871.db2.gz QUTBSYLNDYJBQC-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000173491052 1038374883 /nfs/dbraw/zinc/37/48/83/1038374883.db2.gz QUTBSYLNDYJBQC-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491052 1038374893 /nfs/dbraw/zinc/37/48/93/1038374893.db2.gz QUTBSYLNDYJBQC-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491052 1038374906 /nfs/dbraw/zinc/37/49/06/1038374906.db2.gz QUTBSYLNDYJBQC-LPHOPBHVSA-N 2 2 343.902 4.220 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1 ZINC000608072903 1038490052 /nfs/dbraw/zinc/49/00/52/1038490052.db2.gz MJGBUWMDJGXVAU-LJQANCHMSA-N 2 2 331.419 4.240 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000608075385 1038499472 /nfs/dbraw/zinc/49/94/72/1038499472.db2.gz VRFPHTVJDJOAOX-SFHVURJKSA-N 2 2 325.843 4.147 20 0 EIADLP Cc1ccccc1C[N@@H+]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000608078695 1038499756 /nfs/dbraw/zinc/49/97/56/1038499756.db2.gz FIOBQHMKMCUDLH-UHFFFAOYSA-N 2 2 337.492 4.317 20 0 EIADLP Cc1ccccc1C[N@H+]1CCCN(c2cc[nH+]c3ccsc32)CC1 ZINC000608078695 1038499767 /nfs/dbraw/zinc/49/97/67/1038499767.db2.gz FIOBQHMKMCUDLH-UHFFFAOYSA-N 2 2 337.492 4.317 20 0 EIADLP CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119248466 1038880893 /nfs/dbraw/zinc/88/08/93/1038880893.db2.gz SDHUIUYHNQVNGZ-KRWDZBQOSA-N 2 2 335.451 4.430 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000119305483 1038883677 /nfs/dbraw/zinc/88/36/77/1038883677.db2.gz MNUWJCRYMRCFJY-ICSRJNTNSA-N 2 2 329.532 4.098 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000119305483 1038883682 /nfs/dbraw/zinc/88/36/82/1038883682.db2.gz MNUWJCRYMRCFJY-ICSRJNTNSA-N 2 2 329.532 4.098 20 0 EIADLP C[N@H+](Cc1ccc2ncccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119317295 1038884248 /nfs/dbraw/zinc/88/42/48/1038884248.db2.gz BTBJWQJCBJXRBI-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1ccc2ncccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119317295 1038884252 /nfs/dbraw/zinc/88/42/52/1038884252.db2.gz BTBJWQJCBJXRBI-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP CC[N@@H+](Cc1cccc2cc[nH]c21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617398 1038899045 /nfs/dbraw/zinc/89/90/45/1038899045.db2.gz IUPAVVGEMCQHIB-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP CC[N@H+](Cc1cccc2cc[nH]c21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537617398 1038899048 /nfs/dbraw/zinc/89/90/48/1038899048.db2.gz IUPAVVGEMCQHIB-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616698 1038909765 /nfs/dbraw/zinc/90/97/65/1038909765.db2.gz WCMLOBXXQLYOSZ-NVXWUHKLSA-N 2 2 329.513 4.115 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616698 1038909785 /nfs/dbraw/zinc/90/97/85/1038909785.db2.gz WCMLOBXXQLYOSZ-NVXWUHKLSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616698 1038909806 /nfs/dbraw/zinc/90/98/06/1038909806.db2.gz WCMLOBXXQLYOSZ-NVXWUHKLSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000537616698 1038909825 /nfs/dbraw/zinc/90/98/25/1038909825.db2.gz WCMLOBXXQLYOSZ-NVXWUHKLSA-N 2 2 329.513 4.115 20 0 EIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000462118902 1038939878 /nfs/dbraw/zinc/93/98/78/1038939878.db2.gz GEFXFVRDFNTKDC-UXHICEINSA-N 2 2 325.500 4.460 20 0 EIADLP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCn2cc[nH+]c2)c1 ZINC000539359776 1039019045 /nfs/dbraw/zinc/01/90/45/1039019045.db2.gz HMGVDYUWKIDSEX-QFIPXVFZSA-N 2 2 349.478 4.082 20 0 EIADLP COc1ccsc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000537629118 1039118575 /nfs/dbraw/zinc/11/85/75/1039118575.db2.gz SZTIDPQLOVZEPF-SJLPKXTDSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000537629118 1039118581 /nfs/dbraw/zinc/11/85/81/1039118581.db2.gz SZTIDPQLOVZEPF-SJLPKXTDSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000537629118 1039118593 /nfs/dbraw/zinc/11/85/93/1039118593.db2.gz SZTIDPQLOVZEPF-SJLPKXTDSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000537629118 1039118603 /nfs/dbraw/zinc/11/86/03/1039118603.db2.gz SZTIDPQLOVZEPF-SJLPKXTDSA-N 2 2 344.524 4.242 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000120770694 1039198055 /nfs/dbraw/zinc/19/80/55/1039198055.db2.gz RHXFNHOGTCDXCF-OAHLLOKOSA-N 2 2 330.422 4.280 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000090418802 1039228194 /nfs/dbraw/zinc/22/81/94/1039228194.db2.gz WREISKWDAUURBW-RLFYNMQTSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000090418802 1039228216 /nfs/dbraw/zinc/22/82/16/1039228216.db2.gz WREISKWDAUURBW-RLFYNMQTSA-N 2 2 329.513 4.013 20 0 EIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc(C4CCC4)cc3)c2)c[nH+]1 ZINC000555524405 1039336916 /nfs/dbraw/zinc/33/69/16/1039336916.db2.gz KKTAUJUMIAYWRP-UHFFFAOYSA-N 2 2 331.463 4.489 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2Br)C1 ZINC000478036898 1039339490 /nfs/dbraw/zinc/33/94/90/1039339490.db2.gz WHUFFSGJZUONKS-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2Br)C1 ZINC000478036898 1039339501 /nfs/dbraw/zinc/33/95/01/1039339501.db2.gz WHUFFSGJZUONKS-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000478036898 1039339515 /nfs/dbraw/zinc/33/95/15/1039339515.db2.gz WHUFFSGJZUONKS-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000478036898 1039339528 /nfs/dbraw/zinc/33/95/28/1039339528.db2.gz WHUFFSGJZUONKS-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546663 1039351016 /nfs/dbraw/zinc/35/10/16/1039351016.db2.gz BACGIACUGWMAQQ-JPYJTQIMSA-N 2 2 349.522 4.349 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546663 1039351029 /nfs/dbraw/zinc/35/10/29/1039351029.db2.gz BACGIACUGWMAQQ-JPYJTQIMSA-N 2 2 349.522 4.349 20 0 EIADLP CCSc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000534497161 1039510947 /nfs/dbraw/zinc/51/09/47/1039510947.db2.gz LYDIFGBMCMGWFZ-OAHLLOKOSA-N 2 2 329.513 4.225 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000414846599 1039570558 /nfs/dbraw/zinc/57/05/58/1039570558.db2.gz NQPJEAJZRQNHIM-FQEVSTJZSA-N 2 2 330.516 4.139 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)o1 ZINC000093564131 1039714993 /nfs/dbraw/zinc/71/49/93/1039714993.db2.gz LQAPQRYHKHVUFU-MRXNPFEDSA-N 2 2 345.512 4.162 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)o1 ZINC000093564131 1039715012 /nfs/dbraw/zinc/71/50/12/1039715012.db2.gz LQAPQRYHKHVUFU-MRXNPFEDSA-N 2 2 345.512 4.162 20 0 EIADLP Fc1cc(Cl)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434662152 1039790460 /nfs/dbraw/zinc/79/04/60/1039790460.db2.gz HNIOKXFMLCWOFH-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678319 1039795739 /nfs/dbraw/zinc/79/57/39/1039795739.db2.gz FLCBPXYRDLCVBO-AWEZNQCLSA-N 2 2 345.437 4.438 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000550990268 1039855749 /nfs/dbraw/zinc/85/57/49/1039855749.db2.gz FZBNQKFQXNIYJC-ZWKOTPCHSA-N 2 2 346.421 4.213 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C[C@@H]1c1ccccc1 ZINC000550990268 1039855751 /nfs/dbraw/zinc/85/57/51/1039855751.db2.gz FZBNQKFQXNIYJC-ZWKOTPCHSA-N 2 2 346.421 4.213 20 0 EIADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2c(C)c1 ZINC000482013260 1039952522 /nfs/dbraw/zinc/95/25/22/1039952522.db2.gz UZAMXWCNUULHKO-KRWDZBQOSA-N 2 2 334.467 4.114 20 0 EIADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2c(C)c1 ZINC000482013260 1039952547 /nfs/dbraw/zinc/95/25/47/1039952547.db2.gz UZAMXWCNUULHKO-KRWDZBQOSA-N 2 2 334.467 4.114 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000482135642 1040029937 /nfs/dbraw/zinc/02/99/37/1040029937.db2.gz ODFNROSEDGNLCP-IXDOHACOSA-N 2 2 329.488 4.379 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000482141076 1040033006 /nfs/dbraw/zinc/03/30/06/1040033006.db2.gz XYTJVGXHGXIBMX-OWDMVUQNSA-N 2 2 341.474 4.158 20 0 EIADLP CCCc1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435061599 1040042508 /nfs/dbraw/zinc/04/25/08/1040042508.db2.gz QRJJDVDCZIEDHV-UHFFFAOYSA-N 2 2 344.528 4.008 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](CC)CC)cc1 ZINC000551228593 1040074413 /nfs/dbraw/zinc/07/44/13/1040074413.db2.gz JRRFSULDMOZGLF-UWJYYQICSA-N 2 2 332.532 4.037 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000482362198 1040199862 /nfs/dbraw/zinc/19/98/62/1040199862.db2.gz VSZBVVZWTSTGKC-GJZGRUSLSA-N 2 2 339.321 4.220 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000482362198 1040199876 /nfs/dbraw/zinc/19/98/76/1040199876.db2.gz VSZBVVZWTSTGKC-GJZGRUSLSA-N 2 2 339.321 4.220 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194346838 1040282008 /nfs/dbraw/zinc/28/20/08/1040282008.db2.gz JMFLOCGNJSISMC-MRXNPFEDSA-N 2 2 343.434 4.113 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1 ZINC000551542250 1040378919 /nfs/dbraw/zinc/37/89/19/1040378919.db2.gz DSJUCZNOMUKMGP-PWIZWCRZSA-N 2 2 330.516 4.041 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482633525 1040396901 /nfs/dbraw/zinc/39/69/01/1040396901.db2.gz QVSAYICKWBFWQU-SFHVURJKSA-N 2 2 332.532 4.152 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000482649430 1040408030 /nfs/dbraw/zinc/40/80/30/1040408030.db2.gz QGAYJAOPQZNDAS-NRFANRHFSA-N 2 2 346.559 4.123 20 0 EIADLP CC1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000479488588 1040418879 /nfs/dbraw/zinc/41/88/79/1040418879.db2.gz JIMSMXDEUIRARH-OHWJTAOLSA-N 2 2 329.532 4.098 20 0 EIADLP CC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000479488588 1040418888 /nfs/dbraw/zinc/41/88/88/1040418888.db2.gz JIMSMXDEUIRARH-OHWJTAOLSA-N 2 2 329.532 4.098 20 0 EIADLP c1cn(CCC[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000539449202 1040450480 /nfs/dbraw/zinc/45/04/80/1040450480.db2.gz ZDQNLIRZZICUTM-QFIPXVFZSA-N 2 2 331.463 4.115 20 0 EIADLP c1cn(CCC[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000539449202 1040450486 /nfs/dbraw/zinc/45/04/86/1040450486.db2.gz ZDQNLIRZZICUTM-QFIPXVFZSA-N 2 2 331.463 4.115 20 0 EIADLP CCCc1cccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000479557698 1040468041 /nfs/dbraw/zinc/46/80/41/1040468041.db2.gz LTJWKGRDFORLEN-UHFFFAOYSA-N 2 2 333.479 4.216 20 0 EIADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000515149797 1040509593 /nfs/dbraw/zinc/50/95/93/1040509593.db2.gz KLPPMLVGLNADJX-LJQANCHMSA-N 2 2 333.479 4.351 20 0 EIADLP CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435630135 1040511329 /nfs/dbraw/zinc/51/13/29/1040511329.db2.gz ZSQVKUNXUAKUAX-QGZVFWFLSA-N 2 2 347.890 4.267 20 0 EIADLP CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435630135 1040511348 /nfs/dbraw/zinc/51/13/48/1040511348.db2.gz ZSQVKUNXUAKUAX-QGZVFWFLSA-N 2 2 347.890 4.267 20 0 EIADLP Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533009 1040558693 /nfs/dbraw/zinc/55/86/93/1040558693.db2.gz BVNLLYGPLGEMQQ-QGZVFWFLSA-N 2 2 338.480 4.221 20 0 EIADLP Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533009 1040558727 /nfs/dbraw/zinc/55/87/27/1040558727.db2.gz BVNLLYGPLGEMQQ-QGZVFWFLSA-N 2 2 338.480 4.221 20 0 EIADLP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000539657848 1040660647 /nfs/dbraw/zinc/66/06/47/1040660647.db2.gz BMTAQKDCOABOAC-PKOBYXMFSA-N 2 2 338.499 4.012 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483209515 1040767887 /nfs/dbraw/zinc/76/78/87/1040767887.db2.gz BVGDNQKOEJWQNO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483209515 1040767901 /nfs/dbraw/zinc/76/79/01/1040767901.db2.gz BVGDNQKOEJWQNO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816807 1040809534 /nfs/dbraw/zinc/80/95/34/1040809534.db2.gz DIRFXEZYNUPJKL-WFASDCNBSA-N 2 2 345.314 4.307 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816807 1040809536 /nfs/dbraw/zinc/80/95/36/1040809536.db2.gz DIRFXEZYNUPJKL-WFASDCNBSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816807 1040809537 /nfs/dbraw/zinc/80/95/37/1040809537.db2.gz DIRFXEZYNUPJKL-WFASDCNBSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@@H]1C ZINC000539816807 1040809540 /nfs/dbraw/zinc/80/95/40/1040809540.db2.gz DIRFXEZYNUPJKL-WFASDCNBSA-N 2 2 345.314 4.307 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc3c(s1)CCCC3)CCC2 ZINC000483438480 1040859717 /nfs/dbraw/zinc/85/97/17/1040859717.db2.gz KMFFZYNQVDHRSY-GDBMZVCRSA-N 2 2 329.513 4.360 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CCc1ccccc1)C(C)C)CCC2 ZINC000483457723 1040865122 /nfs/dbraw/zinc/86/51/22/1040865122.db2.gz AMAVCUNXXWRXGA-UXHICEINSA-N 2 2 325.500 4.316 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000462783366 1040921437 /nfs/dbraw/zinc/92/14/37/1040921437.db2.gz NJYQBCKCGJKAQU-DXBBTUNJSA-N 2 2 344.543 4.254 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089328 1040926051 /nfs/dbraw/zinc/92/60/51/1040926051.db2.gz HFZBJLNIILNJHZ-HIFRSBDPSA-N 2 2 328.472 4.179 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000462805582 1040973990 /nfs/dbraw/zinc/97/39/90/1040973990.db2.gz HOSMQCCAFRQWFV-KSVNGYGVSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000462805582 1040974014 /nfs/dbraw/zinc/97/40/14/1040974014.db2.gz HOSMQCCAFRQWFV-KSVNGYGVSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1ccc2c(C)cc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)[nH+]c2c1 ZINC000460941993 1041065035 /nfs/dbraw/zinc/06/50/35/1041065035.db2.gz ZUUYNBAKBARIBT-QGZVFWFLSA-N 2 2 334.467 4.044 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000484013262 1041092154 /nfs/dbraw/zinc/09/21/54/1041092154.db2.gz KRAYGOVEMGBRAU-INIZCTEOSA-N 2 2 337.389 4.344 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000484013262 1041092173 /nfs/dbraw/zinc/09/21/73/1041092173.db2.gz KRAYGOVEMGBRAU-INIZCTEOSA-N 2 2 337.389 4.344 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480244505 1041102857 /nfs/dbraw/zinc/10/28/57/1041102857.db2.gz HJTGEMSSOMGRAP-CQSZACIVSA-N 2 2 338.483 4.059 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000540186156 1041253491 /nfs/dbraw/zinc/25/34/91/1041253491.db2.gz NCPHDBILSIKZMP-AWEZNQCLSA-N 2 2 343.298 4.279 20 0 EIADLP CC1(C)C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000480532079 1041367540 /nfs/dbraw/zinc/36/75/40/1041367540.db2.gz WHOOGRVCKAANIH-OAQYLSRUSA-N 2 2 345.490 4.486 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000484623952 1041377092 /nfs/dbraw/zinc/37/70/92/1041377092.db2.gz VXNUDFSKSAJELP-FPOVZHCZSA-N 2 2 343.559 4.488 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000484623952 1041377105 /nfs/dbraw/zinc/37/71/05/1041377105.db2.gz VXNUDFSKSAJELP-FPOVZHCZSA-N 2 2 343.559 4.488 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000480657343 1041458824 /nfs/dbraw/zinc/45/88/24/1041458824.db2.gz FQHOUKCJIJWYBA-UHFFFAOYSA-N 2 2 334.916 4.464 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718938 1041489884 /nfs/dbraw/zinc/48/98/84/1041489884.db2.gz XZJNJSDKMJKRPS-FUHWJXTLSA-N 2 2 343.540 4.423 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718938 1041489890 /nfs/dbraw/zinc/48/98/90/1041489890.db2.gz XZJNJSDKMJKRPS-FUHWJXTLSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718938 1041489892 /nfs/dbraw/zinc/48/98/92/1041489892.db2.gz XZJNJSDKMJKRPS-FUHWJXTLSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@@H]1C ZINC000538718938 1041489898 /nfs/dbraw/zinc/48/98/98/1041489898.db2.gz XZJNJSDKMJKRPS-FUHWJXTLSA-N 2 2 343.540 4.423 20 0 EIADLP COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000538731743 1041504172 /nfs/dbraw/zinc/50/41/72/1041504172.db2.gz JMIBVIZZOVCSDI-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000538731743 1041504189 /nfs/dbraw/zinc/50/41/89/1041504189.db2.gz JMIBVIZZOVCSDI-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000538731743 1041504198 /nfs/dbraw/zinc/50/41/98/1041504198.db2.gz JMIBVIZZOVCSDI-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000538731743 1041504208 /nfs/dbraw/zinc/50/42/08/1041504208.db2.gz JMIBVIZZOVCSDI-NQIIRXRSSA-N 2 2 338.495 4.180 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000538753987 1041530702 /nfs/dbraw/zinc/53/07/02/1041530702.db2.gz RVALWVPRWGLORV-RLLQIKCJSA-N 2 2 325.500 4.278 20 0 EIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000437096522 1041641516 /nfs/dbraw/zinc/64/15/16/1041641516.db2.gz MLGOGRMVKSQVIS-BEVDRBHNSA-N 2 2 346.490 4.282 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000540757471 1041644273 /nfs/dbraw/zinc/64/42/73/1041644273.db2.gz UZEXOCQKIHMVGB-YLJYHZDGSA-N 2 2 338.499 4.012 20 0 EIADLP CSC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990180 1041769649 /nfs/dbraw/zinc/76/96/49/1041769649.db2.gz FYSKMFGDIXEKNY-KCXAZCMYSA-N 2 2 346.462 4.182 20 0 EIADLP CSC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990180 1041769652 /nfs/dbraw/zinc/76/96/52/1041769652.db2.gz FYSKMFGDIXEKNY-KCXAZCMYSA-N 2 2 346.462 4.182 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000541539024 1041988800 /nfs/dbraw/zinc/98/88/00/1041988800.db2.gz VSRCCRVJSCUATQ-MAUKXSAKSA-N 2 2 342.449 4.390 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000541539024 1041988805 /nfs/dbraw/zinc/98/88/05/1041988805.db2.gz VSRCCRVJSCUATQ-MAUKXSAKSA-N 2 2 342.449 4.390 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541537122 1041999270 /nfs/dbraw/zinc/99/92/70/1041999270.db2.gz JUYVNUGDSYWPNH-LBPRGKRZSA-N 2 2 333.407 4.405 20 0 EIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000517543009 1042066440 /nfs/dbraw/zinc/06/64/40/1042066440.db2.gz VZRWVCHRCOKKRK-IRXDYDNUSA-N 2 2 344.524 4.004 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844501 1042135706 /nfs/dbraw/zinc/13/57/06/1042135706.db2.gz RBIZCFFTYNXAQL-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844501 1042135708 /nfs/dbraw/zinc/13/57/08/1042135708.db2.gz RBIZCFFTYNXAQL-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000438321203 1042137923 /nfs/dbraw/zinc/13/79/23/1042137923.db2.gz AIHPNAVLFYRPOE-UHFFFAOYSA-N 2 2 334.467 4.007 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000464770011 1042148907 /nfs/dbraw/zinc/14/89/07/1042148907.db2.gz BIIMDJOCPIYXEV-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000464770011 1042148911 /nfs/dbraw/zinc/14/89/11/1042148911.db2.gz BIIMDJOCPIYXEV-AWEZNQCLSA-N 2 2 345.314 4.036 20 0 EIADLP CC[N@@H+](Cc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803720 1042168225 /nfs/dbraw/zinc/16/82/25/1042168225.db2.gz ACNXXTGDLSWBLN-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP CC[N@H+](Cc1c(C)cccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803720 1042168228 /nfs/dbraw/zinc/16/82/28/1042168228.db2.gz ACNXXTGDLSWBLN-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP CC[N@@H+](Cc1ccc2c(c1)CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807138 1042179003 /nfs/dbraw/zinc/17/90/03/1042179003.db2.gz GUMQARKOYWXJMG-UHFFFAOYSA-N 2 2 349.522 4.309 20 0 EIADLP CC[N@H+](Cc1ccc2c(c1)CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807138 1042179011 /nfs/dbraw/zinc/17/90/11/1042179011.db2.gz GUMQARKOYWXJMG-UHFFFAOYSA-N 2 2 349.522 4.309 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(OC(F)F)cc1C ZINC000506384514 1042373544 /nfs/dbraw/zinc/37/35/44/1042373544.db2.gz XDRCJVFGCXBYJJ-UHFFFAOYSA-N 2 2 340.458 4.209 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OC(F)F)cc1C ZINC000506384514 1042373547 /nfs/dbraw/zinc/37/35/47/1042373547.db2.gz XDRCJVFGCXBYJJ-UHFFFAOYSA-N 2 2 340.458 4.209 20 0 EIADLP c1cc(-c2ccccc2)sc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000506476594 1042485691 /nfs/dbraw/zinc/48/56/91/1042485691.db2.gz IIBHCJSXLNCEKB-UHFFFAOYSA-N 2 2 326.509 4.475 20 0 EIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000173434126 1042572558 /nfs/dbraw/zinc/57/25/58/1042572558.db2.gz MIIUGACFOAMCMQ-OALUTQOASA-N 2 2 338.495 4.237 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000426349443 1042582038 /nfs/dbraw/zinc/58/20/38/1042582038.db2.gz DWKURLTYAYGGGB-YJBOKZPZSA-N 2 2 333.520 4.068 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000506689522 1042777260 /nfs/dbraw/zinc/77/72/60/1042777260.db2.gz NPXYXNBHZIRRDX-UHFFFAOYSA-N 2 2 330.447 4.310 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000506689522 1042777267 /nfs/dbraw/zinc/77/72/67/1042777267.db2.gz NPXYXNBHZIRRDX-UHFFFAOYSA-N 2 2 330.447 4.310 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168447483 1042816843 /nfs/dbraw/zinc/81/68/43/1042816843.db2.gz XGPVMLAEODSUDU-NRFANRHFSA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168447483 1042816844 /nfs/dbraw/zinc/81/68/44/1042816844.db2.gz XGPVMLAEODSUDU-NRFANRHFSA-N 2 2 335.426 4.001 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000177207843 1042830542 /nfs/dbraw/zinc/83/05/42/1042830542.db2.gz JZZMNHGSCIAILO-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000493174279 1042838116 /nfs/dbraw/zinc/83/81/16/1042838116.db2.gz IIIDZNMZEMRPSF-UZLBHIALSA-N 2 2 341.474 4.487 20 0 EIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000520590552 1042910034 /nfs/dbraw/zinc/91/00/34/1042910034.db2.gz MZPOUGWAKFNRTC-GOSISDBHSA-N 2 2 345.874 4.017 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000507786828 1042937688 /nfs/dbraw/zinc/93/76/88/1042937688.db2.gz ZUPAFEMUIYJHDM-JXFKEZNVSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000507786828 1042937693 /nfs/dbraw/zinc/93/76/93/1042937693.db2.gz ZUPAFEMUIYJHDM-JXFKEZNVSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786828 1042937700 /nfs/dbraw/zinc/93/77/00/1042937700.db2.gz ZUPAFEMUIYJHDM-JXFKEZNVSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786828 1042937705 /nfs/dbraw/zinc/93/77/05/1042937705.db2.gz ZUPAFEMUIYJHDM-JXFKEZNVSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000507786830 1042938126 /nfs/dbraw/zinc/93/81/26/1042938126.db2.gz ZUPAFEMUIYJHDM-OXQOHEQNSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000507786830 1042938140 /nfs/dbraw/zinc/93/81/40/1042938140.db2.gz ZUPAFEMUIYJHDM-OXQOHEQNSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786830 1042938148 /nfs/dbraw/zinc/93/81/48/1042938148.db2.gz ZUPAFEMUIYJHDM-OXQOHEQNSA-N 2 2 326.459 4.407 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC[NH+]1C ZINC000507786830 1042938161 /nfs/dbraw/zinc/93/81/61/1042938161.db2.gz ZUPAFEMUIYJHDM-OXQOHEQNSA-N 2 2 326.459 4.407 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000895110359 1043019189 /nfs/dbraw/zinc/01/91/89/1043019189.db2.gz JLKYAXWYSQGTAX-KLHDSHLOSA-N 2 2 341.421 4.279 20 0 EIADLP CCCc1csc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000494152126 1043023331 /nfs/dbraw/zinc/02/33/31/1043023331.db2.gz HSSPAVDNZZIPGQ-CQSZACIVSA-N 2 2 340.496 4.441 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000895115315 1043035527 /nfs/dbraw/zinc/03/55/27/1043035527.db2.gz OTOQQXSRWSVVSV-FHWLQOOXSA-N 2 2 343.515 4.040 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507810213 1043042371 /nfs/dbraw/zinc/04/23/71/1043042371.db2.gz GOIOOXUAOVCOLB-UHFFFAOYSA-N 2 2 328.456 4.378 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507810213 1043042375 /nfs/dbraw/zinc/04/23/75/1043042375.db2.gz GOIOOXUAOVCOLB-UHFFFAOYSA-N 2 2 328.456 4.378 20 0 EIADLP CCC(CC)(CC)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000542949040 1043063730 /nfs/dbraw/zinc/06/37/30/1043063730.db2.gz QWBGJOAYWAPHDG-UHFFFAOYSA-N 2 2 331.548 4.237 20 0 EIADLP CCC(CC)(CC)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000542949040 1043063734 /nfs/dbraw/zinc/06/37/34/1043063734.db2.gz QWBGJOAYWAPHDG-UHFFFAOYSA-N 2 2 331.548 4.237 20 0 EIADLP CC1CC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000184341932 1043091857 /nfs/dbraw/zinc/09/18/57/1043091857.db2.gz LBYBNFOMGAXBAL-UHFFFAOYSA-N 2 2 331.463 4.487 20 0 EIADLP c1c[nH+]c(C2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000507884667 1043183180 /nfs/dbraw/zinc/18/31/80/1043183180.db2.gz ATFFRMJNLWXRLW-UHFFFAOYSA-N 2 2 331.463 4.421 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2ccccc2)c1 ZINC000427865199 1043238984 /nfs/dbraw/zinc/23/89/84/1043238984.db2.gz HFFCKARAAAILRM-XLIONFOSSA-N 2 2 347.462 4.128 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427866033 1043239931 /nfs/dbraw/zinc/23/99/31/1043239931.db2.gz JRWNERIKWIIESI-DOTOQJQBSA-N 2 2 347.890 4.237 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(c1ccccc1)c1ccccc1 ZINC000427896457 1043243615 /nfs/dbraw/zinc/24/36/15/1043243615.db2.gz PKZRKCBMQOIDKC-PXNSSMCTSA-N 2 2 331.463 4.008 20 0 EIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427872870 1043243655 /nfs/dbraw/zinc/24/36/55/1043243655.db2.gz JZUAKRWXMDANDQ-FUHWJXTLSA-N 2 2 327.472 4.118 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427883650 1043249756 /nfs/dbraw/zinc/24/97/56/1043249756.db2.gz REFIDFKMVMVKNK-ULQDDVLXSA-N 2 2 349.400 4.143 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427891968 1043252599 /nfs/dbraw/zinc/25/25/99/1043252599.db2.gz MFBJRFXQWQGDPU-LPHOPBHVSA-N 2 2 347.462 4.224 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000427889404 1043253773 /nfs/dbraw/zinc/25/37/73/1043253773.db2.gz GSEJOYDFIWIBQE-CZUORRHYSA-N 2 2 341.455 4.416 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CCC2CC2)CCOCC1)c1ccccc1 ZINC000186349512 1043270049 /nfs/dbraw/zinc/27/00/49/1043270049.db2.gz BOFXDBOMEXMKHV-ZWKOTPCHSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cccnc2Cl)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012533 1043427173 /nfs/dbraw/zinc/42/71/73/1043427173.db2.gz BSRVQDQBFQFCMR-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP CCCc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000494378054 1043458902 /nfs/dbraw/zinc/45/89/02/1043458902.db2.gz PLOXFDXACRZZME-UHFFFAOYSA-N 2 2 343.540 4.371 20 0 EIADLP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338796982 1043510512 /nfs/dbraw/zinc/51/05/12/1043510512.db2.gz WOACEQYOMIESBA-XMTFNYHQSA-N 2 2 327.472 4.117 20 0 EIADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cn1 ZINC001168013738 1043664843 /nfs/dbraw/zinc/66/48/43/1043664843.db2.gz IYTDXOCYFHABTD-ULQDDVLXSA-N 2 2 341.474 4.313 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000543066455 1043723154 /nfs/dbraw/zinc/72/31/54/1043723154.db2.gz IIFBWJLEFWEQGF-WIYYLYMNSA-N 2 2 342.531 4.068 20 0 EIADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442651993 1043797152 /nfs/dbraw/zinc/79/71/52/1043797152.db2.gz QWMRJLXAJWTLMT-GDBMZVCRSA-N 2 2 328.422 4.271 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1ccccc1 ZINC000474037127 1043813450 /nfs/dbraw/zinc/81/34/50/1043813450.db2.gz SPOHVQOQSLXWOW-CIAFKFPVSA-N 2 2 344.543 4.254 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000701978447 1043862566 /nfs/dbraw/zinc/86/25/66/1043862566.db2.gz JGEZGOSKRZITSC-VQIMIIECSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000701978447 1043862571 /nfs/dbraw/zinc/86/25/71/1043862571.db2.gz JGEZGOSKRZITSC-VQIMIIECSA-N 2 2 329.513 4.014 20 0 EIADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208728 1043884229 /nfs/dbraw/zinc/88/42/29/1043884229.db2.gz DMPNKQXYUXPJPH-JBYIUTFZSA-N 2 2 347.462 4.223 20 0 EIADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208728 1043884231 /nfs/dbraw/zinc/88/42/31/1043884231.db2.gz DMPNKQXYUXPJPH-JBYIUTFZSA-N 2 2 347.462 4.223 20 0 EIADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COCc4ccccc43)CC[N@H+]2C2CC2)cc1 ZINC000639271655 1044253194 /nfs/dbraw/zinc/25/31/94/1044253194.db2.gz PBBXWXVAYKQPAY-PMOQBDJRSA-N 2 2 348.490 4.216 20 0 EIADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COCc4ccccc43)CC[N@@H+]2C2CC2)cc1 ZINC000639271655 1044253200 /nfs/dbraw/zinc/25/32/00/1044253200.db2.gz PBBXWXVAYKQPAY-PMOQBDJRSA-N 2 2 348.490 4.216 20 0 EIADLP c1sc(C2CCCC2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194537530 1044320540 /nfs/dbraw/zinc/32/05/40/1044320540.db2.gz HOCQTEKBAJGJLG-UHFFFAOYSA-N 2 2 333.545 4.109 20 0 EIADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192377 1044399645 /nfs/dbraw/zinc/39/96/45/1044399645.db2.gz UDVXQKHKDWRSFR-SBUREZEXSA-N 2 2 349.522 4.245 20 0 EIADLP CC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543408213 1044536095 /nfs/dbraw/zinc/53/60/95/1044536095.db2.gz AHAOAROCHRQPQL-NRFANRHFSA-N 2 2 341.474 4.022 20 0 EIADLP CCOc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675919247 1044559851 /nfs/dbraw/zinc/55/98/51/1044559851.db2.gz LPYHKKNHANNYJU-LAUBAEHRSA-N 2 2 349.478 4.453 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)[NH+]1CCCCC1 ZINC000543418748 1044563520 /nfs/dbraw/zinc/56/35/20/1044563520.db2.gz KFEGUKVVYVNKMR-HUUCEWRRSA-N 2 2 348.922 4.142 20 0 EIADLP CC[C@@H](Cc1cccs1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922190 1044563931 /nfs/dbraw/zinc/56/39/31/1044563931.db2.gz NYAAIYYGHKWNHZ-HKUYNNGSSA-N 2 2 339.508 4.376 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1F ZINC000675923028 1044564122 /nfs/dbraw/zinc/56/41/22/1044564122.db2.gz RDJMLRCUSDVKSU-AUUYWEPGSA-N 2 2 341.405 4.333 20 0 EIADLP CC[C@H](Cc1cccs1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922194 1044564915 /nfs/dbraw/zinc/56/49/15/1044564915.db2.gz NYAAIYYGHKWNHZ-MJGOQNOKSA-N 2 2 339.508 4.376 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000675924249 1044566244 /nfs/dbraw/zinc/56/62/44/1044566244.db2.gz WUCBPMOAHXSPRL-WOJBJXKFSA-N 2 2 335.426 4.120 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3c(Cl)cccc31)CCC2 ZINC000543596885 1044886862 /nfs/dbraw/zinc/88/68/62/1044886862.db2.gz XLAKOYUZPHFWLZ-KDOFPFPSSA-N 2 2 329.875 4.390 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154889 1044926127 /nfs/dbraw/zinc/92/61/27/1044926127.db2.gz YMXVZAHVKPFQDS-KDXIVRHGSA-N 2 2 345.490 4.486 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474458119 1044999783 /nfs/dbraw/zinc/99/97/83/1044999783.db2.gz HYNCSRSNZQKRAR-AWEZNQCLSA-N 2 2 338.948 4.414 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474458119 1044999791 /nfs/dbraw/zinc/99/97/91/1044999791.db2.gz HYNCSRSNZQKRAR-AWEZNQCLSA-N 2 2 338.948 4.414 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474467397 1045017821 /nfs/dbraw/zinc/01/78/21/1045017821.db2.gz DYHCUKCINPWGOU-PMPSAXMXSA-N 2 2 331.529 4.110 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474467397 1045017834 /nfs/dbraw/zinc/01/78/34/1045017834.db2.gz DYHCUKCINPWGOU-PMPSAXMXSA-N 2 2 331.529 4.110 20 0 EIADLP C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671739228 1045155840 /nfs/dbraw/zinc/15/58/40/1045155840.db2.gz SBEXWEMCTUGGEP-KBPBESRZSA-N 2 2 348.406 4.131 20 0 EIADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000766259418 1045251523 /nfs/dbraw/zinc/25/15/23/1045251523.db2.gz YLSAAUYOGXAUSR-UGFHNGPFSA-N 2 2 343.298 4.137 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000236795230 1045366578 /nfs/dbraw/zinc/36/65/78/1045366578.db2.gz RHDBHZDRBFBTJQ-UHFFFAOYSA-N 2 2 330.447 4.358 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000237531618 1045388426 /nfs/dbraw/zinc/38/84/26/1045388426.db2.gz GOMBGDUEQLUYJD-INIZCTEOSA-N 2 2 344.449 4.323 20 0 EIADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC000237578867 1045389922 /nfs/dbraw/zinc/38/99/22/1045389922.db2.gz ICWNDTYQBDFYSE-MRXNPFEDSA-N 2 2 325.481 4.346 20 0 EIADLP Clc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237879434 1045398089 /nfs/dbraw/zinc/39/80/89/1045398089.db2.gz RBVANYBDTFEGHH-UHFFFAOYSA-N 2 2 328.887 4.137 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000768228651 1045760339 /nfs/dbraw/zinc/76/03/39/1045760339.db2.gz HNTPKXSHXILYIN-UHFFFAOYSA-N 2 2 332.460 4.040 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000768228651 1045760349 /nfs/dbraw/zinc/76/03/49/1045760349.db2.gz HNTPKXSHXILYIN-UHFFFAOYSA-N 2 2 332.460 4.040 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246940205 1045835093 /nfs/dbraw/zinc/83/50/93/1045835093.db2.gz HPFMFWRVPFTBKV-WOIUINJBSA-N 2 2 337.511 4.075 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000246940205 1045835096 /nfs/dbraw/zinc/83/50/96/1045835096.db2.gz HPFMFWRVPFTBKV-WOIUINJBSA-N 2 2 337.511 4.075 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000247175546 1045842794 /nfs/dbraw/zinc/84/27/94/1045842794.db2.gz YUXAGVUGMOHNIQ-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000247175546 1045842802 /nfs/dbraw/zinc/84/28/02/1045842802.db2.gz YUXAGVUGMOHNIQ-TYCQWZJGSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247201891 1045843119 /nfs/dbraw/zinc/84/31/19/1045843119.db2.gz WIKYXDQVCGRQDY-RTBURBONSA-N 3 2 340.515 4.035 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247201891 1045843123 /nfs/dbraw/zinc/84/31/23/1045843123.db2.gz WIKYXDQVCGRQDY-RTBURBONSA-N 3 2 340.515 4.035 20 0 EIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310362 1045939645 /nfs/dbraw/zinc/93/96/45/1045939645.db2.gz QLLIYAYUFKRJRM-KBXCAEBGSA-N 2 2 332.538 4.241 20 0 EIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310362 1045939659 /nfs/dbraw/zinc/93/96/59/1045939659.db2.gz QLLIYAYUFKRJRM-KBXCAEBGSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310362 1045939674 /nfs/dbraw/zinc/93/96/74/1045939674.db2.gz QLLIYAYUFKRJRM-KBXCAEBGSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310362 1045939682 /nfs/dbraw/zinc/93/96/82/1045939682.db2.gz QLLIYAYUFKRJRM-KBXCAEBGSA-N 2 2 332.538 4.241 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328249747 1045998253 /nfs/dbraw/zinc/99/82/53/1045998253.db2.gz SIMUUAXZGXHLMQ-QAPCUYQASA-N 2 2 344.886 4.046 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328249747 1045998264 /nfs/dbraw/zinc/99/82/64/1045998264.db2.gz SIMUUAXZGXHLMQ-QAPCUYQASA-N 2 2 344.886 4.046 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000769871454 1046100703 /nfs/dbraw/zinc/10/07/03/1046100703.db2.gz GVAZCNZNVJPXPN-GOEBONIOSA-N 2 2 347.528 4.170 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000769871454 1046100708 /nfs/dbraw/zinc/10/07/08/1046100708.db2.gz GVAZCNZNVJPXPN-GOEBONIOSA-N 2 2 347.528 4.170 20 0 EIADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658658 1046622186 /nfs/dbraw/zinc/62/21/86/1046622186.db2.gz PMXMAAFICKTECU-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658658 1046622191 /nfs/dbraw/zinc/62/21/91/1046622191.db2.gz PMXMAAFICKTECU-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658658 1046622198 /nfs/dbraw/zinc/62/21/98/1046622198.db2.gz PMXMAAFICKTECU-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000536658658 1046622209 /nfs/dbraw/zinc/62/22/09/1046622209.db2.gz PMXMAAFICKTECU-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000536696734 1046694023 /nfs/dbraw/zinc/69/40/23/1046694023.db2.gz NCSSYYQFBVAJES-KRWDZBQOSA-N 2 2 347.572 4.499 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000536696734 1046694040 /nfs/dbraw/zinc/69/40/40/1046694040.db2.gz NCSSYYQFBVAJES-KRWDZBQOSA-N 2 2 347.572 4.499 20 0 EIADLP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636733 1046724734 /nfs/dbraw/zinc/72/47/34/1046724734.db2.gz XTBZBTZYCLBUJQ-LPHOPBHVSA-N 2 2 329.463 4.172 20 0 EIADLP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000379636733 1046724744 /nfs/dbraw/zinc/72/47/44/1046724744.db2.gz XTBZBTZYCLBUJQ-LPHOPBHVSA-N 2 2 329.463 4.172 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC(C)C)CC2)cc1 ZINC001170060727 1046854687 /nfs/dbraw/zinc/85/46/87/1046854687.db2.gz CUDLXYZHJQKBKW-SFHVURJKSA-N 2 2 332.532 4.464 20 0 EIADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000536955876 1046879118 /nfs/dbraw/zinc/87/91/18/1046879118.db2.gz SPJPTUOYCYUXHM-NRFANRHFSA-N 2 2 335.426 4.311 20 0 EIADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCCNc3cccc[nH+]3)oc21 ZINC000537295257 1047074684 /nfs/dbraw/zinc/07/46/84/1047074684.db2.gz KIAPLLTXAZTFSV-OAHLLOKOSA-N 2 2 339.439 4.379 20 0 EIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)ccc1OC ZINC000806181600 1047191157 /nfs/dbraw/zinc/19/11/57/1047191157.db2.gz YPLPRCNFQUULMH-RDTXWAMCSA-N 2 2 340.458 4.375 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129262865 1047341427 /nfs/dbraw/zinc/34/14/27/1047341427.db2.gz OHZRMTVVNBXKQD-DLBZAZTESA-N 2 2 337.389 4.142 20 0 EIADLP c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000129672851 1047462171 /nfs/dbraw/zinc/46/21/71/1047462171.db2.gz IKEUWDKRLOZQHB-HXUWFJFHSA-N 2 2 340.511 4.430 20 0 EIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000045106246 1047679945 /nfs/dbraw/zinc/67/99/45/1047679945.db2.gz WXFDWQHWCAPLFQ-MRXNPFEDSA-N 2 2 336.277 4.167 20 0 EIADLP CCOc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132283277 1048248965 /nfs/dbraw/zinc/24/89/65/1048248965.db2.gz FCJIRKIUMDYIKG-SFHVURJKSA-N 2 2 349.478 4.223 20 0 EIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(OCC)c(F)c2)CC1 ZINC001144036664 1048384514 /nfs/dbraw/zinc/38/45/14/1048384514.db2.gz PPUKDSOMPHIYMZ-UHFFFAOYSA-N 2 2 340.458 4.060 20 0 EIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(OCC)c(F)c2)CC1 ZINC001144036664 1048384520 /nfs/dbraw/zinc/38/45/20/1048384520.db2.gz PPUKDSOMPHIYMZ-UHFFFAOYSA-N 2 2 340.458 4.060 20 0 EIADLP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579646 1048408910 /nfs/dbraw/zinc/40/89/10/1048408910.db2.gz DRCLSRSRNGKSPM-OXJNMPFZSA-N 2 2 343.540 4.486 20 0 EIADLP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579646 1048408917 /nfs/dbraw/zinc/40/89/17/1048408917.db2.gz DRCLSRSRNGKSPM-OXJNMPFZSA-N 2 2 343.540 4.486 20 0 EIADLP CC[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@H]1c1ccccc1 ZINC000809591995 1048428089 /nfs/dbraw/zinc/42/80/89/1048428089.db2.gz KTUHHRIDAZPCDP-QFBILLFUSA-N 2 2 343.540 4.220 20 0 EIADLP CC[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@H]1c1ccccc1 ZINC000809591995 1048428102 /nfs/dbraw/zinc/42/81/02/1048428102.db2.gz KTUHHRIDAZPCDP-QFBILLFUSA-N 2 2 343.540 4.220 20 0 EIADLP COc1c(C)cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000920177585 1048573419 /nfs/dbraw/zinc/57/34/19/1048573419.db2.gz LEDLLQOUQOWMNR-OAQYLSRUSA-N 2 2 338.495 4.239 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)c1 ZINC001144326697 1048599443 /nfs/dbraw/zinc/59/94/43/1048599443.db2.gz NRFIPDUAKUAXIV-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)c1 ZINC001144326697 1048599458 /nfs/dbraw/zinc/59/94/58/1048599458.db2.gz NRFIPDUAKUAXIV-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC001171169922 1048621963 /nfs/dbraw/zinc/62/19/63/1048621963.db2.gz SOGAKANCNWKVOO-QGZVFWFLSA-N 2 2 344.462 4.073 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584107 1049014196 /nfs/dbraw/zinc/01/41/96/1049014196.db2.gz RTBTYZYVVCOAGC-JXFKEZNVSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584107 1049014211 /nfs/dbraw/zinc/01/42/11/1049014211.db2.gz RTBTYZYVVCOAGC-JXFKEZNVSA-N 2 2 343.902 4.298 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cccc(Cl)c3C2)cc1 ZINC001170914192 1049216560 /nfs/dbraw/zinc/21/65/60/1049216560.db2.gz HRXPAWWJSSIYIG-KRWDZBQOSA-N 2 2 337.854 4.392 20 0 EIADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000282779697 1049470604 /nfs/dbraw/zinc/47/06/04/1049470604.db2.gz QFHFXYDPRJGFPQ-QGZVFWFLSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2c(cccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH]1 ZINC000282779697 1049470615 /nfs/dbraw/zinc/47/06/15/1049470615.db2.gz QFHFXYDPRJGFPQ-QGZVFWFLSA-N 2 2 334.467 4.080 20 0 EIADLP Fc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348187582 1049480195 /nfs/dbraw/zinc/48/01/95/1049480195.db2.gz PFTJGSQLNKRUTJ-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348188835 1049482386 /nfs/dbraw/zinc/48/23/86/1049482386.db2.gz ULFDNQNBGGBXAL-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)cc(F)c3C2)c1 ZINC001170680873 1049514518 /nfs/dbraw/zinc/51/45/18/1049514518.db2.gz LVFXATDCMHXMIP-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP CC1CC[NH+](CCC[C@H]([NH2+]Cc2ccon2)c2ccc(F)cc2)CC1 ZINC000812720958 1049549167 /nfs/dbraw/zinc/54/91/67/1049549167.db2.gz IIXMTHLBFKYBNS-FQEVSTJZSA-N 2 2 345.462 4.157 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171444697 1049697613 /nfs/dbraw/zinc/69/76/13/1049697613.db2.gz GKYPJUMIBHSJNC-IBGZPJMESA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171444697 1049697620 /nfs/dbraw/zinc/69/76/20/1049697620.db2.gz GKYPJUMIBHSJNC-IBGZPJMESA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171500529 1049736759 /nfs/dbraw/zinc/73/67/59/1049736759.db2.gz QXTFAFZHSANXCG-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171500529 1049736770 /nfs/dbraw/zinc/73/67/70/1049736770.db2.gz QXTFAFZHSANXCG-LJQANCHMSA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)CC1(C)C ZINC001171631069 1049761861 /nfs/dbraw/zinc/76/18/61/1049761861.db2.gz VUBPAGWWQMDOBE-MRXNPFEDSA-N 2 2 338.442 4.029 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001171962127 1049825807 /nfs/dbraw/zinc/82/58/07/1049825807.db2.gz CQBHMXQKRHMHQO-CYBMUJFWSA-N 2 2 333.357 4.074 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC001171970965 1049834592 /nfs/dbraw/zinc/83/45/92/1049834592.db2.gz GSUTYKIIUMPEJB-SFHVURJKSA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC001171970965 1049834599 /nfs/dbraw/zinc/83/45/99/1049834599.db2.gz GSUTYKIIUMPEJB-SFHVURJKSA-N 2 2 344.449 4.498 20 0 EIADLP CC(C)([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171975967 1049837627 /nfs/dbraw/zinc/83/76/27/1049837627.db2.gz OFTLBQPBLHBJIW-IBGZPJMESA-N 2 2 337.511 4.350 20 0 EIADLP CC(C)([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171975967 1049837628 /nfs/dbraw/zinc/83/76/28/1049837628.db2.gz OFTLBQPBLHBJIW-IBGZPJMESA-N 2 2 337.511 4.350 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984886 1049840141 /nfs/dbraw/zinc/84/01/41/1049840141.db2.gz YNMJKHVKGJWVPF-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984886 1049840142 /nfs/dbraw/zinc/84/01/42/1049840142.db2.gz YNMJKHVKGJWVPF-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132313 1049854829 /nfs/dbraw/zinc/85/48/29/1049854829.db2.gz KCNPCERQXKFZJZ-ZSHCYNCHSA-N 2 2 339.310 4.367 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132313 1049854835 /nfs/dbraw/zinc/85/48/35/1049854835.db2.gz KCNPCERQXKFZJZ-ZSHCYNCHSA-N 2 2 339.310 4.367 20 0 EIADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132313 1049854836 /nfs/dbraw/zinc/85/48/36/1049854836.db2.gz KCNPCERQXKFZJZ-ZSHCYNCHSA-N 2 2 339.310 4.367 20 0 EIADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001172132313 1049854843 /nfs/dbraw/zinc/85/48/43/1049854843.db2.gz KCNPCERQXKFZJZ-ZSHCYNCHSA-N 2 2 339.310 4.367 20 0 EIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1c3ccccc3Oc3ccccc31)C2 ZINC001172116288 1049858322 /nfs/dbraw/zinc/85/83/22/1049858322.db2.gz GTOOZELSIHADJX-BJWYYQGGSA-N 2 2 334.463 4.487 20 0 EIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1c3ccccc3Oc3ccccc31)C2 ZINC001172116288 1049858325 /nfs/dbraw/zinc/85/83/25/1049858325.db2.gz GTOOZELSIHADJX-BJWYYQGGSA-N 2 2 334.463 4.487 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3c(Cl)cccc3C2)c1 ZINC001171034772 1049880685 /nfs/dbraw/zinc/88/06/85/1049880685.db2.gz YHRSVYCGUYIUQJ-QGZVFWFLSA-N 2 2 337.854 4.392 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)c1 ZINC001172364760 1049896511 /nfs/dbraw/zinc/89/65/11/1049896511.db2.gz AQCKTGNSWJTPIN-FUHIMQAGSA-N 2 2 330.516 4.074 20 0 EIADLP CC[N@H+]([C@H](C)CCc1c(F)cc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001172575410 1049942051 /nfs/dbraw/zinc/94/20/51/1049942051.db2.gz WWNYHECNWPGTJC-CYBMUJFWSA-N 2 2 344.877 4.355 20 0 EIADLP CC[N@@H+]([C@H](C)CCc1c(F)cc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001172575410 1049942055 /nfs/dbraw/zinc/94/20/55/1049942055.db2.gz WWNYHECNWPGTJC-CYBMUJFWSA-N 2 2 344.877 4.355 20 0 EIADLP c1cc(C[NH2+]C2CCC3(CCCC3)CC2)cc(C[NH+]2CCOCC2)c1 ZINC001172724210 1049965776 /nfs/dbraw/zinc/96/57/76/1049965776.db2.gz DBZKWUMKVVEJOQ-UHFFFAOYSA-N 2 2 342.527 4.111 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248134566 1050043680 /nfs/dbraw/zinc/04/36/80/1050043680.db2.gz OWYINIUGASQWER-ILZDJORESA-N 2 2 341.499 4.364 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC001177222034 1050169092 /nfs/dbraw/zinc/16/90/92/1050169092.db2.gz FPCNPIKRTRFVBK-SFTDATJTSA-N 2 2 344.543 4.021 20 0 EIADLP Clc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000144753797 1050189860 /nfs/dbraw/zinc/18/98/60/1050189860.db2.gz AXLPMYWMEXUKLH-LJQANCHMSA-N 2 2 325.843 4.306 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC001212690644 1050203063 /nfs/dbraw/zinc/20/30/63/1050203063.db2.gz QMUOIGGPDAMAQP-UHFFFAOYSA-N 2 2 346.478 4.484 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc2c(s1)CCCC2 ZINC000091732486 1050277519 /nfs/dbraw/zinc/27/75/19/1050277519.db2.gz NHVMKLSWDGQLSW-OAHLLOKOSA-N 2 2 347.572 4.470 20 0 EIADLP CCCOC1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001173101469 1050302265 /nfs/dbraw/zinc/30/22/65/1050302265.db2.gz NKMKCYWYZBOVOJ-UHFFFAOYSA-N 2 2 327.472 4.042 20 0 EIADLP CCCOC1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001173101469 1050302278 /nfs/dbraw/zinc/30/22/78/1050302278.db2.gz NKMKCYWYZBOVOJ-UHFFFAOYSA-N 2 2 327.472 4.042 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539053 1050475626 /nfs/dbraw/zinc/47/56/26/1050475626.db2.gz KTTKUJYTSBSJLH-UKRRQHHQSA-N 2 2 329.315 4.387 20 0 EIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539053 1050475635 /nfs/dbraw/zinc/47/56/35/1050475635.db2.gz KTTKUJYTSBSJLH-UKRRQHHQSA-N 2 2 329.315 4.387 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001173550617 1050488165 /nfs/dbraw/zinc/48/81/65/1050488165.db2.gz MOOAYVKFXGNDMB-ZDUSSCGKSA-N 2 2 327.299 4.095 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001173550617 1050488179 /nfs/dbraw/zinc/48/81/79/1050488179.db2.gz MOOAYVKFXGNDMB-ZDUSSCGKSA-N 2 2 327.299 4.095 20 0 EIADLP COc1cc(Cl)c(C[NH2+]CCC[N@H+](C)CC(C)C)cc1Cl ZINC001179081792 1050626790 /nfs/dbraw/zinc/62/67/90/1050626790.db2.gz OOJQYSOXBBDFPF-UHFFFAOYSA-N 2 2 333.303 4.070 20 0 EIADLP COc1cc(Cl)c(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1Cl ZINC001179081792 1050626799 /nfs/dbraw/zinc/62/67/99/1050626799.db2.gz OOJQYSOXBBDFPF-UHFFFAOYSA-N 2 2 333.303 4.070 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3CC(C)(C)C)CC2)cc1 ZINC001179090928 1050629820 /nfs/dbraw/zinc/62/98/20/1050629820.db2.gz KCFKYGDDJCCKTQ-OXJNMPFZSA-N 2 2 329.532 4.136 20 0 EIADLP CCOc1ccc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001179944949 1050827907 /nfs/dbraw/zinc/82/79/07/1050827907.db2.gz BPEYOZPPBDLYPD-IBGZPJMESA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001179944949 1050827915 /nfs/dbraw/zinc/82/79/15/1050827915.db2.gz BPEYOZPPBDLYPD-IBGZPJMESA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001179944949 1050827920 /nfs/dbraw/zinc/82/79/20/1050827920.db2.gz BPEYOZPPBDLYPD-IBGZPJMESA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001179944949 1050827925 /nfs/dbraw/zinc/82/79/25/1050827925.db2.gz BPEYOZPPBDLYPD-IBGZPJMESA-N 2 2 342.483 4.022 20 0 EIADLP Cc1cc2cc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc2cc1C ZINC000152749449 1050841772 /nfs/dbraw/zinc/84/17/72/1050841772.db2.gz OHVSUPQYYNEBAZ-MRXNPFEDSA-N 2 2 337.467 4.476 20 0 EIADLP Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001203712992 1051106746 /nfs/dbraw/zinc/10/67/46/1051106746.db2.gz OQCVYPILEJDQMK-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001203712992 1051106754 /nfs/dbraw/zinc/10/67/54/1051106754.db2.gz OQCVYPILEJDQMK-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@H+](Cc2ccccc2)C1 ZINC001181196353 1051178228 /nfs/dbraw/zinc/17/82/28/1051178228.db2.gz MSBHSWGAVDAQHX-NQIIRXRSSA-N 2 2 347.506 4.211 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@@H+](Cc2ccccc2)C1 ZINC001181196353 1051178235 /nfs/dbraw/zinc/17/82/35/1051178235.db2.gz MSBHSWGAVDAQHX-NQIIRXRSSA-N 2 2 347.506 4.211 20 0 EIADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000620757821 1051275640 /nfs/dbraw/zinc/27/56/40/1051275640.db2.gz MPWSNWATYCSJGD-MRXNPFEDSA-N 2 2 325.456 4.398 20 0 EIADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001181807291 1051311635 /nfs/dbraw/zinc/31/16/35/1051311635.db2.gz CQFONIZLRCUYRL-INIZCTEOSA-N 2 2 340.433 4.191 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070801 1051360753 /nfs/dbraw/zinc/36/07/53/1051360753.db2.gz YDCUZWZFIGSTLY-XYPHTWIQSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070801 1051360761 /nfs/dbraw/zinc/36/07/61/1051360761.db2.gz YDCUZWZFIGSTLY-XYPHTWIQSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070801 1051360773 /nfs/dbraw/zinc/36/07/73/1051360773.db2.gz YDCUZWZFIGSTLY-XYPHTWIQSA-N 2 2 326.406 4.040 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070801 1051360782 /nfs/dbraw/zinc/36/07/82/1051360782.db2.gz YDCUZWZFIGSTLY-XYPHTWIQSA-N 2 2 326.406 4.040 20 0 EIADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2nsc3ccccc32)CC1 ZINC001175361967 1051550544 /nfs/dbraw/zinc/55/05/44/1051550544.db2.gz OIXZTUGZWXKOCF-KRWDZBQOSA-N 2 2 343.540 4.383 20 0 EIADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2nsc3ccccc32)CC1 ZINC001175361967 1051550556 /nfs/dbraw/zinc/55/05/56/1051550556.db2.gz OIXZTUGZWXKOCF-KRWDZBQOSA-N 2 2 343.540 4.383 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)[nH+]1 ZINC001192043311 1051620484 /nfs/dbraw/zinc/62/04/84/1051620484.db2.gz RJONMGUOUNYYMI-OAHLLOKOSA-N 2 2 333.838 4.259 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)c(F)c2)[nH+]1 ZINC001192043311 1051620486 /nfs/dbraw/zinc/62/04/86/1051620486.db2.gz RJONMGUOUNYYMI-OAHLLOKOSA-N 2 2 333.838 4.259 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182635215 1051654416 /nfs/dbraw/zinc/65/44/16/1051654416.db2.gz YDSQERPQEUHVMW-QXAKKESOSA-N 2 2 332.557 4.336 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182635215 1051654422 /nfs/dbraw/zinc/65/44/22/1051654422.db2.gz YDSQERPQEUHVMW-QXAKKESOSA-N 2 2 332.557 4.336 20 0 EIADLP CC1(C)[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC001182960835 1051750720 /nfs/dbraw/zinc/75/07/20/1051750720.db2.gz VNEMUDIHKUYIPP-IOMROCGXSA-N 2 2 342.527 4.229 20 0 EIADLP CC1(C)[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC001182960835 1051750733 /nfs/dbraw/zinc/75/07/33/1051750733.db2.gz VNEMUDIHKUYIPP-IOMROCGXSA-N 2 2 342.527 4.229 20 0 EIADLP CCC1([NH+](C)C)CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC001183197168 1051804020 /nfs/dbraw/zinc/80/40/20/1051804020.db2.gz OJVIRMGYTFFIGT-UHFFFAOYSA-N 2 2 326.887 4.218 20 0 EIADLP CO[C@H](C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291593 1051819262 /nfs/dbraw/zinc/81/92/62/1051819262.db2.gz KOOQVKLMQJNYKR-FCHUYYIVSA-N 2 2 344.543 4.226 20 0 EIADLP CO[C@H](C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291593 1051819265 /nfs/dbraw/zinc/81/92/65/1051819265.db2.gz KOOQVKLMQJNYKR-FCHUYYIVSA-N 2 2 344.543 4.226 20 0 EIADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371175 1051838811 /nfs/dbraw/zinc/83/88/11/1051838811.db2.gz OIORMRAFKZYFKZ-RXVVDRJESA-N 2 2 338.520 4.364 20 0 EIADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371175 1051838818 /nfs/dbraw/zinc/83/88/18/1051838818.db2.gz OIORMRAFKZYFKZ-RXVVDRJESA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371175 1051838821 /nfs/dbraw/zinc/83/88/21/1051838821.db2.gz OIORMRAFKZYFKZ-RXVVDRJESA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@@H]21 ZINC001183371175 1051838831 /nfs/dbraw/zinc/83/88/31/1051838831.db2.gz OIORMRAFKZYFKZ-RXVVDRJESA-N 2 2 338.520 4.364 20 0 EIADLP C[C@@H](CC1CCCC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738841 1051891172 /nfs/dbraw/zinc/89/11/72/1051891172.db2.gz IXJALZKWMFGJIG-IBGZPJMESA-N 2 2 344.543 4.226 20 0 EIADLP C[C@@H](CC1CCCC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738841 1051891176 /nfs/dbraw/zinc/89/11/76/1051891176.db2.gz IXJALZKWMFGJIG-IBGZPJMESA-N 2 2 344.543 4.226 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCCC1 ZINC000165330162 1052058404 /nfs/dbraw/zinc/05/84/04/1052058404.db2.gz NONIPJUHFLEJRA-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP c1cn(-c2ccccc2C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000166291576 1052092165 /nfs/dbraw/zinc/09/21/65/1052092165.db2.gz UEICLAJMXCRROP-WIYYLYMNSA-N 2 2 347.462 4.130 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000326354217 1052092561 /nfs/dbraw/zinc/09/25/61/1052092561.db2.gz ATSVWMWSQXOLBM-LJQANCHMSA-N 2 2 333.479 4.474 20 0 EIADLP c1cc(C2CCCC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194278965 1052112304 /nfs/dbraw/zinc/11/23/04/1052112304.db2.gz DZENYVOOEQGXJG-JOCHJYFZSA-N 2 2 342.527 4.031 20 0 EIADLP c1cc(C2CCCC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194278965 1052112309 /nfs/dbraw/zinc/11/23/09/1052112309.db2.gz DZENYVOOEQGXJG-JOCHJYFZSA-N 2 2 342.527 4.031 20 0 EIADLP CC[NH+](CC)[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccsc1 ZINC001184829674 1052112959 /nfs/dbraw/zinc/11/29/59/1052112959.db2.gz BHTJSJMTNWOUIU-SFHVURJKSA-N 2 2 344.528 4.220 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000623850113 1052822125 /nfs/dbraw/zinc/82/21/25/1052822125.db2.gz YEBVMBGSANZMIS-QZTJIDSGSA-N 2 2 333.476 4.105 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623861276 1052824366 /nfs/dbraw/zinc/82/43/66/1052824366.db2.gz UALUQUHVXWVDQR-PXAZEXFGSA-N 2 2 328.847 4.074 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623861279 1052824569 /nfs/dbraw/zinc/82/45/69/1052824569.db2.gz UALUQUHVXWVDQR-YVEFUNNKSA-N 2 2 328.847 4.074 20 0 EIADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000623865241 1052825165 /nfs/dbraw/zinc/82/51/65/1052825165.db2.gz LNMJYXSPFZSYTJ-MRXNPFEDSA-N 2 2 347.528 4.023 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000623905570 1052835280 /nfs/dbraw/zinc/83/52/80/1052835280.db2.gz DEJMGONAKKFKRD-INMHGKMJSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000623905569 1052835327 /nfs/dbraw/zinc/83/53/27/1052835327.db2.gz DEJMGONAKKFKRD-GFIVTLFCSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000623905569 1052835330 /nfs/dbraw/zinc/83/53/30/1052835330.db2.gz DEJMGONAKKFKRD-GFIVTLFCSA-N 2 2 343.540 4.259 20 0 EIADLP C[N@@H+](CC/C=C/c1ccc(Br)cc1)CCCn1cc[nH+]c1 ZINC000181106952 1052875932 /nfs/dbraw/zinc/87/59/32/1052875932.db2.gz SWCVWRPOELMYHM-GORDUTHDSA-N 2 2 348.288 4.071 20 0 EIADLP C[N@H+](CC/C=C/c1ccc(Br)cc1)CCCn1cc[nH+]c1 ZINC000181106952 1052875933 /nfs/dbraw/zinc/87/59/33/1052875933.db2.gz SWCVWRPOELMYHM-GORDUTHDSA-N 2 2 348.288 4.071 20 0 EIADLP Clc1ccc(SC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182968876 1052958134 /nfs/dbraw/zinc/95/81/34/1052958134.db2.gz KXAVJRRMDSSHKA-UHFFFAOYSA-N 2 2 335.904 4.183 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2o1 ZINC000185687730 1053020185 /nfs/dbraw/zinc/02/01/85/1053020185.db2.gz DHQXAHPTZDNPBA-HRCADAONSA-N 2 2 327.472 4.131 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2o1 ZINC000185687730 1053020189 /nfs/dbraw/zinc/02/01/89/1053020189.db2.gz DHQXAHPTZDNPBA-HRCADAONSA-N 2 2 327.472 4.131 20 0 EIADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539322 1053301505 /nfs/dbraw/zinc/30/15/05/1053301505.db2.gz RWMMHEWYLFWDJW-RBBKRZOGSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539322 1053301521 /nfs/dbraw/zinc/30/15/21/1053301521.db2.gz RWMMHEWYLFWDJW-RBBKRZOGSA-N 2 2 342.527 4.151 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)c(F)c(F)c1 ZINC000765250382 1053476400 /nfs/dbraw/zinc/47/64/00/1053476400.db2.gz LTBXLBATFGCMEN-ABAIWWIYSA-N 2 2 325.378 4.066 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000765247632 1053476619 /nfs/dbraw/zinc/47/66/19/1053476619.db2.gz BKVJGLLWAMKQDK-DOTOQJQBSA-N 2 2 333.476 4.264 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000765251312 1053476676 /nfs/dbraw/zinc/47/66/76/1053476676.db2.gz ONZUNNOSGLMTLX-IEBWSBKVSA-N 2 2 339.483 4.334 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865467045 1053516653 /nfs/dbraw/zinc/51/66/53/1053516653.db2.gz DDXGJFMYDHDLHZ-AWEZNQCLSA-N 2 2 347.865 4.189 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCc2cccnc2)c(C)c1 ZINC000866308250 1053684235 /nfs/dbraw/zinc/68/42/35/1053684235.db2.gz AEFZUINJQAFDNI-DENIHFKCSA-N 2 2 348.494 4.247 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCc2cccnc2)c(C)c1 ZINC000866308256 1053684896 /nfs/dbraw/zinc/68/48/96/1053684896.db2.gz AEFZUINJQAFDNI-UGKGYDQZSA-N 2 2 348.494 4.247 20 0 EIADLP Cc1[nH]c(C2CC[NH+](Cc3nccc(Cl)c3Cl)CC2)[nH+]c1C ZINC001197844275 1054002534 /nfs/dbraw/zinc/00/25/34/1054002534.db2.gz AWPZONBXEKWXDL-UHFFFAOYSA-N 2 2 339.270 4.108 20 0 EIADLP CCC[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633017 1054213594 /nfs/dbraw/zinc/21/35/94/1054213594.db2.gz PEPQOGWTQKJPOK-TZIWHRDSSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633017 1054213611 /nfs/dbraw/zinc/21/36/11/1054213611.db2.gz PEPQOGWTQKJPOK-TZIWHRDSSA-N 2 2 344.543 4.178 20 0 EIADLP COc1cccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001198790452 1054252187 /nfs/dbraw/zinc/25/21/87/1054252187.db2.gz HXCCBCIGJFDMBG-SFHVURJKSA-N 2 2 341.499 4.335 20 0 EIADLP COc1cccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001198790452 1054252208 /nfs/dbraw/zinc/25/22/08/1054252208.db2.gz HXCCBCIGJFDMBG-SFHVURJKSA-N 2 2 341.499 4.335 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC000776968402 1054362453 /nfs/dbraw/zinc/36/24/53/1054362453.db2.gz VRYHHUSKLYJCLF-UHFFFAOYSA-N 2 2 335.495 4.000 20 0 EIADLP Fc1ccc(Cl)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001199239132 1054372405 /nfs/dbraw/zinc/37/24/05/1054372405.db2.gz ZHYIJTQISWWMRU-UHFFFAOYSA-N 2 2 332.850 4.017 20 0 EIADLP Fc1ccc(Cl)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001199239132 1054372406 /nfs/dbraw/zinc/37/24/06/1054372406.db2.gz ZHYIJTQISWWMRU-UHFFFAOYSA-N 2 2 332.850 4.017 20 0 EIADLP Fc1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000858238189 1054445716 /nfs/dbraw/zinc/44/57/16/1054445716.db2.gz RBEHJXFVVPIBOM-HXUWFJFHSA-N 2 2 336.414 4.037 20 0 EIADLP Cc1nc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cs1 ZINC001199896907 1054483794 /nfs/dbraw/zinc/48/37/94/1054483794.db2.gz SSXWSCAXTUPFCI-UHFFFAOYSA-N 2 2 329.513 4.117 20 0 EIADLP CC[N@H+](CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC001199962231 1054504987 /nfs/dbraw/zinc/50/49/87/1054504987.db2.gz FRRIZQAOLXDGFH-UHFFFAOYSA-N 2 2 344.449 4.171 20 0 EIADLP CC[N@@H+](CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC001199962231 1054504998 /nfs/dbraw/zinc/50/49/98/1054504998.db2.gz FRRIZQAOLXDGFH-UHFFFAOYSA-N 2 2 344.449 4.171 20 0 EIADLP C[C@@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)Cn1cc[nH+]c1 ZINC000062254775 1054781273 /nfs/dbraw/zinc/78/12/73/1054781273.db2.gz BIHUQSVJABSFDS-AWEZNQCLSA-N 2 2 345.393 4.064 20 0 EIADLP Cc1cn2cccc(NC3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2[nH+]1 ZINC001201470019 1054807563 /nfs/dbraw/zinc/80/75/63/1054807563.db2.gz JAZAUEJRKVLEKA-UXHICEINSA-N 2 2 344.462 4.375 20 0 EIADLP Cc1cn2cccc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2[nH+]1 ZINC001201470019 1054807567 /nfs/dbraw/zinc/80/75/67/1054807567.db2.gz JAZAUEJRKVLEKA-UXHICEINSA-N 2 2 344.462 4.375 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488803 1054817507 /nfs/dbraw/zinc/81/75/07/1054817507.db2.gz ZVGXRGJHUJJTDH-NNWRFLSQSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488803 1054817515 /nfs/dbraw/zinc/81/75/15/1054817515.db2.gz ZVGXRGJHUJJTDH-NNWRFLSQSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488803 1054817520 /nfs/dbraw/zinc/81/75/20/1054817520.db2.gz ZVGXRGJHUJJTDH-NNWRFLSQSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201488803 1054817524 /nfs/dbraw/zinc/81/75/24/1054817524.db2.gz ZVGXRGJHUJJTDH-NNWRFLSQSA-N 2 2 341.543 4.218 20 0 EIADLP Cn1c[nH+]c2cc(NC3=C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc21 ZINC001201477605 1054829713 /nfs/dbraw/zinc/82/97/13/1054829713.db2.gz IURFNKNLXXRVRA-UXHICEINSA-N 2 2 344.462 4.306 20 0 EIADLP Cn1c[nH+]c2cc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc21 ZINC001201477605 1054829714 /nfs/dbraw/zinc/82/97/14/1054829714.db2.gz IURFNKNLXXRVRA-UXHICEINSA-N 2 2 344.462 4.306 20 0 EIADLP CCC(CC)[C@@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559318 1054849013 /nfs/dbraw/zinc/84/90/13/1054849013.db2.gz XMRICISBDASHHK-NHCUHLMSSA-N 2 2 346.559 4.470 20 0 EIADLP CCC(CC)[C@@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001201559318 1054849019 /nfs/dbraw/zinc/84/90/19/1054849019.db2.gz XMRICISBDASHHK-NHCUHLMSSA-N 2 2 346.559 4.470 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)c(C)c2)c(C)c1 ZINC001201599954 1054854684 /nfs/dbraw/zinc/85/46/84/1054854684.db2.gz DBPPAHUXEDOUDS-OAQYLSRUSA-N 2 2 337.442 4.479 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccns1 ZINC000877659441 1055100847 /nfs/dbraw/zinc/10/08/47/1055100847.db2.gz SCQYPBLABBJNKZ-YXJHDRRASA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccns1 ZINC000877659441 1055100853 /nfs/dbraw/zinc/10/08/53/1055100853.db2.gz SCQYPBLABBJNKZ-YXJHDRRASA-N 2 2 327.497 4.162 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)o1 ZINC000119410323 1055189088 /nfs/dbraw/zinc/18/90/88/1055189088.db2.gz DCKSKIJKEDLFAP-INIZCTEOSA-N 2 2 341.499 4.282 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)Cn1cc[nH+]c1 ZINC000062254353 1056705506 /nfs/dbraw/zinc/70/55/06/1056705506.db2.gz BIQDQWDFXJJCQO-AWEZNQCLSA-N 2 2 329.444 4.177 20 0 EIADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478469 1056809403 /nfs/dbraw/zinc/80/94/03/1056809403.db2.gz BZWAXOPSYGPSKA-LSDHHAIUSA-N 2 2 325.447 4.080 20 0 EIADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478469 1056809411 /nfs/dbraw/zinc/80/94/11/1056809411.db2.gz BZWAXOPSYGPSKA-LSDHHAIUSA-N 2 2 325.447 4.080 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271360 1058311673 /nfs/dbraw/zinc/31/16/73/1058311673.db2.gz DRGNRWHNQMWNDI-ZIAGYGMSSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000766271360 1058311691 /nfs/dbraw/zinc/31/16/91/1058311691.db2.gz DRGNRWHNQMWNDI-ZIAGYGMSSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1Cl ZINC000766307116 1059378827 /nfs/dbraw/zinc/37/88/27/1059378827.db2.gz WEJJJCLJQNXFPB-WMLDXEAASA-N 2 2 340.858 4.103 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169093105 1060633670 /nfs/dbraw/zinc/63/36/70/1060633670.db2.gz FPOIYKSRRCLHPH-ZSOGYDGISA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001169093105 1060633689 /nfs/dbraw/zinc/63/36/89/1060633689.db2.gz FPOIYKSRRCLHPH-ZSOGYDGISA-N 2 2 332.797 4.074 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Br)CCC1)C2 ZINC001169109358 1060657491 /nfs/dbraw/zinc/65/74/91/1060657491.db2.gz BDDOCWRBPMKNDD-QKDCVEJESA-N 2 2 349.316 4.043 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Br)CCC1)C2 ZINC001169109358 1060657497 /nfs/dbraw/zinc/65/74/97/1060657497.db2.gz BDDOCWRBPMKNDD-QKDCVEJESA-N 2 2 349.316 4.043 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144622 1060663836 /nfs/dbraw/zinc/66/38/36/1060663836.db2.gz KTWJXEZBVGZEKT-MLHJIOFPSA-N 2 2 336.932 4.055 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144622 1060663845 /nfs/dbraw/zinc/66/38/45/1060663845.db2.gz KTWJXEZBVGZEKT-MLHJIOFPSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144622 1060663855 /nfs/dbraw/zinc/66/38/55/1060663855.db2.gz KTWJXEZBVGZEKT-MLHJIOFPSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@H]1c1cccc(Cl)c1)C2 ZINC001169144622 1060663860 /nfs/dbraw/zinc/66/38/60/1060663860.db2.gz KTWJXEZBVGZEKT-MLHJIOFPSA-N 2 2 336.932 4.055 20 0 EIADLP Cn1c[nH+]cc1-c1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151251 1060667590 /nfs/dbraw/zinc/66/75/90/1060667590.db2.gz HQFVMHUUVJOHIM-FXAWDEMLSA-N 2 2 326.488 4.043 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153967 1060669874 /nfs/dbraw/zinc/66/98/74/1060669874.db2.gz NFAWNNZKOQBUDC-MUJYYYPQSA-N 2 2 327.299 4.441 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153967 1060669884 /nfs/dbraw/zinc/66/98/84/1060669884.db2.gz NFAWNNZKOQBUDC-MUJYYYPQSA-N 2 2 327.299 4.441 20 0 EIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153967 1060669892 /nfs/dbraw/zinc/66/98/92/1060669892.db2.gz NFAWNNZKOQBUDC-MUJYYYPQSA-N 2 2 327.299 4.441 20 0 EIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153967 1060669905 /nfs/dbraw/zinc/66/99/05/1060669905.db2.gz NFAWNNZKOQBUDC-MUJYYYPQSA-N 2 2 327.299 4.441 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)cccc1OCC ZINC001169225630 1060701840 /nfs/dbraw/zinc/70/18/40/1060701840.db2.gz ONXLJCKOMGRWAB-UHFFFAOYSA-N 2 2 349.906 4.410 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)cccc1OCC ZINC001169225630 1060701857 /nfs/dbraw/zinc/70/18/57/1060701857.db2.gz ONXLJCKOMGRWAB-UHFFFAOYSA-N 2 2 349.906 4.410 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1F ZINC000067977630 527373669 /nfs/dbraw/zinc/37/36/69/527373669.db2.gz FKKQCTQZOWTNKW-CXAGYDPISA-N 2 2 339.414 4.326 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCOc3c(C)cc(C)cc31)CCC2 ZINC000360080471 1032239268 /nfs/dbraw/zinc/23/92/68/1032239268.db2.gz XJGSFRPCACPKDM-IEBWSBKVSA-N 2 2 339.483 4.189 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000245548279 1032302673 /nfs/dbraw/zinc/30/26/73/1032302673.db2.gz YLAHPYSNDAGQFS-HZPDHXFCSA-N 2 2 329.513 4.226 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nccs1 ZINC000245548279 1032302685 /nfs/dbraw/zinc/30/26/85/1032302685.db2.gz YLAHPYSNDAGQFS-HZPDHXFCSA-N 2 2 329.513 4.226 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000173316767 1032356693 /nfs/dbraw/zinc/35/66/93/1032356693.db2.gz ZPCUHLLNELJLNQ-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP Fc1cc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2cc1Cl ZINC000450294631 1032406646 /nfs/dbraw/zinc/40/66/46/1032406646.db2.gz PTBLJYZHNQZWJD-UHFFFAOYSA-N 2 2 330.794 4.134 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1Cl ZINC000177346389 1032502902 /nfs/dbraw/zinc/50/29/02/1032502902.db2.gz BHWMYAFRGIZOMF-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1Cl ZINC000177346389 1032502911 /nfs/dbraw/zinc/50/29/11/1032502911.db2.gz BHWMYAFRGIZOMF-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)c[nH+]1 ZINC000177935827 1032512962 /nfs/dbraw/zinc/51/29/62/1032512962.db2.gz MGJNPHICMUDCNB-JOCHJYFZSA-N 2 2 331.463 4.489 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000177890558 1032523096 /nfs/dbraw/zinc/52/30/96/1032523096.db2.gz AMUAHXAEWGNNNS-FGTMMUONSA-N 2 2 342.483 4.048 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000177890558 1032523108 /nfs/dbraw/zinc/52/31/08/1032523108.db2.gz AMUAHXAEWGNNNS-FGTMMUONSA-N 2 2 342.483 4.048 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)nc1 ZINC000760169828 1032542008 /nfs/dbraw/zinc/54/20/08/1032542008.db2.gz RVBYYUCKZMWPSV-WMLDXEAASA-N 2 2 340.858 4.103 20 0 EIADLP CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000163679949 1032674453 /nfs/dbraw/zinc/67/44/53/1032674453.db2.gz ALOMFHSNBXAENC-JOCHJYFZSA-N 2 2 338.495 4.150 20 0 EIADLP Cc1sccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000339315967 1018780604 /nfs/dbraw/zinc/78/06/04/1018780604.db2.gz MGSQRNODACCIAR-IBGZPJMESA-N 2 2 325.481 4.401 20 0 EIADLP Fc1cc(Cl)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000579776293 1018889076 /nfs/dbraw/zinc/88/90/76/1018889076.db2.gz GJBNCKIINNIACT-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP Cc1cc2ccccc2c(N2CC3(CC[NH2+]CC3)c3ccccc32)[nH+]1 ZINC001167069852 1019396088 /nfs/dbraw/zinc/39/60/88/1019396088.db2.gz HVIFZQFWPBHLJV-UHFFFAOYSA-N 2 2 329.447 4.316 20 0 EIADLP Fc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(Cl)c2)c1 ZINC000179964241 1019994330 /nfs/dbraw/zinc/99/43/30/1019994330.db2.gz YSIDVXZVXNHFTF-IBGZPJMESA-N 2 2 343.833 4.445 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000398139018 1020496099 /nfs/dbraw/zinc/49/60/99/1020496099.db2.gz LVOLEEBYQLCHPR-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000398139018 1020496114 /nfs/dbraw/zinc/49/61/14/1020496114.db2.gz LVOLEEBYQLCHPR-WMLDXEAASA-N 2 2 334.916 4.402 20 0 EIADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000275572622 1020829142 /nfs/dbraw/zinc/82/91/42/1020829142.db2.gz BBBRZQYUQFCKHB-XLIONFOSSA-N 2 2 339.458 4.115 20 0 EIADLP Fc1cccc(Oc2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)c1 ZINC000683471877 1020849094 /nfs/dbraw/zinc/84/90/94/1020849094.db2.gz QTTNBFOVZZTXLX-UHFFFAOYSA-N 2 2 339.414 4.385 20 0 EIADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000655700633 1020903269 /nfs/dbraw/zinc/90/32/69/1020903269.db2.gz KEENZHBEQPRGNC-VXKWHMMOSA-N 2 2 342.527 4.151 20 0 EIADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655708738 1020907292 /nfs/dbraw/zinc/90/72/92/1020907292.db2.gz NJNWMHHSUJBTEZ-VQIMIIECSA-N 2 2 348.556 4.091 20 0 EIADLP COCCC1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000275658337 1021071817 /nfs/dbraw/zinc/07/18/17/1021071817.db2.gz XFYSIBXBMKMKOQ-UHFFFAOYSA-N 2 2 341.499 4.008 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000685834251 1021649929 /nfs/dbraw/zinc/64/99/29/1021649929.db2.gz AYBZTFTUUDPHBD-UKYUDJEDSA-N 2 2 347.409 4.294 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000685834251 1021649940 /nfs/dbraw/zinc/64/99/40/1021649940.db2.gz AYBZTFTUUDPHBD-UKYUDJEDSA-N 2 2 347.409 4.294 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177806001 1021712284 /nfs/dbraw/zinc/71/22/84/1021712284.db2.gz VLSRRVJJOSYYCJ-HXUWFJFHSA-N 2 2 333.435 4.184 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000580258778 1021807724 /nfs/dbraw/zinc/80/77/24/1021807724.db2.gz JIWFTUOZXFJJFR-DENIHFKCSA-N 2 2 331.463 4.357 20 0 EIADLP Cc1ccc(SC[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000471598027 1022238604 /nfs/dbraw/zinc/23/86/04/1022238604.db2.gz IILZFFINEOVTJF-KRWDZBQOSA-N 2 2 341.524 4.129 20 0 EIADLP Cc1ccc(Br)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000414245246 1022304555 /nfs/dbraw/zinc/30/45/55/1022304555.db2.gz ACCSAFNYCXKHLQ-UHFFFAOYSA-N 2 2 339.321 4.110 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000182089562 1022305903 /nfs/dbraw/zinc/30/59/03/1022305903.db2.gz UMPAQZXMELRZEX-KRWDZBQOSA-N 2 2 335.451 4.135 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000182089562 1022305922 /nfs/dbraw/zinc/30/59/22/1022305922.db2.gz UMPAQZXMELRZEX-KRWDZBQOSA-N 2 2 335.451 4.135 20 0 EIADLP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)o1 ZINC000047973066 1022308281 /nfs/dbraw/zinc/30/82/81/1022308281.db2.gz VDNXWSXKXWEUPJ-UHFFFAOYSA-N 2 2 345.512 4.019 20 0 EIADLP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000684022017 1022366321 /nfs/dbraw/zinc/36/63/21/1022366321.db2.gz BYZBEZWZBCWUQJ-GOSISDBHSA-N 2 2 325.500 4.256 20 0 EIADLP c1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000684022017 1022366338 /nfs/dbraw/zinc/36/63/38/1022366338.db2.gz BYZBEZWZBCWUQJ-GOSISDBHSA-N 2 2 325.500 4.256 20 0 EIADLP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378389940 1022783813 /nfs/dbraw/zinc/78/38/13/1022783813.db2.gz BFWWKEGMRKPNMR-UCNVEGJOSA-N 2 2 347.462 4.301 20 0 EIADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000376476596 1022800230 /nfs/dbraw/zinc/80/02/30/1022800230.db2.gz IIDFFTZKMSQTNA-OXJNMPFZSA-N 2 2 344.524 4.078 20 0 EIADLP COc1c(C)cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000367617995 1022818781 /nfs/dbraw/zinc/81/87/81/1022818781.db2.gz OCVYYSUXJMLCQW-CQSZACIVSA-N 2 2 347.890 4.083 20 0 EIADLP c1nc(C[NH2+]CCCCNc2cccc[nH+]2)sc1-c1ccccc1 ZINC000092388047 1022821244 /nfs/dbraw/zinc/82/12/44/1022821244.db2.gz XQCCRJAHKREWPB-UHFFFAOYSA-N 2 2 338.480 4.187 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnoc2C2CC2)cc1F ZINC000378466251 1022831762 /nfs/dbraw/zinc/83/17/62/1022831762.db2.gz ZVMSYNZUCMYGMK-GFCCVEGCSA-N 2 2 340.402 4.036 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000311258304 1023056299 /nfs/dbraw/zinc/05/62/99/1023056299.db2.gz VMBGRFWJQQCYMV-IBGZPJMESA-N 2 2 348.494 4.045 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000311258304 1023056305 /nfs/dbraw/zinc/05/63/05/1023056305.db2.gz VMBGRFWJQQCYMV-IBGZPJMESA-N 2 2 348.494 4.045 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1(c2ccccc2)CCCC1 ZINC000472633613 1023178539 /nfs/dbraw/zinc/17/85/39/1023178539.db2.gz TXEYLRKJGCDAMG-SFHVURJKSA-N 2 2 337.511 4.252 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000417307130 1023256319 /nfs/dbraw/zinc/25/63/19/1023256319.db2.gz FFOYKMNVHYYCRJ-DBVUQKKJSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)oc2cc1C ZINC000376966250 1023343611 /nfs/dbraw/zinc/34/36/11/1023343611.db2.gz FLQFOBILAKKCNW-AVRDEDQJSA-N 2 2 349.478 4.227 20 0 EIADLP Cc1cc2cc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)oc2cc1C ZINC000376966250 1023343619 /nfs/dbraw/zinc/34/36/19/1023343619.db2.gz FLQFOBILAKKCNW-AVRDEDQJSA-N 2 2 349.478 4.227 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000549167903 1023411130 /nfs/dbraw/zinc/41/11/30/1023411130.db2.gz XUGZIVBRIWFBLC-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000549167903 1023411131 /nfs/dbraw/zinc/41/11/31/1023411131.db2.gz XUGZIVBRIWFBLC-IBGZPJMESA-N 2 2 343.902 4.125 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167754053 1023635915 /nfs/dbraw/zinc/63/59/15/1023635915.db2.gz UEHSRZWKDCQZSR-GFCCVEGCSA-N 2 2 340.393 4.258 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167754053 1023635922 /nfs/dbraw/zinc/63/59/22/1023635922.db2.gz UEHSRZWKDCQZSR-GFCCVEGCSA-N 2 2 340.393 4.258 20 0 EIADLP CC(C)c1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000364353165 1023666991 /nfs/dbraw/zinc/66/69/91/1023666991.db2.gz HXWTZNJXZUANIO-ZDUSSCGKSA-N 2 2 349.276 4.006 20 0 EIADLP CC[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377688603 1023688443 /nfs/dbraw/zinc/68/84/43/1023688443.db2.gz ACOOSTXBSHGQQG-WMQCIHAUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377688603 1023688448 /nfs/dbraw/zinc/68/84/48/1023688448.db2.gz ACOOSTXBSHGQQG-WMQCIHAUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377688603 1023688450 /nfs/dbraw/zinc/68/84/50/1023688450.db2.gz ACOOSTXBSHGQQG-WMQCIHAUSA-N 2 2 341.474 4.297 20 0 EIADLP CC[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377688603 1023688453 /nfs/dbraw/zinc/68/84/53/1023688453.db2.gz ACOOSTXBSHGQQG-WMQCIHAUSA-N 2 2 341.474 4.297 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)c(Br)s2)CC1 ZINC000510467743 1023763131 /nfs/dbraw/zinc/76/31/31/1023763131.db2.gz RBKFUVDEOAUOJU-UHFFFAOYSA-N 2 2 345.350 4.125 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(Br)s2)CC1 ZINC000510467743 1023763137 /nfs/dbraw/zinc/76/31/37/1023763137.db2.gz RBKFUVDEOAUOJU-UHFFFAOYSA-N 2 2 345.350 4.125 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000364449296 1023783739 /nfs/dbraw/zinc/78/37/39/1023783739.db2.gz WBAMXNBYLXKPTK-APWZRJJASA-N 2 2 347.865 4.047 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000364449296 1023783743 /nfs/dbraw/zinc/78/37/43/1023783743.db2.gz WBAMXNBYLXKPTK-APWZRJJASA-N 2 2 347.865 4.047 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2ccc(O)cc2)c(C)c1 ZINC000511715459 1023841225 /nfs/dbraw/zinc/84/12/25/1023841225.db2.gz ZEYFGVAQZMYGNX-XMSQKQJNSA-N 2 2 349.478 4.168 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000581934596 1023905551 /nfs/dbraw/zinc/90/55/51/1023905551.db2.gz ZFOVXGOVFPKUFJ-KNQAVFIVSA-N 2 2 331.463 4.160 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000581934596 1023905566 /nfs/dbraw/zinc/90/55/66/1023905566.db2.gz ZFOVXGOVFPKUFJ-KNQAVFIVSA-N 2 2 331.463 4.160 20 0 EIADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000548362449 1023925507 /nfs/dbraw/zinc/92/55/07/1023925507.db2.gz JFAPJBRXHASUHB-UHFFFAOYSA-N 2 2 331.769 4.125 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2cnccc2o1 ZINC000651795505 1024034838 /nfs/dbraw/zinc/03/48/38/1024034838.db2.gz BUHKBXYITGJSKO-NRFANRHFSA-N 2 2 349.478 4.218 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2cnccc2o1 ZINC000651795505 1024034850 /nfs/dbraw/zinc/03/48/50/1024034850.db2.gz BUHKBXYITGJSKO-NRFANRHFSA-N 2 2 349.478 4.218 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccccc2)cn1 ZINC000651676161 1024171464 /nfs/dbraw/zinc/17/14/64/1024171464.db2.gz QJSBWANLUFSALU-KRWDZBQOSA-N 2 2 346.478 4.175 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510736758 1024378265 /nfs/dbraw/zinc/37/82/65/1024378265.db2.gz RFGWTPIKFYZAIN-CZAAIQMYSA-N 2 2 326.459 4.296 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510736758 1024378276 /nfs/dbraw/zinc/37/82/76/1024378276.db2.gz RFGWTPIKFYZAIN-CZAAIQMYSA-N 2 2 326.459 4.296 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000092165693 1024745495 /nfs/dbraw/zinc/74/54/95/1024745495.db2.gz ROODPBRJKOSRRI-UHFFFAOYSA-N 2 2 335.542 4.178 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000092165693 1024745518 /nfs/dbraw/zinc/74/55/18/1024745518.db2.gz ROODPBRJKOSRRI-UHFFFAOYSA-N 2 2 335.542 4.178 20 0 EIADLP C[C@H](Cc1ccccc1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000662157222 1024890756 /nfs/dbraw/zinc/89/07/56/1024890756.db2.gz UTXBKGJBYDWDFR-LJQANCHMSA-N 2 2 333.479 4.096 20 0 EIADLP C[C@H](Cc1ccccc1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000662157222 1024890761 /nfs/dbraw/zinc/89/07/61/1024890761.db2.gz UTXBKGJBYDWDFR-LJQANCHMSA-N 2 2 333.479 4.096 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000121342581 1025198931 /nfs/dbraw/zinc/19/89/31/1025198931.db2.gz VLSBNJPHEJVUPA-AWEZNQCLSA-N 2 2 349.400 4.420 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000121354466 1025204664 /nfs/dbraw/zinc/20/46/64/1025204664.db2.gz CWXHABOUIBJFGG-CQSZACIVSA-N 2 2 349.400 4.420 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000121354316 1025206181 /nfs/dbraw/zinc/20/61/81/1025206181.db2.gz CWXHABOUIBJFGG-AWEZNQCLSA-N 2 2 349.400 4.420 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028196 1025684602 /nfs/dbraw/zinc/68/46/02/1025684602.db2.gz GDNCEVHWDPXRSR-OWYHZJEWSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028196 1025684610 /nfs/dbraw/zinc/68/46/10/1025684610.db2.gz GDNCEVHWDPXRSR-OWYHZJEWSA-N 2 2 339.458 4.067 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000343969905 1025691293 /nfs/dbraw/zinc/69/12/93/1025691293.db2.gz CRMFZZTZICVTTB-DZGCQCFKSA-N 2 2 337.389 4.439 20 0 EIADLP Cc1c(C)c(C)c(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1C ZINC000512047019 1025842199 /nfs/dbraw/zinc/84/21/99/1025842199.db2.gz XFMJMDOBWMZZOW-UHFFFAOYSA-N 2 2 331.529 4.037 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432410831 1025879652 /nfs/dbraw/zinc/87/96/52/1025879652.db2.gz SBJUUKBUTORKOC-MSOLQXFVSA-N 2 2 344.499 4.201 20 0 EIADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc2cc1C ZINC000432410831 1025879658 /nfs/dbraw/zinc/87/96/58/1025879658.db2.gz SBJUUKBUTORKOC-MSOLQXFVSA-N 2 2 344.499 4.201 20 0 EIADLP CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000166966734 1025893328 /nfs/dbraw/zinc/89/33/28/1025893328.db2.gz FARDUMJFTHWVNB-CQSZACIVSA-N 2 2 338.455 4.144 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422846 1025905925 /nfs/dbraw/zinc/90/59/25/1025905925.db2.gz VLHAPQPCYOYUDF-ROUUACIJSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422846 1025905952 /nfs/dbraw/zinc/90/59/52/1025905952.db2.gz VLHAPQPCYOYUDF-ROUUACIJSA-N 2 2 342.483 4.098 20 0 EIADLP CCC(CC)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000512109870 1026023432 /nfs/dbraw/zinc/02/34/32/1026023432.db2.gz XPKJEZOJBNNXOQ-LJQANCHMSA-N 2 2 331.529 4.472 20 0 EIADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1F ZINC000192685034 1026053931 /nfs/dbraw/zinc/05/39/31/1026053931.db2.gz CEIKVAKJYHYDNZ-INIZCTEOSA-N 2 2 342.458 4.150 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344158780 1026079150 /nfs/dbraw/zinc/07/91/50/1026079150.db2.gz CRVZLCMHCHIFHQ-NRFANRHFSA-N 2 2 344.543 4.397 20 0 EIADLP CC[C@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nc(C)cs1 ZINC000344239201 1026171702 /nfs/dbraw/zinc/17/17/02/1026171702.db2.gz YCRHJPZYFRKNRA-INIZCTEOSA-N 2 2 332.498 4.114 20 0 EIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000582102806 1026175171 /nfs/dbraw/zinc/17/51/71/1026175171.db2.gz AUFPRUAWOCPQTQ-UHFFFAOYSA-N 2 2 345.874 4.107 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303727066 1026187671 /nfs/dbraw/zinc/18/76/71/1026187671.db2.gz CKXIIJDWCCTTQV-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303727066 1026187686 /nfs/dbraw/zinc/18/76/86/1026187686.db2.gz CKXIIJDWCCTTQV-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727066 1026187694 /nfs/dbraw/zinc/18/76/94/1026187694.db2.gz CKXIIJDWCCTTQV-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727066 1026187707 /nfs/dbraw/zinc/18/77/07/1026187707.db2.gz CKXIIJDWCCTTQV-UWJYYQICSA-N 2 2 326.459 4.311 20 0 EIADLP CC[N@H+](CCCc1ccsc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543960531 1026226319 /nfs/dbraw/zinc/22/63/19/1026226319.db2.gz DMRDIKPNQIHBMC-UHFFFAOYSA-N 2 2 343.540 4.314 20 0 EIADLP CC[N@@H+](CCCc1ccsc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543960531 1026226337 /nfs/dbraw/zinc/22/63/37/1026226337.db2.gz DMRDIKPNQIHBMC-UHFFFAOYSA-N 2 2 343.540 4.314 20 0 EIADLP c1ccc(NCCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[nH+]c1 ZINC000162893515 1026325255 /nfs/dbraw/zinc/32/52/55/1026325255.db2.gz GSECRGNMRUGHNE-SFHVURJKSA-N 2 2 337.467 4.310 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582210747 1026330487 /nfs/dbraw/zinc/33/04/87/1026330487.db2.gz GUSOSAKRHCVPPA-LPHOPBHVSA-N 2 2 337.492 4.211 20 0 EIADLP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)[nH]c2c1 ZINC000657413118 1026562284 /nfs/dbraw/zinc/56/22/84/1026562284.db2.gz TVFIMPUPLKDMCL-QGZVFWFLSA-N 2 2 348.494 4.187 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cccc2cnccc21)c1ccccc1 ZINC000236896026 1026810781 /nfs/dbraw/zinc/81/07/81/1026810781.db2.gz OJHLVFLHYVSBLB-JOCHJYFZSA-N 2 2 333.479 4.408 20 0 EIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152743012 1026835971 /nfs/dbraw/zinc/83/59/71/1026835971.db2.gz PTJBDVLOXNCYRU-CQSZACIVSA-N 2 2 349.425 4.023 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(-c2ccncc2)c1 ZINC000152835499 1026853337 /nfs/dbraw/zinc/85/33/37/1026853337.db2.gz PXTJSPPRPNEVTN-QGZVFWFLSA-N 2 2 346.478 4.175 20 0 EIADLP CC(C)C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000474473145 1027099092 /nfs/dbraw/zinc/09/90/92/1027099092.db2.gz PTEJYXFAUHYLBP-HXUWFJFHSA-N 2 2 337.511 4.470 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000474608493 1027296120 /nfs/dbraw/zinc/29/61/20/1027296120.db2.gz RVRBFSFLXYTKGP-CQSZACIVSA-N 2 2 337.920 4.463 20 0 EIADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2c(Br)cccc12 ZINC000078333270 1027320082 /nfs/dbraw/zinc/32/00/82/1027320082.db2.gz KBQMFSXAZINHTH-UHFFFAOYSA-N 2 2 345.244 4.004 20 0 EIADLP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)o2)cc1 ZINC000520217071 1027327399 /nfs/dbraw/zinc/32/73/99/1027327399.db2.gz FOAYJZQNDYDDBD-UHFFFAOYSA-N 2 2 328.431 4.192 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276883 1027371507 /nfs/dbraw/zinc/37/15/07/1027371507.db2.gz ZMIYKHRTDSAZCM-DWIQEWEKSA-N 2 2 336.479 4.324 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000453276883 1027371526 /nfs/dbraw/zinc/37/15/26/1027371526.db2.gz ZMIYKHRTDSAZCM-DWIQEWEKSA-N 2 2 336.479 4.324 20 0 EIADLP Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000346079679 1027375723 /nfs/dbraw/zinc/37/57/23/1027375723.db2.gz QOTXAJLEKSTQEJ-INIZCTEOSA-N 2 2 339.389 4.140 20 0 EIADLP Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000346079679 1027375741 /nfs/dbraw/zinc/37/57/41/1027375741.db2.gz QOTXAJLEKSTQEJ-INIZCTEOSA-N 2 2 339.389 4.140 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000453287020 1027383303 /nfs/dbraw/zinc/38/33/03/1027383303.db2.gz NRORKKOLGKXAGO-IAGOWNOFSA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000453287020 1027383308 /nfs/dbraw/zinc/38/33/08/1027383308.db2.gz NRORKKOLGKXAGO-IAGOWNOFSA-N 2 2 349.400 4.026 20 0 EIADLP CC(C)C[C@H](C)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000520288351 1027393935 /nfs/dbraw/zinc/39/39/35/1027393935.db2.gz MVPAAPQYMKFQNA-RBUKOAKNSA-N 2 2 332.532 4.158 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3c(C)nsc3C)C2)s1 ZINC000566416876 1027753442 /nfs/dbraw/zinc/75/34/42/1027753442.db2.gz KZTGKRBBUGGEFP-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3c(C)nsc3C)C2)s1 ZINC000566416876 1027753453 /nfs/dbraw/zinc/75/34/53/1027753453.db2.gz KZTGKRBBUGGEFP-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3c(C)nsc3C)C2)s1 ZINC000566416876 1027753472 /nfs/dbraw/zinc/75/34/72/1027753472.db2.gz KZTGKRBBUGGEFP-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3c(C)nsc3C)C2)s1 ZINC000566416876 1027753483 /nfs/dbraw/zinc/75/34/83/1027753483.db2.gz KZTGKRBBUGGEFP-MRXNPFEDSA-N 2 2 349.569 4.084 20 0 EIADLP CC(C)[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922201 1027800612 /nfs/dbraw/zinc/80/06/12/1027800612.db2.gz GJVIIDWVOUUBHL-QUCCMNQESA-N 2 2 325.500 4.114 20 0 EIADLP CC(C)[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922201 1027800619 /nfs/dbraw/zinc/80/06/19/1027800619.db2.gz GJVIIDWVOUUBHL-QUCCMNQESA-N 2 2 325.500 4.114 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921570 1027802338 /nfs/dbraw/zinc/80/23/38/1027802338.db2.gz DAXZWKCQAKUHSH-OXQOHEQNSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921570 1027802345 /nfs/dbraw/zinc/80/23/45/1027802345.db2.gz DAXZWKCQAKUHSH-OXQOHEQNSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000443800423 1027894385 /nfs/dbraw/zinc/89/43/85/1027894385.db2.gz LWAIYMKINIIWMC-QWFCFKBJSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000443800423 1027894387 /nfs/dbraw/zinc/89/43/87/1027894387.db2.gz LWAIYMKINIIWMC-QWFCFKBJSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168046625 1028100276 /nfs/dbraw/zinc/10/02/76/1028100276.db2.gz OSCJUPNHWQIQDC-IRCVMFFPSA-N 2 2 348.481 4.405 20 0 EIADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046625 1028100293 /nfs/dbraw/zinc/10/02/93/1028100293.db2.gz OSCJUPNHWQIQDC-IRCVMFFPSA-N 2 2 348.481 4.405 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046625 1028100309 /nfs/dbraw/zinc/10/03/09/1028100309.db2.gz OSCJUPNHWQIQDC-IRCVMFFPSA-N 2 2 348.481 4.405 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046625 1028100316 /nfs/dbraw/zinc/10/03/16/1028100316.db2.gz OSCJUPNHWQIQDC-IRCVMFFPSA-N 2 2 348.481 4.405 20 0 EIADLP COc1ccc([C@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346132308 1028272184 /nfs/dbraw/zinc/27/21/84/1028272184.db2.gz LCAUOUKKJYNLKK-AWEZNQCLSA-N 2 2 327.453 4.135 20 0 EIADLP COc1ccc([C@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346132308 1028272199 /nfs/dbraw/zinc/27/21/99/1028272199.db2.gz LCAUOUKKJYNLKK-AWEZNQCLSA-N 2 2 327.453 4.135 20 0 EIADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1ccccc1 ZINC000346137971 1028274952 /nfs/dbraw/zinc/27/49/52/1028274952.db2.gz JMUAHVUMDRKABG-MRXNPFEDSA-N 2 2 341.480 4.143 20 0 EIADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1ccccc1 ZINC000346137971 1028274967 /nfs/dbraw/zinc/27/49/67/1028274967.db2.gz JMUAHVUMDRKABG-MRXNPFEDSA-N 2 2 341.480 4.143 20 0 EIADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1ccccc1 ZINC000346137958 1028276093 /nfs/dbraw/zinc/27/60/93/1028276093.db2.gz JMUAHVUMDRKABG-INIZCTEOSA-N 2 2 341.480 4.143 20 0 EIADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1ccccc1 ZINC000346137958 1028276112 /nfs/dbraw/zinc/27/61/12/1028276112.db2.gz JMUAHVUMDRKABG-INIZCTEOSA-N 2 2 341.480 4.143 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000346152799 1028287354 /nfs/dbraw/zinc/28/73/54/1028287354.db2.gz CPIYUCGFOZVTIX-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000346152799 1028287380 /nfs/dbraw/zinc/28/73/80/1028287380.db2.gz CPIYUCGFOZVTIX-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP c1coc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CCCC2)c1 ZINC000346174059 1028303020 /nfs/dbraw/zinc/30/30/20/1028303020.db2.gz NHIIUJMPKPUMPS-UHFFFAOYSA-N 2 2 327.453 4.472 20 0 EIADLP c1coc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CCCC2)c1 ZINC000346174059 1028303035 /nfs/dbraw/zinc/30/30/35/1028303035.db2.gz NHIIUJMPKPUMPS-UHFFFAOYSA-N 2 2 327.453 4.472 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263031 1028375311 /nfs/dbraw/zinc/37/53/11/1028375311.db2.gz YQTXPSFENSWQPT-SJLPKXTDSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263031 1028375330 /nfs/dbraw/zinc/37/53/30/1028375330.db2.gz YQTXPSFENSWQPT-SJLPKXTDSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000281414869 1028605606 /nfs/dbraw/zinc/60/56/06/1028605606.db2.gz ZMFKLMVHBYVTIT-RTBURBONSA-N 2 2 338.499 4.293 20 0 EIADLP Fc1ccccc1C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000564515711 1028673463 /nfs/dbraw/zinc/67/34/63/1028673463.db2.gz LCLRBRUIFUCYHD-OAQYLSRUSA-N 2 2 337.442 4.376 20 0 EIADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000367245083 1028870113 /nfs/dbraw/zinc/87/01/13/1028870113.db2.gz DTVDSVQQVRXWPQ-DYESRHJHSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347160478 1028896076 /nfs/dbraw/zinc/89/60/76/1028896076.db2.gz GMDJFXUSKHJMHD-IERDGZPVSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347160478 1028896078 /nfs/dbraw/zinc/89/60/78/1028896078.db2.gz GMDJFXUSKHJMHD-IERDGZPVSA-N 2 2 332.451 4.159 20 0 EIADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173798 1028918862 /nfs/dbraw/zinc/91/88/62/1028918862.db2.gz ZPULPEWVKIZIIM-NVXWUHKLSA-N 2 2 329.513 4.093 20 0 EIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1 ZINC000320509647 1029214892 /nfs/dbraw/zinc/21/48/92/1029214892.db2.gz VZMOOSUEEXTRML-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(Cl)n1 ZINC000320509647 1029214909 /nfs/dbraw/zinc/21/49/09/1029214909.db2.gz VZMOOSUEEXTRML-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056819 1029311544 /nfs/dbraw/zinc/31/15/44/1029311544.db2.gz ITDSZQIWIRWWHC-WOJBJXKFSA-N 3 2 345.575 4.092 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056819 1029311567 /nfs/dbraw/zinc/31/15/67/1029311567.db2.gz ITDSZQIWIRWWHC-WOJBJXKFSA-N 3 2 345.575 4.092 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000151335964 1029482269 /nfs/dbraw/zinc/48/22/69/1029482269.db2.gz BFHQTLCEKSKUAQ-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000151335891 1029483331 /nfs/dbraw/zinc/48/33/31/1029483331.db2.gz BFHQTLCEKSKUAQ-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP CCCCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000525181622 1029499320 /nfs/dbraw/zinc/49/93/20/1029499320.db2.gz AFAZCUZSLHQPRI-LJQANCHMSA-N 2 2 341.499 4.428 20 0 EIADLP Fc1ccc([C@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000475336294 1029550268 /nfs/dbraw/zinc/55/02/68/1029550268.db2.gz NWORIRVQQKGLCH-AZUAARDMSA-N 2 2 335.426 4.437 20 0 EIADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000475337106 1029551115 /nfs/dbraw/zinc/55/11/15/1029551115.db2.gz PNVGRKGYBKTOBW-WBVHZDCISA-N 2 2 341.455 4.499 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000475345425 1029560067 /nfs/dbraw/zinc/56/00/67/1029560067.db2.gz APOQYJULWJSIOR-WICCELJUSA-N 2 2 332.454 4.206 20 0 EIADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccn1 ZINC000158793609 1029589848 /nfs/dbraw/zinc/58/98/48/1029589848.db2.gz HEKJPAIMSOUEGF-GOSISDBHSA-N 2 2 338.430 4.346 20 0 EIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)C1 ZINC000446907878 1029636754 /nfs/dbraw/zinc/63/67/54/1029636754.db2.gz ZTIILTKKCJQGQA-LAUBAEHRSA-N 2 2 341.543 4.093 20 0 EIADLP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192915466 1029647029 /nfs/dbraw/zinc/64/70/29/1029647029.db2.gz ZGXSYWPWKYSWSJ-MRXNPFEDSA-N 2 2 330.435 4.247 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000657833385 1029659639 /nfs/dbraw/zinc/65/96/39/1029659639.db2.gz FRMMYELSINSMQD-NWDGAFQWSA-N 2 2 345.796 4.165 20 0 EIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000657833386 1029659986 /nfs/dbraw/zinc/65/99/86/1029659986.db2.gz FRMMYELSINSMQD-RYUDHWBXSA-N 2 2 345.796 4.165 20 0 EIADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000301101314 1029668757 /nfs/dbraw/zinc/66/87/57/1029668757.db2.gz QNXKQTYAVRDJIF-UHFFFAOYSA-N 2 2 342.462 4.124 20 0 EIADLP Cc1ccc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)ccc2n1 ZINC000447091739 1029686403 /nfs/dbraw/zinc/68/64/03/1029686403.db2.gz USFQHDRAURKOFO-UHFFFAOYSA-N 2 2 347.462 4.290 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657837864 1029712576 /nfs/dbraw/zinc/71/25/76/1029712576.db2.gz WNQIWVQGRGXEID-GOSISDBHSA-N 2 2 343.902 4.315 20 0 EIADLP Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080961428 1029766317 /nfs/dbraw/zinc/76/63/17/1029766317.db2.gz NFLOMWRETOOKQK-CQSZACIVSA-N 2 2 342.830 4.098 20 0 EIADLP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080961428 1029766329 /nfs/dbraw/zinc/76/63/29/1029766329.db2.gz NFLOMWRETOOKQK-CQSZACIVSA-N 2 2 342.830 4.098 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667898 1029868616 /nfs/dbraw/zinc/86/86/16/1029868616.db2.gz UKLCDZPPUWZODU-HZPDHXFCSA-N 2 2 329.513 4.328 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000183152699 1029990581 /nfs/dbraw/zinc/99/05/81/1029990581.db2.gz WSLWQZBKRRCNFO-LLVKDONJSA-N 2 2 332.860 4.141 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575744 1030199855 /nfs/dbraw/zinc/19/98/55/1030199855.db2.gz ZFWJJBZVMKUHAJ-GQIGUUNPSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447575744 1030199866 /nfs/dbraw/zinc/19/98/66/1030199866.db2.gz ZFWJJBZVMKUHAJ-GQIGUUNPSA-N 2 2 338.499 4.027 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530221410 1030216659 /nfs/dbraw/zinc/21/66/59/1030216659.db2.gz PZNUQAOUAIWOHT-CJNGLKHVSA-N 2 2 327.497 4.054 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000188719046 1030406849 /nfs/dbraw/zinc/40/68/49/1030406849.db2.gz IRBRCNIULXZLTJ-UHFFFAOYSA-N 2 2 326.406 4.070 20 0 EIADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648456802 1030503707 /nfs/dbraw/zinc/50/37/07/1030503707.db2.gz RZINFFGAJAOOLI-HOTGVXAUSA-N 2 2 341.499 4.038 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000685629643 1030592623 /nfs/dbraw/zinc/59/26/23/1030592623.db2.gz BKAIVFATDTUSQS-QMMMGPOBSA-N 2 2 330.646 4.017 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000685662178 1030660741 /nfs/dbraw/zinc/66/07/41/1030660741.db2.gz WKQOHABCESQQLN-CABCVRRESA-N 2 2 337.389 4.417 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657980205 1030733750 /nfs/dbraw/zinc/73/37/50/1030733750.db2.gz LRKUFIVNMYEGJO-ZVZYQTTQSA-N 2 2 329.875 4.167 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000093644177 1030741182 /nfs/dbraw/zinc/74/11/82/1030741182.db2.gz KJHJAGJMJGFZQR-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000093644177 1030741191 /nfs/dbraw/zinc/74/11/91/1030741191.db2.gz KJHJAGJMJGFZQR-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644177 1030741213 /nfs/dbraw/zinc/74/12/13/1030741213.db2.gz KJHJAGJMJGFZQR-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3c(F)cccc3F)o2)CC[NH+]1C ZINC000093644177 1030741231 /nfs/dbraw/zinc/74/12/31/1030741231.db2.gz KJHJAGJMJGFZQR-ZIAGYGMSSA-N 2 2 334.410 4.139 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020525 1030780377 /nfs/dbraw/zinc/78/03/77/1030780377.db2.gz VTHMGZFNSBZTME-QRTARXTBSA-N 2 2 329.875 4.236 20 0 EIADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000527670344 1030806653 /nfs/dbraw/zinc/80/66/53/1030806653.db2.gz NNIRFBYLFDHATN-UHFFFAOYSA-N 2 2 332.435 4.264 20 0 EIADLP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)[C@H]21 ZINC000527746903 1030841360 /nfs/dbraw/zinc/84/13/60/1030841360.db2.gz ASLZYRATDJNBCS-KSZLIROESA-N 2 2 341.867 4.015 20 0 EIADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC000527750967 1030843314 /nfs/dbraw/zinc/84/33/14/1030843314.db2.gz CVWDJLFUGVCPSN-YFVAEKQCSA-N 2 2 327.516 4.104 20 0 EIADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC000527750967 1030843319 /nfs/dbraw/zinc/84/33/19/1030843319.db2.gz CVWDJLFUGVCPSN-YFVAEKQCSA-N 2 2 327.516 4.104 20 0 EIADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000527852924 1030878142 /nfs/dbraw/zinc/87/81/42/1030878142.db2.gz SNINWFPIULCYTP-GOSISDBHSA-N 2 2 345.849 4.120 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000658338267 1031004495 /nfs/dbraw/zinc/00/44/95/1031004495.db2.gz KDHRKCGVUXAWBT-YSZBQJHXSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000658338267 1031004513 /nfs/dbraw/zinc/00/45/13/1031004513.db2.gz KDHRKCGVUXAWBT-YSZBQJHXSA-N 2 2 349.522 4.268 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421840424 1031035580 /nfs/dbraw/zinc/03/55/80/1031035580.db2.gz ZBOFTRMWXUKRCM-YLJYHZDGSA-N 2 2 337.511 4.048 20 0 EIADLP C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532448166 1031077324 /nfs/dbraw/zinc/07/73/24/1031077324.db2.gz SJQNLCLADFSNJH-ZWOKBUDYSA-N 2 2 327.472 4.118 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000532451616 1031085560 /nfs/dbraw/zinc/08/55/60/1031085560.db2.gz DPDZYDMZNJSTIH-LBPRGKRZSA-N 2 2 345.350 4.282 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC2(CO1)CCCCC2 ZINC001168207785 1031267324 /nfs/dbraw/zinc/26/73/24/1031267324.db2.gz DWZPCGFWUJVFFD-HXUWFJFHSA-N 2 2 344.543 4.226 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC2(CO1)CCCCC2 ZINC001168207785 1031267340 /nfs/dbraw/zinc/26/73/40/1031267340.db2.gz DWZPCGFWUJVFFD-HXUWFJFHSA-N 2 2 344.543 4.226 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000375837677 1031325983 /nfs/dbraw/zinc/32/59/83/1031325983.db2.gz HJBIOGBKLMMVLE-TXPKVOOTSA-N 2 2 329.513 4.185 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000375837677 1031325994 /nfs/dbraw/zinc/32/59/94/1031325994.db2.gz HJBIOGBKLMMVLE-TXPKVOOTSA-N 2 2 329.513 4.185 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449007481 1031354712 /nfs/dbraw/zinc/35/47/12/1031354712.db2.gz DLRSAYRUQKYFQU-UHFFFAOYSA-N 2 2 347.503 4.254 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449007481 1031354724 /nfs/dbraw/zinc/35/47/24/1031354724.db2.gz DLRSAYRUQKYFQU-UHFFFAOYSA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026060 1031362243 /nfs/dbraw/zinc/36/22/43/1031362243.db2.gz DUXJEBKHWIZCFF-HUUCEWRRSA-N 2 2 347.503 4.254 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026060 1031362257 /nfs/dbraw/zinc/36/22/57/1031362257.db2.gz DUXJEBKHWIZCFF-HUUCEWRRSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026060 1031362269 /nfs/dbraw/zinc/36/22/69/1031362269.db2.gz DUXJEBKHWIZCFF-HUUCEWRRSA-N 2 2 347.503 4.254 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)C[C@H]1C ZINC000449026060 1031362279 /nfs/dbraw/zinc/36/22/79/1031362279.db2.gz DUXJEBKHWIZCFF-HUUCEWRRSA-N 2 2 347.503 4.254 20 0 EIADLP c1cn(-c2cccc(C[NH2+]C3CCC(OC4CCCC4)CC3)c2)c[nH+]1 ZINC000449058820 1031390469 /nfs/dbraw/zinc/39/04/69/1031390469.db2.gz MGQAUIVZXAWGQP-UHFFFAOYSA-N 2 2 339.483 4.232 20 0 EIADLP C[C@H](Cc1coc2ccccc12)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449079854 1031435095 /nfs/dbraw/zinc/43/50/95/1031435095.db2.gz QNPNYDMJWSPYDW-MRXNPFEDSA-N 2 2 335.451 4.017 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531701906 1031488418 /nfs/dbraw/zinc/48/84/18/1031488418.db2.gz NDYOMYSWLMIHCS-HNNXBMFYSA-N 2 2 340.496 4.446 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453055564 1031545885 /nfs/dbraw/zinc/54/58/85/1031545885.db2.gz JVPSATWGLQPBLC-ROUUACIJSA-N 2 2 334.467 4.329 20 0 EIADLP COc1cccc2c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cccc12 ZINC000449229905 1031561469 /nfs/dbraw/zinc/56/14/69/1031561469.db2.gz FXDHFWLPEOPATL-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cccc2c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cccc12 ZINC000449229905 1031561487 /nfs/dbraw/zinc/56/14/87/1031561487.db2.gz FXDHFWLPEOPATL-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000125179842 1031576202 /nfs/dbraw/zinc/57/62/02/1031576202.db2.gz FXXXIIPABASKQC-MSOLQXFVSA-N 2 2 340.515 4.340 20 0 EIADLP C[N@H+](Cc1cnc(-c2ccccc2F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449321377 1031634606 /nfs/dbraw/zinc/63/46/06/1031634606.db2.gz LRBZTLLRPBBZOZ-YIONKMFJSA-N 2 2 345.487 4.006 20 0 EIADLP C[N@@H+](Cc1cnc(-c2ccccc2F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449321377 1031634616 /nfs/dbraw/zinc/63/46/16/1031634616.db2.gz LRBZTLLRPBBZOZ-YIONKMFJSA-N 2 2 345.487 4.006 20 0 EIADLP C[NH+](Cc1cnc(-c2ccccc2F)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449321377 1031634624 /nfs/dbraw/zinc/63/46/24/1031634624.db2.gz LRBZTLLRPBBZOZ-YIONKMFJSA-N 2 2 345.487 4.006 20 0 EIADLP C[NH+](Cc1cnc(-c2ccccc2F)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449321377 1031634631 /nfs/dbraw/zinc/63/46/31/1031634631.db2.gz LRBZTLLRPBBZOZ-YIONKMFJSA-N 2 2 345.487 4.006 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000126409118 1031648444 /nfs/dbraw/zinc/64/84/44/1031648444.db2.gz HIMBYQFYCOTEPN-LBPRGKRZSA-N 2 2 344.821 4.219 20 0 EIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCSCC1 ZINC000449351000 1031651040 /nfs/dbraw/zinc/65/10/40/1031651040.db2.gz NCHPFQVQJMSVGS-ZDUSSCGKSA-N 2 2 335.904 4.147 20 0 EIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCC(C)C)CC2)cc1 ZINC000449521907 1031821098 /nfs/dbraw/zinc/82/10/98/1031821098.db2.gz ICLFDCGWKMWXMW-KRWDZBQOSA-N 2 2 345.531 4.024 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000531941152 1031853892 /nfs/dbraw/zinc/85/38/92/1031853892.db2.gz SYNXIUQFACCOCY-WIYYLYMNSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000531941152 1031853896 /nfs/dbraw/zinc/85/38/96/1031853896.db2.gz SYNXIUQFACCOCY-WIYYLYMNSA-N 2 2 329.532 4.242 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000359895066 1031895842 /nfs/dbraw/zinc/89/58/42/1031895842.db2.gz GGPGCFSCNAORSW-HOCLYGCPSA-N 2 2 339.439 4.175 20 0 EIADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)c(C)s1 ZINC000359884583 1031896071 /nfs/dbraw/zinc/89/60/71/1031896071.db2.gz YRLKDJINEFBROQ-KPZWWZAWSA-N 2 2 349.569 4.130 20 0 EIADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)c(C)s1 ZINC000359884583 1031896079 /nfs/dbraw/zinc/89/60/79/1031896079.db2.gz YRLKDJINEFBROQ-KPZWWZAWSA-N 2 2 349.569 4.130 20 0 EIADLP Clc1cccc(CC2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000453365349 1031906736 /nfs/dbraw/zinc/90/67/36/1031906736.db2.gz LVRUTGLRKFXUEJ-UHFFFAOYSA-N 2 2 341.886 4.069 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000531974836 1031914896 /nfs/dbraw/zinc/91/48/96/1031914896.db2.gz OWISQOOJYFJQMN-NHCUHLMSSA-N 2 2 344.543 4.192 20 0 EIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459361129 1031930878 /nfs/dbraw/zinc/93/08/78/1031930878.db2.gz FSFLDQYOKKAMCK-QGZVFWFLSA-N 2 2 337.389 4.209 20 0 EIADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459361129 1031930898 /nfs/dbraw/zinc/93/08/98/1031930898.db2.gz FSFLDQYOKKAMCK-QGZVFWFLSA-N 2 2 337.389 4.209 20 0 EIADLP CC(C)CCc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)[nH+]c1 ZINC000449710471 1031948628 /nfs/dbraw/zinc/94/86/28/1031948628.db2.gz MULSICATFVUPIJ-UHFFFAOYSA-N 2 2 338.499 4.142 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000512774655 1033907016 /nfs/dbraw/zinc/90/70/16/1033907016.db2.gz YUTVMOZOYAHDGY-GOSISDBHSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000512774655 1033907029 /nfs/dbraw/zinc/90/70/29/1033907029.db2.gz YUTVMOZOYAHDGY-GOSISDBHSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000512774655 1033907040 /nfs/dbraw/zinc/90/70/40/1033907040.db2.gz YUTVMOZOYAHDGY-GOSISDBHSA-N 2 2 338.495 4.136 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000512774655 1033907048 /nfs/dbraw/zinc/90/70/48/1033907048.db2.gz YUTVMOZOYAHDGY-GOSISDBHSA-N 2 2 338.495 4.136 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773584 1033907242 /nfs/dbraw/zinc/90/72/42/1033907242.db2.gz OWLZJUOQZGOQAW-MRXNPFEDSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773584 1033907249 /nfs/dbraw/zinc/90/72/49/1033907249.db2.gz OWLZJUOQZGOQAW-MRXNPFEDSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773584 1033907253 /nfs/dbraw/zinc/90/72/53/1033907253.db2.gz OWLZJUOQZGOQAW-MRXNPFEDSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c(Cl)ccc2cccnc21 ZINC000512773584 1033907262 /nfs/dbraw/zinc/90/72/62/1033907262.db2.gz OWLZJUOQZGOQAW-MRXNPFEDSA-N 2 2 331.891 4.194 20 0 EIADLP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C)o1 ZINC000411513444 1033952982 /nfs/dbraw/zinc/95/29/82/1033952982.db2.gz OWJZCMCBSAMFTJ-HXUWFJFHSA-N 2 2 342.483 4.051 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430001498 1034848348 /nfs/dbraw/zinc/84/83/48/1034848348.db2.gz RVJGUUJIGQYZRV-UHFFFAOYSA-N 2 2 336.907 4.093 20 0 EIADLP FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513345086 1034891601 /nfs/dbraw/zinc/89/16/01/1034891601.db2.gz GOINKEGCVSOBHK-HOCLYGCPSA-N 2 2 341.421 4.009 20 0 EIADLP Cc1ncsc1C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000513398530 1034916354 /nfs/dbraw/zinc/91/63/54/1034916354.db2.gz UOQNUSDJWIFHCE-UHFFFAOYSA-N 2 2 331.529 4.042 20 0 EIADLP Cc1ncsc1C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000513398530 1034916360 /nfs/dbraw/zinc/91/63/60/1034916360.db2.gz UOQNUSDJWIFHCE-UHFFFAOYSA-N 2 2 331.529 4.042 20 0 EIADLP Cc1ncsc1C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513398530 1034916366 /nfs/dbraw/zinc/91/63/66/1034916366.db2.gz UOQNUSDJWIFHCE-UHFFFAOYSA-N 2 2 331.529 4.042 20 0 EIADLP Cc1ncsc1C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513398530 1034916376 /nfs/dbraw/zinc/91/63/76/1034916376.db2.gz UOQNUSDJWIFHCE-UHFFFAOYSA-N 2 2 331.529 4.042 20 0 EIADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345740102 1035298298 /nfs/dbraw/zinc/29/82/98/1035298298.db2.gz RVNLPGAGKICMPI-GFCCVEGCSA-N 2 2 339.361 4.249 20 0 EIADLP CCC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C1CC[NH2+]CC1 ZINC000420308143 1035504069 /nfs/dbraw/zinc/50/40/69/1035504069.db2.gz CMECKPHGDLDAPK-UHFFFAOYSA-N 2 2 349.931 4.428 20 0 EIADLP CCC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)C1CC[NH2+]CC1 ZINC000420308143 1035504081 /nfs/dbraw/zinc/50/40/81/1035504081.db2.gz CMECKPHGDLDAPK-UHFFFAOYSA-N 2 2 349.931 4.428 20 0 EIADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000420314941 1035509683 /nfs/dbraw/zinc/50/96/83/1035509683.db2.gz LTHZWWDKGVFRBK-ZDUSSCGKSA-N 2 2 335.904 4.167 20 0 EIADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000420314941 1035509694 /nfs/dbraw/zinc/50/96/94/1035509694.db2.gz LTHZWWDKGVFRBK-ZDUSSCGKSA-N 2 2 335.904 4.167 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000319650909 1035888932 /nfs/dbraw/zinc/88/89/32/1035888932.db2.gz DKPBOCQVESCCKA-HZPDHXFCSA-N 2 2 333.476 4.264 20 0 EIADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502451901 1036220935 /nfs/dbraw/zinc/22/09/35/1036220935.db2.gz LSXIPYCNKNTMHG-SESVDKBCSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421344051 1036289214 /nfs/dbraw/zinc/28/92/14/1036289214.db2.gz ROJNTJGZRCQVAA-QGZVFWFLSA-N 2 2 335.495 4.274 20 0 EIADLP CC[C@@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000668575126 1036429716 /nfs/dbraw/zinc/42/97/16/1036429716.db2.gz HBCQCOCYOXUXNN-RXVVDRJESA-N 2 2 333.479 4.487 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000572454667 1036533236 /nfs/dbraw/zinc/53/32/36/1036533236.db2.gz OXPPLZCGBODXFT-ATKRNPRHSA-N 2 2 344.543 4.021 20 0 EIADLP C[N@H+](CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)Cc1ccccc1 ZINC000513754181 1036651331 /nfs/dbraw/zinc/65/13/31/1036651331.db2.gz ISRUKRFEHBRDEY-FQEVSTJZSA-N 2 2 340.515 4.143 20 0 EIADLP C[N@@H+](CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)Cc1ccccc1 ZINC000513754181 1036651340 /nfs/dbraw/zinc/65/13/40/1036651340.db2.gz ISRUKRFEHBRDEY-FQEVSTJZSA-N 2 2 340.515 4.143 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669682998 1036853268 /nfs/dbraw/zinc/85/32/68/1036853268.db2.gz ZFEYXZZJMCVHNG-BKBDBRRMSA-N 2 2 331.463 4.397 20 0 EIADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000271952214 1037060791 /nfs/dbraw/zinc/06/07/91/1037060791.db2.gz CCZNHDLRDIOZCE-IMFGXOCKSA-N 2 2 327.472 4.117 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](C)C2 ZINC000272310297 1037157859 /nfs/dbraw/zinc/15/78/59/1037157859.db2.gz RJHJFZJNCLENPL-JTSKRJEESA-N 2 2 331.463 4.263 20 0 EIADLP Cc1ccc(SCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272501704 1037205003 /nfs/dbraw/zinc/20/50/03/1037205003.db2.gz DUDKNTUESWWWCV-UHFFFAOYSA-N 2 2 346.462 4.094 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000669714434 1037352304 /nfs/dbraw/zinc/35/23/04/1037352304.db2.gz PMJKKRGOKVFBEZ-QGZVFWFLSA-N 2 2 334.467 4.080 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000669714434 1037352324 /nfs/dbraw/zinc/35/23/24/1037352324.db2.gz PMJKKRGOKVFBEZ-QGZVFWFLSA-N 2 2 334.467 4.080 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273290094 1037402469 /nfs/dbraw/zinc/40/24/69/1037402469.db2.gz POVKMWHRIPSDAR-WMZOPIPTSA-N 2 2 339.483 4.084 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273290094 1037402484 /nfs/dbraw/zinc/40/24/84/1037402484.db2.gz POVKMWHRIPSDAR-WMZOPIPTSA-N 2 2 339.483 4.084 20 0 EIADLP c1ccc([C@H]2CCC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000488392599 1037561099 /nfs/dbraw/zinc/56/10/99/1037561099.db2.gz QNALJOMYXOXJON-PZJWPPBQSA-N 2 2 335.495 4.366 20 0 EIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488429273 1037590718 /nfs/dbraw/zinc/59/07/18/1037590718.db2.gz DRVNHRAGZJYJKN-RHSMWYFYSA-N 2 2 333.476 4.021 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CS[C@@H](C(C)C)C2)c(C)c1 ZINC000488450387 1037604724 /nfs/dbraw/zinc/60/47/24/1037604724.db2.gz SDOYSKUFDZNQOL-YZGWKJHDSA-N 2 2 343.540 4.361 20 0 EIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000573790797 1037697272 /nfs/dbraw/zinc/69/72/72/1037697272.db2.gz UNIUZEVUCPKJBB-RDJZCZTQSA-N 2 2 327.472 4.187 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCSC3CCCCC3)C2)n2c1CCCC2 ZINC000503371262 1037712008 /nfs/dbraw/zinc/71/20/08/1037712008.db2.gz HTTVEYFEGLBFRG-KRWDZBQOSA-N 2 2 347.572 4.465 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](CCSC3CCCCC3)C2)n2c1CCCC2 ZINC000503371262 1037712028 /nfs/dbraw/zinc/71/20/28/1037712028.db2.gz HTTVEYFEGLBFRG-KRWDZBQOSA-N 2 2 347.572 4.465 20 0 EIADLP C[NH+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479263757 1037732683 /nfs/dbraw/zinc/73/26/83/1037732683.db2.gz QQSJNVDWTKIYHM-SFHVURJKSA-N 2 2 347.300 4.080 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436118 1037760325 /nfs/dbraw/zinc/76/03/25/1037760325.db2.gz CRAVVIMVETYWCE-WIYYLYMNSA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436118 1037760346 /nfs/dbraw/zinc/76/03/46/1037760346.db2.gz CRAVVIMVETYWCE-WIYYLYMNSA-N 2 2 335.495 4.476 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000422880415 1037852438 /nfs/dbraw/zinc/85/24/38/1037852438.db2.gz WXPKIRSBSBKRHO-SVIJTADQSA-N 2 2 340.442 4.410 20 0 EIADLP C[C@@H]([NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422931766 1037874128 /nfs/dbraw/zinc/87/41/28/1037874128.db2.gz CVAQKFJZFNUDOM-GFCCVEGCSA-N 2 2 335.278 4.280 20 0 EIADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccccc1 ZINC000423235553 1038054492 /nfs/dbraw/zinc/05/44/92/1038054492.db2.gz GMBGKGFMNIGAEL-MSOLQXFVSA-N 2 2 349.503 4.477 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236611 1038055022 /nfs/dbraw/zinc/05/50/22/1038055022.db2.gz OPBSGKWAQWECDH-IAQYHMDHSA-N 2 2 335.904 4.175 20 0 EIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423231656 1038069081 /nfs/dbraw/zinc/06/90/81/1038069081.db2.gz AWUFAVGDGZPZFN-YCRPNKLZSA-N 2 2 339.483 4.119 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246121 1038075620 /nfs/dbraw/zinc/07/56/20/1038075620.db2.gz PHILJKRCFDWWEB-KSSFIOAISA-N 2 2 337.492 4.469 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423385195 1038192782 /nfs/dbraw/zinc/19/27/82/1038192782.db2.gz GMSWBYPAEPORSE-ZNOIYHFQSA-N 2 2 332.850 4.156 20 0 EIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423385198 1038192924 /nfs/dbraw/zinc/19/29/24/1038192924.db2.gz GMSWBYPAEPORSE-ZNZDAUKMSA-N 2 2 332.850 4.156 20 0 EIADLP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000423452063 1038230548 /nfs/dbraw/zinc/23/05/48/1038230548.db2.gz VVUNIEXZQAVKKR-XWCIJXRUSA-N 2 2 340.364 4.259 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000423510497 1038268240 /nfs/dbraw/zinc/26/82/40/1038268240.db2.gz SJPORGLJEDSQHY-LEWJYISDSA-N 2 2 344.474 4.145 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423571460 1038297765 /nfs/dbraw/zinc/29/77/65/1038297765.db2.gz XOHSBRBWXGEFOR-OCCSQVGLSA-N 2 2 333.476 4.050 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608068899 1038482472 /nfs/dbraw/zinc/48/24/72/1038482472.db2.gz KQUIPDLHJMNIDF-AYOQOUSVSA-N 2 2 335.451 4.210 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000608141920 1038642993 /nfs/dbraw/zinc/64/29/93/1038642993.db2.gz LLTWVNRRRZYPFA-ROUUACIJSA-N 2 2 348.918 4.378 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000608141920 1038643001 /nfs/dbraw/zinc/64/30/01/1038643001.db2.gz LLTWVNRRRZYPFA-ROUUACIJSA-N 2 2 348.918 4.378 20 0 EIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000647934642 1038720936 /nfs/dbraw/zinc/72/09/36/1038720936.db2.gz LEPHJQAPFKVLRX-JJRVBVJISA-N 2 2 347.890 4.424 20 0 EIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000647934642 1038721109 /nfs/dbraw/zinc/72/11/09/1038721109.db2.gz LEPHJQAPFKVLRX-JJRVBVJISA-N 2 2 347.890 4.424 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000480771351 1038808574 /nfs/dbraw/zinc/80/85/74/1038808574.db2.gz OMTIIGUYMZCZSG-MRXNPFEDSA-N 2 2 344.449 4.323 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071573 1039098520 /nfs/dbraw/zinc/09/85/20/1039098520.db2.gz PIUOXVGACWSHQS-WBVHZDCISA-N 2 2 335.561 4.495 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071573 1039098533 /nfs/dbraw/zinc/09/85/33/1039098533.db2.gz PIUOXVGACWSHQS-WBVHZDCISA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071573 1039098558 /nfs/dbraw/zinc/09/85/58/1039098558.db2.gz PIUOXVGACWSHQS-WBVHZDCISA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@H]1C ZINC000552071573 1039098579 /nfs/dbraw/zinc/09/85/79/1039098579.db2.gz PIUOXVGACWSHQS-WBVHZDCISA-N 2 2 335.561 4.495 20 0 EIADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000090176733 1039190649 /nfs/dbraw/zinc/19/06/49/1039190649.db2.gz VOQMIRUUVRAFLP-MGPUTAFESA-N 2 2 339.414 4.050 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC(F)F)c1 ZINC000162866129 1039193829 /nfs/dbraw/zinc/19/38/29/1039193829.db2.gz ZWEBTIVDWQPRTR-AWEZNQCLSA-N 2 2 335.398 4.226 20 0 EIADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000090403272 1039222449 /nfs/dbraw/zinc/22/24/49/1039222449.db2.gz STQSARRYNSUCDB-HNNXBMFYSA-N 2 2 329.513 4.075 20 0 EIADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CCCCC2)n1 ZINC000552247544 1039314273 /nfs/dbraw/zinc/31/42/73/1039314273.db2.gz SSIRKMUTJNCSCX-HXUWFJFHSA-N 2 2 344.547 4.418 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066353 1039457547 /nfs/dbraw/zinc/45/75/47/1039457547.db2.gz RHCXCGHKTMYJSZ-APWZRJJASA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066353 1039457556 /nfs/dbraw/zinc/45/75/56/1039457556.db2.gz RHCXCGHKTMYJSZ-APWZRJJASA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066353 1039457565 /nfs/dbraw/zinc/45/75/65/1039457565.db2.gz RHCXCGHKTMYJSZ-APWZRJJASA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066353 1039457574 /nfs/dbraw/zinc/45/75/74/1039457574.db2.gz RHCXCGHKTMYJSZ-APWZRJJASA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683478 1039728263 /nfs/dbraw/zinc/72/82/63/1039728263.db2.gz UBRGSRBKAYTBNI-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683478 1039728285 /nfs/dbraw/zinc/72/82/85/1039728285.db2.gz UBRGSRBKAYTBNI-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000551087223 1039970363 /nfs/dbraw/zinc/97/03/63/1039970363.db2.gz NKZHCSCIHOQXRL-WDSOQIARSA-N 2 2 342.870 4.199 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C[C@H]1c1ccccc1 ZINC000551087223 1039970383 /nfs/dbraw/zinc/97/03/83/1039970383.db2.gz NKZHCSCIHOQXRL-WDSOQIARSA-N 2 2 342.870 4.199 20 0 EIADLP Fc1cc(Cl)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435049284 1040028548 /nfs/dbraw/zinc/02/85/48/1040028548.db2.gz QQMZXAOCANJRIE-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](CC)CC)cc1 ZINC000551228592 1040072870 /nfs/dbraw/zinc/07/28/70/1040072870.db2.gz JRRFSULDMOZGLF-UTKZUKDTSA-N 2 2 332.532 4.037 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405257 1040262648 /nfs/dbraw/zinc/26/26/48/1040262648.db2.gz JTBPMHUUQBDARD-UHFFFAOYSA-N 2 2 337.389 4.345 20 0 EIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573301 1040391321 /nfs/dbraw/zinc/39/13/21/1040391321.db2.gz HOQIPXHBYVIQJQ-MRXNPFEDSA-N 2 2 348.450 4.374 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435447179 1040394744 /nfs/dbraw/zinc/39/47/44/1040394744.db2.gz FLEYAXWAFIFUOM-MRXNPFEDSA-N 2 2 349.931 4.025 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435447179 1040394754 /nfs/dbraw/zinc/39/47/54/1040394754.db2.gz FLEYAXWAFIFUOM-MRXNPFEDSA-N 2 2 349.931 4.025 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000479522195 1040422687 /nfs/dbraw/zinc/42/26/87/1040422687.db2.gz AUEAUXMHGWXSEZ-LADRWXRNSA-N 2 2 348.918 4.469 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000539555032 1040556676 /nfs/dbraw/zinc/55/66/76/1040556676.db2.gz QIDOPPQSLQGKDS-OAHLLOKOSA-N 2 2 330.422 4.064 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000539555032 1040556701 /nfs/dbraw/zinc/55/67/01/1040556701.db2.gz QIDOPPQSLQGKDS-OAHLLOKOSA-N 2 2 330.422 4.064 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577613 1040577565 /nfs/dbraw/zinc/57/75/65/1040577565.db2.gz YCAYCTHPRNSKKP-SJORKVTESA-N 2 2 337.389 4.170 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577613 1040577588 /nfs/dbraw/zinc/57/75/88/1040577588.db2.gz YCAYCTHPRNSKKP-SJORKVTESA-N 2 2 337.389 4.170 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000479887526 1040767124 /nfs/dbraw/zinc/76/71/24/1040767124.db2.gz QROGYYYPLIDOMK-JOCHJYFZSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000479887526 1040767129 /nfs/dbraw/zinc/76/71/29/1040767129.db2.gz QROGYYYPLIDOMK-JOCHJYFZSA-N 2 2 345.490 4.235 20 0 EIADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000902926283 1040866524 /nfs/dbraw/zinc/86/65/24/1040866524.db2.gz KFQICOCOLKNGDI-IMFGXOCKSA-N 2 2 327.472 4.117 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000483804557 1041015438 /nfs/dbraw/zinc/01/54/38/1041015438.db2.gz HCYKRGKTFPYLMS-NQIIRXRSSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000483804557 1041015456 /nfs/dbraw/zinc/01/54/56/1041015456.db2.gz HCYKRGKTFPYLMS-NQIIRXRSSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062196 1041033915 /nfs/dbraw/zinc/03/39/15/1041033915.db2.gz FXISDYJDKCVLEY-LSDHHAIUSA-N 2 2 348.922 4.142 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062196 1041033932 /nfs/dbraw/zinc/03/39/32/1041033932.db2.gz FXISDYJDKCVLEY-LSDHHAIUSA-N 2 2 348.922 4.142 20 0 EIADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000554375591 1041062669 /nfs/dbraw/zinc/06/26/69/1041062669.db2.gz SEGPSLKULUCISA-QDIHITRGSA-N 2 2 332.454 4.206 20 0 EIADLP COc1ccc2oc([C@@H](C)[NH2+]CCCNc3cccc[nH+]3)c(C)c2c1 ZINC000484305083 1041192132 /nfs/dbraw/zinc/19/21/32/1041192132.db2.gz UMBALGDVJGJIRE-OAHLLOKOSA-N 2 2 339.439 4.298 20 0 EIADLP CCCC[C@@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540152694 1041202650 /nfs/dbraw/zinc/20/26/50/1041202650.db2.gz MMTZMZHCKYQMSD-AZUAARDMSA-N 2 2 329.488 4.036 20 0 EIADLP Cc1cc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)ccc1F ZINC000540154208 1041205044 /nfs/dbraw/zinc/20/50/44/1041205044.db2.gz OYKMDJDDVMAESI-NRFANRHFSA-N 2 2 339.458 4.239 20 0 EIADLP CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000463097347 1041331465 /nfs/dbraw/zinc/33/14/65/1041331465.db2.gz WSLWEHBOAXVMTF-VXKWHMMOSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000463097347 1041331477 /nfs/dbraw/zinc/33/14/77/1041331477.db2.gz WSLWEHBOAXVMTF-VXKWHMMOSA-N 2 2 349.522 4.424 20 0 EIADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523940 1041355033 /nfs/dbraw/zinc/35/50/33/1041355033.db2.gz FIAITALBFWXVCU-UXHICEINSA-N 2 2 325.500 4.278 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)CCCC2 ZINC000156236908 1041363608 /nfs/dbraw/zinc/36/36/08/1041363608.db2.gz FNDDWDRBQAPZQP-OAHLLOKOSA-N 2 2 341.524 4.342 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000480535920 1041371039 /nfs/dbraw/zinc/37/10/39/1041371039.db2.gz ANTAZRWJCAVFSG-HXUWFJFHSA-N 2 2 325.500 4.422 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463245265 1041451439 /nfs/dbraw/zinc/45/14/39/1041451439.db2.gz QXAAIFVKPUHPKU-NQIIRXRSSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463245265 1041451444 /nfs/dbraw/zinc/45/14/44/1041451444.db2.gz QXAAIFVKPUHPKU-NQIIRXRSSA-N 2 2 349.522 4.103 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720623 1041489246 /nfs/dbraw/zinc/48/92/46/1041489246.db2.gz KGRLRRNMUNPKET-MLGOLLRUSA-N 2 2 332.385 4.007 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720623 1041489254 /nfs/dbraw/zinc/48/92/54/1041489254.db2.gz KGRLRRNMUNPKET-MLGOLLRUSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720623 1041489262 /nfs/dbraw/zinc/48/92/62/1041489262.db2.gz KGRLRRNMUNPKET-MLGOLLRUSA-N 2 2 332.385 4.007 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000538720623 1041489269 /nfs/dbraw/zinc/48/92/69/1041489269.db2.gz KGRLRRNMUNPKET-MLGOLLRUSA-N 2 2 332.385 4.007 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)oc21 ZINC000540594798 1041550454 /nfs/dbraw/zinc/55/04/54/1041550454.db2.gz OVHYTJXCHRIGOJ-OAHLLOKOSA-N 2 2 347.418 4.478 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915757 1041736564 /nfs/dbraw/zinc/73/65/64/1041736564.db2.gz UBRWYNGRVXGNLN-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000540915757 1041736572 /nfs/dbraw/zinc/73/65/72/1041736572.db2.gz UBRWYNGRVXGNLN-YWZLYKJASA-N 2 2 346.877 4.500 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000464078216 1041856988 /nfs/dbraw/zinc/85/69/88/1041856988.db2.gz QQECBTATNQOABC-ZIBCJSCZSA-N 2 2 344.543 4.301 20 0 EIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C2 ZINC000541542773 1041991938 /nfs/dbraw/zinc/99/19/38/1041991938.db2.gz FDRJKGBCTCHLAN-LAUBAEHRSA-N 2 2 349.478 4.468 20 0 EIADLP CC[C@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536594 1041998653 /nfs/dbraw/zinc/99/86/53/1041998653.db2.gz CWDFCQMVGIDHCD-VQTJNVASSA-N 2 2 343.559 4.237 20 0 EIADLP CC[C@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536594 1041998665 /nfs/dbraw/zinc/99/86/65/1041998665.db2.gz CWDFCQMVGIDHCD-VQTJNVASSA-N 2 2 343.559 4.237 20 0 EIADLP CC[N@@H+](Cc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809073 1042172742 /nfs/dbraw/zinc/17/27/42/1042172742.db2.gz YUDJBYUXFVMECB-UHFFFAOYSA-N 2 2 343.902 4.474 20 0 EIADLP CC[N@H+](Cc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809073 1042172744 /nfs/dbraw/zinc/17/27/44/1042172744.db2.gz YUDJBYUXFVMECB-UHFFFAOYSA-N 2 2 343.902 4.474 20 0 EIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000465014851 1042282359 /nfs/dbraw/zinc/28/23/59/1042282359.db2.gz DXGQMGVKBFKYDD-UHFFFAOYSA-N 2 2 338.495 4.473 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000509547417 1042360263 /nfs/dbraw/zinc/36/02/63/1042360263.db2.gz YNJIJSWAAZVKCZ-PDGQHHTCSA-N 2 2 347.462 4.212 20 0 EIADLP CCCOc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000474006566 1043014130 /nfs/dbraw/zinc/01/41/30/1043014130.db2.gz FYMVDTHDCAFGNC-UHFFFAOYSA-N 2 2 341.480 4.321 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2c(F)ccc(C)c2F)[nH+]1 ZINC001168007524 1043018509 /nfs/dbraw/zinc/01/85/09/1043018509.db2.gz DIHKVRRAGRMGJI-HNNXBMFYSA-N 2 2 331.410 4.053 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c(F)ccc(C)c2F)[nH+]1 ZINC001168007524 1043018516 /nfs/dbraw/zinc/01/85/16/1043018516.db2.gz DIHKVRRAGRMGJI-HNNXBMFYSA-N 2 2 331.410 4.053 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(C(F)F)cc2)c2cccc[nH+]2)CC1 ZINC000895112164 1043029148 /nfs/dbraw/zinc/02/91/48/1043029148.db2.gz NCHQTABLUZKPGD-QAQDUYKDSA-N 2 2 331.410 4.296 20 0 EIADLP CC(C)(C)c1cnc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895113411 1043031672 /nfs/dbraw/zinc/03/16/72/1043031672.db2.gz WDPKDKAZSGZUTB-SHTZXODSSA-N 2 2 344.528 4.112 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009141 1043090315 /nfs/dbraw/zinc/09/03/15/1043090315.db2.gz YRJRNFYDFVXZMX-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009141 1043090325 /nfs/dbraw/zinc/09/03/25/1043090325.db2.gz YRJRNFYDFVXZMX-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cc(Cl)ccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009150 1043092159 /nfs/dbraw/zinc/09/21/59/1043092159.db2.gz YRJRNFYDFVXZMX-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP FC(F)(F)c1ccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000516593306 1043140235 /nfs/dbraw/zinc/14/02/35/1043140235.db2.gz ROWIQRLSSCPJAF-UHFFFAOYSA-N 2 2 334.345 4.342 20 0 EIADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876893 1043235324 /nfs/dbraw/zinc/23/53/24/1043235324.db2.gz NJRWUGCUDHSBNT-HZPDHXFCSA-N 2 2 337.389 4.348 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427883644 1043249817 /nfs/dbraw/zinc/24/98/17/1043249817.db2.gz REFIDFKMVMVKNK-IKGGRYGDSA-N 2 2 349.400 4.143 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887239 1043251008 /nfs/dbraw/zinc/25/10/08/1043251008.db2.gz SCTJPLRFZJDWJK-HUUCEWRRSA-N 2 2 338.282 4.116 20 0 EIADLP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnc(C3CCCCC3)s2)c[nH+]1 ZINC000527358181 1043257344 /nfs/dbraw/zinc/25/73/44/1043257344.db2.gz XFHLEOQNWIYGIT-MRXNPFEDSA-N 2 2 330.501 4.052 20 0 EIADLP c1cn(C[C@H]2CCC[N@H+]2Cc2cnc(C3CCCCC3)s2)c[nH+]1 ZINC000527358181 1043257350 /nfs/dbraw/zinc/25/73/50/1043257350.db2.gz XFHLEOQNWIYGIT-MRXNPFEDSA-N 2 2 330.501 4.052 20 0 EIADLP FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000674045127 1043345811 /nfs/dbraw/zinc/34/58/11/1043345811.db2.gz FVBFPWVBNMGAHU-RDJZCZTQSA-N 2 2 337.389 4.331 20 0 EIADLP COc1cccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000674048692 1043350239 /nfs/dbraw/zinc/35/02/39/1043350239.db2.gz ATFVRXVMVZBIQV-OXQOHEQNSA-N 2 2 335.451 4.063 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479631 1043385320 /nfs/dbraw/zinc/38/53/20/1043385320.db2.gz VYJCMLZZIVLIDK-UTKZUKDTSA-N 2 2 341.474 4.164 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479631 1043385331 /nfs/dbraw/zinc/38/53/31/1043385331.db2.gz VYJCMLZZIVLIDK-UTKZUKDTSA-N 2 2 341.474 4.164 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000165985493 1043411839 /nfs/dbraw/zinc/41/18/39/1043411839.db2.gz IUGVXLXLOZMACR-SJLPKXTDSA-N 2 2 332.513 4.108 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000165985493 1043411847 /nfs/dbraw/zinc/41/18/47/1043411847.db2.gz IUGVXLXLOZMACR-SJLPKXTDSA-N 2 2 332.513 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012749 1043451374 /nfs/dbraw/zinc/45/13/74/1043451374.db2.gz DQUDZQOHZFMKAX-OPVJXMOQSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012749 1043451382 /nfs/dbraw/zinc/45/13/82/1043451382.db2.gz DQUDZQOHZFMKAX-OPVJXMOQSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000443222189 1044107719 /nfs/dbraw/zinc/10/77/19/1044107719.db2.gz MLGOGRMVKSQVIS-YSSFQJQWSA-N 2 2 346.490 4.282 20 0 EIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000443222183 1044107799 /nfs/dbraw/zinc/10/77/99/1044107799.db2.gz MLGOGRMVKSQVIS-UIAACRFSSA-N 2 2 346.490 4.282 20 0 EIADLP CC(C)c1cc(N2CCC(CCC[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000499703822 1044270260 /nfs/dbraw/zinc/27/02/60/1044270260.db2.gz GHTIEWBVOFVGQU-UHFFFAOYSA-N 2 2 332.536 4.282 20 0 EIADLP C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323838158 1044289373 /nfs/dbraw/zinc/28/93/73/1044289373.db2.gz JKJDRENTKCGEMY-QGZVFWFLSA-N 2 2 327.472 4.262 20 0 EIADLP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000323860456 1044291668 /nfs/dbraw/zinc/29/16/68/1044291668.db2.gz FVPUQTWEYYXBMV-OAQYLSRUSA-N 2 2 326.484 4.106 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280255 1044388520 /nfs/dbraw/zinc/38/85/20/1044388520.db2.gz MNMSSEXCIIEZCS-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280255 1044388465 /nfs/dbraw/zinc/38/84/65/1044388465.db2.gz MNMSSEXCIIEZCS-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280255 1044388483 /nfs/dbraw/zinc/38/84/83/1044388483.db2.gz MNMSSEXCIIEZCS-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000428280255 1044388500 /nfs/dbraw/zinc/38/85/00/1044388500.db2.gz MNMSSEXCIIEZCS-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192373 1044399461 /nfs/dbraw/zinc/39/94/61/1044399461.db2.gz UDVXQKHKDWRSFR-GAJHUEQPSA-N 2 2 349.522 4.245 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400628 1044518095 /nfs/dbraw/zinc/51/80/95/1044518095.db2.gz HLIJUDGVFWGVHC-LAUBAEHRSA-N 2 2 341.474 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400628 1044518110 /nfs/dbraw/zinc/51/81/10/1044518110.db2.gz HLIJUDGVFWGVHC-LAUBAEHRSA-N 2 2 341.474 4.020 20 0 EIADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494972267 1044554335 /nfs/dbraw/zinc/55/43/35/1044554335.db2.gz KKVDNMDKQMBIMI-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000494972267 1044554349 /nfs/dbraw/zinc/55/43/49/1044554349.db2.gz KKVDNMDKQMBIMI-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000494972267 1044554365 /nfs/dbraw/zinc/55/43/65/1044554365.db2.gz KKVDNMDKQMBIMI-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000494972267 1044554381 /nfs/dbraw/zinc/55/43/81/1044554381.db2.gz KKVDNMDKQMBIMI-DNVCBOLYSA-N 2 2 348.918 4.187 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000675918211 1044559788 /nfs/dbraw/zinc/55/97/88/1044559788.db2.gz FHFYBBNPHSAOSE-IFXJQAMLSA-N 2 2 341.405 4.333 20 0 EIADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OC)c1 ZINC000675919888 1044559940 /nfs/dbraw/zinc/55/99/40/1044559940.db2.gz JKKWRZJRFQKKBP-LEWJYISDSA-N 2 2 349.478 4.453 20 0 EIADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919851 1044561986 /nfs/dbraw/zinc/56/19/86/1044561986.db2.gz JFZLLWWUJVRVAA-NQIIRXRSSA-N 2 2 333.479 4.233 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000675921721 1044563225 /nfs/dbraw/zinc/56/32/25/1044563225.db2.gz MTQDVUIDJGHOPB-ZWKOTPCHSA-N 2 2 337.492 4.433 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[NH+]1CCCCC1 ZINC000543418746 1044563460 /nfs/dbraw/zinc/56/34/60/1044563460.db2.gz KFEGUKVVYVNKMR-CABCVRRESA-N 2 2 348.922 4.142 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000675923054 1044565678 /nfs/dbraw/zinc/56/56/78/1044565678.db2.gz RGWKDWXGLVZMFC-PMACEKPBSA-N 2 2 335.426 4.120 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000675924207 1044567952 /nfs/dbraw/zinc/56/79/52/1044567952.db2.gz WPLSHDIYSYREPW-WOJBJXKFSA-N 2 2 335.426 4.120 20 0 EIADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923903 1044568002 /nfs/dbraw/zinc/56/80/02/1044568002.db2.gz VGAPCUBXANJOOD-NHCUHLMSSA-N 2 2 331.463 4.289 20 0 EIADLP Cc1ccccc1COc1c(C)cc(C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000734842549 1044697418 /nfs/dbraw/zinc/69/74/18/1044697418.db2.gz QFTPYTSCFXXULM-UHFFFAOYSA-N 2 2 349.478 4.177 20 0 EIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766213570 1044793233 /nfs/dbraw/zinc/79/32/33/1044793233.db2.gz GWMWMTSYZXYWMG-OXQOHEQNSA-N 2 2 329.532 4.136 20 0 EIADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390563117 1044883969 /nfs/dbraw/zinc/88/39/69/1044883969.db2.gz NBJFRAJFDDJHMS-SFHVURJKSA-N 2 2 346.421 4.042 20 0 EIADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390563117 1044883971 /nfs/dbraw/zinc/88/39/71/1044883971.db2.gz NBJFRAJFDDJHMS-SFHVURJKSA-N 2 2 346.421 4.042 20 0 EIADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390566843 1044884143 /nfs/dbraw/zinc/88/41/43/1044884143.db2.gz QHMAIEYMYWWJEE-IBGZPJMESA-N 2 2 326.509 4.163 20 0 EIADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390566843 1044884154 /nfs/dbraw/zinc/88/41/54/1044884154.db2.gz QHMAIEYMYWWJEE-IBGZPJMESA-N 2 2 326.509 4.163 20 0 EIADLP C[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766231140 1045030095 /nfs/dbraw/zinc/03/00/95/1045030095.db2.gz WSRNZXDMJBFCGV-UWJYYQICSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000673626669 1045053012 /nfs/dbraw/zinc/05/30/12/1045053012.db2.gz BQYLHFUBRFRVOB-AUUYWEPGSA-N 2 2 341.405 4.333 20 0 EIADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361497124 1045075557 /nfs/dbraw/zinc/07/55/57/1045075557.db2.gz OIQDGSROGJAADK-GOSISDBHSA-N 2 2 339.439 4.338 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551174812 1045210875 /nfs/dbraw/zinc/21/08/75/1045210875.db2.gz FHUICHSOBNISOS-TYPHKJRUSA-N 2 2 336.479 4.244 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551174812 1045210885 /nfs/dbraw/zinc/21/08/85/1045210885.db2.gz FHUICHSOBNISOS-TYPHKJRUSA-N 2 2 336.479 4.244 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000486960902 1045220586 /nfs/dbraw/zinc/22/05/86/1045220586.db2.gz AKRKBLRQTOJBIK-UHFFFAOYSA-N 2 2 341.524 4.083 20 0 EIADLP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237798105 1045395187 /nfs/dbraw/zinc/39/51/87/1045395187.db2.gz XNULPBCTAQNHET-KRWDZBQOSA-N 2 2 343.471 4.016 20 0 EIADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028707 1045837588 /nfs/dbraw/zinc/83/75/88/1045837588.db2.gz QQSJPQNSVJVFCM-UZKOGDIHSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247028707 1045837589 /nfs/dbraw/zinc/83/75/89/1045837589.db2.gz QQSJPQNSVJVFCM-UZKOGDIHSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247028707 1045837591 /nfs/dbraw/zinc/83/75/91/1045837591.db2.gz QQSJPQNSVJVFCM-UZKOGDIHSA-N 2 2 335.495 4.129 20 0 EIADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247028707 1045837594 /nfs/dbraw/zinc/83/75/94/1045837594.db2.gz QQSJPQNSVJVFCM-UZKOGDIHSA-N 2 2 335.495 4.129 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000247079944 1045840699 /nfs/dbraw/zinc/84/06/99/1045840699.db2.gz OTQPRYZSKQVZED-NJAFHUGGSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000247079944 1045840704 /nfs/dbraw/zinc/84/07/04/1045840704.db2.gz OTQPRYZSKQVZED-NJAFHUGGSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000247175529 1045843634 /nfs/dbraw/zinc/84/36/34/1045843634.db2.gz YUXAGVUGMOHNIQ-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000247175529 1045843638 /nfs/dbraw/zinc/84/36/38/1045843638.db2.gz YUXAGVUGMOHNIQ-CZAAIQMYSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000247980649 1045861033 /nfs/dbraw/zinc/86/10/33/1045861033.db2.gz MLWKDHTZGYQZDM-ZPMCFJSWSA-N 2 2 335.495 4.033 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000247980649 1045861037 /nfs/dbraw/zinc/86/10/37/1045861037.db2.gz MLWKDHTZGYQZDM-ZPMCFJSWSA-N 2 2 335.495 4.033 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248832886 1045885776 /nfs/dbraw/zinc/88/57/76/1045885776.db2.gz MSYXJAUKKMWEET-UCNVEGJOSA-N 2 2 347.462 4.443 20 0 EIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384126 1045941323 /nfs/dbraw/zinc/94/13/23/1045941323.db2.gz LCRUFSANKXYWCA-IERDGZPVSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384126 1045941348 /nfs/dbraw/zinc/94/13/48/1045941348.db2.gz LCRUFSANKXYWCA-IERDGZPVSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384126 1045941309 /nfs/dbraw/zinc/94/13/09/1045941309.db2.gz LCRUFSANKXYWCA-IERDGZPVSA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000769384126 1045941339 /nfs/dbraw/zinc/94/13/39/1045941339.db2.gz LCRUFSANKXYWCA-IERDGZPVSA-N 2 2 326.484 4.381 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000769871448 1046098913 /nfs/dbraw/zinc/09/89/13/1046098913.db2.gz GUESRGCSCAGRLF-QFBILLFUSA-N 2 2 341.499 4.108 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769871448 1046098924 /nfs/dbraw/zinc/09/89/24/1046098924.db2.gz GUESRGCSCAGRLF-QFBILLFUSA-N 2 2 341.499 4.108 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000769874933 1046101718 /nfs/dbraw/zinc/10/17/18/1046101718.db2.gz ZDBYBDCXDOQGEM-TXPKVOOTSA-N 2 2 341.499 4.249 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000769874933 1046101714 /nfs/dbraw/zinc/10/17/14/1046101714.db2.gz ZDBYBDCXDOQGEM-TXPKVOOTSA-N 2 2 341.499 4.249 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000793526111 1046266909 /nfs/dbraw/zinc/26/69/09/1046266909.db2.gz XCSCTHUNBQQTRO-HUYLIWGRSA-N 2 2 341.499 4.088 20 0 EIADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000508682422 1046318093 /nfs/dbraw/zinc/31/80/93/1046318093.db2.gz YCCAIVXCLMRFIB-GOSISDBHSA-N 2 2 349.478 4.443 20 0 EIADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)o2)cc1 ZINC000508682422 1046318111 /nfs/dbraw/zinc/31/81/11/1046318111.db2.gz YCCAIVXCLMRFIB-GOSISDBHSA-N 2 2 349.478 4.443 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718308 1046373982 /nfs/dbraw/zinc/37/39/82/1046373982.db2.gz KSSYAGSSNSBTSZ-HZPDHXFCSA-N 2 2 345.512 4.130 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718308 1046374000 /nfs/dbraw/zinc/37/40/00/1046374000.db2.gz KSSYAGSSNSBTSZ-HZPDHXFCSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718308 1046374016 /nfs/dbraw/zinc/37/40/16/1046374016.db2.gz KSSYAGSSNSBTSZ-HZPDHXFCSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@H]1C ZINC000508718308 1046374019 /nfs/dbraw/zinc/37/40/19/1046374019.db2.gz KSSYAGSSNSBTSZ-HZPDHXFCSA-N 2 2 345.512 4.130 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126666754 1046512996 /nfs/dbraw/zinc/51/29/96/1046512996.db2.gz QYSWTQDKJYIKFX-LBPRGKRZSA-N 2 2 343.284 4.112 20 0 EIADLP FC1(F)CCC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000459414449 1046639740 /nfs/dbraw/zinc/63/97/40/1046639740.db2.gz SLUANAMEXFSZLQ-UHFFFAOYSA-N 2 2 325.447 4.201 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379624357 1046716910 /nfs/dbraw/zinc/71/69/10/1046716910.db2.gz JPDRXTPSILBZSN-HNAYVOBHSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379624357 1046716914 /nfs/dbraw/zinc/71/69/14/1046716914.db2.gz JPDRXTPSILBZSN-HNAYVOBHSA-N 2 2 330.422 4.108 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459633413 1046822626 /nfs/dbraw/zinc/82/26/26/1046822626.db2.gz GQJMJHUKBQRXGR-SFHVURJKSA-N 2 2 334.467 4.077 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1nc2c(s1)CCC2 ZINC000459644610 1046832237 /nfs/dbraw/zinc/83/22/37/1046832237.db2.gz FHXUXMRUBCVRCB-MPGHIAIKSA-N 2 2 347.572 4.326 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165189 1046924453 /nfs/dbraw/zinc/92/44/53/1046924453.db2.gz QCGICGZEDVZHTM-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165189 1046924431 /nfs/dbraw/zinc/92/44/31/1046924431.db2.gz QCGICGZEDVZHTM-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165189 1046924471 /nfs/dbraw/zinc/92/44/71/1046924471.db2.gz QCGICGZEDVZHTM-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000787165189 1046924488 /nfs/dbraw/zinc/92/44/88/1046924488.db2.gz QCGICGZEDVZHTM-OXJNMPFZSA-N 2 2 341.474 4.014 20 0 EIADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000537103786 1046929952 /nfs/dbraw/zinc/92/99/52/1046929952.db2.gz QDFWKMKCKLMCQM-JOCHJYFZSA-N 2 2 338.495 4.167 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1 ZINC000537456594 1047254368 /nfs/dbraw/zinc/25/43/68/1047254368.db2.gz UYROIPQFIWCURO-KSSFIOAISA-N 2 2 344.890 4.048 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120194 1047472389 /nfs/dbraw/zinc/47/23/89/1047472389.db2.gz LMGTZECDBPDIPU-VHFSOBRXSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120194 1047472404 /nfs/dbraw/zinc/47/24/04/1047472404.db2.gz LMGTZECDBPDIPU-VHFSOBRXSA-N 2 2 330.422 4.451 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000131230938 1047842572 /nfs/dbraw/zinc/84/25/72/1047842572.db2.gz KXKKAZYKKNHGNE-ZDUSSCGKSA-N 2 2 344.421 4.198 20 0 EIADLP CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000814300038 1047967512 /nfs/dbraw/zinc/96/75/12/1047967512.db2.gz GDJCQXIKCAGACM-IYARVYRRSA-N 2 2 329.532 4.280 20 0 EIADLP C[NH+](C)CC1CC[NH+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001143798370 1048210988 /nfs/dbraw/zinc/21/09/88/1048210988.db2.gz MJDJHUFQMKXSFO-UHFFFAOYSA-N 2 2 335.706 4.420 20 0 EIADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132176673 1048218762 /nfs/dbraw/zinc/21/87/62/1048218762.db2.gz UYRKWCPWZAITDV-SFHVURJKSA-N 2 2 349.478 4.142 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000132212484 1048226471 /nfs/dbraw/zinc/22/64/71/1048226471.db2.gz YHWNGGIFZAFNJH-MRXNPFEDSA-N 2 2 339.870 4.478 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cc(Cl)ccc3C2)cc1 ZINC001171113874 1048248628 /nfs/dbraw/zinc/24/86/28/1048248628.db2.gz XCQHPYODGOFLSQ-IBGZPJMESA-N 2 2 337.854 4.392 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cc(Cl)ccc3C2)c1 ZINC001171113981 1048254847 /nfs/dbraw/zinc/25/48/47/1048254847.db2.gz YAWUABLPFKHJTF-IBGZPJMESA-N 2 2 337.854 4.392 20 0 EIADLP Cc1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1C(F)(F)F ZINC001143929860 1048297335 /nfs/dbraw/zinc/29/73/35/1048297335.db2.gz CZDGPFOZIQKOJB-MRXNPFEDSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1C(F)(F)F ZINC001143929860 1048297344 /nfs/dbraw/zinc/29/73/44/1048297344.db2.gz CZDGPFOZIQKOJB-MRXNPFEDSA-N 2 2 336.357 4.062 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)cc1 ZINC000815584262 1048523615 /nfs/dbraw/zinc/52/36/15/1048523615.db2.gz ZHKOAUPFXPKDOK-NRFANRHFSA-N 2 2 341.543 4.424 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000809764065 1048525678 /nfs/dbraw/zinc/52/56/78/1048525678.db2.gz GPDNUZMUWNMZSS-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000809764065 1048525691 /nfs/dbraw/zinc/52/56/91/1048525691.db2.gz GPDNUZMUWNMZSS-UHFFFAOYSA-N 2 2 343.902 4.140 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815649923 1048572108 /nfs/dbraw/zinc/57/21/08/1048572108.db2.gz CGCKFFSCCZHANO-ZBFHGGJFSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815649923 1048572128 /nfs/dbraw/zinc/57/21/28/1048572128.db2.gz CGCKFFSCCZHANO-ZBFHGGJFSA-N 2 2 348.412 4.104 20 0 EIADLP CNc1ccc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c[nH+]1 ZINC001170590895 1048585676 /nfs/dbraw/zinc/58/56/76/1048585676.db2.gz ZXIQWPDCMSXEMR-OAHLLOKOSA-N 2 2 339.270 4.145 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171172752 1048628884 /nfs/dbraw/zinc/62/88/84/1048628884.db2.gz RUKOXVZMFJPEDS-HNNXBMFYSA-N 2 2 338.282 4.069 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171172752 1048628897 /nfs/dbraw/zinc/62/88/97/1048628897.db2.gz RUKOXVZMFJPEDS-HNNXBMFYSA-N 2 2 338.282 4.069 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3nc(Cl)ccc23)C2CCCC2)CC1 ZINC001144418690 1048661041 /nfs/dbraw/zinc/66/10/41/1048661041.db2.gz MQSIKWVOTVKPOU-UHFFFAOYSA-N 2 2 346.906 4.055 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3nc(Cl)ccc23)C2CCCC2)CC1 ZINC001144418690 1048661052 /nfs/dbraw/zinc/66/10/52/1048661052.db2.gz MQSIKWVOTVKPOU-UHFFFAOYSA-N 2 2 346.906 4.055 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nccc2ccccc21 ZINC000810212192 1048708580 /nfs/dbraw/zinc/70/85/80/1048708580.db2.gz NPOSHWLTRHUKLR-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP CC[N@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001144690374 1048793105 /nfs/dbraw/zinc/79/31/05/1048793105.db2.gz LYWYGKNJGNYUNH-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP CC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001144690374 1048793118 /nfs/dbraw/zinc/79/31/18/1048793118.db2.gz LYWYGKNJGNYUNH-UHFFFAOYSA-N 2 2 345.712 4.019 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135133360 1049073770 /nfs/dbraw/zinc/07/37/70/1049073770.db2.gz BYKHVGUMDTWALO-UHFFFAOYSA-N 2 2 345.712 4.065 20 0 EIADLP [NH3+]Cc1ccc2cn(-c3cc[nH+]c4ccc(C(F)(F)F)cc43)nc2c1 ZINC001171324151 1049285483 /nfs/dbraw/zinc/28/54/83/1049285483.db2.gz BCBLXJXECUYFLU-UHFFFAOYSA-N 2 2 342.324 4.051 20 0 EIADLP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2ccon2)c2ccc(F)cc2)CC1 ZINC000812720961 1049548492 /nfs/dbraw/zinc/54/84/92/1049548492.db2.gz IIXMTHLBFKYBNS-HXUWFJFHSA-N 2 2 345.462 4.157 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H]1C ZINC000812841590 1049605826 /nfs/dbraw/zinc/60/58/26/1049605826.db2.gz CRCVXRMXNNYCLM-ZIFCJYIRSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H]1C ZINC000812841588 1049606941 /nfs/dbraw/zinc/60/69/41/1049606941.db2.gz CRCVXRMXNNYCLM-LMMKCTJWSA-N 2 2 329.532 4.136 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)c(F)cc3C2)c1 ZINC001171474314 1049729411 /nfs/dbraw/zinc/72/94/11/1049729411.db2.gz VKMXOTHLGSNVCC-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(-c3ccccc3)no2)CC1(C)C ZINC001171620223 1049766629 /nfs/dbraw/zinc/76/66/29/1049766629.db2.gz ZQSIFECVINRLEI-UHFFFAOYSA-N 2 2 327.472 4.083 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCOc3cc(F)cc(F)c32)CC1(C)C ZINC001171624356 1049767695 /nfs/dbraw/zinc/76/76/95/1049767695.db2.gz RUOZCPUZRWHFHI-HNNXBMFYSA-N 2 2 338.442 4.029 20 0 EIADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001171692382 1049788032 /nfs/dbraw/zinc/78/80/32/1049788032.db2.gz CXFOOCKNGYAZKT-KRWDZBQOSA-N 2 2 338.923 4.390 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001171692382 1049788039 /nfs/dbraw/zinc/78/80/39/1049788039.db2.gz CXFOOCKNGYAZKT-KRWDZBQOSA-N 2 2 338.923 4.390 20 0 EIADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001171692383 1049788860 /nfs/dbraw/zinc/78/88/60/1049788860.db2.gz CXFOOCKNGYAZKT-QGZVFWFLSA-N 2 2 338.923 4.390 20 0 EIADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001171692383 1049788865 /nfs/dbraw/zinc/78/88/65/1049788865.db2.gz CXFOOCKNGYAZKT-QGZVFWFLSA-N 2 2 338.923 4.390 20 0 EIADLP CC[N@@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)C1 ZINC000245609705 1049798569 /nfs/dbraw/zinc/79/85/69/1049798569.db2.gz UNCFTADKSSJWGG-OXJNMPFZSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@@H](C)C1 ZINC000245609705 1049798582 /nfs/dbraw/zinc/79/85/82/1049798582.db2.gz UNCFTADKSSJWGG-OXJNMPFZSA-N 2 2 338.499 4.029 20 0 EIADLP CC1(C)C[C@H]([NH2+]C2(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171973328 1049836195 /nfs/dbraw/zinc/83/61/95/1049836195.db2.gz XRUYAXGLRVUXED-LJQANCHMSA-N 2 2 335.495 4.104 20 0 EIADLP CC1(C)C[C@H]([NH2+]C2(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171973328 1049836196 /nfs/dbraw/zinc/83/61/96/1049836196.db2.gz XRUYAXGLRVUXED-LJQANCHMSA-N 2 2 335.495 4.104 20 0 EIADLP CC(C)([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171975970 1049837739 /nfs/dbraw/zinc/83/77/39/1049837739.db2.gz OFTLBQPBLHBJIW-LJQANCHMSA-N 2 2 337.511 4.350 20 0 EIADLP CC(C)([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171975970 1049837743 /nfs/dbraw/zinc/83/77/43/1049837743.db2.gz OFTLBQPBLHBJIW-LJQANCHMSA-N 2 2 337.511 4.350 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984884 1049840523 /nfs/dbraw/zinc/84/05/23/1049840523.db2.gz YNMJKHVKGJWVPF-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984884 1049840524 /nfs/dbraw/zinc/84/05/24/1049840524.db2.gz YNMJKHVKGJWVPF-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2(c4ccccn4)CC2)C3)cc1 ZINC001172066455 1049850871 /nfs/dbraw/zinc/85/08/71/1049850871.db2.gz WZFKPXHPCAGJGL-WKCHPHFGSA-N 2 2 347.506 4.246 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2(c4ccccn4)CC2)C3)cc1 ZINC001172066455 1049850877 /nfs/dbraw/zinc/85/08/77/1049850877.db2.gz WZFKPXHPCAGJGL-WKCHPHFGSA-N 2 2 347.506 4.246 20 0 EIADLP CC(C)OCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172435161 1049898869 /nfs/dbraw/zinc/89/88/69/1049898869.db2.gz YNEMAHXLGFRMEG-IOMROCGXSA-N 2 2 326.484 4.221 20 0 EIADLP CC(C)COCC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172472313 1049908498 /nfs/dbraw/zinc/90/84/98/1049908498.db2.gz IPGTULJYGLHITA-IBGZPJMESA-N 2 2 332.532 4.034 20 0 EIADLP CC(C)COCC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172472313 1049908505 /nfs/dbraw/zinc/90/85/05/1049908505.db2.gz IPGTULJYGLHITA-IBGZPJMESA-N 2 2 332.532 4.034 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246940970 1050006305 /nfs/dbraw/zinc/00/63/05/1050006305.db2.gz HQWWCOATECSGQT-YOUFYPILSA-N 2 2 329.532 4.096 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246940970 1050006310 /nfs/dbraw/zinc/00/63/10/1050006310.db2.gz HQWWCOATECSGQT-YOUFYPILSA-N 2 2 329.532 4.096 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC001177231183 1050168328 /nfs/dbraw/zinc/16/83/28/1050168328.db2.gz FAYPJCXPWRQZLM-CYBMUJFWSA-N 2 2 331.872 4.443 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172863286 1050201351 /nfs/dbraw/zinc/20/13/51/1050201351.db2.gz HZPNMGBLFKVUMG-OAHLLOKOSA-N 2 2 338.898 4.360 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870988 1050209730 /nfs/dbraw/zinc/20/97/30/1050209730.db2.gz GKEXYULAYWULSX-WMLDXEAASA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172870988 1050209741 /nfs/dbraw/zinc/20/97/41/1050209741.db2.gz GKEXYULAYWULSX-WMLDXEAASA-N 2 2 348.849 4.267 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172878754 1050219409 /nfs/dbraw/zinc/21/94/09/1050219409.db2.gz KDTXSAMWLQMLLE-GOEBONIOSA-N 2 2 338.948 4.427 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172878754 1050219419 /nfs/dbraw/zinc/21/94/19/1050219419.db2.gz KDTXSAMWLQMLLE-GOEBONIOSA-N 2 2 338.948 4.427 20 0 EIADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001177441797 1050220147 /nfs/dbraw/zinc/22/01/47/1050220147.db2.gz IFHDVALLJUBZOC-BHDDXSALSA-N 2 2 344.543 4.397 20 0 EIADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070293 1050223714 /nfs/dbraw/zinc/22/37/14/1050223714.db2.gz OSIAVZXHKLXMPC-DOTOQJQBSA-N 2 2 328.504 4.117 20 0 EIADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070293 1050223728 /nfs/dbraw/zinc/22/37/28/1050223728.db2.gz OSIAVZXHKLXMPC-DOTOQJQBSA-N 2 2 328.504 4.117 20 0 EIADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000091262003 1050245012 /nfs/dbraw/zinc/24/50/12/1050245012.db2.gz JMELGKYBYOCZRR-MRXNPFEDSA-N 2 2 325.378 4.279 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091311912 1050253576 /nfs/dbraw/zinc/25/35/76/1050253576.db2.gz XINIPCLYEXTJAL-AWEZNQCLSA-N 2 2 348.922 4.142 20 0 EIADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)C(C)(C)C ZINC001177822535 1050298352 /nfs/dbraw/zinc/29/83/52/1050298352.db2.gz LUFVJOVANISCQE-KRWDZBQOSA-N 2 2 331.529 4.266 20 0 EIADLP CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236841998 1050327971 /nfs/dbraw/zinc/32/79/71/1050327971.db2.gz BRTFOZOICXSMRB-NSHDSACASA-N 2 2 335.706 4.468 20 0 EIADLP CCC[N@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236841998 1050327984 /nfs/dbraw/zinc/32/79/84/1050327984.db2.gz BRTFOZOICXSMRB-NSHDSACASA-N 2 2 335.706 4.468 20 0 EIADLP CCc1ccc(C[C@@H](C)N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001173248175 1050377262 /nfs/dbraw/zinc/37/72/62/1050377262.db2.gz SESWOMJUKHTWDR-GOSISDBHSA-N 2 2 337.511 4.142 20 0 EIADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001173263854 1050387489 /nfs/dbraw/zinc/38/74/89/1050387489.db2.gz XAUAEHVGKWWTOD-QHAWAJNXSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001173263854 1050387501 /nfs/dbraw/zinc/38/75/01/1050387501.db2.gz XAUAEHVGKWWTOD-QHAWAJNXSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001173263854 1050387514 /nfs/dbraw/zinc/38/75/14/1050387514.db2.gz XAUAEHVGKWWTOD-QHAWAJNXSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001173263854 1050387525 /nfs/dbraw/zinc/38/75/25/1050387525.db2.gz XAUAEHVGKWWTOD-QHAWAJNXSA-N 2 2 329.532 4.050 20 0 EIADLP COCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001178276577 1050426634 /nfs/dbraw/zinc/42/66/34/1050426634.db2.gz XTJFWSHCDUXOBZ-JOCHJYFZSA-N 2 2 349.478 4.177 20 0 EIADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC001178276626 1050427093 /nfs/dbraw/zinc/42/70/93/1050427093.db2.gz ZSWIEDARBGWGCH-NRFANRHFSA-N 2 2 335.451 4.040 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001178462794 1050477674 /nfs/dbraw/zinc/47/76/74/1050477674.db2.gz KAQJKTUCRRZIDN-CYBMUJFWSA-N 2 2 345.314 4.356 20 0 EIADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCOc1cc[nH+]cc1 ZINC001173546752 1050479484 /nfs/dbraw/zinc/47/94/84/1050479484.db2.gz LIOMTVZMEIJMHN-ZDUSSCGKSA-N 2 2 339.266 4.378 20 0 EIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001179082374 1050627053 /nfs/dbraw/zinc/62/70/53/1050627053.db2.gz YCADUGLGMDIKSN-UHFFFAOYSA-N 2 2 346.346 4.127 20 0 EIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001179082374 1050627059 /nfs/dbraw/zinc/62/70/59/1050627059.db2.gz YCADUGLGMDIKSN-UHFFFAOYSA-N 2 2 346.346 4.127 20 0 EIADLP CC[N@@H+](Cc1sccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564665 1050634093 /nfs/dbraw/zinc/63/40/93/1050634093.db2.gz YTZGCRVQYSPIRD-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP CC[N@H+](Cc1sccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564665 1050634100 /nfs/dbraw/zinc/63/41/00/1050634100.db2.gz YTZGCRVQYSPIRD-UHFFFAOYSA-N 2 2 329.513 4.190 20 0 EIADLP c1cc(Nc2ccc([NH+]3CCCCC3)cc2N2CCCCC2)cc[nH+]1 ZINC001173882805 1050637469 /nfs/dbraw/zinc/63/74/69/1050637469.db2.gz VHGHFOGKZSERNM-UHFFFAOYSA-N 2 2 336.483 4.228 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644342 1050647653 /nfs/dbraw/zinc/64/76/53/1050647653.db2.gz CVPGUDYOJFUGJV-WBVHZDCISA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644342 1050647657 /nfs/dbraw/zinc/64/76/57/1050647657.db2.gz CVPGUDYOJFUGJV-WBVHZDCISA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644342 1050647663 /nfs/dbraw/zinc/64/76/63/1050647663.db2.gz CVPGUDYOJFUGJV-WBVHZDCISA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644342 1050647671 /nfs/dbraw/zinc/64/76/71/1050647671.db2.gz CVPGUDYOJFUGJV-WBVHZDCISA-N 2 2 330.447 4.309 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC001179232853 1050656213 /nfs/dbraw/zinc/65/62/13/1050656213.db2.gz VZTABKZKBSERLN-OAQYLSRUSA-N 2 2 342.446 4.042 20 0 EIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c(C)c1 ZINC001179636621 1050744410 /nfs/dbraw/zinc/74/44/10/1050744410.db2.gz IYFKWWRIEYUVCU-PYHFOVLWSA-N 2 2 337.511 4.303 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)sc1Cl ZINC000152771694 1050849332 /nfs/dbraw/zinc/84/93/32/1050849332.db2.gz SEFXTPJXHJSSSV-JTQLQIEISA-N 2 2 344.311 4.481 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001180289032 1050954459 /nfs/dbraw/zinc/95/44/59/1050954459.db2.gz QCYKNXSYYPOAEJ-SJLPKXTDSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001180289032 1050954484 /nfs/dbraw/zinc/95/44/84/1050954484.db2.gz QCYKNXSYYPOAEJ-SJLPKXTDSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289032 1050954503 /nfs/dbraw/zinc/95/45/03/1050954503.db2.gz QCYKNXSYYPOAEJ-SJLPKXTDSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289032 1050954521 /nfs/dbraw/zinc/95/45/21/1050954521.db2.gz QCYKNXSYYPOAEJ-SJLPKXTDSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775369042 1051133202 /nfs/dbraw/zinc/13/32/02/1051133202.db2.gz IFJGQPUFEVIZIA-BLLLJJGKSA-N 2 2 337.439 4.254 20 0 EIADLP CC[N@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001190572316 1051218298 /nfs/dbraw/zinc/21/82/98/1051218298.db2.gz UXRNQDDNZUVYIB-UHFFFAOYSA-N 2 2 325.481 4.307 20 0 EIADLP CC[N@@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001190572316 1051218301 /nfs/dbraw/zinc/21/83/01/1051218301.db2.gz UXRNQDDNZUVYIB-UHFFFAOYSA-N 2 2 325.481 4.307 20 0 EIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436382 1051237589 /nfs/dbraw/zinc/23/75/89/1051237589.db2.gz QQDBZWKOGKLDIJ-WMLDXEAASA-N 2 2 342.449 4.346 20 0 EIADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436382 1051237599 /nfs/dbraw/zinc/23/75/99/1051237599.db2.gz QQDBZWKOGKLDIJ-WMLDXEAASA-N 2 2 342.449 4.346 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCCC2)CCOCC1)c1ccccc1 ZINC000153995655 1051255823 /nfs/dbraw/zinc/25/58/23/1051255823.db2.gz KVRMTWGERBGKRJ-QZTJIDSGSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCCC2)CCOCC1)c1ccccc1 ZINC000153995450 1051256812 /nfs/dbraw/zinc/25/68/12/1051256812.db2.gz KVRMTWGERBGKRJ-ZWKOTPCHSA-N 2 2 330.516 4.055 20 0 EIADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CCC1CCCCCC1 ZINC001182355922 1051523034 /nfs/dbraw/zinc/52/30/34/1051523034.db2.gz HGZNCCFFFCGBLC-UHFFFAOYSA-N 2 2 334.504 4.408 20 0 EIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC001182845778 1051717170 /nfs/dbraw/zinc/71/71/70/1051717170.db2.gz WVHHDKHHISBSTN-IIBYNOLFSA-N 2 2 327.516 4.415 20 0 EIADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065145 1051781445 /nfs/dbraw/zinc/78/14/45/1051781445.db2.gz HEVHBOSZTXDXDN-KSSFIOAISA-N 2 2 347.453 4.065 20 0 EIADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065145 1051781458 /nfs/dbraw/zinc/78/14/58/1051781458.db2.gz HEVHBOSZTXDXDN-KSSFIOAISA-N 2 2 347.453 4.065 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146657 1051793917 /nfs/dbraw/zinc/79/39/17/1051793917.db2.gz ZNYRWJRWJNPVEA-PVAVHDDUSA-N 2 2 326.406 4.025 20 0 EIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183146657 1051793930 /nfs/dbraw/zinc/79/39/30/1051793930.db2.gz ZNYRWJRWJNPVEA-PVAVHDDUSA-N 2 2 326.406 4.025 20 0 EIADLP CC(C)c1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997361 1051803569 /nfs/dbraw/zinc/80/35/69/1051803569.db2.gz KNIWRHUSJMSJET-IRXDYDNUSA-N 2 2 348.535 4.231 20 0 EIADLP CC(C)c1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158997361 1051803581 /nfs/dbraw/zinc/80/35/81/1051803581.db2.gz KNIWRHUSJMSJET-IRXDYDNUSA-N 2 2 348.535 4.231 20 0 EIADLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc2ccccc21 ZINC001183225747 1051808030 /nfs/dbraw/zinc/80/80/30/1051808030.db2.gz ANXOMIZHFIXEKK-UHFFFAOYSA-N 2 2 338.495 4.299 20 0 EIADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371173 1051838256 /nfs/dbraw/zinc/83/82/56/1051838256.db2.gz OIORMRAFKZYFKZ-GHTZIAJQSA-N 2 2 338.520 4.364 20 0 EIADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371173 1051838261 /nfs/dbraw/zinc/83/82/61/1051838261.db2.gz OIORMRAFKZYFKZ-GHTZIAJQSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371173 1051838264 /nfs/dbraw/zinc/83/82/64/1051838264.db2.gz OIORMRAFKZYFKZ-GHTZIAJQSA-N 2 2 338.520 4.364 20 0 EIADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Sc4ccccc4)cc3)CC[C@H]21 ZINC001183371173 1051838268 /nfs/dbraw/zinc/83/82/68/1051838268.db2.gz OIORMRAFKZYFKZ-GHTZIAJQSA-N 2 2 338.520 4.364 20 0 EIADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001183740366 1051892731 /nfs/dbraw/zinc/89/27/31/1051892731.db2.gz NJJOMPMOJXOMLR-SFHVURJKSA-N 2 2 332.532 4.082 20 0 EIADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001183740366 1051892734 /nfs/dbraw/zinc/89/27/34/1051892734.db2.gz NJJOMPMOJXOMLR-SFHVURJKSA-N 2 2 332.532 4.082 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(Cl)c1 ZINC001193392985 1051915970 /nfs/dbraw/zinc/91/59/70/1051915970.db2.gz QTVSXLVFMTTYNN-UHFFFAOYSA-N 2 2 329.806 4.297 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(Cl)c1 ZINC001193392985 1051915980 /nfs/dbraw/zinc/91/59/80/1051915980.db2.gz QTVSXLVFMTTYNN-UHFFFAOYSA-N 2 2 329.806 4.297 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000163324482 1051985036 /nfs/dbraw/zinc/98/50/36/1051985036.db2.gz CKKBVTHLEMNGMQ-HNNXBMFYSA-N 2 2 334.479 4.282 20 0 EIADLP CC(C)c1cc(NC[C@@H](c2ccccc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001184556964 1052040448 /nfs/dbraw/zinc/04/04/48/1052040448.db2.gz XHTHXGCPMOBUER-SFHVURJKSA-N 2 2 326.488 4.438 20 0 EIADLP CCc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001177033718 1052213043 /nfs/dbraw/zinc/21/30/43/1052213043.db2.gz QUWPCLMQACCGKU-UHFFFAOYSA-N 2 2 331.463 4.301 20 0 EIADLP CCc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC001177033718 1052213057 /nfs/dbraw/zinc/21/30/57/1052213057.db2.gz QUWPCLMQACCGKU-UHFFFAOYSA-N 2 2 331.463 4.301 20 0 EIADLP C[N@@H+]1C[C@]23C[NH+](Cc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001177007626 1052216575 /nfs/dbraw/zinc/21/65/75/1052216575.db2.gz BMJAORLQSVCNIX-HDICACEKSA-N 2 2 338.417 4.013 20 0 EIADLP C[N@H+]1C[C@]23C[NH+](Cc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001177007626 1052216586 /nfs/dbraw/zinc/21/65/86/1052216586.db2.gz BMJAORLQSVCNIX-HDICACEKSA-N 2 2 338.417 4.013 20 0 EIADLP C[NH+]1C[C@]23C[N@H+](Cc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001177007626 1052216599 /nfs/dbraw/zinc/21/65/99/1052216599.db2.gz BMJAORLQSVCNIX-HDICACEKSA-N 2 2 338.417 4.013 20 0 EIADLP C[NH+]1C[C@]23C[N@@H+](Cc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001177007626 1052216611 /nfs/dbraw/zinc/21/66/11/1052216611.db2.gz BMJAORLQSVCNIX-HDICACEKSA-N 2 2 338.417 4.013 20 0 EIADLP c1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c[nH]1 ZINC000175706533 1052589227 /nfs/dbraw/zinc/58/92/27/1052589227.db2.gz ULLCRODXBHJRSD-UHFFFAOYSA-N 2 2 342.446 4.216 20 0 EIADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410379 1052648771 /nfs/dbraw/zinc/64/87/71/1052648771.db2.gz MNRRDIDTZGHBGJ-NQIIRXRSSA-N 2 2 338.495 4.247 20 0 EIADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623410379 1052648780 /nfs/dbraw/zinc/64/87/80/1052648780.db2.gz MNRRDIDTZGHBGJ-NQIIRXRSSA-N 2 2 338.495 4.247 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000180423992 1052800151 /nfs/dbraw/zinc/80/01/51/1052800151.db2.gz FUXRTBZFAITBMS-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000180423992 1052800154 /nfs/dbraw/zinc/80/01/54/1052800154.db2.gz FUXRTBZFAITBMS-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423992 1052800155 /nfs/dbraw/zinc/80/01/55/1052800155.db2.gz FUXRTBZFAITBMS-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423992 1052800160 /nfs/dbraw/zinc/80/01/60/1052800160.db2.gz FUXRTBZFAITBMS-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)[C@H]1c1cccs1 ZINC000623898722 1052832769 /nfs/dbraw/zinc/83/27/69/1052832769.db2.gz PBOOQDKGLIDODP-LBTNJELSSA-N 2 2 347.553 4.255 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)[C@H]1c1cccs1 ZINC000623898722 1052832774 /nfs/dbraw/zinc/83/27/74/1052832774.db2.gz PBOOQDKGLIDODP-LBTNJELSSA-N 2 2 347.553 4.255 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000624188914 1052886473 /nfs/dbraw/zinc/88/64/73/1052886473.db2.gz LWYIQNAUKCXNPT-PBHICJAKSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000624188914 1052886477 /nfs/dbraw/zinc/88/64/77/1052886477.db2.gz LWYIQNAUKCXNPT-PBHICJAKSA-N 2 2 334.529 4.085 20 0 EIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182372850 1052929103 /nfs/dbraw/zinc/92/91/03/1052929103.db2.gz YIPKSLJBQLWQHS-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1OC(F)F ZINC000325113003 1052943638 /nfs/dbraw/zinc/94/36/38/1052943638.db2.gz IJDMBLFIRBVACO-CZUORRHYSA-N 2 2 337.414 4.250 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000183220468 1052967131 /nfs/dbraw/zinc/96/71/31/1052967131.db2.gz MCQVFFVJEUMRPV-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000764743376 1053285106 /nfs/dbraw/zinc/28/51/06/1053285106.db2.gz NETMVYNTNRTSNO-HSZRJFAPSA-N 2 2 349.522 4.462 20 0 EIADLP COc1cc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)ccc1C ZINC001202513760 1053316951 /nfs/dbraw/zinc/31/69/51/1053316951.db2.gz RJCZYZGQLBSZQR-UHFFFAOYSA-N 2 2 338.495 4.148 20 0 EIADLP COc1cc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)ccc1C ZINC001202513760 1053316964 /nfs/dbraw/zinc/31/69/64/1053316964.db2.gz RJCZYZGQLBSZQR-UHFFFAOYSA-N 2 2 338.495 4.148 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000765247643 1053475795 /nfs/dbraw/zinc/47/57/95/1053475795.db2.gz BKVJGLLWAMKQDK-WBVHZDCISA-N 2 2 333.476 4.264 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000765252873 1053479642 /nfs/dbraw/zinc/47/96/42/1053479642.db2.gz SSKPKEIZLNWHAZ-DYVFJYSZSA-N 2 2 335.879 4.311 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865485432 1053522323 /nfs/dbraw/zinc/52/23/23/1053522323.db2.gz WPISTPMRSRIJRC-PBHICJAKSA-N 2 2 347.865 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000865485432 1053522334 /nfs/dbraw/zinc/52/23/34/1053522334.db2.gz WPISTPMRSRIJRC-PBHICJAKSA-N 2 2 347.865 4.017 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000121014218 1053693767 /nfs/dbraw/zinc/69/37/67/1053693767.db2.gz SCPZOCKDADWMIR-CVDCTZTESA-N 2 2 349.522 4.115 20 0 EIADLP c1cc(C2CCCC2)ccc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001196631722 1053718135 /nfs/dbraw/zinc/71/81/35/1053718135.db2.gz HZACHJFPNSLGHO-UHFFFAOYSA-N 2 2 342.527 4.031 20 0 EIADLP c1cc(C2CCCC2)ccc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001196631722 1053718145 /nfs/dbraw/zinc/71/81/45/1053718145.db2.gz HZACHJFPNSLGHO-UHFFFAOYSA-N 2 2 342.527 4.031 20 0 EIADLP Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000776767377 1053862356 /nfs/dbraw/zinc/86/23/56/1053862356.db2.gz XICVDVOSMDQVQE-QGZVFWFLSA-N 2 2 341.499 4.175 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921608617 1053905539 /nfs/dbraw/zinc/90/55/39/1053905539.db2.gz VMMHBSHIWVNZQO-UHFFFAOYSA-N 2 2 329.488 4.102 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921608617 1053905558 /nfs/dbraw/zinc/90/55/58/1053905558.db2.gz VMMHBSHIWVNZQO-UHFFFAOYSA-N 2 2 329.488 4.102 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122337799 1053942907 /nfs/dbraw/zinc/94/29/07/1053942907.db2.gz GKKGXCJKMMXMCK-MRXNPFEDSA-N 2 2 343.540 4.442 20 0 EIADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000173334923 1054062160 /nfs/dbraw/zinc/06/21/60/1054062160.db2.gz WNWMHQGSDGCYDP-CQSZACIVSA-N 2 2 338.480 4.148 20 0 EIADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC001198901019 1054292779 /nfs/dbraw/zinc/29/27/79/1054292779.db2.gz OGUMCLBCHZDMQR-DHIUTWEWSA-N 2 2 334.507 4.361 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000858337893 1054465774 /nfs/dbraw/zinc/46/57/74/1054465774.db2.gz OJMHYJBYBZZIOS-MRXNPFEDSA-N 2 2 335.904 4.025 20 0 EIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214876 1054644792 /nfs/dbraw/zinc/64/47/92/1054644792.db2.gz QCTMYVBKKFEFND-HNNXBMFYSA-N 2 2 329.488 4.227 20 0 EIADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214876 1054644813 /nfs/dbraw/zinc/64/48/13/1054644813.db2.gz QCTMYVBKKFEFND-HNNXBMFYSA-N 2 2 329.488 4.227 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(Cl)cc2Cl)cc1 ZINC000859211868 1054645482 /nfs/dbraw/zinc/64/54/82/1054645482.db2.gz GUOHLXHBVJAUDA-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(Cl)cc2Cl)cc1 ZINC000859211868 1054645515 /nfs/dbraw/zinc/64/55/15/1054645515.db2.gz GUOHLXHBVJAUDA-UHFFFAOYSA-N 2 2 338.282 4.082 20 0 EIADLP C1=CC[C@@H](C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423663 1054794534 /nfs/dbraw/zinc/79/45/34/1054794534.db2.gz QYDBCPBPEKXCHG-SGCGGLILSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@@H](C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423663 1054794548 /nfs/dbraw/zinc/79/45/48/1054794548.db2.gz QYDBCPBPEKXCHG-SGCGGLILSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423663 1054794563 /nfs/dbraw/zinc/79/45/63/1054794563.db2.gz QYDBCPBPEKXCHG-SGCGGLILSA-N 2 2 326.528 4.238 20 0 EIADLP C1=CC[C@@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001201423663 1054794577 /nfs/dbraw/zinc/79/45/77/1054794577.db2.gz QYDBCPBPEKXCHG-SGCGGLILSA-N 2 2 326.528 4.238 20 0 EIADLP Clc1ccc2sc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2n1 ZINC000876620212 1054939772 /nfs/dbraw/zinc/93/97/72/1054939772.db2.gz LNBIVIGNLZLAOC-NSHDSACASA-N 2 2 332.860 4.052 20 0 EIADLP Clc1ccc2sc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2n1 ZINC000876620212 1054939777 /nfs/dbraw/zinc/93/97/77/1054939777.db2.gz LNBIVIGNLZLAOC-NSHDSACASA-N 2 2 332.860 4.052 20 0 EIADLP C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876920945 1054983996 /nfs/dbraw/zinc/98/39/96/1054983996.db2.gz GMYPFJWFXYKYLZ-LJQANCHMSA-N 2 2 349.478 4.016 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccns1 ZINC000877659442 1055101433 /nfs/dbraw/zinc/10/14/33/1055101433.db2.gz SCQYPBLABBJNKZ-ZVZYQTTQSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccns1 ZINC000877659442 1055101434 /nfs/dbraw/zinc/10/14/34/1055101434.db2.gz SCQYPBLABBJNKZ-ZVZYQTTQSA-N 2 2 327.497 4.162 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)nc2ccccc12 ZINC000429552520 1055139255 /nfs/dbraw/zinc/13/92/55/1055139255.db2.gz YEEVZKHYOORZEK-HNNXBMFYSA-N 2 2 331.891 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)nc2ccccc12 ZINC000429552520 1055139262 /nfs/dbraw/zinc/13/92/62/1055139262.db2.gz YEEVZKHYOORZEK-HNNXBMFYSA-N 2 2 331.891 4.113 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411519 1055295537 /nfs/dbraw/zinc/29/55/37/1055295537.db2.gz LHUJNKKRVBAIKM-CHWSQXEVSA-N 2 2 330.394 4.041 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411519 1055295548 /nfs/dbraw/zinc/29/55/48/1055295548.db2.gz LHUJNKKRVBAIKM-CHWSQXEVSA-N 2 2 330.394 4.041 20 0 EIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1scnc1Cl ZINC000878423775 1055306962 /nfs/dbraw/zinc/30/69/62/1055306962.db2.gz UBURLECLFQZXKS-ZIAGYGMSSA-N 2 2 349.931 4.043 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)CCC2 ZINC000354475856 1056516662 /nfs/dbraw/zinc/51/66/62/1056516662.db2.gz LJFGUNYLWYRWEE-YHNBSYBMSA-N 2 2 343.437 4.416 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392216 1058591300 /nfs/dbraw/zinc/59/13/00/1058591300.db2.gz NRFJALBMQZLOQI-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1Cl ZINC001169216696 1060697040 /nfs/dbraw/zinc/69/70/40/1060697040.db2.gz KSJAFFMSKLLECW-UHFFFAOYSA-N 2 2 347.890 4.238 20 0 EIADLP Cc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc12 ZINC001169416750 1060808659 /nfs/dbraw/zinc/80/86/59/1060808659.db2.gz JLQTVXZUJKUXTO-HXUWFJFHSA-N 2 2 345.490 4.293 20 0 EIADLP Cc1ccc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc12 ZINC001169416750 1060808660 /nfs/dbraw/zinc/80/86/60/1060808660.db2.gz JLQTVXZUJKUXTO-HXUWFJFHSA-N 2 2 345.490 4.293 20 0 EIADLP Cc1cccc(Cl)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001169780521 1060963308 /nfs/dbraw/zinc/96/33/08/1060963308.db2.gz MQCQRYJLHZGVHW-UHFFFAOYSA-N 2 2 330.859 4.395 20 0 EIADLP C[NH+](C)CC1CCN(c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001165045647 721949830 /nfs/dbraw/zinc/94/98/30/721949830.db2.gz UDJIIBMOOORPKE-UHFFFAOYSA-N 2 2 341.524 4.152 20 0 EIADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCO1 ZINC000648431649 1032296636 /nfs/dbraw/zinc/29/66/36/1032296636.db2.gz UDPRHWHXHQTSED-NJDAHSKKSA-N 2 2 330.516 4.007 20 0 EIADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760609 1032301427 /nfs/dbraw/zinc/30/14/27/1032301427.db2.gz QRVWJJMUMKRDAH-RDJZCZTQSA-N 2 2 329.513 4.308 20 0 EIADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760609 1032301435 /nfs/dbraw/zinc/30/14/35/1032301435.db2.gz QRVWJJMUMKRDAH-RDJZCZTQSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760609 1032301446 /nfs/dbraw/zinc/30/14/46/1032301446.db2.gz QRVWJJMUMKRDAH-RDJZCZTQSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000532760609 1032301454 /nfs/dbraw/zinc/30/14/54/1032301454.db2.gz QRVWJJMUMKRDAH-RDJZCZTQSA-N 2 2 329.513 4.308 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1Cl ZINC000177346371 1032503037 /nfs/dbraw/zinc/50/30/37/1032503037.db2.gz BHWMYAFRGIZOMF-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1Cl ZINC000177346371 1032503043 /nfs/dbraw/zinc/50/30/43/1032503043.db2.gz BHWMYAFRGIZOMF-GUXCAODWSA-N 2 2 343.902 4.296 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000512416963 1032724487 /nfs/dbraw/zinc/72/44/87/1032724487.db2.gz YBLGFOZUBHDJTB-UHFFFAOYSA-N 2 2 338.495 4.325 20 0 EIADLP Clc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203385205 1019156770 /nfs/dbraw/zinc/15/67/70/1019156770.db2.gz NDCZGJMCGIFICJ-UYAOXDASSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203385205 1019156780 /nfs/dbraw/zinc/15/67/80/1019156780.db2.gz NDCZGJMCGIFICJ-UYAOXDASSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203385205 1019156794 /nfs/dbraw/zinc/15/67/94/1019156794.db2.gz NDCZGJMCGIFICJ-UYAOXDASSA-N 2 2 340.898 4.294 20 0 EIADLP Clc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203385205 1019156812 /nfs/dbraw/zinc/15/68/12/1019156812.db2.gz NDCZGJMCGIFICJ-UYAOXDASSA-N 2 2 340.898 4.294 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(CNc3ccc(C4CCC4)c[nH+]3)sc2C1 ZINC000339574028 1019424897 /nfs/dbraw/zinc/42/48/97/1019424897.db2.gz YRYKBDNQLWNBCV-UHFFFAOYSA-N 2 2 342.512 4.184 20 0 EIADLP CC(C)[N@H+]1CCc2nc(CNc3ccc(C4CCC4)c[nH+]3)sc2C1 ZINC000339574028 1019424908 /nfs/dbraw/zinc/42/49/08/1019424908.db2.gz YRYKBDNQLWNBCV-UHFFFAOYSA-N 2 2 342.512 4.184 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000180082748 1020047107 /nfs/dbraw/zinc/04/71/07/1020047107.db2.gz JTCSNDPNZUPFSQ-JTSKRJEESA-N 2 2 331.463 4.263 20 0 EIADLP C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653568972 1020664352 /nfs/dbraw/zinc/66/43/52/1020664352.db2.gz WIHVFJRYXWTIJM-LBPRGKRZSA-N 2 2 338.282 4.279 20 0 EIADLP C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653568972 1020664363 /nfs/dbraw/zinc/66/43/63/1020664363.db2.gz WIHVFJRYXWTIJM-LBPRGKRZSA-N 2 2 338.282 4.279 20 0 EIADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121153512 1020734938 /nfs/dbraw/zinc/73/49/38/1020734938.db2.gz KFIRWYDUOZGWQM-SFHVURJKSA-N 2 2 343.352 4.067 20 0 EIADLP CCC(CC)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655703390 1020905623 /nfs/dbraw/zinc/90/56/23/1020905623.db2.gz PEKODUHNAWMHIU-MJGOQNOKSA-N 2 2 336.545 4.068 20 0 EIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655760636 1020942253 /nfs/dbraw/zinc/94/22/53/1020942253.db2.gz VXKCSUNLSBAIGU-AEFFLSMTSA-N 2 2 342.483 4.035 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000655848638 1021011908 /nfs/dbraw/zinc/01/19/08/1021011908.db2.gz JGGTYVIMANVAMM-XIRDDKMYSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000655848638 1021011917 /nfs/dbraw/zinc/01/19/17/1021011917.db2.gz JGGTYVIMANVAMM-XIRDDKMYSA-N 2 2 334.529 4.085 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000340506281 1021168499 /nfs/dbraw/zinc/16/84/99/1021168499.db2.gz KXQCLWBRCSIFCW-QGZVFWFLSA-N 2 2 327.472 4.066 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000161605325 1021485560 /nfs/dbraw/zinc/48/55/60/1021485560.db2.gz BMEXOQQRUYWXBG-LBPRGKRZSA-N 2 2 343.284 4.113 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924561871 1021562655 /nfs/dbraw/zinc/56/26/55/1021562655.db2.gz YHFOLWIKRNNGRN-GFCCVEGCSA-N 2 2 334.348 4.114 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924561871 1021562682 /nfs/dbraw/zinc/56/26/82/1021562682.db2.gz YHFOLWIKRNNGRN-GFCCVEGCSA-N 2 2 334.348 4.114 20 0 EIADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000414070213 1021789464 /nfs/dbraw/zinc/78/94/64/1021789464.db2.gz SGVMRXVSKULILC-OALUTQOASA-N 2 2 341.499 4.003 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000580258780 1021806977 /nfs/dbraw/zinc/80/69/77/1021806977.db2.gz JIWFTUOZXFJJFR-SIKLNZKXSA-N 2 2 331.463 4.357 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000580302503 1021830257 /nfs/dbraw/zinc/83/02/57/1021830257.db2.gz WXTRPZISMMDWRZ-SVFBPWRDSA-N 2 2 337.511 4.268 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155688436 1021877801 /nfs/dbraw/zinc/87/78/01/1021877801.db2.gz JQHUSTAXBSWFKZ-GFCCVEGCSA-N 2 2 346.887 4.319 20 0 EIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000414160986 1021998498 /nfs/dbraw/zinc/99/84/98/1021998498.db2.gz JSZNFLNWVLVQPR-PVAVHDDUSA-N 2 2 329.875 4.236 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3ccccc3F)o1)CCC2 ZINC000377836451 1022040101 /nfs/dbraw/zinc/04/01/01/1022040101.db2.gz ATXCJXOHFRAHRB-HNNXBMFYSA-N 2 2 339.414 4.258 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000376350775 1022259927 /nfs/dbraw/zinc/25/99/27/1022259927.db2.gz IYRRHULLBCNWLM-VQIMIIECSA-N 2 2 329.513 4.049 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000376350775 1022259956 /nfs/dbraw/zinc/25/99/56/1022259956.db2.gz IYRRHULLBCNWLM-VQIMIIECSA-N 2 2 329.513 4.049 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C)CCC2 ZINC000378182857 1022475869 /nfs/dbraw/zinc/47/58/69/1022475869.db2.gz JUCKMVAGUSUSSS-IEBWSBKVSA-N 2 2 329.463 4.065 20 0 EIADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3N3CCCCC3)cc2)c[nH+]1 ZINC000236669379 1022540901 /nfs/dbraw/zinc/54/09/01/1022540901.db2.gz RVLSTBCTCXIKTI-UHFFFAOYSA-N 2 2 346.478 4.152 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccccc1N(C)C ZINC000378339079 1022719424 /nfs/dbraw/zinc/71/94/24/1022719424.db2.gz DLHSQDOGLFXQPV-MRXNPFEDSA-N 2 2 343.540 4.129 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092389478 1022820991 /nfs/dbraw/zinc/82/09/91/1022820991.db2.gz WMYSLRHSHQABSV-MRXNPFEDSA-N 2 2 329.513 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092389478 1022820994 /nfs/dbraw/zinc/82/09/94/1022820994.db2.gz WMYSLRHSHQABSV-MRXNPFEDSA-N 2 2 329.513 4.020 20 0 EIADLP CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167454417 1023017964 /nfs/dbraw/zinc/01/79/64/1023017964.db2.gz VTGRZROEHMTAIY-QFIPXVFZSA-N 2 2 344.543 4.310 20 0 EIADLP CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167454417 1023017979 /nfs/dbraw/zinc/01/79/79/1023017979.db2.gz VTGRZROEHMTAIY-QFIPXVFZSA-N 2 2 344.543 4.310 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000417307132 1023255935 /nfs/dbraw/zinc/25/59/35/1023255935.db2.gz FFOYKMNVHYYCRJ-VDGAXYAQSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417330899 1023270679 /nfs/dbraw/zinc/27/06/79/1023270679.db2.gz VRHQLWOSWKUFOJ-ZYSHUDEJSA-N 2 2 337.492 4.275 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccc(Br)cc21 ZINC000341129827 1023291929 /nfs/dbraw/zinc/29/19/29/1023291929.db2.gz QZDNMMJGUMNNDG-KRWDZBQOSA-N 2 2 348.288 4.045 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccc(Br)cc21 ZINC000341129827 1023291936 /nfs/dbraw/zinc/29/19/36/1023291936.db2.gz QZDNMMJGUMNNDG-KRWDZBQOSA-N 2 2 348.288 4.045 20 0 EIADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000512542739 1033127306 /nfs/dbraw/zinc/12/73/06/1033127306.db2.gz UILQCDJZOATUGO-UHFFFAOYSA-N 2 2 344.499 4.302 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000341210781 1023377871 /nfs/dbraw/zinc/37/78/71/1023377871.db2.gz NVHWICZUGYPZKQ-OAHLLOKOSA-N 2 2 329.513 4.288 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000510437647 1023456329 /nfs/dbraw/zinc/45/63/29/1023456329.db2.gz ZWYPVHHXZPKIDX-UHFFFAOYSA-N 2 2 340.458 4.211 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000510437647 1023456336 /nfs/dbraw/zinc/45/63/36/1023456336.db2.gz ZWYPVHHXZPKIDX-UHFFFAOYSA-N 2 2 340.458 4.211 20 0 EIADLP C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319190736 1023473694 /nfs/dbraw/zinc/47/36/94/1023473694.db2.gz XRPAFZZVFHELTG-CYBMUJFWSA-N 2 2 331.872 4.481 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000163724601 1023502224 /nfs/dbraw/zinc/50/22/24/1023502224.db2.gz UWRRGNWXSOPISD-INIZCTEOSA-N 2 2 344.886 4.023 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390571480 1023689339 /nfs/dbraw/zinc/68/93/39/1023689339.db2.gz CDBRIKKAWXPLMM-FGTMMUONSA-N 2 2 340.433 4.362 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390571480 1023689347 /nfs/dbraw/zinc/68/93/47/1023689347.db2.gz CDBRIKKAWXPLMM-FGTMMUONSA-N 2 2 340.433 4.362 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000510470088 1023788258 /nfs/dbraw/zinc/78/82/58/1023788258.db2.gz UAISKMIDSSTVCP-UHFFFAOYSA-N 2 2 346.849 4.248 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000510470088 1023788266 /nfs/dbraw/zinc/78/82/66/1023788266.db2.gz UAISKMIDSSTVCP-UHFFFAOYSA-N 2 2 346.849 4.248 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510539188 1024006576 /nfs/dbraw/zinc/00/65/76/1024006576.db2.gz PNVDJKAQFXWZGW-LJQANCHMSA-N 2 2 347.462 4.465 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510539188 1024006589 /nfs/dbraw/zinc/00/65/89/1024006589.db2.gz PNVDJKAQFXWZGW-LJQANCHMSA-N 2 2 347.462 4.465 20 0 EIADLP CSc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660674588 1024010287 /nfs/dbraw/zinc/01/02/87/1024010287.db2.gz RTEOAFIJBTXPPZ-UHFFFAOYSA-N 2 2 326.509 4.163 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549523869 1024118864 /nfs/dbraw/zinc/11/88/64/1024118864.db2.gz YWZWGBUXEDMORZ-WTNAPCKOSA-N 2 2 331.463 4.213 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccccc2)cn1 ZINC000651676162 1024170699 /nfs/dbraw/zinc/17/06/99/1024170699.db2.gz QJSBWANLUFSALU-QGZVFWFLSA-N 2 2 346.478 4.175 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@@H]1c1cccs1 ZINC000651719031 1024267802 /nfs/dbraw/zinc/26/78/02/1024267802.db2.gz GNNHCQYPNTVNJP-IFXJQAMLSA-N 2 2 341.480 4.062 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)[C@@H]1c1cccs1 ZINC000651719031 1024267825 /nfs/dbraw/zinc/26/78/25/1024267825.db2.gz GNNHCQYPNTVNJP-IFXJQAMLSA-N 2 2 341.480 4.062 20 0 EIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581995896 1024824554 /nfs/dbraw/zinc/82/45/54/1024824554.db2.gz IPBLQSYHCMRTIW-KBPBESRZSA-N 2 2 338.282 4.185 20 0 EIADLP CCc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663305299 1025032161 /nfs/dbraw/zinc/03/21/61/1025032161.db2.gz XDDUTAUISOTKLQ-VXKWHMMOSA-N 2 2 344.543 4.179 20 0 EIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000151321865 1025280189 /nfs/dbraw/zinc/28/01/89/1025280189.db2.gz AHDVJHDZBXAERE-FQEVSTJZSA-N 2 2 341.405 4.451 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000151319641 1025280647 /nfs/dbraw/zinc/28/06/47/1025280647.db2.gz XRRLZJAKYQGHAY-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP CC[C@@H](COC)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165580427 1025339554 /nfs/dbraw/zinc/33/95/54/1025339554.db2.gz OJNQWABVLJHBJO-NRFANRHFSA-N 2 2 349.478 4.113 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3Cl)CC2)cc1 ZINC000237143498 1025550831 /nfs/dbraw/zinc/55/08/31/1025550831.db2.gz HIXKATHGIWLPFF-UHFFFAOYSA-N 2 2 343.902 4.165 20 0 EIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000519236237 1025631262 /nfs/dbraw/zinc/63/12/62/1025631262.db2.gz PDLLHDLZXNODLG-FQEVSTJZSA-N 2 2 331.463 4.341 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344000047 1025865870 /nfs/dbraw/zinc/86/58/70/1025865870.db2.gz VWWITXPCNTXVLX-BULFRSBZSA-N 2 2 347.462 4.443 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(-c2ccncc2)c1 ZINC000163865002 1025869052 /nfs/dbraw/zinc/86/90/52/1025869052.db2.gz FGUBRXPLZSEHQH-KRWDZBQOSA-N 2 2 332.451 4.296 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422844 1025899922 /nfs/dbraw/zinc/89/99/22/1025899922.db2.gz VLHAPQPCYOYUDF-MSOLQXFVSA-N 2 2 342.483 4.098 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)o1 ZINC000432422844 1025899926 /nfs/dbraw/zinc/89/99/26/1025899926.db2.gz VLHAPQPCYOYUDF-MSOLQXFVSA-N 2 2 342.483 4.098 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657311833 1025900714 /nfs/dbraw/zinc/90/07/14/1025900714.db2.gz WRAZKZXWESRCAN-SFHVURJKSA-N 2 2 340.515 4.128 20 0 EIADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657311833 1025900745 /nfs/dbraw/zinc/90/07/45/1025900745.db2.gz WRAZKZXWESRCAN-SFHVURJKSA-N 2 2 340.515 4.128 20 0 EIADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000390925333 1026009006 /nfs/dbraw/zinc/00/90/06/1026009006.db2.gz YNKJEPROIZYRME-SFHVURJKSA-N 2 2 343.540 4.096 20 0 EIADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000390925333 1026009030 /nfs/dbraw/zinc/00/90/30/1026009030.db2.gz YNKJEPROIZYRME-SFHVURJKSA-N 2 2 343.540 4.096 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000344137271 1026052153 /nfs/dbraw/zinc/05/21/53/1026052153.db2.gz VVJKYGSBRPPMIP-NRFANRHFSA-N 2 2 344.418 4.048 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000152099509 1026076102 /nfs/dbraw/zinc/07/61/02/1026076102.db2.gz MXQDJIJVQCOKPK-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000111240741 1026116708 /nfs/dbraw/zinc/11/67/08/1026116708.db2.gz XERNSKBPXRFEBZ-UHFFFAOYSA-N 2 2 347.890 4.301 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000111240741 1026116725 /nfs/dbraw/zinc/11/67/25/1026116725.db2.gz XERNSKBPXRFEBZ-UHFFFAOYSA-N 2 2 347.890 4.301 20 0 EIADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1 ZINC000152273047 1026134620 /nfs/dbraw/zinc/13/46/20/1026134620.db2.gz OFBOAVMITZGXHE-LAUBAEHRSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c1 ZINC000152273047 1026134624 /nfs/dbraw/zinc/13/46/24/1026134624.db2.gz OFBOAVMITZGXHE-LAUBAEHRSA-N 2 2 349.478 4.136 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000152236328 1026238599 /nfs/dbraw/zinc/23/85/99/1026238599.db2.gz MNIDUOKWQHZNSA-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363810 1026305607 /nfs/dbraw/zinc/30/56/07/1026305607.db2.gz PJDDNNJCJMCJIX-DUWHWDBVSA-N 2 2 341.543 4.241 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363810 1026305627 /nfs/dbraw/zinc/30/56/27/1026305627.db2.gz PJDDNNJCJMCJIX-DUWHWDBVSA-N 2 2 341.543 4.241 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000162847825 1026315520 /nfs/dbraw/zinc/31/55/20/1026315520.db2.gz TUVFAUVQRSLALI-SFHVURJKSA-N 2 2 325.456 4.086 20 0 EIADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)ccc1C ZINC000582221206 1026343790 /nfs/dbraw/zinc/34/37/90/1026343790.db2.gz CEKQFKGCTMWAMX-NRFANRHFSA-N 2 2 349.478 4.348 20 0 EIADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000560243268 1026815517 /nfs/dbraw/zinc/81/55/17/1026815517.db2.gz FCYAOTWISNUGAY-HNNXBMFYSA-N 2 2 335.879 4.455 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCS2 ZINC000152772115 1026843053 /nfs/dbraw/zinc/84/30/53/1026843053.db2.gz JQGMFLGXXWBZOA-MRXNPFEDSA-N 2 2 347.915 4.242 20 0 EIADLP FC(F)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000582693014 1026949860 /nfs/dbraw/zinc/94/98/60/1026949860.db2.gz PCXGYTGHYFASAT-UHFFFAOYSA-N 2 2 327.378 4.159 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2SC(C)C)C1 ZINC000474487865 1027125126 /nfs/dbraw/zinc/12/51/26/1027125126.db2.gz KWHRYDCRUAWPEU-CQSZACIVSA-N 2 2 326.937 4.272 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2SC(C)C)C1 ZINC000474487865 1027125139 /nfs/dbraw/zinc/12/51/39/1027125139.db2.gz KWHRYDCRUAWPEU-CQSZACIVSA-N 2 2 326.937 4.272 20 0 EIADLP COc1ccc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000237465965 1027223970 /nfs/dbraw/zinc/22/39/70/1027223970.db2.gz ZSAULYLLLSAKBV-UHFFFAOYSA-N 2 2 347.462 4.002 20 0 EIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474705737 1027423640 /nfs/dbraw/zinc/42/36/40/1027423640.db2.gz DQKTVEBNEVTWNG-OWCLPIDISA-N 2 2 331.529 4.252 20 0 EIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474705737 1027423644 /nfs/dbraw/zinc/42/36/44/1027423644.db2.gz DQKTVEBNEVTWNG-OWCLPIDISA-N 2 2 331.529 4.252 20 0 EIADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)s2)cc1C ZINC000655718741 1027524056 /nfs/dbraw/zinc/52/40/56/1027524056.db2.gz LXJXPNYJSSCBDZ-CQSZACIVSA-N 2 2 340.496 4.049 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C2CCSCC2)c(C)c1 ZINC000474817119 1027541132 /nfs/dbraw/zinc/54/11/32/1027541132.db2.gz ZLVQSJKCNGLZIU-YLJYHZDGSA-N 2 2 343.540 4.363 20 0 EIADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000474883909 1027733606 /nfs/dbraw/zinc/73/36/06/1027733606.db2.gz RBXJFLRLADUTNS-MRXNPFEDSA-N 2 2 341.474 4.098 20 0 EIADLP CC(C)[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922203 1027803392 /nfs/dbraw/zinc/80/33/92/1027803392.db2.gz GJVIIDWVOUUBHL-UYAOXDASSA-N 2 2 325.500 4.114 20 0 EIADLP CC(C)[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000474922203 1027803397 /nfs/dbraw/zinc/80/33/97/1027803397.db2.gz GJVIIDWVOUUBHL-UYAOXDASSA-N 2 2 325.500 4.114 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2F)cc1F ZINC000153683654 1027872315 /nfs/dbraw/zinc/87/23/15/1027872315.db2.gz JARDMPQMJCAEBW-ZDUSSCGKSA-N 2 2 327.378 4.310 20 0 EIADLP Fc1ccc(C=C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1F ZINC000444634963 1027911611 /nfs/dbraw/zinc/91/16/11/1027911611.db2.gz JDJWNSLPJCKPQF-UHFFFAOYSA-N 2 2 334.454 4.320 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000444662622 1027943107 /nfs/dbraw/zinc/94/31/07/1027943107.db2.gz NEKRTYYCTKAKBD-HNNXBMFYSA-N 2 2 330.501 4.294 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc(C4CCCCC4)cs3)C2)[nH]1 ZINC000444662622 1027943128 /nfs/dbraw/zinc/94/31/28/1027943128.db2.gz NEKRTYYCTKAKBD-HNNXBMFYSA-N 2 2 330.501 4.294 20 0 EIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1c[nH]c2ccccc12 ZINC000443852312 1027985748 /nfs/dbraw/zinc/98/57/48/1027985748.db2.gz KIZIGJGHXILADY-UHFFFAOYSA-N 2 2 336.464 4.437 20 0 EIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1c[nH]c2ccccc12 ZINC000443852312 1027985768 /nfs/dbraw/zinc/98/57/68/1027985768.db2.gz KIZIGJGHXILADY-UHFFFAOYSA-N 2 2 336.464 4.437 20 0 EIADLP CSCC1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000395346295 1028170284 /nfs/dbraw/zinc/17/02/84/1028170284.db2.gz GRRWHIRWMSGJNY-KLHKWILBSA-N 2 2 329.513 4.445 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)Cn1cc[nH+]c1 ZINC000443967964 1028181427 /nfs/dbraw/zinc/18/14/27/1028181427.db2.gz VJERJPYMQKVBAR-INIZCTEOSA-N 2 2 339.414 4.240 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CCCC4)CC3)sc2C1 ZINC000346152099 1028285704 /nfs/dbraw/zinc/28/57/04/1028285704.db2.gz OTNGZEACAMMOSW-UHFFFAOYSA-N 2 2 333.545 4.066 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CCCC4)CC3)sc2C1 ZINC000346152099 1028285716 /nfs/dbraw/zinc/28/57/16/1028285716.db2.gz OTNGZEACAMMOSW-UHFFFAOYSA-N 2 2 333.545 4.066 20 0 EIADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346185785 1028291007 /nfs/dbraw/zinc/29/10/07/1028291007.db2.gz SFNDQRBEDMJQQJ-ZDUSSCGKSA-N 2 2 346.525 4.454 20 0 EIADLP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346185785 1028291039 /nfs/dbraw/zinc/29/10/39/1028291039.db2.gz SFNDQRBEDMJQQJ-ZDUSSCGKSA-N 2 2 346.525 4.454 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000346160432 1028297119 /nfs/dbraw/zinc/29/71/19/1028297119.db2.gz WQRBORBOXXWDFF-OAHLLOKOSA-N 2 2 340.858 4.422 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000346160432 1028297141 /nfs/dbraw/zinc/29/71/41/1028297141.db2.gz WQRBORBOXXWDFF-OAHLLOKOSA-N 2 2 340.858 4.422 20 0 EIADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000346194455 1028318521 /nfs/dbraw/zinc/31/85/21/1028318521.db2.gz GSBJTGGPNOHMJZ-INIZCTEOSA-N 2 2 344.509 4.208 20 0 EIADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000346194455 1028318539 /nfs/dbraw/zinc/31/85/39/1028318539.db2.gz GSBJTGGPNOHMJZ-INIZCTEOSA-N 2 2 344.509 4.208 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273900 1028344432 /nfs/dbraw/zinc/34/44/32/1028344432.db2.gz IYSNZKKOVRECLB-CXAGYDPISA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346273900 1028344452 /nfs/dbraw/zinc/34/44/52/1028344452.db2.gz IYSNZKKOVRECLB-CXAGYDPISA-N 2 2 337.389 4.293 20 0 EIADLP CSc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000156235523 1028682564 /nfs/dbraw/zinc/68/25/64/1028682564.db2.gz OKGSGIOOTPNZJJ-AWEZNQCLSA-N 2 2 345.487 4.262 20 0 EIADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256716 1028817646 /nfs/dbraw/zinc/81/76/46/1028817646.db2.gz PWRGNGYWJCTPRT-DEYYWGMASA-N 2 2 329.513 4.109 20 0 EIADLP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000324478009 1029065587 /nfs/dbraw/zinc/06/55/87/1029065587.db2.gz CCSMKGOUMHXGIR-AWEZNQCLSA-N 2 2 327.378 4.044 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1C ZINC000475329515 1029537961 /nfs/dbraw/zinc/53/79/61/1029537961.db2.gz LYLZVGBBMFLMPS-ZZNRLOOFSA-N 2 2 332.454 4.206 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351878 1029569757 /nfs/dbraw/zinc/56/97/57/1029569757.db2.gz MXNWKNCVADQVTE-IWCVFHTOSA-N 2 2 344.465 4.374 20 0 EIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446913027 1029637235 /nfs/dbraw/zinc/63/72/35/1029637235.db2.gz BWXGJKRTVMZUTJ-HTAPYJJXSA-N 2 2 341.543 4.093 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000447070084 1029685967 /nfs/dbraw/zinc/68/59/67/1029685967.db2.gz YHLBSZFNQBVJDG-IHWYPQMZSA-N 2 2 344.405 4.225 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000090887361 1029864962 /nfs/dbraw/zinc/86/49/62/1029864962.db2.gz OXTCJXRXRPHTEW-XPGWFJOJSA-N 2 2 341.499 4.385 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000090887361 1029864963 /nfs/dbraw/zinc/86/49/63/1029864963.db2.gz OXTCJXRXRPHTEW-XPGWFJOJSA-N 2 2 341.499 4.385 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)cc1C ZINC000092073659 1029899132 /nfs/dbraw/zinc/89/91/32/1029899132.db2.gz WDZLPKXJLDKUBJ-CQSZACIVSA-N 2 2 335.398 4.008 20 0 EIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000092072040 1029900397 /nfs/dbraw/zinc/90/03/97/1029900397.db2.gz JKJSBAIZTOTIMU-OAHLLOKOSA-N 2 2 335.398 4.008 20 0 EIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1OC(F)F ZINC000092072040 1029900420 /nfs/dbraw/zinc/90/04/20/1029900420.db2.gz JKJSBAIZTOTIMU-OAHLLOKOSA-N 2 2 335.398 4.008 20 0 EIADLP C[N@H+](CC/C=C/c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450793014 1029984215 /nfs/dbraw/zinc/98/42/15/1029984215.db2.gz PCPQGPPBDIBZGL-RSLOCVLDSA-N 2 2 335.495 4.110 20 0 EIADLP C[N@@H+](CC/C=C/c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450793014 1029984234 /nfs/dbraw/zinc/98/42/34/1029984234.db2.gz PCPQGPPBDIBZGL-RSLOCVLDSA-N 2 2 335.495 4.110 20 0 EIADLP C[NH+](CC/C=C/c1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450793014 1029984257 /nfs/dbraw/zinc/98/42/57/1029984257.db2.gz PCPQGPPBDIBZGL-RSLOCVLDSA-N 2 2 335.495 4.110 20 0 EIADLP C[NH+](CC/C=C/c1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450793014 1029984280 /nfs/dbraw/zinc/98/42/80/1029984280.db2.gz PCPQGPPBDIBZGL-RSLOCVLDSA-N 2 2 335.495 4.110 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000378917306 1030094893 /nfs/dbraw/zinc/09/48/93/1030094893.db2.gz MWZDUESGNVXOOB-QFIPXVFZSA-N 2 2 338.495 4.247 20 0 EIADLP CC(C)(C)C(Cn1c[nH+]c2c1CCCC2)Cn1c[nH+]c2c1CCCC2 ZINC000450978992 1030153767 /nfs/dbraw/zinc/15/37/67/1030153767.db2.gz NJTWIZQCPRMVSB-UHFFFAOYSA-N 2 2 340.515 4.200 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530221413 1030217489 /nfs/dbraw/zinc/21/74/89/1030217489.db2.gz PZNUQAOUAIWOHT-XJKSGUPXSA-N 2 2 327.497 4.054 20 0 EIADLP Fc1ccc(Cl)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000526058205 1030255977 /nfs/dbraw/zinc/25/59/77/1030255977.db2.gz OUFZNHRJTSULIL-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000685410732 1030286845 /nfs/dbraw/zinc/28/68/45/1030286845.db2.gz IRNPWSJDHIPDEX-KAMYIIQDSA-N 2 2 326.406 4.135 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccncc2)cc1F ZINC000685462569 1030340375 /nfs/dbraw/zinc/34/03/75/1030340375.db2.gz UQYGHMDIVBQTBR-UHFFFAOYSA-N 2 2 329.463 4.051 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccncc2)cc1F ZINC000685462569 1030340400 /nfs/dbraw/zinc/34/04/00/1030340400.db2.gz UQYGHMDIVBQTBR-UHFFFAOYSA-N 2 2 329.463 4.051 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2cnccc2o1 ZINC000657901413 1030405346 /nfs/dbraw/zinc/40/53/46/1030405346.db2.gz TXIKPSIPWIIKNL-ABSDTBQOSA-N 2 2 349.478 4.389 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2cnccc2o1 ZINC000657901413 1030405367 /nfs/dbraw/zinc/40/53/67/1030405367.db2.gz TXIKPSIPWIIKNL-ABSDTBQOSA-N 2 2 349.478 4.389 20 0 EIADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189370347 1030469526 /nfs/dbraw/zinc/46/95/26/1030469526.db2.gz LHBPBAVLKVNEII-OXQOHEQNSA-N 2 2 333.435 4.355 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000685566890 1030521595 /nfs/dbraw/zinc/52/15/95/1030521595.db2.gz PGRVOJAJASBGJI-QGZVFWFLSA-N 2 2 347.547 4.449 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000685566890 1030521621 /nfs/dbraw/zinc/52/16/21/1030521621.db2.gz PGRVOJAJASBGJI-QGZVFWFLSA-N 2 2 347.547 4.449 20 0 EIADLP Fc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC000527348999 1030636168 /nfs/dbraw/zinc/63/61/68/1030636168.db2.gz YKOCDBWWXNHJBQ-MOPGFXCFSA-N 2 2 335.426 4.437 20 0 EIADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000192014085 1030666440 /nfs/dbraw/zinc/66/64/40/1030666440.db2.gz GUDHFLKASCIMBE-OAHLLOKOSA-N 2 2 340.496 4.447 20 0 EIADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000192014085 1030666449 /nfs/dbraw/zinc/66/64/49/1030666449.db2.gz GUDHFLKASCIMBE-OAHLLOKOSA-N 2 2 340.496 4.447 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)cc1F ZINC000374856468 1030716657 /nfs/dbraw/zinc/71/66/57/1030716657.db2.gz LACVYLVEXUVGBX-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657981489 1030733660 /nfs/dbraw/zinc/73/36/60/1030733660.db2.gz ROVRRCUVJKFGEG-HLIPFELVSA-N 2 2 325.500 4.178 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)n2c1CCCC2 ZINC000548859326 1030837035 /nfs/dbraw/zinc/83/70/35/1030837035.db2.gz ZJIIAKOYXPMNLV-GOSISDBHSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n2c1CCCC2 ZINC000548859326 1030837036 /nfs/dbraw/zinc/83/70/36/1030837036.db2.gz ZJIIAKOYXPMNLV-GOSISDBHSA-N 2 2 346.478 4.147 20 0 EIADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000527852928 1030877520 /nfs/dbraw/zinc/87/75/20/1030877520.db2.gz SNINWFPIULCYTP-SFHVURJKSA-N 2 2 345.849 4.120 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658205946 1030882058 /nfs/dbraw/zinc/88/20/58/1030882058.db2.gz FPRHTPKDHQYSSE-AGHHOFFYSA-N 2 2 347.462 4.096 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143716 1030915548 /nfs/dbraw/zinc/91/55/48/1030915548.db2.gz XORFKNTVGPZHPF-PBHICJAKSA-N 2 2 347.890 4.300 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143716 1030915582 /nfs/dbraw/zinc/91/55/82/1030915582.db2.gz XORFKNTVGPZHPF-PBHICJAKSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143716 1030915617 /nfs/dbraw/zinc/91/56/17/1030915617.db2.gz XORFKNTVGPZHPF-PBHICJAKSA-N 2 2 347.890 4.300 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1C ZINC000531143716 1030915639 /nfs/dbraw/zinc/91/56/39/1030915639.db2.gz XORFKNTVGPZHPF-PBHICJAKSA-N 2 2 347.890 4.300 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191540 1030964956 /nfs/dbraw/zinc/96/49/56/1030964956.db2.gz GRMJSHFFWUWORU-MAUKXSAKSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168191540 1030964974 /nfs/dbraw/zinc/96/49/74/1030964974.db2.gz GRMJSHFFWUWORU-MAUKXSAKSA-N 2 2 330.859 4.128 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312700 1031206619 /nfs/dbraw/zinc/20/66/19/1031206619.db2.gz LXZQIBDEKJULMP-FHWLQOOXSA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312700 1031206635 /nfs/dbraw/zinc/20/66/35/1031206635.db2.gz LXZQIBDEKJULMP-FHWLQOOXSA-N 2 2 327.472 4.168 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000449031913 1031367686 /nfs/dbraw/zinc/36/76/86/1031367686.db2.gz XWTNJXYWKXLAML-PXNSSMCTSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449031913 1031367693 /nfs/dbraw/zinc/36/76/93/1031367693.db2.gz XWTNJXYWKXLAML-PXNSSMCTSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031913 1031367707 /nfs/dbraw/zinc/36/77/07/1031367707.db2.gz XWTNJXYWKXLAML-PXNSSMCTSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031913 1031367716 /nfs/dbraw/zinc/36/77/16/1031367716.db2.gz XWTNJXYWKXLAML-PXNSSMCTSA-N 2 2 349.478 4.313 20 0 EIADLP CC(C)COc1ccccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000449074667 1031428231 /nfs/dbraw/zinc/42/82/31/1031428231.db2.gz LIARFGDWWRACPD-UHFFFAOYSA-N 2 2 349.478 4.256 20 0 EIADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCC1 ZINC000449155196 1031484267 /nfs/dbraw/zinc/48/42/67/1031484267.db2.gz KNYXFAHVINABJS-PXNSSMCTSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1sccc1Br ZINC000531738837 1031517356 /nfs/dbraw/zinc/51/73/56/1031517356.db2.gz ZGOCTBPXWZMALL-QJPTWQEYSA-N 2 2 331.323 4.034 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453055565 1031546296 /nfs/dbraw/zinc/54/62/96/1031546296.db2.gz JVPSATWGLQPBLC-ZWKOTPCHSA-N 2 2 334.467 4.329 20 0 EIADLP COc1cccc2c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cccc12 ZINC000449229906 1031562173 /nfs/dbraw/zinc/56/21/73/1031562173.db2.gz FXDHFWLPEOPATL-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cccc2c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cccc12 ZINC000449229906 1031562183 /nfs/dbraw/zinc/56/21/83/1031562183.db2.gz FXDHFWLPEOPATL-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000453088002 1031578956 /nfs/dbraw/zinc/57/89/56/1031578956.db2.gz MNWLEZPQCNYKEB-GOSISDBHSA-N 2 2 340.515 4.130 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000453091609 1031584711 /nfs/dbraw/zinc/58/47/11/1031584711.db2.gz RQMQUOKDAHSMED-MRXNPFEDSA-N 2 2 325.481 4.195 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093399 1031585330 /nfs/dbraw/zinc/58/53/30/1031585330.db2.gz RCJUIOYTVFWRDU-ROUUACIJSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093399 1031585342 /nfs/dbraw/zinc/58/53/42/1031585342.db2.gz RCJUIOYTVFWRDU-ROUUACIJSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111085 1031604611 /nfs/dbraw/zinc/60/46/11/1031604611.db2.gz AYJPXFRDRPNOQA-IKGGRYGDSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111085 1031604621 /nfs/dbraw/zinc/60/46/21/1031604621.db2.gz AYJPXFRDRPNOQA-IKGGRYGDSA-N 2 2 325.456 4.007 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c(F)cccc2F)cc1 ZINC000125938079 1031624827 /nfs/dbraw/zinc/62/48/27/1031624827.db2.gz LTKSERRWVWFAPE-ZDUSSCGKSA-N 2 2 327.378 4.310 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cn1 ZINC000126490551 1031649684 /nfs/dbraw/zinc/64/96/84/1031649684.db2.gz IOVZRCYMIDCXQI-AWEZNQCLSA-N 2 2 332.407 4.173 20 0 EIADLP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000449399374 1031704680 /nfs/dbraw/zinc/70/46/80/1031704680.db2.gz AHQFWNBOPHUTKR-GGAORHGYSA-N 2 2 349.522 4.220 20 0 EIADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000453388489 1031898376 /nfs/dbraw/zinc/89/83/76/1031898376.db2.gz XADOVGVRJOJIQQ-VDGAXYAQSA-N 2 2 347.462 4.478 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(OC)c1 ZINC000132140984 1031900338 /nfs/dbraw/zinc/90/03/38/1031900338.db2.gz RYPCBIFGICSOHF-OAQYLSRUSA-N 2 2 349.478 4.223 20 0 EIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532016370 1031982051 /nfs/dbraw/zinc/98/20/51/1031982051.db2.gz CEVBLGVPRIDKSR-KRWDZBQOSA-N 2 2 333.863 4.129 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000532046229 1031998861 /nfs/dbraw/zinc/99/88/61/1031998861.db2.gz DEOCGCZVYDVHAO-UHFFFAOYSA-N 2 2 336.479 4.079 20 0 EIADLP Cc1cc([C@@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)on1 ZINC000509814690 1034044952 /nfs/dbraw/zinc/04/49/52/1034044952.db2.gz VKUZFJVNVSVKNQ-IBGZPJMESA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)on1 ZINC000509814690 1034044965 /nfs/dbraw/zinc/04/49/65/1034044965.db2.gz VKUZFJVNVSVKNQ-IBGZPJMESA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)on1 ZINC000509814690 1034044979 /nfs/dbraw/zinc/04/49/79/1034044979.db2.gz VKUZFJVNVSVKNQ-IBGZPJMESA-N 2 2 341.499 4.278 20 0 EIADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)on1 ZINC000509814690 1034044996 /nfs/dbraw/zinc/04/49/96/1034044996.db2.gz VKUZFJVNVSVKNQ-IBGZPJMESA-N 2 2 341.499 4.278 20 0 EIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000614325957 1034175848 /nfs/dbraw/zinc/17/58/48/1034175848.db2.gz MRHVLGWJUJRXIW-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000614325957 1034175859 /nfs/dbraw/zinc/17/58/59/1034175859.db2.gz MRHVLGWJUJRXIW-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513340328 1034883366 /nfs/dbraw/zinc/88/33/66/1034883366.db2.gz IYIKIJDTVCUHCF-HUUCEWRRSA-N 2 2 341.421 4.009 20 0 EIADLP Clc1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000430025181 1035013869 /nfs/dbraw/zinc/01/38/69/1035013869.db2.gz JWJONHUHJIGMAB-UHFFFAOYSA-N 2 2 348.918 4.093 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286941 1035498997 /nfs/dbraw/zinc/49/89/97/1035498997.db2.gz HCJSHYBLDLHBQC-PVXIVEMSSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286941 1035499007 /nfs/dbraw/zinc/49/90/07/1035499007.db2.gz HCJSHYBLDLHBQC-PVXIVEMSSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308732 1035504271 /nfs/dbraw/zinc/50/42/71/1035504271.db2.gz DADNMELYURSNOX-SCLBCKFNSA-N 2 2 333.863 4.035 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308732 1035504284 /nfs/dbraw/zinc/50/42/84/1035504284.db2.gz DADNMELYURSNOX-SCLBCKFNSA-N 2 2 333.863 4.035 20 0 EIADLP Cc1nc([C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308730 1035507264 /nfs/dbraw/zinc/50/72/64/1035507264.db2.gz DADNMELYURSNOX-FZKQIMNGSA-N 2 2 333.863 4.035 20 0 EIADLP Cc1nc([C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420308730 1035507277 /nfs/dbraw/zinc/50/72/77/1035507277.db2.gz DADNMELYURSNOX-FZKQIMNGSA-N 2 2 333.863 4.035 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)c[nH+]1 ZINC000490571676 1035519395 /nfs/dbraw/zinc/51/93/95/1035519395.db2.gz PTBHNOCMXPGVBZ-UHFFFAOYSA-N 2 2 331.463 4.100 20 0 EIADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000237101550 1035721620 /nfs/dbraw/zinc/72/16/20/1035721620.db2.gz OQUCRKRPGGUONF-UHFFFAOYSA-N 2 2 326.362 4.007 20 0 EIADLP Cc1[nH+]cc(C[N@@H+]2CCSC3(CCC3)CC2)n1-c1ccccc1 ZINC000414482418 1035893268 /nfs/dbraw/zinc/89/32/68/1035893268.db2.gz XMMWNPUPFCXTBM-UHFFFAOYSA-N 2 2 327.497 4.042 20 0 EIADLP Cc1[nH+]cc(C[N@H+]2CCSC3(CCC3)CC2)n1-c1ccccc1 ZINC000414482418 1035893277 /nfs/dbraw/zinc/89/32/77/1035893277.db2.gz XMMWNPUPFCXTBM-UHFFFAOYSA-N 2 2 327.497 4.042 20 0 EIADLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000571633042 1036100218 /nfs/dbraw/zinc/10/02/18/1036100218.db2.gz RKTWWISAIHFMGI-INIZCTEOSA-N 2 2 345.531 4.024 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000502344246 1036108806 /nfs/dbraw/zinc/10/88/06/1036108806.db2.gz HPERJMZFECPQRS-ZVDOUQERSA-N 2 2 335.495 4.203 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000502344246 1036108840 /nfs/dbraw/zinc/10/88/40/1036108840.db2.gz HPERJMZFECPQRS-ZVDOUQERSA-N 2 2 335.495 4.203 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000502431784 1036195655 /nfs/dbraw/zinc/19/56/55/1036195655.db2.gz PFLNPZNRGJTFTO-UWVAXJGDSA-N 2 2 326.484 4.458 20 0 EIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)oc1C ZINC000502431784 1036195669 /nfs/dbraw/zinc/19/56/69/1036195669.db2.gz PFLNPZNRGJTFTO-UWVAXJGDSA-N 2 2 326.484 4.458 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572782357 1036824741 /nfs/dbraw/zinc/82/47/41/1036824741.db2.gz TUSDXIZUADMLLQ-GOSISDBHSA-N 2 2 325.481 4.172 20 0 EIADLP C/C(=C\c1ccccc1)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669682999 1036852389 /nfs/dbraw/zinc/85/23/89/1036852389.db2.gz ZFEYXZZJMCVHNG-RHYRFBSLSA-N 2 2 331.463 4.397 20 0 EIADLP C/C(=C/c1ccccc1)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669683001 1036852889 /nfs/dbraw/zinc/85/28/89/1036852889.db2.gz ZFEYXZZJMCVHNG-WOBAJENOSA-N 2 2 331.463 4.397 20 0 EIADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1 ZINC000271754353 1037006222 /nfs/dbraw/zinc/00/62/22/1037006222.db2.gz IDUIDNRHSMFNCR-QFIPXVFZSA-N 2 2 331.463 4.481 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C(C)C)cc1 ZINC000271877460 1037045646 /nfs/dbraw/zinc/04/56/46/1037045646.db2.gz RWVLRGRSQLUCED-QFIPXVFZSA-N 2 2 349.478 4.427 20 0 EIADLP Cc1cccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272200448 1037128465 /nfs/dbraw/zinc/12/84/65/1037128465.db2.gz IZGJVSOFJKTSLL-KRWDZBQOSA-N 2 2 338.499 4.094 20 0 EIADLP COc1cccc(C2([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000272206878 1037129101 /nfs/dbraw/zinc/12/91/01/1037129101.db2.gz KAUAVWSNFOZCDR-INIZCTEOSA-N 2 2 333.435 4.221 20 0 EIADLP c1sc(C2CCCCC2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488437706 1037595822 /nfs/dbraw/zinc/59/58/22/1037595822.db2.gz ZEGLBFIKLTXFED-UHFFFAOYSA-N 2 2 347.572 4.499 20 0 EIADLP CC[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000760905130 1037652979 /nfs/dbraw/zinc/65/29/79/1037652979.db2.gz IQEJITZWUCGMHT-CQSZACIVSA-N 2 2 343.437 4.042 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435444 1037757160 /nfs/dbraw/zinc/75/71/60/1037757160.db2.gz MEMPVLBDAJQBBS-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435444 1037757168 /nfs/dbraw/zinc/75/71/68/1037757168.db2.gz MEMPVLBDAJQBBS-GJZGRUSLSA-N 2 2 345.437 4.438 20 0 EIADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000422837713 1037843429 /nfs/dbraw/zinc/84/34/29/1037843429.db2.gz VHDWMWPRGNODSU-IKGGRYGDSA-N 2 2 332.394 4.474 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503617320 1037844984 /nfs/dbraw/zinc/84/49/84/1037844984.db2.gz PJBVIRNDAQDGGH-UHFFFAOYSA-N 2 2 328.456 4.424 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422890619 1037855755 /nfs/dbraw/zinc/85/57/55/1037855755.db2.gz SQJHKMWJXZKWNI-GRDNDAEWSA-N 2 2 329.513 4.218 20 0 EIADLP Fc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(Cl)c2)c1 ZINC000422869513 1037858539 /nfs/dbraw/zinc/85/85/39/1037858539.db2.gz AMJQHUJRDKTUSI-XNMUZJSGSA-N 2 2 344.861 4.441 20 0 EIADLP Clc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccsc2)cc1 ZINC000422942937 1037879067 /nfs/dbraw/zinc/87/90/67/1037879067.db2.gz KZAVCXLHWBMNMQ-UJJTZGENSA-N 2 2 332.900 4.364 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000423024103 1037909570 /nfs/dbraw/zinc/90/95/70/1037909570.db2.gz IQUMCTHFVCJZOY-FGTMMUONSA-N 2 2 328.843 4.288 20 0 EIADLP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055906 1037926896 /nfs/dbraw/zinc/92/68/96/1037926896.db2.gz DYQWRLHMAQFQKS-ICCXJUOJSA-N 2 2 337.286 4.306 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC[NH2+]1 ZINC000423387566 1038197008 /nfs/dbraw/zinc/19/70/08/1038197008.db2.gz SLZLGDOIDROTAZ-PDXHDDNESA-N 2 2 349.453 4.193 20 0 EIADLP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423512185 1038270800 /nfs/dbraw/zinc/27/08/00/1038270800.db2.gz UPGRADMULNRKGR-UWJYYQICSA-N 3 2 334.467 4.003 20 0 EIADLP CCCOc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069563 1038485755 /nfs/dbraw/zinc/48/57/55/1038485755.db2.gz CHGXWCHHPUYKID-OAQYLSRUSA-N 2 2 349.478 4.283 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000608069027 1038489898 /nfs/dbraw/zinc/48/98/98/1038489898.db2.gz TXFQJUKSVVZQFX-NRFANRHFSA-N 2 2 342.446 4.042 20 0 EIADLP COc1ccccc1/C=C/C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075429 1038494749 /nfs/dbraw/zinc/49/47/49/1038494749.db2.gz VXJYWFCYWZYLBW-MEJUDOHFSA-N 2 2 347.462 4.016 20 0 EIADLP COc1ccc(C2([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000550735375 1038827486 /nfs/dbraw/zinc/82/74/86/1038827486.db2.gz GMEZDNOCAMWKJZ-FPOVZHCZSA-N 2 2 336.479 4.109 20 0 EIADLP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000550735375 1038827487 /nfs/dbraw/zinc/82/74/87/1038827487.db2.gz GMEZDNOCAMWKJZ-FPOVZHCZSA-N 2 2 336.479 4.109 20 0 EIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)cc1 ZINC000462118185 1038935190 /nfs/dbraw/zinc/93/51/90/1038935190.db2.gz DLGMFWRPXIFMKL-HXUWFJFHSA-N 2 2 338.520 4.130 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000089513089 1039063004 /nfs/dbraw/zinc/06/30/04/1039063004.db2.gz WJHCBKODBFVDEW-KRWDZBQOSA-N 2 2 334.479 4.280 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OC(F)F ZINC000162864959 1039188511 /nfs/dbraw/zinc/18/85/11/1039188511.db2.gz OBELMGFPUQYPFS-AWEZNQCLSA-N 2 2 335.398 4.226 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1conc1Cc1ccccc1)C1CCCCC1 ZINC000555511736 1039321116 /nfs/dbraw/zinc/32/11/16/1039321116.db2.gz UVCHGAXCRSMYPX-UHFFFAOYSA-N 2 2 341.499 4.010 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1conc1Cc1ccccc1)C1CCCCC1 ZINC000555511736 1039321139 /nfs/dbraw/zinc/32/11/39/1039321139.db2.gz UVCHGAXCRSMYPX-UHFFFAOYSA-N 2 2 341.499 4.010 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)(F)F ZINC000481446546 1039438951 /nfs/dbraw/zinc/43/89/51/1039438951.db2.gz RECMBMKOQGYLBS-CYBMUJFWSA-N 2 2 342.405 4.253 20 0 EIADLP Fc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1Cl ZINC000065890043 1039565274 /nfs/dbraw/zinc/56/52/74/1039565274.db2.gz JHSSUWOYSITNMR-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545230 1039605887 /nfs/dbraw/zinc/60/58/87/1039605887.db2.gz UILXKAKAIHQCAG-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545230 1039605899 /nfs/dbraw/zinc/60/58/99/1039605899.db2.gz UILXKAKAIHQCAG-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545230 1039605919 /nfs/dbraw/zinc/60/59/19/1039605919.db2.gz UILXKAKAIHQCAG-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545230 1039605934 /nfs/dbraw/zinc/60/59/34/1039605934.db2.gz UILXKAKAIHQCAG-CQSZACIVSA-N 2 2 329.315 4.200 20 0 EIADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000643496650 1039624897 /nfs/dbraw/zinc/62/48/97/1039624897.db2.gz ILNBYIUAVBHTKG-INIZCTEOSA-N 2 2 325.456 4.186 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1 ZINC000414848982 1039729531 /nfs/dbraw/zinc/72/95/31/1039729531.db2.gz QKVJSFDECZAEFR-NRFANRHFSA-N 2 2 348.494 4.000 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000414850018 1039804492 /nfs/dbraw/zinc/80/44/92/1039804492.db2.gz RWXHDCPVCQITDR-HXUWFJFHSA-N 2 2 337.442 4.287 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000537648104 1039821613 /nfs/dbraw/zinc/82/16/13/1039821613.db2.gz VGFIHGDOVYJYHH-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000537648104 1039821616 /nfs/dbraw/zinc/82/16/16/1039821616.db2.gz VGFIHGDOVYJYHH-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000482102993 1040020080 /nfs/dbraw/zinc/02/00/80/1040020080.db2.gz BUOTZWJGYPRERM-HOTGVXAUSA-N 2 2 332.513 4.466 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000482102993 1040020103 /nfs/dbraw/zinc/02/01/03/1040020103.db2.gz BUOTZWJGYPRERM-HOTGVXAUSA-N 2 2 332.513 4.466 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000482102994 1040020603 /nfs/dbraw/zinc/02/06/03/1040020603.db2.gz BUOTZWJGYPRERM-HZPDHXFCSA-N 2 2 332.513 4.466 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000482102994 1040020623 /nfs/dbraw/zinc/02/06/23/1040020623.db2.gz BUOTZWJGYPRERM-HZPDHXFCSA-N 2 2 332.513 4.466 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482460603 1040269820 /nfs/dbraw/zinc/26/98/20/1040269820.db2.gz YFBHRZURJWQRHA-CQSZACIVSA-N 2 2 329.315 4.342 20 0 EIADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000482460603 1040269837 /nfs/dbraw/zinc/26/98/37/1040269837.db2.gz YFBHRZURJWQRHA-CQSZACIVSA-N 2 2 329.315 4.342 20 0 EIADLP Cc1cc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc(C2CC2)[nH+]1 ZINC000477167094 1040274132 /nfs/dbraw/zinc/27/41/32/1040274132.db2.gz NKTVPUOVRNDZLA-KRWDZBQOSA-N 2 2 342.531 4.143 20 0 EIADLP Cc1cc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc(C2CC2)[nH+]1 ZINC000477167094 1040274146 /nfs/dbraw/zinc/27/41/46/1040274146.db2.gz NKTVPUOVRNDZLA-KRWDZBQOSA-N 2 2 342.531 4.143 20 0 EIADLP FC(F)(F)CC[NH+]1CCCC2(CCC[N@H+](CCC(F)(F)F)C2)C1 ZINC000516999225 1040283410 /nfs/dbraw/zinc/28/34/10/1040283410.db2.gz MESNYKUOXDXWFH-UHFFFAOYSA-N 2 2 346.359 4.069 20 0 EIADLP FC(F)(F)CC[NH+]1CCCC2(CCC[N@@H+](CCC(F)(F)F)C2)C1 ZINC000516999225 1040283393 /nfs/dbraw/zinc/28/33/93/1040283393.db2.gz MESNYKUOXDXWFH-UHFFFAOYSA-N 2 2 346.359 4.069 20 0 EIADLP Fc1ccc(CCCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC000479417433 1040318558 /nfs/dbraw/zinc/31/85/58/1040318558.db2.gz IRNTVKYNBZQRNW-UHFFFAOYSA-N 2 2 347.434 4.325 20 0 EIADLP c1cn(CCC[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)c[nH+]1 ZINC000539449200 1040450309 /nfs/dbraw/zinc/45/03/09/1040450309.db2.gz ZDQNLIRZZICUTM-JOCHJYFZSA-N 2 2 331.463 4.115 20 0 EIADLP c1cn(CCC[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)c[nH+]1 ZINC000539449200 1040450318 /nfs/dbraw/zinc/45/03/18/1040450318.db2.gz ZDQNLIRZZICUTM-JOCHJYFZSA-N 2 2 331.463 4.115 20 0 EIADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000539500184 1040490641 /nfs/dbraw/zinc/49/06/41/1040490641.db2.gz SUNXDKTXYPBGRC-VQTJNVASSA-N 2 2 341.499 4.005 20 0 EIADLP CC(C)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(F)(F)F ZINC000669830618 1040508168 /nfs/dbraw/zinc/50/81/68/1040508168.db2.gz OADLARAKDSRJLO-OAHLLOKOSA-N 2 2 328.422 4.218 20 0 EIADLP CC(C)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(F)(F)F ZINC000669830618 1040508185 /nfs/dbraw/zinc/50/81/85/1040508185.db2.gz OADLARAKDSRJLO-OAHLLOKOSA-N 2 2 328.422 4.218 20 0 EIADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000539557099 1040543595 /nfs/dbraw/zinc/54/35/95/1040543595.db2.gz YDUXTYJUYGJMCJ-OAQYLSRUSA-N 2 2 337.467 4.495 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000551791655 1040605700 /nfs/dbraw/zinc/60/57/00/1040605700.db2.gz SWRIUEBQIHLJRH-KRWDZBQOSA-N 2 2 341.499 4.292 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483281333 1040804405 /nfs/dbraw/zinc/80/44/05/1040804405.db2.gz CABCSENNMBRNHH-OAHLLOKOSA-N 2 2 348.437 4.389 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483281333 1040804406 /nfs/dbraw/zinc/80/44/06/1040804406.db2.gz CABCSENNMBRNHH-OAHLLOKOSA-N 2 2 348.437 4.389 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]CCC2CCCCC2)CCOCC1)c1ccccc1 ZINC000483302095 1040809635 /nfs/dbraw/zinc/80/96/35/1040809635.db2.gz HZKUPBGQCSHZSQ-IBGZPJMESA-N 2 2 344.543 4.446 20 0 EIADLP Clc1cccc(Oc2ccccc2)c1C[NH2+]CCn1cc[nH+]c1 ZINC000480001158 1040855794 /nfs/dbraw/zinc/85/57/94/1040855794.db2.gz XEGAFMOHPBNWPR-UHFFFAOYSA-N 2 2 327.815 4.119 20 0 EIADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C(F)(F)F ZINC000483441384 1040861308 /nfs/dbraw/zinc/86/13/08/1040861308.db2.gz OIVWUCAGRVHTKJ-INIZCTEOSA-N 2 2 337.389 4.283 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C(F)(F)F ZINC000483441384 1040861311 /nfs/dbraw/zinc/86/13/11/1040861311.db2.gz OIVWUCAGRVHTKJ-INIZCTEOSA-N 2 2 337.389 4.283 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CCc1ccccc1)C(C)C)CCC2 ZINC000483457725 1040866019 /nfs/dbraw/zinc/86/60/19/1040866019.db2.gz AMAVCUNXXWRXGA-WOJBJXKFSA-N 2 2 325.500 4.316 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1cccc(F)c1 ZINC000483546053 1040889828 /nfs/dbraw/zinc/88/98/28/1040889828.db2.gz REDYCXHSARZEPN-HOTGVXAUSA-N 2 2 339.414 4.130 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(C(F)(F)F)cc1Cl ZINC000924733025 1040890363 /nfs/dbraw/zinc/89/03/63/1040890363.db2.gz QUBRZXPSZJTJAH-LLVKDONJSA-N 2 2 346.784 4.081 20 0 EIADLP CC(C)[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000554225742 1040894159 /nfs/dbraw/zinc/89/41/59/1040894159.db2.gz JHBNSGUDIUZIRZ-TZIWHRDSSA-N 2 2 338.499 4.031 20 0 EIADLP Cc1cc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)ccc1F ZINC000491284951 1041035092 /nfs/dbraw/zinc/03/50/92/1041035092.db2.gz REVUDWBETSIFGT-IBGZPJMESA-N 2 2 343.833 4.363 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460956251 1041083651 /nfs/dbraw/zinc/08/36/51/1041083651.db2.gz AQMVEOYUXRXUJA-KRWDZBQOSA-N 2 2 334.467 4.452 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000480251143 1041135737 /nfs/dbraw/zinc/13/57/37/1041135737.db2.gz SCSJLNVOOIAZKA-SFHVURJKSA-N 2 2 345.490 4.334 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000480251143 1041135772 /nfs/dbraw/zinc/13/57/72/1041135772.db2.gz SCSJLNVOOIAZKA-SFHVURJKSA-N 2 2 345.490 4.334 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c2ccccc12 ZINC000484288320 1041197025 /nfs/dbraw/zinc/19/70/25/1041197025.db2.gz DQDCRUNXYMTWAK-MRXNPFEDSA-N 2 2 335.451 4.396 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000540347189 1041402729 /nfs/dbraw/zinc/40/27/29/1041402729.db2.gz ALRVGYZMMZMIAY-UHFFFAOYSA-N 2 2 337.467 4.346 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000540347189 1041402739 /nfs/dbraw/zinc/40/27/39/1041402739.db2.gz ALRVGYZMMZMIAY-UHFFFAOYSA-N 2 2 337.467 4.346 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2cccc(Br)c21 ZINC000480605455 1041429279 /nfs/dbraw/zinc/42/92/79/1041429279.db2.gz BGFGVMPHZWIWGY-ZCPGHIKRSA-N 2 2 349.316 4.214 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2cccc(Br)c21 ZINC000480605455 1041429282 /nfs/dbraw/zinc/42/92/82/1041429282.db2.gz BGFGVMPHZWIWGY-ZCPGHIKRSA-N 2 2 349.316 4.214 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480629421 1041432595 /nfs/dbraw/zinc/43/25/95/1041432595.db2.gz FMAFECGUGXJZFJ-XHSDSOJGSA-N 2 2 325.283 4.197 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480629421 1041432601 /nfs/dbraw/zinc/43/26/01/1041432601.db2.gz FMAFECGUGXJZFJ-XHSDSOJGSA-N 2 2 325.283 4.197 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000516215007 1041466791 /nfs/dbraw/zinc/46/67/91/1041466791.db2.gz AMZBIIOGFQDKMG-GMAHTHKFSA-N 2 2 334.507 4.387 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000516215007 1041466794 /nfs/dbraw/zinc/46/67/94/1041466794.db2.gz AMZBIIOGFQDKMG-GMAHTHKFSA-N 2 2 334.507 4.387 20 0 EIADLP Cc1ccc(C2CC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)C2)cc1 ZINC000554888149 1041473166 /nfs/dbraw/zinc/47/31/66/1041473166.db2.gz HSEGPFHARNYIOS-UHFFFAOYSA-N 2 2 331.463 4.276 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692189 1041475729 /nfs/dbraw/zinc/47/57/29/1041475729.db2.gz HKZIRYLZQHXVRK-GHTZIAJQSA-N 2 2 341.543 4.408 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692189 1041475736 /nfs/dbraw/zinc/47/57/36/1041475736.db2.gz HKZIRYLZQHXVRK-GHTZIAJQSA-N 2 2 341.543 4.408 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000484908986 1041516022 /nfs/dbraw/zinc/51/60/22/1041516022.db2.gz SCZGAYAXZZWWMF-YOEHRIQHSA-N 2 2 329.513 4.103 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000484908986 1041516034 /nfs/dbraw/zinc/51/60/34/1041516034.db2.gz SCZGAYAXZZWWMF-YOEHRIQHSA-N 2 2 329.513 4.103 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000540593288 1041549380 /nfs/dbraw/zinc/54/93/80/1041549380.db2.gz CHPRKMFQDXGXQI-GOSISDBHSA-N 2 2 346.559 4.222 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000540757468 1041644181 /nfs/dbraw/zinc/64/41/81/1041644181.db2.gz UZEXOCQKIHMVGB-FXAWDEMLSA-N 2 2 338.499 4.012 20 0 EIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000464052858 1041849986 /nfs/dbraw/zinc/84/99/86/1041849986.db2.gz YZOPVOMKRVACMZ-OAQYLSRUSA-N 2 2 337.442 4.368 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000464078215 1041857079 /nfs/dbraw/zinc/85/70/79/1041857079.db2.gz QQECBTATNQOABC-OYNPSCLESA-N 2 2 344.543 4.301 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000464078212 1041857137 /nfs/dbraw/zinc/85/71/37/1041857137.db2.gz QQECBTATNQOABC-FYZZASKESA-N 2 2 344.543 4.301 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348328 1041898479 /nfs/dbraw/zinc/89/84/79/1041898479.db2.gz AKOZHBKJLCJWCB-SJLPKXTDSA-N 2 2 329.875 4.423 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348328 1041898480 /nfs/dbraw/zinc/89/84/80/1041898480.db2.gz AKOZHBKJLCJWCB-SJLPKXTDSA-N 2 2 329.875 4.423 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541537121 1041999697 /nfs/dbraw/zinc/99/96/97/1041999697.db2.gz JUYVNUGDSYWPNH-GFCCVEGCSA-N 2 2 333.407 4.405 20 0 EIADLP COc1c(C)cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000517622668 1042107834 /nfs/dbraw/zinc/10/78/34/1042107834.db2.gz IFLKLXXWGLBMCO-UHFFFAOYSA-N 2 2 341.480 4.191 20 0 EIADLP COc1c(C)cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1C ZINC000517622668 1042107842 /nfs/dbraw/zinc/10/78/42/1042107842.db2.gz IFLKLXXWGLBMCO-UHFFFAOYSA-N 2 2 341.480 4.191 20 0 EIADLP CC[N@H+](C[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807513 1042179789 /nfs/dbraw/zinc/17/97/89/1042179789.db2.gz TYGMRVPWAMECDG-LJQANCHMSA-N 2 2 337.511 4.424 20 0 EIADLP CC[N@@H+](C[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807513 1042179793 /nfs/dbraw/zinc/17/97/93/1042179793.db2.gz TYGMRVPWAMECDG-LJQANCHMSA-N 2 2 337.511 4.424 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542311550 1042381443 /nfs/dbraw/zinc/38/14/43/1042381443.db2.gz OMRNVAANGTUAIR-STQMWFEESA-N 2 2 343.418 4.392 20 0 EIADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303740576 1042503466 /nfs/dbraw/zinc/50/34/66/1042503466.db2.gz BRGFBBJXPJUQFG-UHFFFAOYSA-N 2 2 332.850 4.233 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000237143275 1042692294 /nfs/dbraw/zinc/69/22/94/1042692294.db2.gz UHWDYZMNRIXXRL-UHFFFAOYSA-N 2 2 343.902 4.165 20 0 EIADLP CCCCCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000506647158 1042731368 /nfs/dbraw/zinc/73/13/68/1042731368.db2.gz UTJZOGOAAQOKJD-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP CCCCCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000506647158 1042731377 /nfs/dbraw/zinc/73/13/77/1042731377.db2.gz UTJZOGOAAQOKJD-UHFFFAOYSA-N 2 2 348.531 4.180 20 0 EIADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000170986672 1042913155 /nfs/dbraw/zinc/91/31/55/1042913155.db2.gz HMAABRIROMVIBM-UHFFFAOYSA-N 2 2 338.495 4.228 20 0 EIADLP COC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000493897481 1042980175 /nfs/dbraw/zinc/98/01/75/1042980175.db2.gz OMLIYYHFTCTJHR-LJQANCHMSA-N 2 2 341.842 4.003 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(C3CCC3)s2)c2cccc[nH+]2)CC1 ZINC000895110212 1043015514 /nfs/dbraw/zinc/01/55/14/1043015514.db2.gz DKDWHFYPSXRFGK-WKILWMFISA-N 2 2 342.512 4.082 20 0 EIADLP C[C@H](CCCC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110443 1043020103 /nfs/dbraw/zinc/02/01/03/1043020103.db2.gz LVCPPIVFAGLYQN-RBSFLKMASA-N 2 2 329.410 4.279 20 0 EIADLP CCCc1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000494187036 1043027085 /nfs/dbraw/zinc/02/70/85/1043027085.db2.gz XRHIQKJULQWQKX-FUHWJXTLSA-N 2 2 343.540 4.096 20 0 EIADLP CCCc1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494187036 1043027091 /nfs/dbraw/zinc/02/70/91/1043027091.db2.gz XRHIQKJULQWQKX-FUHWJXTLSA-N 2 2 343.540 4.096 20 0 EIADLP CCCc1csc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000494187038 1043027577 /nfs/dbraw/zinc/02/75/77/1043027577.db2.gz XRHIQKJULQWQKX-WMZOPIPTSA-N 2 2 343.540 4.096 20 0 EIADLP CCCc1csc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494187038 1043027581 /nfs/dbraw/zinc/02/75/81/1043027581.db2.gz XRHIQKJULQWQKX-WMZOPIPTSA-N 2 2 343.540 4.096 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCCC1 ZINC000542477836 1043211793 /nfs/dbraw/zinc/21/17/93/1043211793.db2.gz KOTCXTRQRVGRGE-SFHVURJKSA-N 2 2 325.500 4.422 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1Cl ZINC000427840126 1043222318 /nfs/dbraw/zinc/22/23/18/1043222318.db2.gz FWYXGRHQMGTMCB-GUYCJALGSA-N 2 2 336.266 4.246 20 0 EIADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856010 1043228854 /nfs/dbraw/zinc/22/88/54/1043228854.db2.gz UVMXUMOVTQMWGQ-ROUUACIJSA-N 2 2 331.891 4.098 20 0 EIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427859692 1043237423 /nfs/dbraw/zinc/23/74/23/1043237423.db2.gz OZKCKFZZBXREFR-GJZGRUSLSA-N 2 2 335.904 4.012 20 0 EIADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427882763 1043246517 /nfs/dbraw/zinc/24/65/17/1043246517.db2.gz BZAQNKCYIZCFFR-MWLCHTKSSA-N 2 2 342.295 4.233 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(ccc3ccccc23)o1 ZINC000427884389 1043249299 /nfs/dbraw/zinc/24/92/99/1043249299.db2.gz FYGKKJHYGPAQMQ-GOEBONIOSA-N 2 2 331.419 4.448 20 0 EIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427892400 1043254415 /nfs/dbraw/zinc/25/44/15/1043254415.db2.gz MXJFLIBIZXPIDH-QZTJIDSGSA-N 2 2 337.492 4.141 20 0 EIADLP C[C@H]1CC([NH2+]Cc2ccc(Cl)cn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012492 1043427146 /nfs/dbraw/zinc/42/71/46/1043427146.db2.gz AYAKYTCIHACSGO-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP Cc1nc2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2s1 ZINC000494323053 1043428780 /nfs/dbraw/zinc/42/87/80/1043428780.db2.gz OEUBKOXGAHZLNX-UHFFFAOYSA-N 2 2 348.475 4.139 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000494355145 1043433392 /nfs/dbraw/zinc/43/33/92/1043433392.db2.gz ATNRXEWWPFGRQO-OAHLLOKOSA-N 2 2 349.569 4.159 20 0 EIADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000494355145 1043433400 /nfs/dbraw/zinc/43/34/00/1043433400.db2.gz ATNRXEWWPFGRQO-OAHLLOKOSA-N 2 2 349.569 4.159 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428254933 1043759842 /nfs/dbraw/zinc/75/98/42/1043759842.db2.gz WKZJFMZDIDVHBJ-SFHVURJKSA-N 2 2 333.520 4.024 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428254933 1043759857 /nfs/dbraw/zinc/75/98/57/1043759857.db2.gz WKZJFMZDIDVHBJ-SFHVURJKSA-N 2 2 333.520 4.024 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000442631805 1043787249 /nfs/dbraw/zinc/78/72/49/1043787249.db2.gz WGQKWPNQXMROSY-RDJZCZTQSA-N 2 2 337.389 4.218 20 0 EIADLP COc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073198 1043806169 /nfs/dbraw/zinc/80/61/69/1043806169.db2.gz VKJCUXPJNGGWAH-FUHWJXTLSA-N 2 2 327.472 4.215 20 0 EIADLP COc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073198 1043806171 /nfs/dbraw/zinc/80/61/71/1043806171.db2.gz VKJCUXPJNGGWAH-FUHWJXTLSA-N 2 2 327.472 4.215 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000701978443 1043862754 /nfs/dbraw/zinc/86/27/54/1043862754.db2.gz JGEZGOSKRZITSC-APWZRJJASA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000701978443 1043862755 /nfs/dbraw/zinc/86/27/55/1043862755.db2.gz JGEZGOSKRZITSC-APWZRJJASA-N 2 2 329.513 4.014 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)[N@@H+]1CCc2ccccc2C1 ZINC000521820326 1044007566 /nfs/dbraw/zinc/00/75/66/1044007566.db2.gz KWXAIBCQDDPASN-JOCHJYFZSA-N 2 2 347.506 4.340 20 0 EIADLP CC(C)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)[N@H+]1CCc2ccccc2C1 ZINC000521820326 1044007578 /nfs/dbraw/zinc/00/75/78/1044007578.db2.gz KWXAIBCQDDPASN-JOCHJYFZSA-N 2 2 347.506 4.340 20 0 EIADLP CC(C)c1ccc(OCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000195659077 1044186359 /nfs/dbraw/zinc/18/63/59/1044186359.db2.gz SHWSNDDHHQTTHR-UHFFFAOYSA-N 2 2 335.451 4.164 20 0 EIADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc2[nH+]1 ZINC000195669998 1044194783 /nfs/dbraw/zinc/19/47/83/1044194783.db2.gz GKAJOPSHUAPGLB-UHFFFAOYSA-N 2 2 332.382 4.480 20 0 EIADLP C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000675726821 1044460852 /nfs/dbraw/zinc/46/08/52/1044460852.db2.gz DDTOUMZARISAAI-ACJLOTCBSA-N 2 2 339.826 4.310 20 0 EIADLP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000675731389 1044464320 /nfs/dbraw/zinc/46/43/20/1044464320.db2.gz GUWXJPVEZVMGBB-MRXNPFEDSA-N 2 2 346.515 4.152 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2cccc(F)c2o1 ZINC000474097027 1044478593 /nfs/dbraw/zinc/47/85/93/1044478593.db2.gz PVTAQIIZDHLWPP-AWEZNQCLSA-N 2 2 339.414 4.287 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400630 1044517187 /nfs/dbraw/zinc/51/71/87/1044517187.db2.gz HLIJUDGVFWGVHC-UWJYYQICSA-N 2 2 341.474 4.020 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543400630 1044517200 /nfs/dbraw/zinc/51/72/00/1044517200.db2.gz HLIJUDGVFWGVHC-UWJYYQICSA-N 2 2 341.474 4.020 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675921036 1044564468 /nfs/dbraw/zinc/56/44/68/1044564468.db2.gz LIVVPPJKNKOFCC-DOTOQJQBSA-N 2 2 325.481 4.425 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024452 1044616745 /nfs/dbraw/zinc/61/67/45/1044616745.db2.gz GUTXIHHPYHBQRA-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024452 1044616760 /nfs/dbraw/zinc/61/67/60/1044616760.db2.gz GUTXIHHPYHBQRA-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@H]1CC([NH2+]Cc2ccncc2Cl)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024453 1044618387 /nfs/dbraw/zinc/61/83/87/1044618387.db2.gz GUTXIHHPYHBQRA-HOTGVXAUSA-N 2 2 343.902 4.266 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490928 1044756290 /nfs/dbraw/zinc/75/62/90/1044756290.db2.gz VCWTWJDWWZMNQE-XJKSGUPXSA-N 2 2 349.569 4.384 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490928 1044756306 /nfs/dbraw/zinc/75/63/06/1044756306.db2.gz VCWTWJDWWZMNQE-XJKSGUPXSA-N 2 2 349.569 4.384 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673601830 1044861534 /nfs/dbraw/zinc/86/15/34/1044861534.db2.gz SNDLOVNGAAUIQS-GIIHOQTISA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673601830 1044861538 /nfs/dbraw/zinc/86/15/38/1044861538.db2.gz SNDLOVNGAAUIQS-GIIHOQTISA-N 2 2 338.417 4.183 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766214558 1044869826 /nfs/dbraw/zinc/86/98/26/1044869826.db2.gz XKAMIWKVOXNHJW-IEBWSBKVSA-N 2 2 326.459 4.277 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766214558 1044869827 /nfs/dbraw/zinc/86/98/27/1044869827.db2.gz XKAMIWKVOXNHJW-IEBWSBKVSA-N 2 2 326.459 4.277 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766214556 1044870058 /nfs/dbraw/zinc/87/00/58/1044870058.db2.gz XKAMIWKVOXNHJW-HKUYNNGSSA-N 2 2 326.459 4.277 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000766214556 1044870063 /nfs/dbraw/zinc/87/00/63/1044870063.db2.gz XKAMIWKVOXNHJW-HKUYNNGSSA-N 2 2 326.459 4.277 20 0 EIADLP COc1ccc2nc(C[NH2+]CCC[N@H+](C)C3CCCCC3)sc2c1 ZINC000474358826 1044883929 /nfs/dbraw/zinc/88/39/29/1044883929.db2.gz CGPSGRGUYVAQON-UHFFFAOYSA-N 2 2 347.528 4.049 20 0 EIADLP COc1ccc2nc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)sc2c1 ZINC000474358826 1044883934 /nfs/dbraw/zinc/88/39/34/1044883934.db2.gz CGPSGRGUYVAQON-UHFFFAOYSA-N 2 2 347.528 4.049 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347913510 1044999529 /nfs/dbraw/zinc/99/95/29/1044999529.db2.gz AEMWYYDXMLOGKU-MSOLQXFVSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000347913510 1044999542 /nfs/dbraw/zinc/99/95/42/1044999542.db2.gz AEMWYYDXMLOGKU-MSOLQXFVSA-N 3 2 340.515 4.096 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(Cl)c1Cl ZINC000762419482 1045227694 /nfs/dbraw/zinc/22/76/94/1045227694.db2.gz CIMLJOPWXIJPMX-NSHDSACASA-N 2 2 332.300 4.456 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)CCCC2 ZINC000237412219 1045384308 /nfs/dbraw/zinc/38/43/08/1045384308.db2.gz VBECAJLHNSDCJL-QGZVFWFLSA-N 2 2 335.495 4.280 20 0 EIADLP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+]1CCCCC1 ZINC000237434945 1045385804 /nfs/dbraw/zinc/38/58/04/1045385804.db2.gz RKTCHFDZWUOLDW-INIZCTEOSA-N 2 2 329.513 4.022 20 0 EIADLP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccs1)C2 ZINC001279166682 1045456987 /nfs/dbraw/zinc/45/69/87/1045456987.db2.gz BTOFBEVBPRTFAZ-SFHVURJKSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccs1)C2 ZINC001279166682 1045456991 /nfs/dbraw/zinc/45/69/91/1045456991.db2.gz BTOFBEVBPRTFAZ-SFHVURJKSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC001279166682 1045456995 /nfs/dbraw/zinc/45/69/95/1045456995.db2.gz BTOFBEVBPRTFAZ-SFHVURJKSA-N 2 2 347.553 4.001 20 0 EIADLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC001279166682 1045457003 /nfs/dbraw/zinc/45/70/03/1045457003.db2.gz BTOFBEVBPRTFAZ-SFHVURJKSA-N 2 2 347.553 4.001 20 0 EIADLP c1cn(CCCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000533579858 1045605812 /nfs/dbraw/zinc/60/58/12/1045605812.db2.gz ORBXOYWBXQYDKN-LJQANCHMSA-N 2 2 339.483 4.480 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1Cl ZINC000246330897 1045685722 /nfs/dbraw/zinc/68/57/22/1045685722.db2.gz BHWMYAFRGIZOMF-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1Cl ZINC000246330897 1045685726 /nfs/dbraw/zinc/68/57/26/1045685726.db2.gz BHWMYAFRGIZOMF-GQIGUUNPSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000247255036 1045845410 /nfs/dbraw/zinc/84/54/10/1045845410.db2.gz ZZWNQNZJSZLVNF-OFQRWUPVSA-N 2 2 349.931 4.358 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000247255036 1045845420 /nfs/dbraw/zinc/84/54/20/1045845420.db2.gz ZZWNQNZJSZLVNF-OFQRWUPVSA-N 2 2 349.931 4.358 20 0 EIADLP CC(C)c1ccc(C2(O)CCC([NH2+]CC[N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000769019171 1045870248 /nfs/dbraw/zinc/87/02/48/1045870248.db2.gz BVBVYDBAPBAGMA-OSFYOIPJSA-N 2 2 344.543 4.014 20 0 EIADLP CC(C)c1ccc(C2(O)CCC([NH2+]CC[N@H+]3CCC[C@H]3C)CC2)cc1 ZINC000769019171 1045870251 /nfs/dbraw/zinc/87/02/51/1045870251.db2.gz BVBVYDBAPBAGMA-OSFYOIPJSA-N 2 2 344.543 4.014 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000769004812 1045874746 /nfs/dbraw/zinc/87/47/46/1045874746.db2.gz NOVIAUSSZGRMRN-ORFBVSJDSA-N 2 2 344.543 4.014 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000769004812 1045874754 /nfs/dbraw/zinc/87/47/54/1045874754.db2.gz NOVIAUSSZGRMRN-ORFBVSJDSA-N 2 2 344.543 4.014 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001170287313 1045991742 /nfs/dbraw/zinc/99/17/42/1045991742.db2.gz HJAJGSIZUIXRGA-HNNXBMFYSA-N 2 2 338.898 4.169 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000769871190 1046099842 /nfs/dbraw/zinc/09/98/42/1046099842.db2.gz DAVRMRXHUPJODJ-HOTGVXAUSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000769871190 1046099856 /nfs/dbraw/zinc/09/98/56/1046099856.db2.gz DAVRMRXHUPJODJ-HOTGVXAUSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769871450 1046100111 /nfs/dbraw/zinc/10/01/11/1046100111.db2.gz GUESRGCSCAGRLF-VQIMIIECSA-N 2 2 341.499 4.108 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000769871450 1046100101 /nfs/dbraw/zinc/10/01/01/1046100101.db2.gz GUESRGCSCAGRLF-VQIMIIECSA-N 2 2 341.499 4.108 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000793530851 1046297157 /nfs/dbraw/zinc/29/71/57/1046297157.db2.gz YSVBKFFWSXHHIH-KNXBSLHKSA-N 2 2 347.462 4.163 20 0 EIADLP C[NH+]1C(C)(C)CC(Nc2[nH+]cccc2C2CCOCC2)CC1(C)C ZINC001170450078 1046481475 /nfs/dbraw/zinc/48/14/75/1046481475.db2.gz FYCWSCFHBXQLJZ-UHFFFAOYSA-N 2 2 331.504 4.039 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)c3ccc(C)cc3[nH+]2)cn1 ZINC000917092961 1046700889 /nfs/dbraw/zinc/70/08/89/1046700889.db2.gz IPXAZCWOQVZLLX-UHFFFAOYSA-N 2 2 343.434 4.353 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379624355 1046713806 /nfs/dbraw/zinc/71/38/06/1046713806.db2.gz JPDRXTPSILBZSN-BEFAXECRSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379624355 1046713823 /nfs/dbraw/zinc/71/38/23/1046713823.db2.gz JPDRXTPSILBZSN-BEFAXECRSA-N 2 2 330.422 4.108 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000128316010 1046817299 /nfs/dbraw/zinc/81/72/99/1046817299.db2.gz YZZWPRIOXOJKLT-UHFFFAOYSA-N 2 2 342.874 4.165 20 0 EIADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000128316010 1046817303 /nfs/dbraw/zinc/81/73/03/1046817303.db2.gz YZZWPRIOXOJKLT-UHFFFAOYSA-N 2 2 342.874 4.165 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nc1C ZINC000459660829 1046844256 /nfs/dbraw/zinc/84/42/56/1046844256.db2.gz FPMLBAIEDCRUCP-UHFFFAOYSA-N 2 2 331.548 4.467 20 0 EIADLP CC(C)CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001170069084 1046926409 /nfs/dbraw/zinc/92/64/09/1046926409.db2.gz LBSDGGGTVBNELO-XJKSGUPXSA-N 2 2 327.310 4.253 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000129254937 1047338981 /nfs/dbraw/zinc/33/89/81/1047338981.db2.gz HNSRNTDJLPNYQJ-IRXDYDNUSA-N 2 2 337.389 4.142 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000788989029 1047344978 /nfs/dbraw/zinc/34/49/78/1047344978.db2.gz UFXDSHAYSKMUQL-MOPGFXCFSA-N 2 2 341.499 4.319 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556078687 1047436724 /nfs/dbraw/zinc/43/67/24/1047436724.db2.gz YUFMXKBDVXWWHO-RTBURBONSA-N 2 2 344.499 4.473 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556078687 1047436732 /nfs/dbraw/zinc/43/67/32/1047436732.db2.gz YUFMXKBDVXWWHO-RTBURBONSA-N 2 2 344.499 4.473 20 0 EIADLP C[N@@H+](Cc1ccc2ccc(-c3ccccc3)nc2c1)C1CC[NH+](C)CC1 ZINC001136943362 1047968011 /nfs/dbraw/zinc/96/80/11/1047968011.db2.gz DMIGDXQEYVXLSQ-UHFFFAOYSA-N 2 2 345.490 4.428 20 0 EIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1nc2ccccc2s1 ZINC001136955941 1047974102 /nfs/dbraw/zinc/97/41/02/1047974102.db2.gz BKGBEBFTTZKQBK-JKSUJKDBSA-N 2 2 329.513 4.135 20 0 EIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1nc2ccccc2s1 ZINC001136955941 1047974115 /nfs/dbraw/zinc/97/41/15/1047974115.db2.gz BKGBEBFTTZKQBK-JKSUJKDBSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC001136955941 1047974128 /nfs/dbraw/zinc/97/41/28/1047974128.db2.gz BKGBEBFTTZKQBK-JKSUJKDBSA-N 2 2 329.513 4.135 20 0 EIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2s1 ZINC001136955941 1047974144 /nfs/dbraw/zinc/97/41/44/1047974144.db2.gz BKGBEBFTTZKQBK-JKSUJKDBSA-N 2 2 329.513 4.135 20 0 EIADLP COc1ccccc1C[C@H](C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000499047334 1048096647 /nfs/dbraw/zinc/09/66/47/1048096647.db2.gz CIPUTNAIMQJWMI-IBGZPJMESA-N 2 2 349.478 4.025 20 0 EIADLP COc1ccccc1C[C@H](C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000499047334 1048096658 /nfs/dbraw/zinc/09/66/58/1048096658.db2.gz CIPUTNAIMQJWMI-IBGZPJMESA-N 2 2 349.478 4.025 20 0 EIADLP Cc1cccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1C ZINC000132140577 1048211937 /nfs/dbraw/zinc/21/19/37/1048211937.db2.gz RTQRMFNEFNSOFJ-IBGZPJMESA-N 2 2 333.479 4.442 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000132221782 1048229696 /nfs/dbraw/zinc/22/96/96/1048229696.db2.gz OWAFEIYHALVUHW-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP CCOc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132283067 1048248607 /nfs/dbraw/zinc/24/86/07/1048248607.db2.gz FCJIRKIUMDYIKG-GOSISDBHSA-N 2 2 349.478 4.223 20 0 EIADLP CCc1ccc([C@@H]2CCC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809711966 1048490752 /nfs/dbraw/zinc/49/07/52/1048490752.db2.gz WAOSFWYMWNDXON-GOSISDBHSA-N 2 2 343.540 4.147 20 0 EIADLP CCc1ccc([C@@H]2CCC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809711966 1048490766 /nfs/dbraw/zinc/49/07/66/1048490766.db2.gz WAOSFWYMWNDXON-GOSISDBHSA-N 2 2 343.540 4.147 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171150500 1048499227 /nfs/dbraw/zinc/49/92/27/1048499227.db2.gz SLZWAXVHQNOXQC-OAHLLOKOSA-N 2 2 346.261 4.288 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(SC(F)(F)F)cc1 ZINC000809752439 1048517465 /nfs/dbraw/zinc/51/74/65/1048517465.db2.gz CEVJUPNBNYADRL-UHFFFAOYSA-N 2 2 329.391 4.017 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(SC(F)(F)F)cc1 ZINC000809752439 1048517470 /nfs/dbraw/zinc/51/74/70/1048517470.db2.gz CEVJUPNBNYADRL-UHFFFAOYSA-N 2 2 329.391 4.017 20 0 EIADLP CCc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001144328925 1048597237 /nfs/dbraw/zinc/59/72/37/1048597237.db2.gz JVWJIZIHWUJILS-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP CCc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001144328925 1048597253 /nfs/dbraw/zinc/59/72/53/1048597253.db2.gz JVWJIZIHWUJILS-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(F)c(-n4cc[nH+]c4)c3)c2c1 ZINC001171167310 1048613176 /nfs/dbraw/zinc/61/31/76/1048613176.db2.gz ILRTVKSBTQAAKV-OAHLLOKOSA-N 2 2 348.425 4.153 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170599098 1048653997 /nfs/dbraw/zinc/65/39/97/1048653997.db2.gz LYPRQMIUNOGOEV-LJQANCHMSA-N 2 2 332.536 4.044 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170599098 1048654002 /nfs/dbraw/zinc/65/40/02/1048654002.db2.gz LYPRQMIUNOGOEV-LJQANCHMSA-N 2 2 332.536 4.044 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135133540 1049074166 /nfs/dbraw/zinc/07/41/66/1049074166.db2.gz RULZKDZGJFXVMN-UHFFFAOYSA-N 2 2 345.712 4.067 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CCCCC3)CC2)cc1 ZINC000773040000 1049548381 /nfs/dbraw/zinc/54/83/81/1049548381.db2.gz IJCPJDPHBHMKIJ-UHFFFAOYSA-N 2 2 329.532 4.281 20 0 EIADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812823939 1049587068 /nfs/dbraw/zinc/58/70/68/1049587068.db2.gz ORURJGICRXXPQD-LAUBAEHRSA-N 2 2 329.532 4.280 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812823936 1049587684 /nfs/dbraw/zinc/58/76/84/1049587684.db2.gz ORURJGICRXXPQD-DYESRHJHSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812826566 1049587957 /nfs/dbraw/zinc/58/79/57/1049587957.db2.gz QODIHJUIWXSXIJ-QZTJIDSGSA-N 2 2 329.532 4.137 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001171473824 1049727894 /nfs/dbraw/zinc/72/78/94/1049727894.db2.gz RGIUPHLYMURWEF-KRWDZBQOSA-N 2 2 339.389 4.017 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081572668 1049747686 /nfs/dbraw/zinc/74/76/86/1049747686.db2.gz GJOIKBCXIIOHLV-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081572668 1049747698 /nfs/dbraw/zinc/74/76/98/1049747698.db2.gz GJOIKBCXIIOHLV-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081572668 1049747709 /nfs/dbraw/zinc/74/77/09/1049747709.db2.gz GJOIKBCXIIOHLV-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000081572668 1049747720 /nfs/dbraw/zinc/74/77/20/1049747720.db2.gz GJOIKBCXIIOHLV-GOSISDBHSA-N 2 2 339.483 4.038 20 0 EIADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644708 1049781443 /nfs/dbraw/zinc/78/14/43/1049781443.db2.gz KSOKFXCMPWTRNG-KTAKPFMOSA-N 2 2 339.321 4.015 20 0 EIADLP CC(C)[N@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171966241 1049826201 /nfs/dbraw/zinc/82/62/01/1049826201.db2.gz OQSZUWVZUKDING-OAHLLOKOSA-N 2 2 342.449 4.441 20 0 EIADLP CC(C)[N@@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001171966241 1049826206 /nfs/dbraw/zinc/82/62/06/1049826206.db2.gz OQSZUWVZUKDING-OAHLLOKOSA-N 2 2 342.449 4.441 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccnc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171971713 1049834270 /nfs/dbraw/zinc/83/42/70/1049834270.db2.gz JLMWXEDAOYHJMV-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccnc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171971713 1049834271 /nfs/dbraw/zinc/83/42/71/1049834271.db2.gz JLMWXEDAOYHJMV-GOSISDBHSA-N 2 2 343.902 4.268 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982471 1049838511 /nfs/dbraw/zinc/83/85/11/1049838511.db2.gz IWZYHZHKJYLVAZ-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982471 1049838514 /nfs/dbraw/zinc/83/85/14/1049838514.db2.gz IWZYHZHKJYLVAZ-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171981425 1049839371 /nfs/dbraw/zinc/83/93/71/1049839371.db2.gz LNWRZAYSRPWEPB-CEXWTWQISA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171981425 1049839374 /nfs/dbraw/zinc/83/93/74/1049839374.db2.gz LNWRZAYSRPWEPB-CEXWTWQISA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH+]1Cc1ccccc1 ZINC001171981425 1049839380 /nfs/dbraw/zinc/83/93/80/1049839380.db2.gz LNWRZAYSRPWEPB-CEXWTWQISA-N 2 2 348.481 4.407 20 0 EIADLP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH+]1Cc1ccccc1 ZINC001171981425 1049839382 /nfs/dbraw/zinc/83/93/82/1049839382.db2.gz LNWRZAYSRPWEPB-CEXWTWQISA-N 2 2 348.481 4.407 20 0 EIADLP CCCCCC[C@H](CCC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172388443 1049903940 /nfs/dbraw/zinc/90/39/40/1049903940.db2.gz YTNLNKJUZXKQOM-FQEVSTJZSA-N 2 2 346.563 4.434 20 0 EIADLP CCCCCC[C@H](CCC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172388443 1049903943 /nfs/dbraw/zinc/90/39/43/1049903943.db2.gz YTNLNKJUZXKQOM-FQEVSTJZSA-N 2 2 346.563 4.434 20 0 EIADLP c1ccc([C@@H]2CC[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC001172552171 1049930379 /nfs/dbraw/zinc/93/03/79/1049930379.db2.gz FAJXJRWERIZZJC-RTWAWAEBSA-N 2 2 335.495 4.224 20 0 EIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567366 1049936465 /nfs/dbraw/zinc/93/64/65/1049936465.db2.gz JRMHMLILBNVIBO-OCCSQVGLSA-N 2 2 330.850 4.012 20 0 EIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567366 1049936468 /nfs/dbraw/zinc/93/64/68/1049936468.db2.gz JRMHMLILBNVIBO-OCCSQVGLSA-N 2 2 330.850 4.012 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246940948 1050006338 /nfs/dbraw/zinc/00/63/38/1050006338.db2.gz HQWWCOATECSGQT-WERVVEIQSA-N 2 2 329.532 4.096 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246940948 1050006339 /nfs/dbraw/zinc/00/63/39/1050006339.db2.gz HQWWCOATECSGQT-WERVVEIQSA-N 2 2 329.532 4.096 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000247974866 1050038000 /nfs/dbraw/zinc/03/80/00/1050038000.db2.gz KLZAKUVVBONECR-QMHWCDLVSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000247974866 1050038004 /nfs/dbraw/zinc/03/80/04/1050038004.db2.gz KLZAKUVVBONECR-QMHWCDLVSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC001177235775 1050171221 /nfs/dbraw/zinc/17/12/21/1050171221.db2.gz JWYPCAREZQCEJA-VQTJNVASSA-N 2 2 343.559 4.003 20 0 EIADLP C[C@H](Cc1c(F)cccc1Cl)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172862265 1050199207 /nfs/dbraw/zinc/19/92/07/1050199207.db2.gz PYBQATQKTTZFST-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172881421 1050223588 /nfs/dbraw/zinc/22/35/88/1050223588.db2.gz GMNMHRWTGGHWSX-ZIAGYGMSSA-N 2 2 335.904 4.357 20 0 EIADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070294 1050223907 /nfs/dbraw/zinc/22/39/07/1050223907.db2.gz OSIAVZXHKLXMPC-NVXWUHKLSA-N 2 2 328.504 4.117 20 0 EIADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070294 1050223915 /nfs/dbraw/zinc/22/39/15/1050223915.db2.gz OSIAVZXHKLXMPC-NVXWUHKLSA-N 2 2 328.504 4.117 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001177492670 1050229376 /nfs/dbraw/zinc/22/93/76/1050229376.db2.gz TUKLEAQIOYFJCC-UHFFFAOYSA-N 2 2 341.842 4.214 20 0 EIADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000091262002 1050244405 /nfs/dbraw/zinc/24/44/05/1050244405.db2.gz JMELGKYBYOCZRR-INIZCTEOSA-N 2 2 325.378 4.279 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000091283966 1050246828 /nfs/dbraw/zinc/24/68/28/1050246828.db2.gz RNFDXVYAHLVWLC-JOCHJYFZSA-N 2 2 347.462 4.181 20 0 EIADLP CCO[C@H](CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943702 1050343137 /nfs/dbraw/zinc/34/31/37/1050343137.db2.gz TXVHBDGLTWCIHF-WOJBJXKFSA-N 2 2 332.532 4.080 20 0 EIADLP CCO[C@H](CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC001177943702 1050343157 /nfs/dbraw/zinc/34/31/57/1050343157.db2.gz TXVHBDGLTWCIHF-WOJBJXKFSA-N 2 2 332.532 4.080 20 0 EIADLP Cc1cc[nH+]c2cc(Nc3cccc(N4CC[NH+](C)CC4)c3)ccc12 ZINC001212716187 1050396919 /nfs/dbraw/zinc/39/69/19/1050396919.db2.gz VVKKNXSTVYEVGI-UHFFFAOYSA-N 2 2 332.451 4.039 20 0 EIADLP CC[C@@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C1 ZINC001173297829 1050398567 /nfs/dbraw/zinc/39/85/67/1050398567.db2.gz ZTJMOLFDUGGFQB-IUODEOHRSA-N 2 2 348.288 4.075 20 0 EIADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CCc1ccc(Cl)c(Cl)c1)C2 ZINC001173549350 1050486297 /nfs/dbraw/zinc/48/62/97/1050486297.db2.gz GMDPGULQKHJYTJ-GFCCVEGCSA-N 2 2 338.282 4.335 20 0 EIADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CCc1ccc(Cl)c(Cl)c1)C2 ZINC001173549350 1050486302 /nfs/dbraw/zinc/48/63/02/1050486302.db2.gz GMDPGULQKHJYTJ-GFCCVEGCSA-N 2 2 338.282 4.335 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001173551667 1050487826 /nfs/dbraw/zinc/48/78/26/1050487826.db2.gz UQGOASXYAXMGKB-XUWXXGDYSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001173551667 1050487839 /nfs/dbraw/zinc/48/78/39/1050487839.db2.gz UQGOASXYAXMGKB-XUWXXGDYSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001173551667 1050487848 /nfs/dbraw/zinc/48/78/48/1050487848.db2.gz UQGOASXYAXMGKB-XUWXXGDYSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001173551667 1050487859 /nfs/dbraw/zinc/48/78/59/1050487859.db2.gz UQGOASXYAXMGKB-XUWXXGDYSA-N 2 2 341.326 4.341 20 0 EIADLP CC(C)c1cc(NCCCCc2cc[nH+]c(N)c2)nc(C(C)C)[nH+]1 ZINC001187740039 1050614649 /nfs/dbraw/zinc/61/46/49/1050614649.db2.gz VMJWMAAVNVOCNV-UHFFFAOYSA-N 2 2 327.476 4.135 20 0 EIADLP Cc1cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)cc(C)[nH+]1 ZINC001179072336 1050626293 /nfs/dbraw/zinc/62/62/93/1050626293.db2.gz PZECGTSPQPSYMV-UHFFFAOYSA-N 2 2 341.524 4.498 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093643946 1050647500 /nfs/dbraw/zinc/64/75/00/1050647500.db2.gz JGSTYSJNXDTCGS-ZBFHGGJFSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093643946 1050647510 /nfs/dbraw/zinc/64/75/10/1050647510.db2.gz JGSTYSJNXDTCGS-ZBFHGGJFSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093643946 1050647517 /nfs/dbraw/zinc/64/75/17/1050647517.db2.gz JGSTYSJNXDTCGS-ZBFHGGJFSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093643946 1050647522 /nfs/dbraw/zinc/64/75/22/1050647522.db2.gz JGSTYSJNXDTCGS-ZBFHGGJFSA-N 2 2 330.447 4.309 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660093 1050653622 /nfs/dbraw/zinc/65/36/22/1050653622.db2.gz QEQJLZJQEJUBRF-CQSZACIVSA-N 2 2 335.542 4.178 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660093 1050653629 /nfs/dbraw/zinc/65/36/29/1050653629.db2.gz QEQJLZJQEJUBRF-CQSZACIVSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660093 1050653652 /nfs/dbraw/zinc/65/36/52/1050653652.db2.gz QEQJLZJQEJUBRF-CQSZACIVSA-N 2 2 335.542 4.178 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(-c2cccs2)s1 ZINC000093660093 1050653662 /nfs/dbraw/zinc/65/36/62/1050653662.db2.gz QEQJLZJQEJUBRF-CQSZACIVSA-N 2 2 335.542 4.178 20 0 EIADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1Br ZINC001179849978 1050800191 /nfs/dbraw/zinc/80/01/91/1050800191.db2.gz LQBHCPYYSGMUIM-HNNXBMFYSA-N 2 2 348.288 4.169 20 0 EIADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1Br ZINC001179849978 1050800194 /nfs/dbraw/zinc/80/01/94/1050800194.db2.gz LQBHCPYYSGMUIM-HNNXBMFYSA-N 2 2 348.288 4.169 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001180030518 1050860361 /nfs/dbraw/zinc/86/03/61/1050860361.db2.gz NYHFYBSZSJISOE-ROUUACIJSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001180030518 1050860365 /nfs/dbraw/zinc/86/03/65/1050860365.db2.gz NYHFYBSZSJISOE-ROUUACIJSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001180030518 1050860368 /nfs/dbraw/zinc/86/03/68/1050860368.db2.gz NYHFYBSZSJISOE-ROUUACIJSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001180030518 1050860373 /nfs/dbraw/zinc/86/03/73/1050860373.db2.gz NYHFYBSZSJISOE-ROUUACIJSA-N 2 2 332.507 4.475 20 0 EIADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000121367067 1050990234 /nfs/dbraw/zinc/99/02/34/1050990234.db2.gz PVXUIHLBPHNLCN-SFHVURJKSA-N 2 2 329.875 4.445 20 0 EIADLP COCCCC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCC1 ZINC001181196523 1051177056 /nfs/dbraw/zinc/17/70/56/1051177056.db2.gz QMJDOTVHKYUZNB-UHFFFAOYSA-N 2 2 336.564 4.219 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2c(s1)CCC2 ZINC000153658595 1051209132 /nfs/dbraw/zinc/20/91/32/1051209132.db2.gz YBQDJNBSCNOTQG-CYBMUJFWSA-N 2 2 341.455 4.412 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC001181383594 1051215675 /nfs/dbraw/zinc/21/56/75/1051215675.db2.gz WPRMVCYPCDXVSQ-HWKANZROSA-N 2 2 326.415 4.086 20 0 EIADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000154076180 1051266606 /nfs/dbraw/zinc/26/66/06/1051266606.db2.gz ILXXIZRHDWMKNV-LSDHHAIUSA-N 2 2 339.414 4.432 20 0 EIADLP CCc1cnc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001191358063 1051428669 /nfs/dbraw/zinc/42/86/69/1051428669.db2.gz BTLQYACTQSDPRV-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP CCc1cnc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001191358063 1051428678 /nfs/dbraw/zinc/42/86/78/1051428678.db2.gz BTLQYACTQSDPRV-UHFFFAOYSA-N 2 2 343.540 4.323 20 0 EIADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001182845104 1051713400 /nfs/dbraw/zinc/71/34/00/1051713400.db2.gz RNPNQHBUWRBMIF-AQIYZVDXSA-N 2 2 344.543 4.425 20 0 EIADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001182845104 1051713412 /nfs/dbraw/zinc/71/34/12/1051713412.db2.gz RNPNQHBUWRBMIF-AQIYZVDXSA-N 2 2 344.543 4.425 20 0 EIADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845449 1051717221 /nfs/dbraw/zinc/71/72/21/1051717221.db2.gz TZUOMGSEHBWAPT-CZUORRHYSA-N 2 2 328.422 4.271 20 0 EIADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001182845449 1051717233 /nfs/dbraw/zinc/71/72/33/1051717233.db2.gz TZUOMGSEHBWAPT-CZUORRHYSA-N 2 2 328.422 4.271 20 0 EIADLP c1cn(C[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001175670091 1051724378 /nfs/dbraw/zinc/72/43/78/1051724378.db2.gz XQGAHMKYRTUXOY-DENIHFKCSA-N 2 2 331.463 4.334 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001206550183 1051759640 /nfs/dbraw/zinc/75/96/40/1051759640.db2.gz XENQRMIZYUOGHD-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001206550183 1051759652 /nfs/dbraw/zinc/75/96/52/1051759652.db2.gz XENQRMIZYUOGHD-HNNXBMFYSA-N 2 2 334.813 4.310 20 0 EIADLP CCC[N@@H+]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183045624 1051768201 /nfs/dbraw/zinc/76/82/01/1051768201.db2.gz KQEPZGXCUNMGLV-QHCPKHFHSA-N 2 2 336.523 4.162 20 0 EIADLP CCC[N@H+]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183045624 1051768206 /nfs/dbraw/zinc/76/82/06/1051768206.db2.gz KQEPZGXCUNMGLV-QHCPKHFHSA-N 2 2 336.523 4.162 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001183481201 1051848265 /nfs/dbraw/zinc/84/82/65/1051848265.db2.gz FDQLPRPSZJFYSI-YLJYHZDGSA-N 2 2 333.479 4.311 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC001183481201 1051848270 /nfs/dbraw/zinc/84/82/70/1051848270.db2.gz FDQLPRPSZJFYSI-YLJYHZDGSA-N 2 2 333.479 4.311 20 0 EIADLP Cc1ccccc1C1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001183497826 1051855453 /nfs/dbraw/zinc/85/54/53/1051855453.db2.gz CAMKFJBVSPTIMZ-QETWGEEDSA-N 2 2 331.463 4.469 20 0 EIADLP CC(C)CCCC[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738263 1051890988 /nfs/dbraw/zinc/89/09/88/1051890988.db2.gz GNPMNDUHOCHTJF-UHFFFAOYSA-N 2 2 332.532 4.084 20 0 EIADLP CC(C)CCCC[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001183738263 1051890991 /nfs/dbraw/zinc/89/09/91/1051890991.db2.gz GNPMNDUHOCHTJF-UHFFFAOYSA-N 2 2 332.532 4.084 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000159220208 1051947965 /nfs/dbraw/zinc/94/79/65/1051947965.db2.gz BOGNHHKWRMDNLL-ZDUSSCGKSA-N 2 2 345.314 4.145 20 0 EIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000159310421 1051972803 /nfs/dbraw/zinc/97/28/03/1051972803.db2.gz KYRALGNJQFDWJI-NSHDSACASA-N 2 2 332.822 4.076 20 0 EIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)c1 ZINC001184376080 1052001843 /nfs/dbraw/zinc/00/18/43/1052001843.db2.gz ZRUFDMLUZDXNPL-GOSISDBHSA-N 2 2 341.499 4.335 20 0 EIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)c1 ZINC001184376080 1052001855 /nfs/dbraw/zinc/00/18/55/1052001855.db2.gz ZRUFDMLUZDXNPL-GOSISDBHSA-N 2 2 341.499 4.335 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000774823558 1052170395 /nfs/dbraw/zinc/17/03/95/1052170395.db2.gz IYISXFPGNNNZIG-WMZHIEFXSA-N 2 2 349.522 4.433 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001176991940 1052213299 /nfs/dbraw/zinc/21/32/99/1052213299.db2.gz VVSPWTNNEKFJRE-IAGOWNOFSA-N 2 2 333.520 4.165 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001176991940 1052213309 /nfs/dbraw/zinc/21/33/09/1052213309.db2.gz VVSPWTNNEKFJRE-IAGOWNOFSA-N 2 2 333.520 4.165 20 0 EIADLP Cc1cc(Br)c(C[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC001177122451 1052226905 /nfs/dbraw/zinc/22/69/05/1052226905.db2.gz GUETWAKKHWJARA-UHFFFAOYSA-N 2 2 345.350 4.031 20 0 EIADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000192075848 1052468916 /nfs/dbraw/zinc/46/89/16/1052468916.db2.gz YGLNYULNVKHKMC-OAQYLSRUSA-N 2 2 332.451 4.221 20 0 EIADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000192075848 1052468921 /nfs/dbraw/zinc/46/89/21/1052468921.db2.gz YGLNYULNVKHKMC-OAQYLSRUSA-N 2 2 332.451 4.221 20 0 EIADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)sc1C ZINC000338329439 1052547459 /nfs/dbraw/zinc/54/74/59/1052547459.db2.gz PILVYZDCEROPCF-SFHVURJKSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)sc1C ZINC000338329439 1052547466 /nfs/dbraw/zinc/54/74/66/1052547466.db2.gz PILVYZDCEROPCF-SFHVURJKSA-N 2 2 343.540 4.150 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000623905572 1052834919 /nfs/dbraw/zinc/83/49/19/1052834919.db2.gz DEJMGONAKKFKRD-ZOBUZTSGSA-N 2 2 343.540 4.259 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000623985819 1052844554 /nfs/dbraw/zinc/84/45/54/1052844554.db2.gz DAAMLVXDLIBTMZ-LSBZLQRGSA-N 2 2 345.487 4.099 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)sc1C ZINC000624015128 1052853438 /nfs/dbraw/zinc/85/34/38/1052853438.db2.gz PDXSZQPEIXTZSR-MJGOQNOKSA-N 2 2 336.545 4.049 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124098 1052868333 /nfs/dbraw/zinc/86/83/33/1052868333.db2.gz XFYSWAWCGDUOOD-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124098 1052868336 /nfs/dbraw/zinc/86/83/36/1052868336.db2.gz XFYSWAWCGDUOOD-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000181660707 1052891487 /nfs/dbraw/zinc/89/14/87/1052891487.db2.gz DNBKWEVLCGLXQV-INIZCTEOSA-N 2 2 344.499 4.147 20 0 EIADLP COc1cccc2cc([C@@H](C)[NH2+]CCCCNc3cccc[nH+]3)oc21 ZINC000181672997 1052892397 /nfs/dbraw/zinc/89/23/97/1052892397.db2.gz JKKWMIPKYVVYFU-OAHLLOKOSA-N 2 2 339.439 4.379 20 0 EIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000182322484 1052925937 /nfs/dbraw/zinc/92/59/37/1052925937.db2.gz FCBALJLMOPXARR-NRFANRHFSA-N 2 2 349.453 4.280 20 0 EIADLP CC[C@H]([NH2+]CCC[NH2+][C@@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000182504912 1052936884 /nfs/dbraw/zinc/93/68/84/1052936884.db2.gz JQCOIDPSPSRNCW-IRXDYDNUSA-N 2 2 348.491 4.068 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC000183221140 1052966946 /nfs/dbraw/zinc/96/69/46/1052966946.db2.gz QAHRDMOTKGQFNR-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP CC(C)CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000764505140 1053138363 /nfs/dbraw/zinc/13/83/63/1053138363.db2.gz VRWPRYPQUVVHFQ-PZJWPPBQSA-N 2 2 331.548 4.488 20 0 EIADLP CC(C)CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000764505140 1053138386 /nfs/dbraw/zinc/13/83/86/1053138386.db2.gz VRWPRYPQUVVHFQ-PZJWPPBQSA-N 2 2 331.548 4.488 20 0 EIADLP CCC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000765249367 1053476195 /nfs/dbraw/zinc/47/61/95/1053476195.db2.gz HMLJFELELCZIRT-OALUTQOASA-N 2 2 329.488 4.437 20 0 EIADLP CC(C)(C)Oc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000865410224 1053494926 /nfs/dbraw/zinc/49/49/26/1053494926.db2.gz MPDDKYAKQCCIEC-UHFFFAOYSA-N 2 2 349.478 4.399 20 0 EIADLP CSc1ccccc1[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000866218555 1053655009 /nfs/dbraw/zinc/65/50/09/1053655009.db2.gz RPHPKEOZCHUWBF-HXUWFJFHSA-N 2 2 326.509 4.182 20 0 EIADLP Cc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001196594337 1053701091 /nfs/dbraw/zinc/70/10/91/1053701091.db2.gz KHGSULYWDOPJGN-IBGZPJMESA-N 2 2 338.495 4.020 20 0 EIADLP Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001196594337 1053701102 /nfs/dbraw/zinc/70/11/02/1053701102.db2.gz KHGSULYWDOPJGN-IBGZPJMESA-N 2 2 338.495 4.020 20 0 EIADLP CCC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccnc1 ZINC000542663493 1053857816 /nfs/dbraw/zinc/85/78/16/1053857816.db2.gz VSGLXHPKVITDEW-LJQANCHMSA-N 2 2 347.572 4.264 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197376501 1053898033 /nfs/dbraw/zinc/89/80/33/1053898033.db2.gz DXPZOWVKZRIOLN-ZIAGYGMSSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197376501 1053898039 /nfs/dbraw/zinc/89/80/39/1053898039.db2.gz DXPZOWVKZRIOLN-ZIAGYGMSSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930819 1054026498 /nfs/dbraw/zinc/02/64/98/1054026498.db2.gz SWIOPRDKTNLUHT-UONOGXRCSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197930819 1054026513 /nfs/dbraw/zinc/02/65/13/1054026513.db2.gz SWIOPRDKTNLUHT-UONOGXRCSA-N 2 2 333.838 4.146 20 0 EIADLP CCC[N@H+](CCC(C)(C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633143 1054211741 /nfs/dbraw/zinc/21/17/41/1054211741.db2.gz TWZAGVWKOYUDEU-UHFFFAOYSA-N 2 2 332.532 4.178 20 0 EIADLP CCC[N@@H+](CCC(C)(C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633143 1054211751 /nfs/dbraw/zinc/21/17/51/1054211751.db2.gz TWZAGVWKOYUDEU-UHFFFAOYSA-N 2 2 332.532 4.178 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001198790418 1054252792 /nfs/dbraw/zinc/25/27/92/1054252792.db2.gz HBJHGJHOTCNJRY-GOSISDBHSA-N 2 2 329.463 4.487 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001198790418 1054252796 /nfs/dbraw/zinc/25/27/96/1054252796.db2.gz HBJHGJHOTCNJRY-GOSISDBHSA-N 2 2 329.463 4.487 20 0 EIADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC001198952556 1054311914 /nfs/dbraw/zinc/31/19/14/1054311914.db2.gz JMGPVXYUABUSRA-UHFFFAOYSA-N 2 2 338.923 4.483 20 0 EIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C[C@@H](C)O1 ZINC001199085573 1054341025 /nfs/dbraw/zinc/34/10/25/1054341025.db2.gz LVIGDMOMMZFNAY-IAGOWNOFSA-N 2 2 344.524 4.004 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(-c3ccccc3)s2)s1 ZINC000858207895 1054438956 /nfs/dbraw/zinc/43/89/56/1054438956.db2.gz XCQVANGURXMSDP-UHFFFAOYSA-N 2 2 343.521 4.223 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc3ccccc3c2)s1 ZINC000858321950 1054463809 /nfs/dbraw/zinc/46/38/09/1054463809.db2.gz PZCIRNAWTCTYNY-UHFFFAOYSA-N 2 2 339.508 4.383 20 0 EIADLP CC(C)[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580606 1054477854 /nfs/dbraw/zinc/47/78/54/1054477854.db2.gz PTRSZVVXDXCEQL-VXKWHMMOSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580606 1054477860 /nfs/dbraw/zinc/47/78/60/1054477860.db2.gz PTRSZVVXDXCEQL-VXKWHMMOSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001168580606 1054477869 /nfs/dbraw/zinc/47/78/69/1054477869.db2.gz PTRSZVVXDXCEQL-VXKWHMMOSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001168580606 1054477881 /nfs/dbraw/zinc/47/78/81/1054477881.db2.gz PTRSZVVXDXCEQL-VXKWHMMOSA-N 2 2 344.543 4.178 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000859212807 1054644120 /nfs/dbraw/zinc/64/41/20/1054644120.db2.gz AIMOSEUCMIFEJR-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc1 ZINC000859212807 1054644129 /nfs/dbraw/zinc/64/41/29/1054644129.db2.gz AIMOSEUCMIFEJR-UHFFFAOYSA-N 2 2 335.451 4.035 20 0 EIADLP Clc1ccc2sc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2n1 ZINC000876651784 1054942299 /nfs/dbraw/zinc/94/22/99/1054942299.db2.gz ZPMDTOQGEAWLDW-UHFFFAOYSA-N 2 2 332.860 4.052 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000065890723 1054975860 /nfs/dbraw/zinc/97/58/60/1054975860.db2.gz JQWWBSBROMTWIJ-CQSZACIVSA-N 2 2 343.377 4.132 20 0 EIADLP Cc1cc(C)cc(CC[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000877114761 1055022177 /nfs/dbraw/zinc/02/21/77/1055022177.db2.gz AHLYFVBCVMGFJW-IBGZPJMESA-N 2 2 337.511 4.056 20 0 EIADLP CCc1ccc(C2CC[NH+](Cc3ncc(C[NH+](C)C)s3)CC2)cc1 ZINC000862534347 1055079582 /nfs/dbraw/zinc/07/95/82/1055079582.db2.gz ABRRDHOCDXUTKI-UHFFFAOYSA-N 2 2 343.540 4.147 20 0 EIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000126736630 1055129346 /nfs/dbraw/zinc/12/93/46/1055129346.db2.gz FFHWWNDCXJYMBY-UHFFFAOYSA-N 3 2 348.494 4.002 20 0 EIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000126736630 1055129358 /nfs/dbraw/zinc/12/93/58/1055129358.db2.gz FFHWWNDCXJYMBY-UHFFFAOYSA-N 3 2 348.494 4.002 20 0 EIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1scnc1Cl ZINC000878423774 1055302231 /nfs/dbraw/zinc/30/22/31/1055302231.db2.gz UBURLECLFQZXKS-KBPBESRZSA-N 2 2 349.931 4.043 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000347636630 1055749712 /nfs/dbraw/zinc/74/97/12/1055749712.db2.gz JOILNHYJCOMLAY-OAHLLOKOSA-N 2 2 349.931 4.065 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000347636630 1055749740 /nfs/dbraw/zinc/74/97/40/1055749740.db2.gz JOILNHYJCOMLAY-OAHLLOKOSA-N 2 2 349.931 4.065 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC(C(F)(F)F)CC1 ZINC000474469312 1055876155 /nfs/dbraw/zinc/87/61/55/1055876155.db2.gz LUINHWLNMWYVGG-WLYUNCDWSA-N 2 2 343.437 4.109 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622663 1060137303 /nfs/dbraw/zinc/13/73/03/1060137303.db2.gz HCYQVTIDGSUPDH-CRAIPNDOSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000379622663 1060137326 /nfs/dbraw/zinc/13/73/26/1060137326.db2.gz HCYQVTIDGSUPDH-CRAIPNDOSA-N 2 2 330.422 4.108 20 0 EIADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001169061462 1060618611 /nfs/dbraw/zinc/61/86/11/1060618611.db2.gz KSBGOIDBBUOLDY-NRFANRHFSA-N 2 2 337.511 4.297 20 0 EIADLP CC[NH+]1CCC([NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)CC1 ZINC001169265673 1060712674 /nfs/dbraw/zinc/71/26/74/1060712674.db2.gz OTEDQHRBKDYWJB-UHFFFAOYSA-N 2 2 344.449 4.451 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(OC(C)(C)C)cc[nH+]1 ZINC001169688906 1060901029 /nfs/dbraw/zinc/90/10/29/1060901029.db2.gz ADLCIGYJSLNSAX-QGZVFWFLSA-N 2 2 325.456 4.499 20 0 EIADLP Cc1c[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1C ZINC001164996285 722209986 /nfs/dbraw/zinc/20/99/86/722209986.db2.gz SRUHQGYDWCFRRT-OAQYLSRUSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1c[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1C ZINC001164996285 722209988 /nfs/dbraw/zinc/20/99/88/722209988.db2.gz SRUHQGYDWCFRRT-OAQYLSRUSA-N 2 2 339.458 4.082 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cn2)c1 ZINC000532193511 1032079780 /nfs/dbraw/zinc/07/97/80/1032079780.db2.gz FSDISIDFGNCQQW-HKUYNNGSSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)c1 ZINC000532193511 1032079794 /nfs/dbraw/zinc/07/97/94/1032079794.db2.gz FSDISIDFGNCQQW-HKUYNNGSSA-N 2 2 339.483 4.063 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226928 1032104071 /nfs/dbraw/zinc/10/40/71/1032104071.db2.gz XPHHWUOXAMHEKG-PWSUYJOCSA-N 2 2 333.328 4.364 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226928 1032104079 /nfs/dbraw/zinc/10/40/79/1032104079.db2.gz XPHHWUOXAMHEKG-PWSUYJOCSA-N 2 2 333.328 4.364 20 0 EIADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760608 1032300617 /nfs/dbraw/zinc/30/06/17/1032300617.db2.gz QRVWJJMUMKRDAH-NVXWUHKLSA-N 2 2 329.513 4.308 20 0 EIADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760608 1032300631 /nfs/dbraw/zinc/30/06/31/1032300631.db2.gz QRVWJJMUMKRDAH-NVXWUHKLSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760608 1032300643 /nfs/dbraw/zinc/30/06/43/1032300643.db2.gz QRVWJJMUMKRDAH-NVXWUHKLSA-N 2 2 329.513 4.308 20 0 EIADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000532760608 1032300656 /nfs/dbraw/zinc/30/06/56/1032300656.db2.gz QRVWJJMUMKRDAH-NVXWUHKLSA-N 2 2 329.513 4.308 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245707375 1032405321 /nfs/dbraw/zinc/40/53/21/1032405321.db2.gz MQXXGXRFTKJVJF-OWYHZJEWSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245707375 1032405325 /nfs/dbraw/zinc/40/53/25/1032405325.db2.gz MQXXGXRFTKJVJF-OWYHZJEWSA-N 2 2 341.524 4.298 20 0 EIADLP CC(C)C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000177932976 1032513316 /nfs/dbraw/zinc/51/33/16/1032513316.db2.gz UCFBYGMKCALTOQ-NRFANRHFSA-N 2 2 334.467 4.203 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)nc1 ZINC000760169830 1032542945 /nfs/dbraw/zinc/54/29/45/1032542945.db2.gz RVBYYUCKZMWPSV-YOEHRIQHSA-N 2 2 340.858 4.103 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179136952 1032554231 /nfs/dbraw/zinc/55/42/31/1032554231.db2.gz PTEXXNAEMZYDOW-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000179136952 1032554236 /nfs/dbraw/zinc/55/42/36/1032554236.db2.gz PTEXXNAEMZYDOW-GJYPPUQNSA-N 2 2 343.902 4.439 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1F ZINC000180068934 1032581978 /nfs/dbraw/zinc/58/19/78/1032581978.db2.gz QRUSZZIIBUBZIK-HXUWFJFHSA-N 2 2 337.442 4.354 20 0 EIADLP Cc1cc(C)c(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C)[nH+]1 ZINC000634564300 1018741422 /nfs/dbraw/zinc/74/14/22/1018741422.db2.gz KGZGATCZKMKFHG-GOSISDBHSA-N 2 2 339.483 4.012 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000236794917 1032832102 /nfs/dbraw/zinc/83/21/02/1032832102.db2.gz HQPFJBXTTXHHKX-UHFFFAOYSA-N 2 2 334.410 4.189 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000471172796 1019627625 /nfs/dbraw/zinc/62/76/25/1019627625.db2.gz JOQZNDTWXFBUSS-IBGZPJMESA-N 2 2 335.451 4.211 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000471172796 1019627636 /nfs/dbraw/zinc/62/76/36/1019627636.db2.gz JOQZNDTWXFBUSS-IBGZPJMESA-N 2 2 335.451 4.211 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274968797 1019882331 /nfs/dbraw/zinc/88/23/31/1019882331.db2.gz IAXKHYVJVNEWJC-AWEZNQCLSA-N 2 2 347.865 4.189 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981478 1019886602 /nfs/dbraw/zinc/88/66/02/1019886602.db2.gz ZJGXSLGCNWCURR-LSDHHAIUSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981478 1019886607 /nfs/dbraw/zinc/88/66/07/1019886607.db2.gz ZJGXSLGCNWCURR-LSDHHAIUSA-N 2 2 349.931 4.359 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000037292678 1019950094 /nfs/dbraw/zinc/95/00/94/1019950094.db2.gz IXMRPCAMFNBYFF-YESZJQIVSA-N 2 2 337.305 4.117 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000037292678 1019950103 /nfs/dbraw/zinc/95/01/03/1019950103.db2.gz IXMRPCAMFNBYFF-YESZJQIVSA-N 2 2 337.305 4.117 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000375609714 1020755599 /nfs/dbraw/zinc/75/55/99/1020755599.db2.gz BUHLXAFAHDSCRW-LJQANCHMSA-N 2 2 333.520 4.240 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000375609714 1020755613 /nfs/dbraw/zinc/75/56/13/1020755613.db2.gz BUHLXAFAHDSCRW-LJQANCHMSA-N 2 2 333.520 4.240 20 0 EIADLP CCC(CC)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655703392 1020905307 /nfs/dbraw/zinc/90/53/07/1020905307.db2.gz PEKODUHNAWMHIU-PKOBYXMFSA-N 2 2 336.545 4.068 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478323 1021098435 /nfs/dbraw/zinc/09/84/35/1021098435.db2.gz IXEKSDIOGODYNL-HOTGVXAUSA-N 2 2 327.447 4.097 20 0 EIADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000414070212 1021788958 /nfs/dbraw/zinc/78/89/58/1021788958.db2.gz SGVMRXVSKULILC-MOPGFXCFSA-N 2 2 341.499 4.003 20 0 EIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC1(C)C ZINC000414136069 1021909428 /nfs/dbraw/zinc/90/94/28/1021909428.db2.gz HPOXVHHLTMMVDZ-SSHXOBKSSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000414216234 1022185236 /nfs/dbraw/zinc/18/52/36/1022185236.db2.gz ZHPPYLBSJUZTFU-UHFFFAOYSA-N 2 2 331.463 4.302 20 0 EIADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261716862 1022687648 /nfs/dbraw/zinc/68/76/48/1022687648.db2.gz QGAIYBKOGOJQDM-ZDUSSCGKSA-N 2 2 342.405 4.110 20 0 EIADLP Cc1[nH]c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)nc1-c1ccccc1 ZINC000378355749 1022741101 /nfs/dbraw/zinc/74/11/01/1022741101.db2.gz QEVIBLBUDIKQDW-RTBURBONSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)nc1-c1ccccc1 ZINC000378355749 1022741132 /nfs/dbraw/zinc/74/11/32/1022741132.db2.gz QEVIBLBUDIKQDW-RTBURBONSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355749 1022741151 /nfs/dbraw/zinc/74/11/51/1022741151.db2.gz QEVIBLBUDIKQDW-RTBURBONSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355749 1022741175 /nfs/dbraw/zinc/74/11/75/1022741175.db2.gz QEVIBLBUDIKQDW-RTBURBONSA-N 2 2 338.499 4.006 20 0 EIADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000376492034 1022834305 /nfs/dbraw/zinc/83/43/05/1022834305.db2.gz OEPJWSGZOWKCOO-ZBFHGGJFSA-N 2 2 339.439 4.002 20 0 EIADLP Cc1c[nH+]c(CNc2ccccc2C[N@H+](C)C2CCCCC2)n1C ZINC000341296607 1023542591 /nfs/dbraw/zinc/54/25/91/1023542591.db2.gz ZHHBCLXRGHDMJU-UHFFFAOYSA-N 2 2 326.488 4.105 20 0 EIADLP Cc1c[nH+]c(CNc2ccccc2C[N@@H+](C)C2CCCCC2)n1C ZINC000341296607 1023542601 /nfs/dbraw/zinc/54/26/01/1023542601.db2.gz ZHHBCLXRGHDMJU-UHFFFAOYSA-N 2 2 326.488 4.105 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038056 1023659083 /nfs/dbraw/zinc/65/90/83/1023659083.db2.gz QQPCJQZBGFWZKF-MGPUTAFESA-N 2 2 346.877 4.479 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038056 1023659088 /nfs/dbraw/zinc/65/90/88/1023659088.db2.gz QQPCJQZBGFWZKF-MGPUTAFESA-N 2 2 346.877 4.479 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cncc(C)c2)c(C)c1 ZINC000343864871 1023672080 /nfs/dbraw/zinc/67/20/80/1023672080.db2.gz RAZZQCIHQUABOJ-GHTZIAJQSA-N 2 2 334.467 4.295 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cncc(C)c2)c(C)c1 ZINC000343864883 1023677184 /nfs/dbraw/zinc/67/71/84/1023677184.db2.gz RAZZQCIHQUABOJ-WIYYLYMNSA-N 2 2 334.467 4.295 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390571487 1023689627 /nfs/dbraw/zinc/68/96/27/1023689627.db2.gz CDBRIKKAWXPLMM-KURKYZTESA-N 2 2 340.433 4.362 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390571487 1023689640 /nfs/dbraw/zinc/68/96/40/1023689640.db2.gz CDBRIKKAWXPLMM-KURKYZTESA-N 2 2 340.433 4.362 20 0 EIADLP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000364373194 1023690642 /nfs/dbraw/zinc/69/06/42/1023690642.db2.gz GCCXWFVACDCQNZ-OAHLLOKOSA-N 2 2 330.497 4.072 20 0 EIADLP CSc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481514 1023863095 /nfs/dbraw/zinc/86/30/95/1023863095.db2.gz PEFQGNWGYSSOTH-QGZVFWFLSA-N 2 2 341.524 4.321 20 0 EIADLP CSc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481514 1023863097 /nfs/dbraw/zinc/86/30/97/1023863097.db2.gz PEFQGNWGYSSOTH-QGZVFWFLSA-N 2 2 341.524 4.321 20 0 EIADLP Cc1cc(OCCC[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000510707998 1024290411 /nfs/dbraw/zinc/29/04/11/1024290411.db2.gz ZHPRUTDHICFNQH-CVEARBPZSA-N 2 2 335.879 4.071 20 0 EIADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000510757340 1024393823 /nfs/dbraw/zinc/39/38/23/1024393823.db2.gz WITAJILULVHNPQ-HNNXBMFYSA-N 2 2 333.426 4.163 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2cc(Br)ccc2o1 ZINC000020506181 1024481796 /nfs/dbraw/zinc/48/17/96/1024481796.db2.gz FEKZBOIOCAWHPK-GFCCVEGCSA-N 2 2 348.244 4.133 20 0 EIADLP CCC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000431099550 1024594178 /nfs/dbraw/zinc/59/41/78/1024594178.db2.gz JIMFGPVTYYFAOD-UHFFFAOYSA-N 2 2 347.890 4.267 20 0 EIADLP CCC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000431099550 1024594202 /nfs/dbraw/zinc/59/42/02/1024594202.db2.gz JIMFGPVTYYFAOD-UHFFFAOYSA-N 2 2 347.890 4.267 20 0 EIADLP Cc1c2cccc(Cl)c2sc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000549823389 1033256871 /nfs/dbraw/zinc/25/68/71/1033256871.db2.gz QVVUHHCBKYTMRV-NSHDSACASA-N 2 2 331.872 4.233 20 0 EIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347068 1025142774 /nfs/dbraw/zinc/14/27/74/1025142774.db2.gz HIOYQSQVTUJGLS-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP c1sc(-c2ccccc2)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347068 1025142778 /nfs/dbraw/zinc/14/27/78/1025142778.db2.gz HIOYQSQVTUJGLS-QGZVFWFLSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)F)cc1 ZINC000121346351 1025204991 /nfs/dbraw/zinc/20/49/91/1025204991.db2.gz WOYWULORHOILMP-CQSZACIVSA-N 2 2 347.409 4.003 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)c[nH+]1 ZINC000151318831 1025281284 /nfs/dbraw/zinc/28/12/84/1025281284.db2.gz ALSGEEBHBOOYRW-LJQANCHMSA-N 2 2 335.476 4.258 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092750026 1025500184 /nfs/dbraw/zinc/50/01/84/1025500184.db2.gz VNNLBSRHJYMNIQ-HZPDHXFCSA-N 2 2 327.447 4.097 20 0 EIADLP Fc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C(F)F ZINC000892086228 1025684531 /nfs/dbraw/zinc/68/45/31/1025684531.db2.gz ODZQGRRAVKMWNA-HNNXBMFYSA-N 2 2 326.406 4.214 20 0 EIADLP Fc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C(F)F ZINC000892086228 1025684561 /nfs/dbraw/zinc/68/45/61/1025684561.db2.gz ODZQGRRAVKMWNA-HNNXBMFYSA-N 2 2 326.406 4.214 20 0 EIADLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1F ZINC000432410848 1025879209 /nfs/dbraw/zinc/87/92/09/1025879209.db2.gz SFVGMORSVQGXDK-PBHICJAKSA-N 2 2 342.886 4.021 20 0 EIADLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1F ZINC000432410848 1025879218 /nfs/dbraw/zinc/87/92/18/1025879218.db2.gz SFVGMORSVQGXDK-PBHICJAKSA-N 2 2 342.886 4.021 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415519 1025884569 /nfs/dbraw/zinc/88/45/69/1025884569.db2.gz CWESGZXCEOBIGX-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415519 1025884572 /nfs/dbraw/zinc/88/45/72/1025884572.db2.gz CWESGZXCEOBIGX-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414129 1025889342 /nfs/dbraw/zinc/88/93/42/1025889342.db2.gz QICXMEDQBPOWHP-DLBZAZTESA-N 2 2 344.499 4.147 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414129 1025889343 /nfs/dbraw/zinc/88/93/43/1025889343.db2.gz QICXMEDQBPOWHP-DLBZAZTESA-N 2 2 344.499 4.147 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000187834653 1025898826 /nfs/dbraw/zinc/89/88/26/1025898826.db2.gz ZUPBFIVEDLNDKW-SFHVURJKSA-N 2 2 327.378 4.391 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)s1 ZINC000512114584 1026036552 /nfs/dbraw/zinc/03/65/52/1026036552.db2.gz HOTYFGJOFBYEFP-IBGZPJMESA-N 2 2 329.513 4.226 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCCO2 ZINC000344140182 1026053882 /nfs/dbraw/zinc/05/38/82/1026053882.db2.gz ZVNMRGZEOLXFMY-QGZVFWFLSA-N 2 2 343.427 4.076 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829921 1026195174 /nfs/dbraw/zinc/19/51/74/1026195174.db2.gz QWVFWHUQOGLJPV-HXUWFJFHSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829921 1026195188 /nfs/dbraw/zinc/19/51/88/1026195188.db2.gz QWVFWHUQOGLJPV-HXUWFJFHSA-N 2 2 332.451 4.159 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000152245886 1026245957 /nfs/dbraw/zinc/24/59/57/1026245957.db2.gz HGACCOWPVFFDSD-GOSISDBHSA-N 2 2 327.378 4.391 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363812 1026304044 /nfs/dbraw/zinc/30/40/44/1026304044.db2.gz PJDDNNJCJMCJIX-JJHAYVRDSA-N 2 2 341.543 4.241 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363812 1026304059 /nfs/dbraw/zinc/30/40/59/1026304059.db2.gz PJDDNNJCJMCJIX-JJHAYVRDSA-N 2 2 341.543 4.241 20 0 EIADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)cc1 ZINC000163049151 1026349726 /nfs/dbraw/zinc/34/97/26/1026349726.db2.gz PZKGALLCTMTQQZ-OAQYLSRUSA-N 2 2 339.483 4.046 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc2ccccc12 ZINC000550239152 1026392448 /nfs/dbraw/zinc/39/24/48/1026392448.db2.gz QUHLHPRDVBRMGS-FQEVSTJZSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)nc2ccccc12 ZINC000550239152 1026392465 /nfs/dbraw/zinc/39/24/65/1026392465.db2.gz QUHLHPRDVBRMGS-FQEVSTJZSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)nc2ccccc12 ZINC000550239152 1026392483 /nfs/dbraw/zinc/39/24/83/1026392483.db2.gz QUHLHPRDVBRMGS-FQEVSTJZSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)nc2ccccc12 ZINC000550239152 1026392496 /nfs/dbraw/zinc/39/24/96/1026392496.db2.gz QUHLHPRDVBRMGS-FQEVSTJZSA-N 2 2 343.902 4.114 20 0 EIADLP CCOc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000657381775 1026393661 /nfs/dbraw/zinc/39/36/61/1026393661.db2.gz RHZADLXUKCICAS-NRFANRHFSA-N 2 2 349.478 4.201 20 0 EIADLP C[C@@H](Nc1[nH+]ccc2c(N)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663778566 1026577018 /nfs/dbraw/zinc/57/70/18/1026577018.db2.gz GBCOVTHNSDLJEB-AEFFLSMTSA-N 2 2 346.478 4.140 20 0 EIADLP C[C@@H](Nc1[nH+]ccc2c(N)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663778566 1026577021 /nfs/dbraw/zinc/57/70/21/1026577021.db2.gz GBCOVTHNSDLJEB-AEFFLSMTSA-N 2 2 346.478 4.140 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000582427322 1026619350 /nfs/dbraw/zinc/61/93/50/1026619350.db2.gz KFICDQICLISYIU-UIFIKXQLSA-N 2 2 332.532 4.037 20 0 EIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000124345952 1026809066 /nfs/dbraw/zinc/80/90/66/1026809066.db2.gz AKFQXNQEEJCOQH-ZDUSSCGKSA-N 2 2 333.838 4.194 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000507495402 1026810952 /nfs/dbraw/zinc/81/09/52/1026810952.db2.gz MHEJMZIILCJWBB-ZWKOTPCHSA-N 2 2 325.500 4.205 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000507495402 1026810955 /nfs/dbraw/zinc/81/09/55/1026810955.db2.gz MHEJMZIILCJWBB-ZWKOTPCHSA-N 2 2 325.500 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000507495401 1026811275 /nfs/dbraw/zinc/81/12/75/1026811275.db2.gz MHEJMZIILCJWBB-ROUUACIJSA-N 2 2 325.500 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000507495401 1026811283 /nfs/dbraw/zinc/81/12/83/1026811283.db2.gz MHEJMZIILCJWBB-ROUUACIJSA-N 2 2 325.500 4.205 20 0 EIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152743119 1026835486 /nfs/dbraw/zinc/83/54/86/1026835486.db2.gz PTJBDVLOXNCYRU-AWEZNQCLSA-N 2 2 349.425 4.023 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684953849 1026889388 /nfs/dbraw/zinc/88/93/88/1026889388.db2.gz TUMBHDSAQJXRFK-NRFANRHFSA-N 2 2 335.495 4.022 20 0 EIADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000474479041 1027095809 /nfs/dbraw/zinc/09/58/09/1027095809.db2.gz WYYOGFRVPWEULA-HZPDHXFCSA-N 2 2 331.529 4.254 20 0 EIADLP C[N@@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301890923 1027132030 /nfs/dbraw/zinc/13/20/30/1027132030.db2.gz RALLHAGOKXDFEM-CXAGYDPISA-N 2 2 326.469 4.119 20 0 EIADLP C[N@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301890923 1027132046 /nfs/dbraw/zinc/13/20/46/1027132046.db2.gz RALLHAGOKXDFEM-CXAGYDPISA-N 2 2 326.469 4.119 20 0 EIADLP COc1cccc2c(NC[C@@H](c3cccs3)[NH+](C)C)cc[nH+]c12 ZINC000302396809 1027305739 /nfs/dbraw/zinc/30/57/39/1027305739.db2.gz DEEAXUFXSODUQR-HNNXBMFYSA-N 2 2 327.453 4.020 20 0 EIADLP Cc1cc(Cl)ccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657648600 1027392517 /nfs/dbraw/zinc/39/25/17/1027392517.db2.gz MGNQKANQJLQVRZ-IBGZPJMESA-N 2 2 339.870 4.456 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474821160 1027542787 /nfs/dbraw/zinc/54/27/87/1027542787.db2.gz JNSUMNOWWWQIMS-ZIAGYGMSSA-N 2 2 326.937 4.413 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474821160 1027542799 /nfs/dbraw/zinc/54/27/99/1027542799.db2.gz JNSUMNOWWWQIMS-ZIAGYGMSSA-N 2 2 326.937 4.413 20 0 EIADLP CC(C)OC1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090771642 1027595149 /nfs/dbraw/zinc/59/51/49/1027595149.db2.gz WMLARPSGDDYOBW-PPDQVPDSSA-N 2 2 327.472 4.259 20 0 EIADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000475561340 1027635808 /nfs/dbraw/zinc/63/58/08/1027635808.db2.gz XXXZTICVNIKXPP-QUCCMNQESA-N 2 2 335.426 4.437 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C/C(Cl)=C\Cl ZINC000588560106 1027771511 /nfs/dbraw/zinc/77/15/11/1027771511.db2.gz ITABXCVKQSYDBS-NGEWYQDGSA-N 2 2 327.299 4.052 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C/C(Cl)=C\Cl ZINC000588560106 1027771565 /nfs/dbraw/zinc/77/15/65/1027771565.db2.gz ITABXCVKQSYDBS-NGEWYQDGSA-N 2 2 327.299 4.052 20 0 EIADLP CC(C)(C)c1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000058579785 1027817038 /nfs/dbraw/zinc/81/70/38/1027817038.db2.gz ARFWBCDNAADJKL-UHFFFAOYSA-N 2 2 333.520 4.060 20 0 EIADLP C[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000444667177 1027952598 /nfs/dbraw/zinc/95/25/98/1027952598.db2.gz SEBADYRRBFCSPQ-MAUKXSAKSA-N 2 2 344.528 4.470 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000444667177 1027952611 /nfs/dbraw/zinc/95/26/11/1027952611.db2.gz SEBADYRRBFCSPQ-MAUKXSAKSA-N 2 2 344.528 4.470 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444717473 1028013639 /nfs/dbraw/zinc/01/36/39/1028013639.db2.gz SLQDTYUFQLAAGU-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444717473 1028013662 /nfs/dbraw/zinc/01/36/62/1028013662.db2.gz SLQDTYUFQLAAGU-UHFFFAOYSA-N 2 2 327.378 4.091 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc[nH+]c3cc(Cl)ccc13)CCC2 ZINC000443894966 1028028193 /nfs/dbraw/zinc/02/81/93/1028028193.db2.gz JGATUMKMCLURKA-CYBMUJFWSA-N 2 2 326.831 4.383 20 0 EIADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346132269 1028272525 /nfs/dbraw/zinc/27/25/25/1028272525.db2.gz KSYZKGXHYCFBAU-LBPRGKRZSA-N 2 2 332.498 4.200 20 0 EIADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346132269 1028272546 /nfs/dbraw/zinc/27/25/46/1028272546.db2.gz KSYZKGXHYCFBAU-LBPRGKRZSA-N 2 2 332.498 4.200 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000346160427 1028295804 /nfs/dbraw/zinc/29/58/04/1028295804.db2.gz WQRBORBOXXWDFF-HNNXBMFYSA-N 2 2 340.858 4.422 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000346160427 1028295823 /nfs/dbraw/zinc/29/58/23/1028295823.db2.gz WQRBORBOXXWDFF-HNNXBMFYSA-N 2 2 340.858 4.422 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C3CC3)C3CCC(C)CC3)sc2C1 ZINC000346172358 1028304609 /nfs/dbraw/zinc/30/46/09/1028304609.db2.gz LMBOQHXUFSDWGJ-UHFFFAOYSA-N 2 2 347.572 4.453 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C3CC3)C3CCC(C)CC3)sc2C1 ZINC000346172358 1028304635 /nfs/dbraw/zinc/30/46/35/1028304635.db2.gz LMBOQHXUFSDWGJ-UHFFFAOYSA-N 2 2 347.572 4.453 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C3CC3)C3CCC(C)CC3)sc2C1 ZINC000346172358 1028304654 /nfs/dbraw/zinc/30/46/54/1028304654.db2.gz LMBOQHXUFSDWGJ-UHFFFAOYSA-N 2 2 347.572 4.453 20 0 EIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C3CC3)C3CCC(C)CC3)sc2C1 ZINC000346172358 1028304677 /nfs/dbraw/zinc/30/46/77/1028304677.db2.gz LMBOQHXUFSDWGJ-UHFFFAOYSA-N 2 2 347.572 4.453 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000346179711 1028306747 /nfs/dbraw/zinc/30/67/47/1028306747.db2.gz JKRZTCFEIIQCHU-QFIPXVFZSA-N 2 2 331.463 4.034 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000346179711 1028306767 /nfs/dbraw/zinc/30/67/67/1028306767.db2.gz JKRZTCFEIIQCHU-QFIPXVFZSA-N 2 2 331.463 4.034 20 0 EIADLP c1cn(-c2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)c[nH+]1 ZINC000523732993 1028340893 /nfs/dbraw/zinc/34/08/93/1028340893.db2.gz HKIQCPABFYDCOT-UHFFFAOYSA-N 2 2 329.403 4.422 20 0 EIADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)nn(C)c1C ZINC000155154124 1028362472 /nfs/dbraw/zinc/36/24/72/1028362472.db2.gz CATDCVUYBNNRMG-IFXJQAMLSA-N 2 2 337.471 4.025 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nc(C)cs1 ZINC000150968265 1028648663 /nfs/dbraw/zinc/64/86/63/1028648663.db2.gz WURBWJKWCRCMDD-IBGZPJMESA-N 2 2 343.540 4.199 20 0 EIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156263902 1028685168 /nfs/dbraw/zinc/68/51/68/1028685168.db2.gz DNZLMNMUWFJQNC-AWEZNQCLSA-N 2 2 345.874 4.063 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)o1 ZINC000278351080 1028957561 /nfs/dbraw/zinc/95/75/61/1028957561.db2.gz ZDAIINHYLNNQIT-CYBMUJFWSA-N 2 2 327.403 4.380 20 0 EIADLP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000324478011 1029067476 /nfs/dbraw/zinc/06/74/76/1029067476.db2.gz CCSMKGOUMHXGIR-CQSZACIVSA-N 2 2 327.378 4.044 20 0 EIADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151131432 1029141220 /nfs/dbraw/zinc/14/12/20/1029141220.db2.gz JIHSUXGPHNCCPC-QWHCGFSZSA-N 2 2 342.270 4.026 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000192709338 1029365029 /nfs/dbraw/zinc/36/50/29/1029365029.db2.gz XPEMDFUXENKURV-KRWDZBQOSA-N 2 2 339.483 4.190 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192807898 1029420232 /nfs/dbraw/zinc/42/02/32/1029420232.db2.gz DJTJWLUZDMOAOI-HUUCEWRRSA-N 2 2 339.414 4.432 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192807859 1029420707 /nfs/dbraw/zinc/42/07/07/1029420707.db2.gz DJTJWLUZDMOAOI-GJZGRUSLSA-N 2 2 339.414 4.432 20 0 EIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000192838057 1029425471 /nfs/dbraw/zinc/42/54/71/1029425471.db2.gz UDABRLZYAWWAMP-QFIPXVFZSA-N 2 2 336.479 4.001 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000151306714 1029473289 /nfs/dbraw/zinc/47/32/89/1029473289.db2.gz CQLZGEJIOQFDBK-QFIPXVFZSA-N 2 2 331.463 4.042 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc2c(s1)CCC2 ZINC000151335378 1029483422 /nfs/dbraw/zinc/48/34/22/1029483422.db2.gz KFHQEYPFSFEXDN-HNNXBMFYSA-N 2 2 337.492 4.332 20 0 EIADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000475336296 1029549160 /nfs/dbraw/zinc/54/91/60/1029549160.db2.gz NWORIRVQQKGLCH-QUCCMNQESA-N 2 2 335.426 4.437 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1C ZINC000475352772 1029565330 /nfs/dbraw/zinc/56/53/30/1029565330.db2.gz JAPIRBXHSGZGFP-HYOCIYNVSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1cc2c(cn1)C[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168063216 1029602600 /nfs/dbraw/zinc/60/26/00/1029602600.db2.gz MMGPALBMAUGMSB-QZTJIDSGSA-N 2 2 335.495 4.147 20 0 EIADLP Cc1cc2c(cn1)C[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168063216 1029602607 /nfs/dbraw/zinc/60/26/07/1029602607.db2.gz MMGPALBMAUGMSB-QZTJIDSGSA-N 2 2 335.495 4.147 20 0 EIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)C1 ZINC000446907879 1029636066 /nfs/dbraw/zinc/63/60/66/1029636066.db2.gz ZTIILTKKCJQGQA-UTKZUKDTSA-N 2 2 341.543 4.093 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccccn1 ZINC000159149417 1029665984 /nfs/dbraw/zinc/66/59/84/1029665984.db2.gz MENFWDIIJHUCFF-IBGZPJMESA-N 2 2 329.513 4.239 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000159201075 1029679894 /nfs/dbraw/zinc/67/98/94/1029679894.db2.gz LEBXDSKPWLTGMP-RIFZZMRRSA-N 2 2 343.902 4.469 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000159201075 1029679900 /nfs/dbraw/zinc/67/99/00/1029679900.db2.gz LEBXDSKPWLTGMP-RIFZZMRRSA-N 2 2 343.902 4.469 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000447067357 1029681337 /nfs/dbraw/zinc/68/13/37/1029681337.db2.gz NLDQDZQFLVUOAF-UHFFFAOYSA-N 2 2 339.414 4.054 20 0 EIADLP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000159355757 1029700749 /nfs/dbraw/zinc/70/07/49/1029700749.db2.gz HRQWCPURFIUKJN-SFHVURJKSA-N 2 2 340.515 4.088 20 0 EIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)Cc1ccsc1 ZINC000428470049 1029706279 /nfs/dbraw/zinc/70/62/79/1029706279.db2.gz YIMXAKAIEKTYKC-AWEZNQCLSA-N 2 2 331.510 4.448 20 0 EIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)Cc1ccsc1 ZINC000428470049 1029706286 /nfs/dbraw/zinc/70/62/86/1029706286.db2.gz YIMXAKAIEKTYKC-AWEZNQCLSA-N 2 2 331.510 4.448 20 0 EIADLP c1cn(Cc2ccccc2)c(CCNc2cc[nH+]c3ccsc32)[nH+]1 ZINC000301382137 1029721421 /nfs/dbraw/zinc/72/14/21/1029721421.db2.gz ZSDIIBKFGAPXPP-UHFFFAOYSA-N 2 2 334.448 4.196 20 0 EIADLP Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080961426 1029766386 /nfs/dbraw/zinc/76/63/86/1029766386.db2.gz NFLOMWRETOOKQK-AWEZNQCLSA-N 2 2 342.830 4.098 20 0 EIADLP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000080961426 1029766394 /nfs/dbraw/zinc/76/63/94/1029766394.db2.gz NFLOMWRETOOKQK-AWEZNQCLSA-N 2 2 342.830 4.098 20 0 EIADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000301800689 1029810587 /nfs/dbraw/zinc/81/05/87/1029810587.db2.gz SGSUXOPPUNQNOF-UHFFFAOYSA-N 2 2 348.372 4.285 20 0 EIADLP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)s1 ZINC000090888790 1029865196 /nfs/dbraw/zinc/86/51/96/1029865196.db2.gz CAGHYNRBOTYZPX-LBPRGKRZSA-N 2 2 326.469 4.105 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3ccc(C)cc3)o1)CCC2 ZINC000525695164 1029937731 /nfs/dbraw/zinc/93/77/31/1029937731.db2.gz ZLXWQVFJROJORP-GOSISDBHSA-N 2 2 335.451 4.427 20 0 EIADLP Clc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390856866 1030068959 /nfs/dbraw/zinc/06/89/59/1030068959.db2.gz GROLTGSZIJDQRU-YQQQUEKLSA-N 2 2 341.886 4.020 20 0 EIADLP Clc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390856866 1030068976 /nfs/dbraw/zinc/06/89/76/1030068976.db2.gz GROLTGSZIJDQRU-YQQQUEKLSA-N 2 2 341.886 4.020 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222732 1030215896 /nfs/dbraw/zinc/21/58/96/1030215896.db2.gz RCPYHKQIIOQLGI-KKSFZXQISA-N 2 2 336.479 4.297 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCSCC2)c(C)c1 ZINC000657930747 1030621753 /nfs/dbraw/zinc/62/17/53/1030621753.db2.gz KOPXZSVPTMULPC-HKUYNNGSSA-N 2 2 329.513 4.117 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000685662151 1030659525 /nfs/dbraw/zinc/65/95/25/1030659525.db2.gz LORPKLNWPUXEMH-RHSMWYFYSA-N 2 2 337.389 4.273 20 0 EIADLP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nc(C)cs1 ZINC000192112459 1030675106 /nfs/dbraw/zinc/67/51/06/1030675106.db2.gz FFBVUDMFAACGKJ-IBGZPJMESA-N 2 2 340.496 4.361 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCCCC[C@@H]3c3ccncc3)cc2)c[nH+]1 ZINC000101544806 1030713057 /nfs/dbraw/zinc/71/30/57/1030713057.db2.gz VMVICNVHJWVSNM-OAQYLSRUSA-N 2 2 332.451 4.385 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCCCC[C@@H]3c3ccncc3)cc2)c[nH+]1 ZINC000101544806 1030713076 /nfs/dbraw/zinc/71/30/76/1030713076.db2.gz VMVICNVHJWVSNM-OAQYLSRUSA-N 2 2 332.451 4.385 20 0 EIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000192948442 1030726551 /nfs/dbraw/zinc/72/65/51/1030726551.db2.gz PNUANWKCLAYRNI-HZPDHXFCSA-N 2 2 348.450 4.243 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657980203 1030731749 /nfs/dbraw/zinc/73/17/49/1030731749.db2.gz LRKUFIVNMYEGJO-QILLFSRXSA-N 2 2 329.875 4.167 20 0 EIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C(F)F ZINC000657998994 1030767379 /nfs/dbraw/zinc/76/73/79/1030767379.db2.gz QPVXCKQRYSMTAO-QFWMXSHPSA-N 2 2 342.396 4.061 20 0 EIADLP O=C(c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193477667 1030796869 /nfs/dbraw/zinc/79/68/69/1030796869.db2.gz PUAFOZBUFMXOMJ-UHFFFAOYSA-N 2 2 348.918 4.111 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3cc(F)c(Cl)cc31)CCC2 ZINC000527860579 1030882540 /nfs/dbraw/zinc/88/25/40/1030882540.db2.gz AYVNMILORIJWRQ-CXAGYDPISA-N 2 2 333.838 4.139 20 0 EIADLP Cc1ccc(N([C@H](C)Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)[nH+]c1 ZINC001168190736 1030920419 /nfs/dbraw/zinc/92/04/19/1030920419.db2.gz CVRQXQWKIVJCHG-MRXNPFEDSA-N 2 2 343.902 4.233 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000658292855 1030960141 /nfs/dbraw/zinc/96/01/41/1030960141.db2.gz CDRCWNKCOPJWNO-UGKGYDQZSA-N 2 2 338.495 4.134 20 0 EIADLP c1[nH+]c([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)n2c1CCCC2 ZINC000528000819 1031024558 /nfs/dbraw/zinc/02/45/58/1031024558.db2.gz HSXPYPFZIFXFFB-KRWDZBQOSA-N 2 2 332.451 4.152 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015850 1031063457 /nfs/dbraw/zinc/06/34/57/1031063457.db2.gz ZIGHIUJXVXBFPY-HTAPYJJXSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015850 1031063479 /nfs/dbraw/zinc/06/34/79/1031063479.db2.gz ZIGHIUJXVXBFPY-HTAPYJJXSA-N 2 2 335.495 4.416 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cn1 ZINC000528045187 1031081402 /nfs/dbraw/zinc/08/14/02/1031081402.db2.gz YDJJPCGZKFZJKT-QVKFZJNVSA-N 2 2 348.450 4.078 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000340295783 1031206957 /nfs/dbraw/zinc/20/69/57/1031206957.db2.gz QLXRPDWSNRMHIT-IHPCNDPISA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000340295783 1031206977 /nfs/dbraw/zinc/20/69/77/1031206977.db2.gz QLXRPDWSNRMHIT-IHPCNDPISA-N 2 2 340.442 4.074 20 0 EIADLP Cc1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)nc2ccccc12 ZINC000375809210 1031271415 /nfs/dbraw/zinc/27/14/15/1031271415.db2.gz DULUWVJKOBDADU-KRWDZBQOSA-N 2 2 349.482 4.095 20 0 EIADLP Cc1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)nc2ccccc12 ZINC000375809210 1031271435 /nfs/dbraw/zinc/27/14/35/1031271435.db2.gz DULUWVJKOBDADU-KRWDZBQOSA-N 2 2 349.482 4.095 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449069128 1031420791 /nfs/dbraw/zinc/42/07/91/1031420791.db2.gz WGFLWNCTCFEBNV-UHFFFAOYSA-N 3 2 337.596 4.128 20 0 EIADLP c1ccc(NCCCC[NH2+]C2CCC(OC3CCCC3)CC2)[nH+]c1 ZINC000449123478 1031460753 /nfs/dbraw/zinc/46/07/53/1031460753.db2.gz NCLBWIWKSBTMRP-UHFFFAOYSA-N 2 2 331.504 4.134 20 0 EIADLP COc1ccc2oc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)c(C)c2c1 ZINC000531684598 1031473665 /nfs/dbraw/zinc/47/36/65/1031473665.db2.gz IVHALLNXRBMYMD-OAHLLOKOSA-N 2 2 327.428 4.077 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000531696522 1031477933 /nfs/dbraw/zinc/47/79/33/1031477933.db2.gz KQAMAWHASNUBKZ-HNNXBMFYSA-N 2 2 339.414 4.179 20 0 EIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000453100430 1031557886 /nfs/dbraw/zinc/55/78/86/1031557886.db2.gz WWKILVORRVXKPN-QGZVFWFLSA-N 2 2 325.456 4.010 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093398 1031584612 /nfs/dbraw/zinc/58/46/12/1031584612.db2.gz RCJUIOYTVFWRDU-QZTJIDSGSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093398 1031584623 /nfs/dbraw/zinc/58/46/23/1031584623.db2.gz RCJUIOYTVFWRDU-QZTJIDSGSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093400 1031587282 /nfs/dbraw/zinc/58/72/82/1031587282.db2.gz RCJUIOYTVFWRDU-ZWKOTPCHSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ncc(-c2ccccc2)n1C ZINC000453093400 1031587300 /nfs/dbraw/zinc/58/73/00/1031587300.db2.gz RCJUIOYTVFWRDU-ZWKOTPCHSA-N 2 2 340.515 4.002 20 0 EIADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449268550 1031587943 /nfs/dbraw/zinc/58/79/43/1031587943.db2.gz HRYKDWUFMSBZIO-MRXNPFEDSA-N 2 2 347.547 4.420 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111091 1031604315 /nfs/dbraw/zinc/60/43/15/1031604315.db2.gz AYJPXFRDRPNOQA-ULQDDVLXSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111091 1031604328 /nfs/dbraw/zinc/60/43/28/1031604328.db2.gz AYJPXFRDRPNOQA-ULQDDVLXSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C)[NH+]1CCCCC1 ZINC000453196603 1031706748 /nfs/dbraw/zinc/70/67/48/1031706748.db2.gz QXGGJHUJAMSZOV-QZTJIDSGSA-N 2 2 340.515 4.002 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453257076 1031779403 /nfs/dbraw/zinc/77/94/03/1031779403.db2.gz URYISAAFTYPVSW-RFWXGWTQSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453257076 1031779421 /nfs/dbraw/zinc/77/94/21/1031779421.db2.gz URYISAAFTYPVSW-RFWXGWTQSA-N 2 2 349.522 4.002 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000531946876 1031857373 /nfs/dbraw/zinc/85/73/73/1031857373.db2.gz DVMFKXHMCFIUIG-SFHVURJKSA-N 2 2 349.478 4.142 20 0 EIADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168263174 1031859185 /nfs/dbraw/zinc/85/91/85/1031859185.db2.gz BNSLMHNPSFBANM-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168263174 1031859186 /nfs/dbraw/zinc/85/91/86/1031859186.db2.gz BNSLMHNPSFBANM-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168263174 1031859188 /nfs/dbraw/zinc/85/91/88/1031859188.db2.gz BNSLMHNPSFBANM-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168263174 1031859194 /nfs/dbraw/zinc/85/91/94/1031859194.db2.gz BNSLMHNPSFBANM-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453351329 1031878703 /nfs/dbraw/zinc/87/87/03/1031878703.db2.gz IHTZWQANTTZZCI-LPHOPBHVSA-N 2 2 327.497 4.152 20 0 EIADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453351329 1031878709 /nfs/dbraw/zinc/87/87/09/1031878709.db2.gz IHTZWQANTTZZCI-LPHOPBHVSA-N 2 2 327.497 4.152 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Oc2ccccc2)cn1 ZINC000453351970 1031882236 /nfs/dbraw/zinc/88/22/36/1031882236.db2.gz MYOUGIGIGOCXEG-OOKSDGMUSA-N 2 2 337.467 4.150 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Oc2ccccc2)cn1 ZINC000453351970 1031882244 /nfs/dbraw/zinc/88/22/44/1031882244.db2.gz MYOUGIGIGOCXEG-OOKSDGMUSA-N 2 2 337.467 4.150 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000453356224 1031885669 /nfs/dbraw/zinc/88/56/69/1031885669.db2.gz PCDVGKMHRVPSII-LNRIEFBSSA-N 2 2 327.497 4.086 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000453356224 1031885673 /nfs/dbraw/zinc/88/56/73/1031885673.db2.gz PCDVGKMHRVPSII-LNRIEFBSSA-N 2 2 327.497 4.086 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453373468 1031920482 /nfs/dbraw/zinc/92/04/82/1031920482.db2.gz OGTGHUHKZOHPDQ-UWJYYQICSA-N 2 2 346.478 4.494 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000512768720 1033893840 /nfs/dbraw/zinc/89/38/40/1033893840.db2.gz HYZHLHRXZYLVKK-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000512768720 1033893843 /nfs/dbraw/zinc/89/38/43/1033893843.db2.gz HYZHLHRXZYLVKK-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512768720 1033893851 /nfs/dbraw/zinc/89/38/51/1033893851.db2.gz HYZHLHRXZYLVKK-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000512768720 1033893857 /nfs/dbraw/zinc/89/38/57/1033893857.db2.gz HYZHLHRXZYLVKK-DYESRHJHSA-N 2 2 338.495 4.277 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000513073812 1034494793 /nfs/dbraw/zinc/49/47/93/1034494793.db2.gz GBDOOWZMHDZXBT-GHTZIAJQSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000513073812 1034494799 /nfs/dbraw/zinc/49/47/99/1034494799.db2.gz GBDOOWZMHDZXBT-GHTZIAJQSA-N 2 2 345.490 4.378 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489336 1034982213 /nfs/dbraw/zinc/98/22/13/1034982213.db2.gz HHSNQIFRGBAMCK-UWJYYQICSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489336 1034982221 /nfs/dbraw/zinc/98/22/21/1034982221.db2.gz HHSNQIFRGBAMCK-UWJYYQICSA-N 2 2 338.495 4.499 20 0 EIADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502053331 1035827425 /nfs/dbraw/zinc/82/74/25/1035827425.db2.gz QPZLAZLRVUWTMY-SFHLNBCPSA-N 2 2 344.543 4.445 20 0 EIADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323848 1036078171 /nfs/dbraw/zinc/07/81/71/1036078171.db2.gz XYSWYRIIIYWAFW-UYAOXDASSA-N 2 2 337.511 4.278 20 0 EIADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323848 1036078194 /nfs/dbraw/zinc/07/81/94/1036078194.db2.gz XYSWYRIIIYWAFW-UYAOXDASSA-N 2 2 337.511 4.278 20 0 EIADLP c1cn(Cc2cccc(-c3ccc4c(c3)C[NH2+]CC3(CCC3)O4)c2)c[nH+]1 ZINC000906159003 1036086282 /nfs/dbraw/zinc/08/62/82/1036086282.db2.gz OHFXWAYEOILRLP-UHFFFAOYSA-N 2 2 345.446 4.003 20 0 EIADLP c1cn(CCC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)c[nH+]1 ZINC000421334243 1036299305 /nfs/dbraw/zinc/29/93/05/1036299305.db2.gz PQMWOXSMZCTZMY-UHFFFAOYSA-N 2 2 349.482 4.042 20 0 EIADLP FC(F)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000421367989 1036315570 /nfs/dbraw/zinc/31/55/70/1036315570.db2.gz FKTAGOJCYWOVLB-QGZVFWFLSA-N 2 2 331.410 4.037 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000421820754 1036775608 /nfs/dbraw/zinc/77/56/08/1036775608.db2.gz NPRUIKSWSNYAPK-CQSZACIVSA-N 2 2 347.865 4.064 20 0 EIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000421838475 1036818352 /nfs/dbraw/zinc/81/83/52/1036818352.db2.gz VIGFMCSBTNWFRH-AWEZNQCLSA-N 2 2 336.907 4.406 20 0 EIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000421838478 1036818499 /nfs/dbraw/zinc/81/84/99/1036818499.db2.gz VIGFMCSBTNWFRH-CQSZACIVSA-N 2 2 336.907 4.406 20 0 EIADLP C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000486728359 1036832263 /nfs/dbraw/zinc/83/22/63/1036832263.db2.gz IBKNPNXFQJQMBN-AWEZNQCLSA-N 2 2 334.398 4.344 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000489803410 1036859904 /nfs/dbraw/zinc/85/99/04/1036859904.db2.gz UZEODCRMBCACGD-LEOXJPRUSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000489803410 1036859905 /nfs/dbraw/zinc/85/99/05/1036859905.db2.gz UZEODCRMBCACGD-LEOXJPRUSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000489803416 1036860563 /nfs/dbraw/zinc/86/05/63/1036860563.db2.gz UZEODCRMBCACGD-YSZBQJHXSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000489803416 1036860569 /nfs/dbraw/zinc/86/05/69/1036860569.db2.gz UZEODCRMBCACGD-YSZBQJHXSA-N 2 2 349.522 4.268 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000486940682 1036897759 /nfs/dbraw/zinc/89/77/59/1036897759.db2.gz SWRHXNGZSXQSNK-UHFFFAOYSA-N 2 2 341.842 4.214 20 0 EIADLP Clc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000599445326 1037008767 /nfs/dbraw/zinc/00/87/67/1037008767.db2.gz MPGJXVRGASUALV-UHFFFAOYSA-N 2 2 343.883 4.272 20 0 EIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271858306 1037038102 /nfs/dbraw/zinc/03/81/02/1037038102.db2.gz SSONYJXUGPHPHX-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C/C=C\c1ccncc1 ZINC000487283006 1037098672 /nfs/dbraw/zinc/09/86/72/1037098672.db2.gz XJLPMIQZJCEQBK-ICTHTSFCSA-N 2 2 349.522 4.157 20 0 EIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C/C=C\c1ccncc1 ZINC000487283006 1037098687 /nfs/dbraw/zinc/09/86/87/1037098687.db2.gz XJLPMIQZJCEQBK-ICTHTSFCSA-N 2 2 349.522 4.157 20 0 EIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Sc1ccccc1 ZINC000272626455 1037254946 /nfs/dbraw/zinc/25/49/46/1037254946.db2.gz ZLANINGHZDGHCI-AWEZNQCLSA-N 2 2 346.462 4.174 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000604415138 1037381483 /nfs/dbraw/zinc/38/14/83/1037381483.db2.gz XKDZCCPBCJWNLM-CVEARBPZSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000604415138 1037381498 /nfs/dbraw/zinc/38/14/98/1037381498.db2.gz XKDZCCPBCJWNLM-CVEARBPZSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379314 1037729617 /nfs/dbraw/zinc/72/96/17/1037729617.db2.gz VGOOKSMVVYWTHE-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1ccccc1CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379314 1037729637 /nfs/dbraw/zinc/72/96/37/1037729637.db2.gz VGOOKSMVVYWTHE-FQEVSTJZSA-N 2 2 337.511 4.340 20 0 EIADLP C[N@H+](CCn1cc[nH+]c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000499067669 1037802823 /nfs/dbraw/zinc/80/28/23/1037802823.db2.gz CRLTXBPQZPUVLN-IBGZPJMESA-N 2 2 343.833 4.397 20 0 EIADLP C[N@@H+](CCn1cc[nH+]c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000499067669 1037802825 /nfs/dbraw/zinc/80/28/25/1037802825.db2.gz CRLTXBPQZPUVLN-IBGZPJMESA-N 2 2 343.833 4.397 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC000422745045 1037822710 /nfs/dbraw/zinc/82/27/10/1037822710.db2.gz ULQQAESAYUWCMU-XZOQPEGZSA-N 3 2 349.522 4.153 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000422856909 1037846487 /nfs/dbraw/zinc/84/64/87/1037846487.db2.gz XLSYVQSTDOADLK-OAHLLOKOSA-N 2 2 325.456 4.056 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000422880411 1037853051 /nfs/dbraw/zinc/85/30/51/1037853051.db2.gz WXPKIRSBSBKRHO-MRFFXTKBSA-N 2 2 340.442 4.410 20 0 EIADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000422972897 1037892689 /nfs/dbraw/zinc/89/26/89/1037892689.db2.gz AVIPPPVXSUCALR-CWFSZBLJSA-N 2 2 339.483 4.129 20 0 EIADLP CCOc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2cccc(Cl)c2)cc1 ZINC000423003499 1037896530 /nfs/dbraw/zinc/89/65/30/1037896530.db2.gz MJEABTYSQOPUHV-JLTOFOAXSA-N 2 2 344.886 4.026 20 0 EIADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000414716820 1037949142 /nfs/dbraw/zinc/94/91/42/1037949142.db2.gz YISLERBHTRHCKF-OAHLLOKOSA-N 2 2 335.879 4.034 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503900567 1037976664 /nfs/dbraw/zinc/97/66/64/1037976664.db2.gz DYPRBULJMWAZRQ-KBRIMQKVSA-N 2 2 335.398 4.073 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000423240569 1038058210 /nfs/dbraw/zinc/05/82/10/1038058210.db2.gz KRPNLMFZVIOGMF-BEFAXECRSA-N 2 2 342.483 4.178 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)sc1Br ZINC000423250723 1038081924 /nfs/dbraw/zinc/08/19/24/1038081924.db2.gz QXYPECZUPMIQRG-WCQYABFASA-N 2 2 339.302 4.170 20 0 EIADLP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001168402827 1038181053 /nfs/dbraw/zinc/18/10/53/1038181053.db2.gz HBGMCUYWOYPGLG-FCHUYYIVSA-N 2 2 338.470 4.110 20 0 EIADLP c1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc3ccccc3n2)cc1 ZINC000423377526 1038190110 /nfs/dbraw/zinc/19/01/10/1038190110.db2.gz YWDNWRXQYDGFGX-KNQAVFIVSA-N 2 2 331.463 4.056 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173491013 1038374595 /nfs/dbraw/zinc/37/45/95/1038374595.db2.gz QUTBSYLNDYJBQC-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000173491013 1038374611 /nfs/dbraw/zinc/37/46/11/1038374611.db2.gz QUTBSYLNDYJBQC-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491013 1038374623 /nfs/dbraw/zinc/37/46/23/1038374623.db2.gz QUTBSYLNDYJBQC-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)n2)CC[NH+]1Cc1ccccc1 ZINC000173491013 1038374639 /nfs/dbraw/zinc/37/46/39/1038374639.db2.gz QUTBSYLNDYJBQC-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480756797 1038795290 /nfs/dbraw/zinc/79/52/90/1038795290.db2.gz AGDNEUYGKWAXCY-RHSMWYFYSA-N 2 2 328.422 4.218 20 0 EIADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480756797 1038795315 /nfs/dbraw/zinc/79/53/15/1038795315.db2.gz AGDNEUYGKWAXCY-RHSMWYFYSA-N 2 2 328.422 4.218 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000480771350 1038807740 /nfs/dbraw/zinc/80/77/40/1038807740.db2.gz OMTIIGUYMZCZSG-INIZCTEOSA-N 2 2 344.449 4.323 20 0 EIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000539221953 1038890460 /nfs/dbraw/zinc/89/04/60/1038890460.db2.gz HDNVFRMFVSJEIA-UHFFFAOYSA-N 2 2 349.478 4.374 20 0 EIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000539221953 1038890465 /nfs/dbraw/zinc/89/04/65/1038890465.db2.gz HDNVFRMFVSJEIA-UHFFFAOYSA-N 2 2 349.478 4.374 20 0 EIADLP CCC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000462114983 1038929328 /nfs/dbraw/zinc/92/93/28/1038929328.db2.gz ZYWJQDODZSUSDM-HXUWFJFHSA-N 2 2 346.559 4.267 20 0 EIADLP C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481016838 1038945068 /nfs/dbraw/zinc/94/50/68/1038945068.db2.gz BNJPLQVIOZVIBS-IBGZPJMESA-N 2 2 348.494 4.440 20 0 EIADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)o1 ZINC000539364620 1039026766 /nfs/dbraw/zinc/02/67/66/1039026766.db2.gz GEXKCSMVNSBRKY-HXUWFJFHSA-N 2 2 327.472 4.184 20 0 EIADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C2CC2)s1 ZINC000120816865 1039221113 /nfs/dbraw/zinc/22/11/13/1039221113.db2.gz JSBSHBKYTALZKD-GOSISDBHSA-N 2 2 333.545 4.289 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000550795758 1039305943 /nfs/dbraw/zinc/30/59/43/1039305943.db2.gz KKCKKFYSXCRPIY-PKOBYXMFSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000550795758 1039305964 /nfs/dbraw/zinc/30/59/64/1039305964.db2.gz KKCKKFYSXCRPIY-PKOBYXMFSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347171 1039455378 /nfs/dbraw/zinc/45/53/78/1039455378.db2.gz HILYAGPYAAWHLF-CAOKTKFFSA-N 2 2 332.919 4.392 20 0 EIADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347171 1039455407 /nfs/dbraw/zinc/45/54/07/1039455407.db2.gz HILYAGPYAAWHLF-CAOKTKFFSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347171 1039455430 /nfs/dbraw/zinc/45/54/30/1039455430.db2.gz HILYAGPYAAWHLF-CAOKTKFFSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347171 1039455447 /nfs/dbraw/zinc/45/54/47/1039455447.db2.gz HILYAGPYAAWHLF-CAOKTKFFSA-N 2 2 332.919 4.392 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514244614 1039805416 /nfs/dbraw/zinc/80/54/16/1039805416.db2.gz LCHCUIUANKJAGX-GJZGRUSLSA-N 2 2 336.907 4.091 20 0 EIADLP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000514244614 1039805421 /nfs/dbraw/zinc/80/54/21/1039805421.db2.gz LCHCUIUANKJAGX-GJZGRUSLSA-N 2 2 336.907 4.091 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745522 1039856913 /nfs/dbraw/zinc/85/69/13/1039856913.db2.gz KOPJSYMMZFBULC-VHFSOBRXSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745522 1039856916 /nfs/dbraw/zinc/85/69/16/1039856916.db2.gz KOPJSYMMZFBULC-VHFSOBRXSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434745522 1039856920 /nfs/dbraw/zinc/85/69/20/1039856920.db2.gz KOPJSYMMZFBULC-VHFSOBRXSA-N 2 2 345.437 4.046 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434745522 1039856923 /nfs/dbraw/zinc/85/69/23/1039856923.db2.gz KOPJSYMMZFBULC-VHFSOBRXSA-N 2 2 345.437 4.046 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCCC2)cc1 ZINC000553092243 1039973330 /nfs/dbraw/zinc/97/33/30/1039973330.db2.gz WQRJRSSYOGGHHF-NRFANRHFSA-N 2 2 341.474 4.422 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000482134403 1040030010 /nfs/dbraw/zinc/03/00/10/1040030010.db2.gz GBEQYBCTVSHBIQ-RDJZCZTQSA-N 2 2 347.528 4.393 20 0 EIADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194346820 1040282841 /nfs/dbraw/zinc/28/28/41/1040282841.db2.gz JMFLOCGNJSISMC-INIZCTEOSA-N 2 2 343.434 4.113 20 0 EIADLP Cc1cc(F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000425348823 1040309469 /nfs/dbraw/zinc/30/94/69/1040309469.db2.gz ZZJSPMRLMWWSDB-UHFFFAOYSA-N 2 2 345.437 4.186 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)F)cc1 ZINC000483122540 1040701865 /nfs/dbraw/zinc/70/18/65/1040701865.db2.gz SLTIPJUWYHLDKI-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483136645 1040714843 /nfs/dbraw/zinc/71/48/43/1040714843.db2.gz SFXJAOLZQSIUHN-ICSRJNTNSA-N 2 2 346.478 4.192 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483125322 1040717475 /nfs/dbraw/zinc/71/74/75/1040717475.db2.gz JDRLOOYSGGHYNB-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483133265 1040726749 /nfs/dbraw/zinc/72/67/49/1040726749.db2.gz HPJCDBCYSLNDFG-YCRPNKLZSA-N 2 2 335.426 4.425 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000436054033 1040857330 /nfs/dbraw/zinc/85/73/30/1040857330.db2.gz PBUSANDYLHZGNS-LSDHHAIUSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000436054033 1040857333 /nfs/dbraw/zinc/85/73/33/1040857333.db2.gz PBUSANDYLHZGNS-LSDHHAIUSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1)CCC2 ZINC000483444492 1040861387 /nfs/dbraw/zinc/86/13/87/1040861387.db2.gz FTLSARLIGQGWIN-MJGOQNOKSA-N 2 2 341.499 4.455 20 0 EIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000462802110 1040968135 /nfs/dbraw/zinc/96/81/35/1040968135.db2.gz LYSUGDCBKBKECE-JKSUJKDBSA-N 2 2 336.483 4.025 20 0 EIADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000462828646 1040985217 /nfs/dbraw/zinc/98/52/17/1040985217.db2.gz XZHIMBVXWJREOJ-UHFFFAOYSA-N 2 2 345.531 4.260 20 0 EIADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000483742336 1040994498 /nfs/dbraw/zinc/99/44/98/1040994498.db2.gz FSELFUWIKCXSDA-HZPDHXFCSA-N 2 2 325.481 4.463 20 0 EIADLP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000462836828 1041019403 /nfs/dbraw/zinc/01/94/03/1041019403.db2.gz DNWZSONLJQVGCG-HTAPYJJXSA-N 2 2 335.495 4.354 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000436280906 1041027481 /nfs/dbraw/zinc/02/74/81/1041027481.db2.gz LWESHEBMGMRTJG-REWPJTCUSA-N 2 2 345.490 4.432 20 0 EIADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540173662 1041218251 /nfs/dbraw/zinc/21/82/51/1041218251.db2.gz HGHVAIYIXKKUIN-UZLBHIALSA-N 2 2 333.435 4.273 20 0 EIADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000463026930 1041236352 /nfs/dbraw/zinc/23/63/52/1041236352.db2.gz DIXSXMCFUWSBML-KFKAGJAMSA-N 2 2 327.472 4.115 20 0 EIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463035473 1041255931 /nfs/dbraw/zinc/25/59/31/1041255931.db2.gz QMCYVJFTHKKLKL-CABCVRRESA-N 2 2 343.418 4.487 20 0 EIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463035473 1041255947 /nfs/dbraw/zinc/25/59/47/1041255947.db2.gz QMCYVJFTHKKLKL-CABCVRRESA-N 2 2 343.418 4.487 20 0 EIADLP Cc1cccc(C)c1OC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000538391674 1041311619 /nfs/dbraw/zinc/31/16/19/1041311619.db2.gz PBRPNUHWEUJUQR-OAQYLSRUSA-N 2 2 349.478 4.300 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000538553358 1041417136 /nfs/dbraw/zinc/41/71/36/1041417136.db2.gz DYUMVGSMGUDSCJ-UWJYYQICSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000538553358 1041417141 /nfs/dbraw/zinc/41/71/41/1041417141.db2.gz DYUMVGSMGUDSCJ-UWJYYQICSA-N 2 2 338.470 4.458 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480629418 1041432193 /nfs/dbraw/zinc/43/21/93/1041432193.db2.gz FMAFECGUGXJZFJ-ARFHVFGLSA-N 2 2 325.283 4.197 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480629418 1041432195 /nfs/dbraw/zinc/43/21/95/1041432195.db2.gz FMAFECGUGXJZFJ-ARFHVFGLSA-N 2 2 325.283 4.197 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480629420 1041432218 /nfs/dbraw/zinc/43/22/18/1041432218.db2.gz FMAFECGUGXJZFJ-JYJNAYRXSA-N 2 2 325.283 4.197 20 0 EIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480629420 1041432220 /nfs/dbraw/zinc/43/22/20/1041432220.db2.gz FMAFECGUGXJZFJ-JYJNAYRXSA-N 2 2 325.283 4.197 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000463278911 1041469691 /nfs/dbraw/zinc/46/96/91/1041469691.db2.gz DYQFHZBWTFYSAW-MRXNPFEDSA-N 2 2 344.449 4.323 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718939 1041490538 /nfs/dbraw/zinc/49/05/38/1041490538.db2.gz XZJNJSDKMJKRPS-SJLPKXTDSA-N 2 2 343.540 4.423 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718939 1041490541 /nfs/dbraw/zinc/49/05/41/1041490541.db2.gz XZJNJSDKMJKRPS-SJLPKXTDSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718939 1041490545 /nfs/dbraw/zinc/49/05/45/1041490545.db2.gz XZJNJSDKMJKRPS-SJLPKXTDSA-N 2 2 343.540 4.423 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)C[C@H]1C ZINC000538718939 1041490547 /nfs/dbraw/zinc/49/05/47/1041490547.db2.gz XZJNJSDKMJKRPS-SJLPKXTDSA-N 2 2 343.540 4.423 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167961295 1041502250 /nfs/dbraw/zinc/50/22/50/1041502250.db2.gz HNBQYUVCLPFLIF-ALOPSCKCSA-N 2 2 339.310 4.488 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167961295 1041502260 /nfs/dbraw/zinc/50/22/60/1041502260.db2.gz HNBQYUVCLPFLIF-ALOPSCKCSA-N 2 2 339.310 4.488 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732818 1041505093 /nfs/dbraw/zinc/50/50/93/1041505093.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732818 1041505104 /nfs/dbraw/zinc/50/51/04/1041505104.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732818 1041505121 /nfs/dbraw/zinc/50/51/21/1041505121.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732818 1041505138 /nfs/dbraw/zinc/50/51/38/1041505138.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732818 1041505149 /nfs/dbraw/zinc/50/51/49/1041505149.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732818 1041505163 /nfs/dbraw/zinc/50/51/63/1041505163.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732818 1041505178 /nfs/dbraw/zinc/50/51/78/1041505178.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732818 1041505187 /nfs/dbraw/zinc/50/51/87/1041505187.db2.gz VCQUWAALENFUEV-YLJYHZDGSA-N 2 2 348.494 4.048 20 0 EIADLP CC(C)=CCC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540789252 1041674014 /nfs/dbraw/zinc/67/40/14/1041674014.db2.gz TXYDPDHTTBEEJX-QGZVFWFLSA-N 2 2 330.520 4.159 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348329 1041898759 /nfs/dbraw/zinc/89/87/59/1041898759.db2.gz AKOZHBKJLCJWCB-WMZOPIPTSA-N 2 2 329.875 4.423 20 0 EIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000541348329 1041898762 /nfs/dbraw/zinc/89/87/62/1041898762.db2.gz AKOZHBKJLCJWCB-WMZOPIPTSA-N 2 2 329.875 4.423 20 0 EIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936778 1041984683 /nfs/dbraw/zinc/98/46/83/1041984683.db2.gz JPVZDYSRRQHCGK-UXHICEINSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000425936778 1041984695 /nfs/dbraw/zinc/98/46/95/1041984695.db2.gz JPVZDYSRRQHCGK-UXHICEINSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1sccc1Br ZINC000541557549 1042013284 /nfs/dbraw/zinc/01/32/84/1042013284.db2.gz PDYPPDIQRGEEHE-QWHCGFSZSA-N 2 2 345.350 4.426 20 0 EIADLP Clc1cccc2c1CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000541746718 1042086823 /nfs/dbraw/zinc/08/68/23/1042086823.db2.gz MGRLYDAMDAPJQW-LJQANCHMSA-N 2 2 341.886 4.371 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801019 1042166843 /nfs/dbraw/zinc/16/68/43/1042166843.db2.gz CFWSKQMAHQWMHI-UHFFFAOYSA-N 2 2 343.902 4.474 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801019 1042166845 /nfs/dbraw/zinc/16/68/45/1042166845.db2.gz CFWSKQMAHQWMHI-UHFFFAOYSA-N 2 2 343.902 4.474 20 0 EIADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841469 1042192804 /nfs/dbraw/zinc/19/28/04/1042192804.db2.gz XPHYZSPUYJAGTB-PKOBYXMFSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841469 1042192807 /nfs/dbraw/zinc/19/28/07/1042192807.db2.gz XPHYZSPUYJAGTB-PKOBYXMFSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841469 1042192811 /nfs/dbraw/zinc/19/28/11/1042192811.db2.gz XPHYZSPUYJAGTB-PKOBYXMFSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841469 1042192814 /nfs/dbraw/zinc/19/28/14/1042192814.db2.gz XPHYZSPUYJAGTB-PKOBYXMFSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841468 1042193349 /nfs/dbraw/zinc/19/33/49/1042193349.db2.gz XPHYZSPUYJAGTB-MJGOQNOKSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841468 1042193355 /nfs/dbraw/zinc/19/33/55/1042193355.db2.gz XPHYZSPUYJAGTB-MJGOQNOKSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841468 1042193358 /nfs/dbraw/zinc/19/33/58/1042193358.db2.gz XPHYZSPUYJAGTB-MJGOQNOKSA-N 2 2 326.459 4.341 20 0 EIADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841468 1042193368 /nfs/dbraw/zinc/19/33/68/1042193368.db2.gz XPHYZSPUYJAGTB-MJGOQNOKSA-N 2 2 326.459 4.341 20 0 EIADLP Clc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000542307996 1042380465 /nfs/dbraw/zinc/38/04/65/1042380465.db2.gz PVAYFTXGTPPMHC-UHFFFAOYSA-N 2 2 329.856 4.366 20 0 EIADLP c1cn(-c2ccc(C[NH+]3CCC(COc4ccccc4)CC3)cc2)c[nH+]1 ZINC000303558072 1042470766 /nfs/dbraw/zinc/47/07/66/1042470766.db2.gz WPGQSKZNBURQQL-UHFFFAOYSA-N 2 2 347.462 4.163 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000173434166 1042572784 /nfs/dbraw/zinc/57/27/84/1042572784.db2.gz MIIUGACFOAMCMQ-RTBURBONSA-N 2 2 338.495 4.237 20 0 EIADLP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167965514 1042800727 /nfs/dbraw/zinc/80/07/27/1042800727.db2.gz IRUYFSGHIGSLTG-ALOPSCKCSA-N 2 2 330.903 4.324 20 0 EIADLP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167965514 1042800729 /nfs/dbraw/zinc/80/07/29/1042800729.db2.gz IRUYFSGHIGSLTG-ALOPSCKCSA-N 2 2 330.903 4.324 20 0 EIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000427607024 1042932208 /nfs/dbraw/zinc/93/22/08/1042932208.db2.gz QERSXKZWWKSCBI-QFIPXVFZSA-N 2 2 333.479 4.288 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCCCCC2)CCOCC1)c1ccccc1 ZINC000152393468 1042965203 /nfs/dbraw/zinc/96/52/03/1042965203.db2.gz GPZFHGURKDMGBY-SFHVURJKSA-N 2 2 330.516 4.199 20 0 EIADLP CC(C)(C)c1csc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895113545 1043031921 /nfs/dbraw/zinc/03/19/21/1043031921.db2.gz GWDQRTAUJUWYJN-SHTZXODSSA-N 2 2 344.528 4.112 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576655 1043109759 /nfs/dbraw/zinc/10/97/59/1043109759.db2.gz VUGIKXOHIXCTIJ-RXVVDRJESA-N 2 2 327.516 4.162 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000184576655 1043109774 /nfs/dbraw/zinc/10/97/74/1043109774.db2.gz VUGIKXOHIXCTIJ-RXVVDRJESA-N 2 2 327.516 4.162 20 0 EIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427859693 1043236861 /nfs/dbraw/zinc/23/68/61/1043236861.db2.gz OZKCKFZZBXREFR-HUUCEWRRSA-N 2 2 335.904 4.012 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884809 1043249542 /nfs/dbraw/zinc/24/95/42/1043249542.db2.gz HGQPITDTQCEOKE-ICSRJNTNSA-N 2 2 337.854 4.231 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427883649 1043249676 /nfs/dbraw/zinc/24/96/76/1043249676.db2.gz REFIDFKMVMVKNK-IXDOHACOSA-N 2 2 349.400 4.143 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC3(CCCCC3)Oc3ccccc31)CC2 ZINC000427893856 1043255362 /nfs/dbraw/zinc/25/53/62/1043255362.db2.gz JSNWEZOBTIWQMI-FUHWJXTLSA-N 2 2 337.467 4.014 20 0 EIADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1C ZINC000347864774 1043255567 /nfs/dbraw/zinc/25/55/67/1043255567.db2.gz LSNIFVSRMYURNX-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1C ZINC000347864774 1043255576 /nfs/dbraw/zinc/25/55/76/1043255576.db2.gz LSNIFVSRMYURNX-GOSISDBHSA-N 2 2 329.513 4.159 20 0 EIADLP c1ccc2cc(OCC[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000059386993 1043357002 /nfs/dbraw/zinc/35/70/02/1043357002.db2.gz IFFGBKRUZOBXII-UHFFFAOYSA-N 2 2 338.495 4.169 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000428228520 1043377789 /nfs/dbraw/zinc/37/77/89/1043377789.db2.gz CKNSLCCCCNBDKW-FUHWJXTLSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000428228520 1043377801 /nfs/dbraw/zinc/37/78/01/1043377801.db2.gz CKNSLCCCCNBDKW-FUHWJXTLSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000428228520 1043377813 /nfs/dbraw/zinc/37/78/13/1043377813.db2.gz CKNSLCCCCNBDKW-FUHWJXTLSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000428228520 1043377824 /nfs/dbraw/zinc/37/78/24/1043377824.db2.gz CKNSLCCCCNBDKW-FUHWJXTLSA-N 2 2 333.520 4.193 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979538 1043410694 /nfs/dbraw/zinc/41/06/94/1043410694.db2.gz PLQUUCDCCXJPBE-MJGOQNOKSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979538 1043410703 /nfs/dbraw/zinc/41/07/03/1043410703.db2.gz PLQUUCDCCXJPBE-MJGOQNOKSA-N 2 2 346.540 4.417 20 0 EIADLP C[C@H]1CC([NH2+]Cc2cccc(F)c2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012606 1043445435 /nfs/dbraw/zinc/44/54/35/1043445435.db2.gz CVZOPQYSLYSQPL-HOTGVXAUSA-N 2 2 344.449 4.496 20 0 EIADLP Cn1cc[nH+]c1C[C@H](Nc1cc[nH+]c2ccsc21)c1ccccc1 ZINC000078558859 1043681965 /nfs/dbraw/zinc/68/19/65/1043681965.db2.gz FNBOVXADBSWSPL-KRWDZBQOSA-N 2 2 334.448 4.426 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000442633450 1043771529 /nfs/dbraw/zinc/77/15/29/1043771529.db2.gz JISQLTRJJBHLCN-WBVHZDCISA-N 2 2 326.406 4.027 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059218 1044071092 /nfs/dbraw/zinc/07/10/92/1044071092.db2.gz FSNUAMKBRPVXOC-UGKGYDQZSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059218 1044071111 /nfs/dbraw/zinc/07/11/11/1044071111.db2.gz FSNUAMKBRPVXOC-UGKGYDQZSA-N 2 2 341.543 4.013 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(C)(C)C ZINC000443193762 1044079684 /nfs/dbraw/zinc/07/96/84/1044079684.db2.gz NCWXCQVHMQWACG-GGPKGHCWSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(C)(C)C ZINC000443193762 1044079702 /nfs/dbraw/zinc/07/97/02/1044079702.db2.gz NCWXCQVHMQWACG-GGPKGHCWSA-N 2 2 331.548 4.344 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Br)cs1 ZINC000194071020 1044250307 /nfs/dbraw/zinc/25/03/07/1044250307.db2.gz SSMAYTROOFVVTR-NSHDSACASA-N 2 2 340.290 4.058 20 0 EIADLP CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658289227 1044257984 /nfs/dbraw/zinc/25/79/84/1044257984.db2.gz XOMBSCKRUXMIMB-MTNREXPMSA-N 2 2 349.478 4.281 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000474052510 1044312272 /nfs/dbraw/zinc/31/22/72/1044312272.db2.gz NAYCGABLTIIPOH-MRXNPFEDSA-N 2 2 347.453 4.278 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018727 1044334050 /nfs/dbraw/zinc/33/40/50/1044334050.db2.gz DCNDWEHIFDWQQH-BZSNNMDCSA-N 2 2 330.516 4.165 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1ccccc1 ZINC000474066005 1044338615 /nfs/dbraw/zinc/33/86/15/1044338615.db2.gz NOERLUZRCQTANF-OYNPSCLESA-N 2 2 344.543 4.301 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000194806025 1044369120 /nfs/dbraw/zinc/36/91/20/1044369120.db2.gz MXICXPZWZSQEKR-LJQANCHMSA-N 2 2 346.421 4.061 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042504 1044370753 /nfs/dbraw/zinc/37/07/53/1044370753.db2.gz NICWSZJSNNXFME-NJAFHUGGSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000348042504 1044370764 /nfs/dbraw/zinc/37/07/64/1044370764.db2.gz NICWSZJSNNXFME-NJAFHUGGSA-N 2 2 329.513 4.094 20 0 EIADLP Cc1ccccc1C[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919850 1044560192 /nfs/dbraw/zinc/56/01/92/1044560192.db2.gz JFZLLWWUJVRVAA-GHTZIAJQSA-N 2 2 333.479 4.233 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1F ZINC000675923029 1044562492 /nfs/dbraw/zinc/56/24/92/1044562492.db2.gz RDJMLRCUSDVKSU-IFXJQAMLSA-N 2 2 341.405 4.333 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc2c(c1)COC2 ZINC000675921483 1044563387 /nfs/dbraw/zinc/56/33/87/1044563387.db2.gz LSVWLIJEFLAVRD-IIBYNOLFSA-N 2 2 347.462 4.085 20 0 EIADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)s1 ZINC000676489587 1044769660 /nfs/dbraw/zinc/76/96/60/1044769660.db2.gz KKQARGRQFISQQX-NSHDSACASA-N 2 2 344.459 4.244 20 0 EIADLP CCC(CC)n1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000676556227 1044791232 /nfs/dbraw/zinc/79/12/32/1044791232.db2.gz PBIXHMCYUGPAPH-UHFFFAOYSA-N 2 2 346.563 4.332 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766214559 1044870423 /nfs/dbraw/zinc/87/04/23/1044870423.db2.gz XKAMIWKVOXNHJW-MJGOQNOKSA-N 2 2 326.459 4.277 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000766214559 1044870424 /nfs/dbraw/zinc/87/04/24/1044870424.db2.gz XKAMIWKVOXNHJW-MJGOQNOKSA-N 2 2 326.459 4.277 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154890 1044926261 /nfs/dbraw/zinc/92/62/61/1044926261.db2.gz YMXVZAHVKPFQDS-MNAPGUCWSA-N 2 2 345.490 4.486 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000474479535 1045021807 /nfs/dbraw/zinc/02/18/07/1045021807.db2.gz XZYIKTVYMRJZHR-DLBZAZTESA-N 2 2 335.451 4.163 20 0 EIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000922878868 1045023703 /nfs/dbraw/zinc/02/37/03/1045023703.db2.gz YYKBVMLTVVTKRZ-DZFGPLHGSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000922878868 1045023718 /nfs/dbraw/zinc/02/37/18/1045023718.db2.gz YYKBVMLTVVTKRZ-DZFGPLHGSA-N 2 2 335.495 4.102 20 0 EIADLP S=c1oc2cc(Cl)ccc2n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738150719 1045040494 /nfs/dbraw/zinc/04/04/94/1045040494.db2.gz XTVYFYHZQUNBFK-ZDUSSCGKSA-N 2 2 348.859 4.108 20 0 EIADLP S=c1oc2cc(Cl)ccc2n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738150719 1045040507 /nfs/dbraw/zinc/04/05/07/1045040507.db2.gz XTVYFYHZQUNBFK-ZDUSSCGKSA-N 2 2 348.859 4.108 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]CCCCNc3cccc[nH+]3)ccc2O1 ZINC000738431023 1045060401 /nfs/dbraw/zinc/06/04/01/1045060401.db2.gz XUMNFCHYPQGEDU-UHFFFAOYSA-N 2 2 339.483 4.167 20 0 EIADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000215637070 1045204635 /nfs/dbraw/zinc/20/46/35/1045204635.db2.gz XTFYBOUDASILKW-UHFFFAOYSA-N 2 2 327.255 4.295 20 0 EIADLP CC1(C)CC([NH2+]Cc2csc(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000236740188 1045364699 /nfs/dbraw/zinc/36/46/99/1045364699.db2.gz POXCCJKAKMHGOR-UHFFFAOYSA-N 2 2 329.513 4.209 20 0 EIADLP Clc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000237744178 1045394330 /nfs/dbraw/zinc/39/43/30/1045394330.db2.gz NRXXIKKKMWZMLW-FQEVSTJZSA-N 2 2 341.886 4.445 20 0 EIADLP Fc1cccc2c1SCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237799472 1045395849 /nfs/dbraw/zinc/39/58/49/1045395849.db2.gz XNULPBCTAQNHET-QGZVFWFLSA-N 2 2 343.471 4.016 20 0 EIADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000393903140 1045497391 /nfs/dbraw/zinc/49/73/91/1045497391.db2.gz IXHZPZDLNJZCGC-KRWDZBQOSA-N 2 2 332.875 4.325 20 0 EIADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000393903140 1045497392 /nfs/dbraw/zinc/49/73/92/1045497392.db2.gz IXHZPZDLNJZCGC-KRWDZBQOSA-N 2 2 332.875 4.325 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248175027 1045862892 /nfs/dbraw/zinc/86/28/92/1045862892.db2.gz VLNARIQYRAUNLW-OXQOHEQNSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248175027 1045862895 /nfs/dbraw/zinc/86/28/95/1045862895.db2.gz VLNARIQYRAUNLW-OXQOHEQNSA-N 2 2 349.478 4.136 20 0 EIADLP C[N@H+](Cc1cncc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329069 1045923905 /nfs/dbraw/zinc/92/39/05/1045923905.db2.gz KUHJXMBUPDYDDQ-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[N@@H+](Cc1cncc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329069 1045923924 /nfs/dbraw/zinc/92/39/24/1045923924.db2.gz KUHJXMBUPDYDDQ-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473188 1045989216 /nfs/dbraw/zinc/98/92/16/1045989216.db2.gz LTOSNKWRJCOYJV-OAHLLOKOSA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473188 1045989208 /nfs/dbraw/zinc/98/92/08/1045989208.db2.gz LTOSNKWRJCOYJV-OAHLLOKOSA-N 2 2 344.446 4.216 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000125291432 1046296030 /nfs/dbraw/zinc/29/60/30/1046296030.db2.gz NMULSZXUDDSKFQ-UHFFFAOYSA-N 2 2 329.513 4.035 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000125291432 1046296063 /nfs/dbraw/zinc/29/60/63/1046296063.db2.gz NMULSZXUDDSKFQ-UHFFFAOYSA-N 2 2 329.513 4.035 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n2c1CCCC2 ZINC000282056814 1046309031 /nfs/dbraw/zinc/30/90/31/1046309031.db2.gz MKSIKKMGWSEECL-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n2c1CCCC2 ZINC000282056814 1046309048 /nfs/dbraw/zinc/30/90/48/1046309048.db2.gz MKSIKKMGWSEECL-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000459419665 1046618840 /nfs/dbraw/zinc/61/88/40/1046618840.db2.gz GXZLMRUQPDQIBS-PXNSSMCTSA-N 2 2 338.495 4.243 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000459419665 1046618847 /nfs/dbraw/zinc/61/88/47/1046618847.db2.gz GXZLMRUQPDQIBS-PXNSSMCTSA-N 2 2 338.495 4.243 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000459524168 1046752896 /nfs/dbraw/zinc/75/28/96/1046752896.db2.gz HPERJMZFECPQRS-DYXWJJEUSA-N 2 2 335.495 4.203 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000459524168 1046752911 /nfs/dbraw/zinc/75/29/11/1046752911.db2.gz HPERJMZFECPQRS-DYXWJJEUSA-N 2 2 335.495 4.203 20 0 EIADLP C[C@H]([NH3+])c1ccc(NC(=[NH2+])c2ccc(Br)cc2F)cc1 ZINC001170462387 1046763772 /nfs/dbraw/zinc/76/37/72/1046763772.db2.gz IJEKSFJXRXPQDE-VIFPVBQESA-N 2 2 336.208 4.045 20 0 EIADLP Fc1ccc([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000536955877 1046878434 /nfs/dbraw/zinc/87/84/34/1046878434.db2.gz SPJPTUOYCYUXHM-OAQYLSRUSA-N 2 2 335.426 4.311 20 0 EIADLP CC(C)[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000497839427 1047114638 /nfs/dbraw/zinc/11/46/38/1047114638.db2.gz IAVHUYQDSLODQW-HXUWFJFHSA-N 2 2 329.463 4.030 20 0 EIADLP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000497839427 1047114659 /nfs/dbraw/zinc/11/46/59/1047114659.db2.gz IAVHUYQDSLODQW-HXUWFJFHSA-N 2 2 329.463 4.030 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)s1 ZINC001204033632 1047445661 /nfs/dbraw/zinc/44/56/61/1047445661.db2.gz MQPXASTXMIZJPW-UHFFFAOYSA-N 2 2 326.509 4.079 20 0 EIADLP Cc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)s1 ZINC001204033632 1047445664 /nfs/dbraw/zinc/44/56/64/1047445664.db2.gz MQPXASTXMIZJPW-UHFFFAOYSA-N 2 2 326.509 4.079 20 0 EIADLP c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000129673085 1047464190 /nfs/dbraw/zinc/46/41/90/1047464190.db2.gz IKEUWDKRLOZQHB-FQEVSTJZSA-N 2 2 340.511 4.430 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120175 1047473445 /nfs/dbraw/zinc/47/34/45/1047473445.db2.gz LMGTZECDBPDIPU-GZRFBZBPSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000556120175 1047473452 /nfs/dbraw/zinc/47/34/52/1047473452.db2.gz LMGTZECDBPDIPU-GZRFBZBPSA-N 2 2 330.422 4.451 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000790052179 1047511252 /nfs/dbraw/zinc/51/12/52/1047511252.db2.gz DNALUFAJHIHFHW-IBGZPJMESA-N 2 2 349.522 4.359 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556195210 1047554211 /nfs/dbraw/zinc/55/42/11/1047554211.db2.gz RXOYXMPVJMUPIQ-XHDPDMNISA-N 2 2 340.442 4.073 20 0 EIADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556195210 1047554229 /nfs/dbraw/zinc/55/42/29/1047554229.db2.gz RXOYXMPVJMUPIQ-XHDPDMNISA-N 2 2 340.442 4.073 20 0 EIADLP C[N@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608677 1047758282 /nfs/dbraw/zinc/75/82/82/1047758282.db2.gz LGJMVKAZCANWIW-IFMALSPDSA-N 3 2 343.559 4.066 20 0 EIADLP C[N@@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608677 1047758288 /nfs/dbraw/zinc/75/82/88/1047758288.db2.gz LGJMVKAZCANWIW-IFMALSPDSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608677 1047758298 /nfs/dbraw/zinc/75/82/98/1047758298.db2.gz LGJMVKAZCANWIW-IFMALSPDSA-N 3 2 343.559 4.066 20 0 EIADLP C[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550608677 1047758306 /nfs/dbraw/zinc/75/83/06/1047758306.db2.gz LGJMVKAZCANWIW-IFMALSPDSA-N 3 2 343.559 4.066 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864819 1047860465 /nfs/dbraw/zinc/86/04/65/1047860465.db2.gz IIPNFFMYPQDJQD-HNNXBMFYSA-N 2 2 341.842 4.178 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864819 1047860470 /nfs/dbraw/zinc/86/04/70/1047860470.db2.gz IIPNFFMYPQDJQD-HNNXBMFYSA-N 2 2 341.842 4.178 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000131433241 1047926027 /nfs/dbraw/zinc/92/60/27/1047926027.db2.gz NYOMFALBNKPOKZ-INIZCTEOSA-N 2 2 340.496 4.316 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131433241 1047926046 /nfs/dbraw/zinc/92/60/46/1047926046.db2.gz NYOMFALBNKPOKZ-INIZCTEOSA-N 2 2 340.496 4.316 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171073488 1048026569 /nfs/dbraw/zinc/02/65/69/1048026569.db2.gz FXLACYIHQHFTCT-OAHLLOKOSA-N 2 2 346.261 4.288 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132284953 1048246891 /nfs/dbraw/zinc/24/68/91/1048246891.db2.gz GNSOPRKCBSFHDT-MRXNPFEDSA-N 2 2 339.508 4.449 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132293950 1048250519 /nfs/dbraw/zinc/25/05/19/1048250519.db2.gz OIXRHDVWDLGOFP-ZHRRBRCNSA-N 2 2 349.453 4.136 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cc(Cl)ccc3C2)c1 ZINC001171113982 1048256062 /nfs/dbraw/zinc/25/60/62/1048256062.db2.gz YAWUABLPFKHJTF-LJQANCHMSA-N 2 2 337.854 4.392 20 0 EIADLP Cc1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1C(F)(F)F ZINC001143929859 1048298032 /nfs/dbraw/zinc/29/80/32/1048298032.db2.gz CZDGPFOZIQKOJB-INIZCTEOSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1C(F)(F)F ZINC001143929859 1048298045 /nfs/dbraw/zinc/29/80/45/1048298045.db2.gz CZDGPFOZIQKOJB-INIZCTEOSA-N 2 2 336.357 4.062 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558959 1048401888 /nfs/dbraw/zinc/40/18/88/1048401888.db2.gz FKKAQAABEBYSLZ-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558959 1048401903 /nfs/dbraw/zinc/40/19/03/1048401903.db2.gz FKKAQAABEBYSLZ-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558959 1048401918 /nfs/dbraw/zinc/40/19/18/1048401918.db2.gz FKKAQAABEBYSLZ-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(Cl)nc3)C2)s1 ZINC000809558959 1048401926 /nfs/dbraw/zinc/40/19/26/1048401926.db2.gz FKKAQAABEBYSLZ-MRXNPFEDSA-N 2 2 349.931 4.059 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CCc3ccccc3)CC2)s1 ZINC000809542549 1048402270 /nfs/dbraw/zinc/40/22/70/1048402270.db2.gz ISNQAWIILWQPMV-UHFFFAOYSA-N 2 2 343.540 4.050 20 0 EIADLP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579645 1048408487 /nfs/dbraw/zinc/40/84/87/1048408487.db2.gz DRCLSRSRNGKSPM-JXFKEZNVSA-N 2 2 343.540 4.486 20 0 EIADLP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579645 1048408489 /nfs/dbraw/zinc/40/84/89/1048408489.db2.gz DRCLSRSRNGKSPM-JXFKEZNVSA-N 2 2 343.540 4.486 20 0 EIADLP CC[C@H](C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000809642467 1048449141 /nfs/dbraw/zinc/44/91/41/1048449141.db2.gz GCJCSVSYQPAZHA-MRXNPFEDSA-N 2 2 331.529 4.220 20 0 EIADLP CC[C@H](C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000809642467 1048449159 /nfs/dbraw/zinc/44/91/59/1048449159.db2.gz GCJCSVSYQPAZHA-MRXNPFEDSA-N 2 2 331.529 4.220 20 0 EIADLP Cc1cc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC001170585812 1048487774 /nfs/dbraw/zinc/48/77/74/1048487774.db2.gz OARFOJAHKRFBKL-OAHLLOKOSA-N 2 2 339.270 4.115 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000815631417 1048554023 /nfs/dbraw/zinc/55/40/23/1048554023.db2.gz CUGMWOISLFWIEJ-CUWPLCDZSA-N 2 2 332.532 4.037 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000815631419 1048554653 /nfs/dbraw/zinc/55/46/53/1048554653.db2.gz CUGMWOISLFWIEJ-LMNJBCLMSA-N 2 2 332.532 4.037 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000348185125 1049476344 /nfs/dbraw/zinc/47/63/44/1049476344.db2.gz PUPYKPUWDAHYEX-UHFFFAOYSA-N 2 2 338.455 4.013 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000348185125 1049476355 /nfs/dbraw/zinc/47/63/55/1049476355.db2.gz PUPYKPUWDAHYEX-UHFFFAOYSA-N 2 2 338.455 4.013 20 0 EIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001170679027 1049510068 /nfs/dbraw/zinc/51/00/68/1049510068.db2.gz AEECMOHNMLIXCG-QGZVFWFLSA-N 2 2 339.389 4.017 20 0 EIADLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812823942 1049588101 /nfs/dbraw/zinc/58/81/01/1049588101.db2.gz ORURJGICRXXPQD-UWJYYQICSA-N 2 2 329.532 4.280 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821403102 1049631304 /nfs/dbraw/zinc/63/13/04/1049631304.db2.gz YXUXMFBYWIAXEJ-AEFFLSMTSA-N 2 2 325.456 4.015 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171500528 1049737523 /nfs/dbraw/zinc/73/75/23/1049737523.db2.gz QXTFAFZHSANXCG-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171500528 1049737536 /nfs/dbraw/zinc/73/75/36/1049737536.db2.gz QXTFAFZHSANXCG-IBGZPJMESA-N 2 2 348.481 4.161 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245663470 1049816625 /nfs/dbraw/zinc/81/66/25/1049816625.db2.gz GOQVRIGBIBIAOW-KBXCAEBGSA-N 2 2 340.496 4.130 20 0 EIADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245663470 1049816627 /nfs/dbraw/zinc/81/66/27/1049816627.db2.gz GOQVRIGBIBIAOW-KBXCAEBGSA-N 2 2 340.496 4.130 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC001171971469 1049834835 /nfs/dbraw/zinc/83/48/35/1049834835.db2.gz IMDCZAJEKQJYST-VQTJNVASSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC001171971469 1049834837 /nfs/dbraw/zinc/83/48/37/1049834837.db2.gz IMDCZAJEKQJYST-VQTJNVASSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@H]2COc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171974112 1049835517 /nfs/dbraw/zinc/83/55/17/1049835517.db2.gz AJXZDAAYTDASRF-QUCCMNQESA-N 2 2 336.479 4.153 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@H]2COc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171974112 1049835520 /nfs/dbraw/zinc/83/55/20/1049835520.db2.gz AJXZDAAYTDASRF-QUCCMNQESA-N 2 2 336.479 4.153 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973110 1049835996 /nfs/dbraw/zinc/83/59/96/1049835996.db2.gz VYQCELAQSFMADV-APWZRJJASA-N 2 2 341.474 4.315 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973110 1049835997 /nfs/dbraw/zinc/83/59/97/1049835997.db2.gz VYQCELAQSFMADV-APWZRJJASA-N 2 2 341.474 4.315 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2noc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171975167 1049837758 /nfs/dbraw/zinc/83/77/58/1049837758.db2.gz LTJJBBYEWCANFM-GOSISDBHSA-N 2 2 349.478 4.361 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2noc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171975167 1049837760 /nfs/dbraw/zinc/83/77/60/1049837760.db2.gz LTJJBBYEWCANFM-GOSISDBHSA-N 2 2 349.478 4.361 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172081206 1049846145 /nfs/dbraw/zinc/84/61/45/1049846145.db2.gz BAACIJHNNVFFEI-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172081206 1049846146 /nfs/dbraw/zinc/84/61/46/1049846146.db2.gz BAACIJHNNVFFEI-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172081206 1049846150 /nfs/dbraw/zinc/84/61/50/1049846150.db2.gz BAACIJHNNVFFEI-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172081206 1049846154 /nfs/dbraw/zinc/84/61/54/1049846154.db2.gz BAACIJHNNVFFEI-JKHIJQBDSA-N 2 2 349.522 4.408 20 0 EIADLP C[N@H+](Cc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079497 1049846837 /nfs/dbraw/zinc/84/68/37/1049846837.db2.gz OQOIINRSIAPHLC-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[N@@H+](Cc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172079497 1049846838 /nfs/dbraw/zinc/84/68/38/1049846838.db2.gz OQOIINRSIAPHLC-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079497 1049846839 /nfs/dbraw/zinc/84/68/39/1049846839.db2.gz OQOIINRSIAPHLC-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP C[NH+](Cc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079497 1049846840 /nfs/dbraw/zinc/84/68/40/1049846840.db2.gz OQOIINRSIAPHLC-ZBYYUNFXSA-N 2 2 335.495 4.099 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4cccnc4C2)C3)cc1 ZINC001172081923 1049847786 /nfs/dbraw/zinc/84/77/86/1049847786.db2.gz IGKDWSOKAXALES-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4cccnc4C2)C3)cc1 ZINC001172081923 1049847791 /nfs/dbraw/zinc/84/77/91/1049847791.db2.gz IGKDWSOKAXALES-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCc4cccnc4C2)C3)cc1 ZINC001172081923 1049847794 /nfs/dbraw/zinc/84/77/94/1049847794.db2.gz IGKDWSOKAXALES-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCc4cccnc4C2)C3)cc1 ZINC001172081923 1049847796 /nfs/dbraw/zinc/84/77/96/1049847796.db2.gz IGKDWSOKAXALES-KOUNCHBCSA-N 2 2 347.506 4.025 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)[C@H](C)C2 ZINC000245873426 1049866154 /nfs/dbraw/zinc/86/61/54/1049866154.db2.gz AEZJZJCRDDDPSR-PMAPCBKXSA-N 2 2 349.522 4.439 20 0 EIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)CC2)c1 ZINC001172364762 1049896221 /nfs/dbraw/zinc/89/62/21/1049896221.db2.gz AQCKTGNSWJTPIN-SQGPQFPESA-N 2 2 330.516 4.074 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000824066216 1049897556 /nfs/dbraw/zinc/89/75/56/1049897556.db2.gz PWZKXVNPUQUFKN-FQEVSTJZSA-N 2 2 327.516 4.352 20 0 EIADLP CCC(CC)(C[NH2+][C@H]1CCCc2n[nH]cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000353522694 1050107717 /nfs/dbraw/zinc/10/77/17/1050107717.db2.gz VPZHXEDEIZIGHA-LPHOPBHVSA-N 2 2 340.515 4.286 20 0 EIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001177157214 1050157258 /nfs/dbraw/zinc/15/72/58/1050157258.db2.gz JPOBESPKTZXIAP-UHFFFAOYSA-N 2 2 334.813 4.321 20 0 EIADLP CC(C)(C)c1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC001177249530 1050173657 /nfs/dbraw/zinc/17/36/57/1050173657.db2.gz BMLFZNQWSMINQN-UHFFFAOYSA-N 2 2 346.584 4.435 20 0 EIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172862993 1050200175 /nfs/dbraw/zinc/20/01/75/1050200175.db2.gz KOCLCWRUMPNWDB-HNNXBMFYSA-N 2 2 346.877 4.132 20 0 EIADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC001177429227 1050217759 /nfs/dbraw/zinc/21/77/59/1050217759.db2.gz SVQZKZCYAVNQJQ-STTHAQSSSA-N 2 2 338.442 4.155 20 0 EIADLP Fc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C(F)F ZINC001177471505 1050218544 /nfs/dbraw/zinc/21/85/44/1050218544.db2.gz UDCIEGPJVMINFQ-UHFFFAOYSA-N 2 2 349.331 4.378 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172884652 1050224687 /nfs/dbraw/zinc/22/46/87/1050224687.db2.gz FJCFDUWUTRGJRT-CQSZACIVSA-N 2 2 326.937 4.237 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172884652 1050224696 /nfs/dbraw/zinc/22/46/96/1050224696.db2.gz FJCFDUWUTRGJRT-CQSZACIVSA-N 2 2 326.937 4.237 20 0 EIADLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC001177491803 1050227711 /nfs/dbraw/zinc/22/77/11/1050227711.db2.gz HEFMAKUEUCAPKT-UHFFFAOYSA-N 2 2 343.430 4.324 20 0 EIADLP C[NH+]1CCC(c2ccc(Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001212690167 1050229175 /nfs/dbraw/zinc/22/91/75/1050229175.db2.gz VHHKRDVSRYTYKA-UHFFFAOYSA-N 2 2 332.451 4.425 20 0 EIADLP Cc1ccc([C@H](C[NH2+]Cc2cccc3ncccc23)[NH+]2CCCC2)cc1 ZINC001177566139 1050255373 /nfs/dbraw/zinc/25/53/73/1050255373.db2.gz OKXHPNUEQSRLNZ-QHCPKHFHSA-N 2 2 345.490 4.470 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001173262183 1050387337 /nfs/dbraw/zinc/38/73/37/1050387337.db2.gz SYUYEGHDEXTPBZ-SFHVURJKSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001173262183 1050387340 /nfs/dbraw/zinc/38/73/40/1050387340.db2.gz SYUYEGHDEXTPBZ-SFHVURJKSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001173262183 1050387345 /nfs/dbraw/zinc/38/73/45/1050387345.db2.gz SYUYEGHDEXTPBZ-SFHVURJKSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001173262183 1050387349 /nfs/dbraw/zinc/38/73/49/1050387349.db2.gz SYUYEGHDEXTPBZ-SFHVURJKSA-N 2 2 334.552 4.144 20 0 EIADLP Cc1ccc2c(Nc3cccc(N4CC[NH+](C)CC4)c3)cccc2[nH+]1 ZINC001212715963 1050394961 /nfs/dbraw/zinc/39/49/61/1050394961.db2.gz QILDEWKBPSCUED-UHFFFAOYSA-N 2 2 332.451 4.039 20 0 EIADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)cc1 ZINC001178398753 1050450761 /nfs/dbraw/zinc/45/07/61/1050450761.db2.gz WBFYMLRGHCFFQU-UHFFFAOYSA-N 2 2 326.484 4.430 20 0 EIADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000075809914 1050674347 /nfs/dbraw/zinc/67/43/47/1050674347.db2.gz IYRUQKMLMHCKLY-UHFFFAOYSA-N 3 2 348.494 4.004 20 0 EIADLP Cc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785133 1050779230 /nfs/dbraw/zinc/77/92/30/1050779230.db2.gz WLAKDQRAUJMXPW-AZUAARDMSA-N 2 2 335.495 4.238 20 0 EIADLP Cc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785133 1050779244 /nfs/dbraw/zinc/77/92/44/1050779244.db2.gz WLAKDQRAUJMXPW-AZUAARDMSA-N 2 2 335.495 4.238 20 0 EIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001179830795 1050789120 /nfs/dbraw/zinc/78/91/20/1050789120.db2.gz WJBLCABAFLJCIA-MRXNPFEDSA-N 2 2 329.463 4.098 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926364 1050820164 /nfs/dbraw/zinc/82/01/64/1050820164.db2.gz XPIBKRJOPXMBMJ-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926364 1050820170 /nfs/dbraw/zinc/82/01/70/1050820170.db2.gz XPIBKRJOPXMBMJ-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926364 1050820173 /nfs/dbraw/zinc/82/01/73/1050820173.db2.gz XPIBKRJOPXMBMJ-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179926364 1050820176 /nfs/dbraw/zinc/82/01/76/1050820176.db2.gz XPIBKRJOPXMBMJ-KXBFYZLASA-N 2 2 348.918 4.187 20 0 EIADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001180030517 1050859760 /nfs/dbraw/zinc/85/97/60/1050859760.db2.gz NYHFYBSZSJISOE-QZTJIDSGSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001180030517 1050859767 /nfs/dbraw/zinc/85/97/67/1050859767.db2.gz NYHFYBSZSJISOE-QZTJIDSGSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001180030517 1050859770 /nfs/dbraw/zinc/85/97/70/1050859770.db2.gz NYHFYBSZSJISOE-QZTJIDSGSA-N 2 2 332.507 4.475 20 0 EIADLP CCc1cccc(F)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001180030517 1050859772 /nfs/dbraw/zinc/85/97/72/1050859772.db2.gz NYHFYBSZSJISOE-QZTJIDSGSA-N 2 2 332.507 4.475 20 0 EIADLP CC(C)n1c[nH+]c2cc(Nc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC001174381790 1050947088 /nfs/dbraw/zinc/94/70/88/1050947088.db2.gz TVSIOLOXNHOMNZ-UHFFFAOYSA-N 2 2 338.455 4.301 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001180289033 1050956020 /nfs/dbraw/zinc/95/60/20/1050956020.db2.gz QCYKNXSYYPOAEJ-WMZOPIPTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001180289033 1050956035 /nfs/dbraw/zinc/95/60/35/1050956035.db2.gz QCYKNXSYYPOAEJ-WMZOPIPTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289033 1050956051 /nfs/dbraw/zinc/95/60/51/1050956051.db2.gz QCYKNXSYYPOAEJ-WMZOPIPTSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289033 1050956064 /nfs/dbraw/zinc/95/60/64/1050956064.db2.gz QCYKNXSYYPOAEJ-WMZOPIPTSA-N 2 2 347.453 4.368 20 0 EIADLP c1cc(N2CCCCC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c[nH+]1 ZINC001174521767 1051053069 /nfs/dbraw/zinc/05/30/69/1051053069.db2.gz DPUVSJBIJQZTQN-UHFFFAOYSA-N 2 2 337.471 4.201 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775369044 1051133736 /nfs/dbraw/zinc/13/37/36/1051133736.db2.gz IFJGQPUFEVIZIA-LRDDRELGSA-N 2 2 337.439 4.254 20 0 EIADLP CSCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC001181383834 1051215897 /nfs/dbraw/zinc/21/58/97/1051215897.db2.gz ZPQLJJOKNACTSQ-UHFFFAOYSA-N 2 2 342.508 4.296 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccs1 ZINC000153917137 1051246507 /nfs/dbraw/zinc/24/65/07/1051246507.db2.gz KVYWEWSIDCLBLB-DLBZAZTESA-N 2 2 344.524 4.299 20 0 EIADLP CC1(C[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC001181554442 1051250500 /nfs/dbraw/zinc/25/05/00/1051250500.db2.gz DIUFUMDIKQEMES-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP CC1(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC001181554442 1051250514 /nfs/dbraw/zinc/25/05/14/1051250514.db2.gz DIUFUMDIKQEMES-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001191559456 1051488890 /nfs/dbraw/zinc/48/88/90/1051488890.db2.gz MVUVTSWRTLOGCU-KRWDZBQOSA-N 2 2 339.321 4.318 20 0 EIADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001191559456 1051488896 /nfs/dbraw/zinc/48/88/96/1051488896.db2.gz MVUVTSWRTLOGCU-KRWDZBQOSA-N 2 2 339.321 4.318 20 0 EIADLP [NH3+]CCC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2Cl)CC1 ZINC001206507006 1051529696 /nfs/dbraw/zinc/52/96/96/1051529696.db2.gz WDTZOTNSOCANIK-UHFFFAOYSA-N 2 2 338.776 4.059 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2C)[nH+]1 ZINC001192043304 1051619790 /nfs/dbraw/zinc/61/97/90/1051619790.db2.gz RGERIUOEJDUGKX-SFHVURJKSA-N 2 2 329.875 4.428 20 0 EIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2C)[nH+]1 ZINC001192043304 1051619795 /nfs/dbraw/zinc/61/97/95/1051619795.db2.gz RGERIUOEJDUGKX-SFHVURJKSA-N 2 2 329.875 4.428 20 0 EIADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001192043292 1051620332 /nfs/dbraw/zinc/62/03/32/1051620332.db2.gz RDBXRTXFJIBXDH-KRWDZBQOSA-N 2 2 345.874 4.129 20 0 EIADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001192043292 1051620337 /nfs/dbraw/zinc/62/03/37/1051620337.db2.gz RDBXRTXFJIBXDH-KRWDZBQOSA-N 2 2 345.874 4.129 20 0 EIADLP Clc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC001175504468 1051635495 /nfs/dbraw/zinc/63/54/95/1051635495.db2.gz CJKJEPYHZYYUMG-UHFFFAOYSA-N 2 2 338.842 4.189 20 0 EIADLP Clc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC001175504468 1051635504 /nfs/dbraw/zinc/63/55/04/1051635504.db2.gz CJKJEPYHZYYUMG-UHFFFAOYSA-N 2 2 338.842 4.189 20 0 EIADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001175670125 1051722878 /nfs/dbraw/zinc/72/28/78/1051722878.db2.gz ZKDZDFSCOWWZIV-SFHVURJKSA-N 2 2 341.842 4.076 20 0 EIADLP Fc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1Cl ZINC001175670095 1051723222 /nfs/dbraw/zinc/72/32/22/1051723222.db2.gz XRDHTQTVTYJSTF-GOSISDBHSA-N 2 2 329.806 4.207 20 0 EIADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]ccc4ccccc43)cc2)CC1 ZINC001175779816 1051782656 /nfs/dbraw/zinc/78/26/56/1051782656.db2.gz YBKZUCVHPGKXQS-UHFFFAOYSA-N 2 2 332.451 4.120 20 0 EIADLP COc1cc[nH+]cc1Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001176123972 1051923621 /nfs/dbraw/zinc/92/36/21/1051923621.db2.gz GLPUGTFBJBNJBH-IBGZPJMESA-N 2 2 337.467 4.177 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106076 1051949786 /nfs/dbraw/zinc/94/97/86/1051949786.db2.gz KCPSAWVDUUYKHO-TWHAJKEOSA-N 2 2 334.507 4.433 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106076 1051949800 /nfs/dbraw/zinc/94/98/00/1051949800.db2.gz KCPSAWVDUUYKHO-TWHAJKEOSA-N 2 2 334.507 4.433 20 0 EIADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000163324571 1051984548 /nfs/dbraw/zinc/98/45/48/1051984548.db2.gz CKKBVTHLEMNGMQ-OAHLLOKOSA-N 2 2 334.479 4.282 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)ccc1OC ZINC001176312705 1052017938 /nfs/dbraw/zinc/01/79/38/1052017938.db2.gz WRLFXVMJVAAZRM-LJQANCHMSA-N 2 2 339.414 4.261 20 0 EIADLP Cc1cc[nH+]c2cc(Nc3ccc(CC[NH+]4CCOCC4)cc3)ccc12 ZINC001176385437 1052027650 /nfs/dbraw/zinc/02/76/50/1052027650.db2.gz BCUOMLGMGBYYCW-UHFFFAOYSA-N 2 2 347.462 4.162 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCC2 ZINC000166121577 1052083782 /nfs/dbraw/zinc/08/37/82/1052083782.db2.gz JTEGFIBDQJVBDS-JOCHJYFZSA-N 2 2 331.463 4.407 20 0 EIADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000774823556 1052170660 /nfs/dbraw/zinc/17/06/60/1052170660.db2.gz IYISXFPGNNNZIG-AUSIDOKSSA-N 2 2 349.522 4.433 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524423 1052671572 /nfs/dbraw/zinc/67/15/72/1052671572.db2.gz SMNNQWURSWOCOW-DGCLKSJQSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524423 1052671574 /nfs/dbraw/zinc/67/15/74/1052671574.db2.gz SMNNQWURSWOCOW-DGCLKSJQSA-N 2 2 343.284 4.112 20 0 EIADLP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000623854886 1052826488 /nfs/dbraw/zinc/82/64/88/1052826488.db2.gz LQQJRTXEGONCCI-SFHVURJKSA-N 2 2 341.524 4.296 20 0 EIADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4scnc43)C2)c1 ZINC000623880205 1052829101 /nfs/dbraw/zinc/82/91/01/1052829101.db2.gz BHXUTHCZKPWAQS-GOEBONIOSA-N 2 2 347.553 4.084 20 0 EIADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCc4scnc43)C2)c1 ZINC000623880205 1052829103 /nfs/dbraw/zinc/82/91/03/1052829103.db2.gz BHXUTHCZKPWAQS-GOEBONIOSA-N 2 2 347.553 4.084 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623880007 1052829341 /nfs/dbraw/zinc/82/93/41/1052829341.db2.gz WHWKAVNHMVZZLS-SJLPKXTDSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623880007 1052829344 /nfs/dbraw/zinc/82/93/44/1052829344.db2.gz WHWKAVNHMVZZLS-SJLPKXTDSA-N 2 2 329.513 4.014 20 0 EIADLP CC(C)CCO[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000624146007 1052871448 /nfs/dbraw/zinc/87/14/48/1052871448.db2.gz OOJRXURNWWIXPH-KESTWPANSA-N 2 2 345.531 4.014 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000325119165 1052952672 /nfs/dbraw/zinc/95/26/72/1052952672.db2.gz RQUBOFFNCBABPL-QFBILLFUSA-N 2 2 329.488 4.437 20 0 EIADLP CC1CCC(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000764140100 1053034469 /nfs/dbraw/zinc/03/44/69/1053034469.db2.gz KHDBRIBFMJVTMM-UHFFFAOYSA-N 2 2 329.532 4.137 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000764899390 1053364188 /nfs/dbraw/zinc/36/41/88/1053364188.db2.gz QHUCSMJNRMVBTK-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450301 1053551575 /nfs/dbraw/zinc/55/15/75/1053551575.db2.gz QBVKRBVEQHQJQO-WMZOPIPTSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000765450301 1053551592 /nfs/dbraw/zinc/55/15/92/1053551592.db2.gz QBVKRBVEQHQJQO-WMZOPIPTSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)CCCO2 ZINC000853094682 1053644512 /nfs/dbraw/zinc/64/45/12/1053644512.db2.gz KFQBTZIXTZJUTG-CQSZACIVSA-N 2 2 339.464 4.110 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCc2cccnc2)c(C)c1 ZINC000866308252 1053685290 /nfs/dbraw/zinc/68/52/90/1053685290.db2.gz AEFZUINJQAFDNI-KNQAVFIVSA-N 2 2 348.494 4.247 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000121014403 1053693320 /nfs/dbraw/zinc/69/33/20/1053693320.db2.gz SCPZOCKDADWMIR-XXBNENTESA-N 2 2 349.522 4.115 20 0 EIADLP CSc1ccccc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000866343572 1053697491 /nfs/dbraw/zinc/69/74/91/1053697491.db2.gz OEJLXUWNOYTVHV-UWJYYQICSA-N 2 2 349.503 4.299 20 0 EIADLP CSc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000866360629 1053703758 /nfs/dbraw/zinc/70/37/58/1053703758.db2.gz FRSUSGHOUSQPCY-KKSFZXQISA-N 2 2 349.503 4.368 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263900 1053864406 /nfs/dbraw/zinc/86/44/06/1053864406.db2.gz FTNDPPZNLAFKDL-SFHVURJKSA-N 2 2 341.842 4.076 20 0 EIADLP Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001203893698 1054061604 /nfs/dbraw/zinc/06/16/04/1054061604.db2.gz MEDLFRUENIIFFC-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c1 ZINC001203893698 1054061617 /nfs/dbraw/zinc/06/16/17/1054061617.db2.gz MEDLFRUENIIFFC-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780730 1054110873 /nfs/dbraw/zinc/11/08/73/1054110873.db2.gz LDRWCOFVVYXTEE-RYUDHWBXSA-N 2 2 349.828 4.279 20 0 EIADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780730 1054110882 /nfs/dbraw/zinc/11/08/82/1054110882.db2.gz LDRWCOFVVYXTEE-RYUDHWBXSA-N 2 2 349.828 4.279 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000921630045 1054192822 /nfs/dbraw/zinc/19/28/22/1054192822.db2.gz OYXZBVBGQXMKDY-OAHLLOKOSA-N 2 2 349.931 4.107 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000921630045 1054192823 /nfs/dbraw/zinc/19/28/23/1054192823.db2.gz OYXZBVBGQXMKDY-OAHLLOKOSA-N 2 2 349.931 4.107 20 0 EIADLP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001198959795 1054314161 /nfs/dbraw/zinc/31/41/61/1054314161.db2.gz PXBJVOJMZVJJAP-UHFFFAOYSA-N 2 2 337.511 4.034 20 0 EIADLP COc1ccc2cc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)ccc2c1 ZINC001199069173 1054339043 /nfs/dbraw/zinc/33/90/43/1054339043.db2.gz QWVCLQWJZYIOOZ-UHFFFAOYSA-N 2 2 349.459 4.385 20 0 EIADLP Clc1ccc2c(n1)[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000857904208 1054382570 /nfs/dbraw/zinc/38/25/70/1054382570.db2.gz XRPCYWBNDDVAPI-GOSISDBHSA-N 2 2 347.934 4.357 20 0 EIADLP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463983 1054495215 /nfs/dbraw/zinc/49/52/15/1054495215.db2.gz GFEHWALYMOKAMK-FGZHOGPDSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463983 1054495220 /nfs/dbraw/zinc/49/52/20/1054495220.db2.gz GFEHWALYMOKAMK-FGZHOGPDSA-N 2 2 342.527 4.151 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1 ZINC000671716043 1054622343 /nfs/dbraw/zinc/62/23/43/1054622343.db2.gz CYVNASDEODPJFI-LJQANCHMSA-N 2 2 331.419 4.240 20 0 EIADLP Cc1ccccc1SC[C@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000859161754 1054634020 /nfs/dbraw/zinc/63/40/20/1054634020.db2.gz ZSXYUZVVEQDUAI-MRXNPFEDSA-N 2 2 329.513 4.257 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000282249283 1054775773 /nfs/dbraw/zinc/77/57/73/1054775773.db2.gz JLXSLFHGNOUEJF-ODIFPOPNSA-N 2 2 337.458 4.021 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)ccc21 ZINC000062254787 1054781749 /nfs/dbraw/zinc/78/17/49/1054781749.db2.gz YWRXPJKLHJKJLT-KRWDZBQOSA-N 2 2 346.478 4.437 20 0 EIADLP Cc1cn2c(cccc2NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001201470206 1054811566 /nfs/dbraw/zinc/81/15/66/1054811566.db2.gz MZMBPNCHAAKXGK-UXHICEINSA-N 2 2 344.462 4.375 20 0 EIADLP CCCOc1cccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001201542297 1054835969 /nfs/dbraw/zinc/83/59/69/1054835969.db2.gz ONENGUYCHMQHMJ-UHFFFAOYSA-N 2 2 341.480 4.055 20 0 EIADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001201557927 1054846726 /nfs/dbraw/zinc/84/67/26/1054846726.db2.gz OYRAILCFBBHIGH-MRXNPFEDSA-N 2 2 347.528 4.169 20 0 EIADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001201557927 1054846733 /nfs/dbraw/zinc/84/67/33/1054846733.db2.gz OYRAILCFBBHIGH-MRXNPFEDSA-N 2 2 347.528 4.169 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201558506 1054846767 /nfs/dbraw/zinc/84/67/67/1054846767.db2.gz CEZUPLQMNCFDEM-MSOLQXFVSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201558506 1054846772 /nfs/dbraw/zinc/84/67/72/1054846772.db2.gz CEZUPLQMNCFDEM-MSOLQXFVSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201558506 1054846776 /nfs/dbraw/zinc/84/67/76/1054846776.db2.gz CEZUPLQMNCFDEM-MSOLQXFVSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201558506 1054846777 /nfs/dbraw/zinc/84/67/77/1054846777.db2.gz CEZUPLQMNCFDEM-MSOLQXFVSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201558940 1054847710 /nfs/dbraw/zinc/84/77/10/1054847710.db2.gz GPJYEJLHNCDURP-KRWDZBQOSA-N 2 2 334.552 4.100 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201558940 1054847715 /nfs/dbraw/zinc/84/77/15/1054847715.db2.gz GPJYEJLHNCDURP-KRWDZBQOSA-N 2 2 334.552 4.100 20 0 EIADLP Fc1ccc(C([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000166298903 1054902809 /nfs/dbraw/zinc/90/28/09/1054902809.db2.gz NSLAVNZPERGMAZ-VQTJNVASSA-N 2 2 342.433 4.271 20 0 EIADLP Fc1ccc(C([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000166298903 1054902827 /nfs/dbraw/zinc/90/28/27/1054902827.db2.gz NSLAVNZPERGMAZ-VQTJNVASSA-N 2 2 342.433 4.271 20 0 EIADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749305 1054950593 /nfs/dbraw/zinc/95/05/93/1054950593.db2.gz TZEZWKWXHHGEFM-ZIAGYGMSSA-N 2 2 348.406 4.131 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001201920848 1054953012 /nfs/dbraw/zinc/95/30/12/1054953012.db2.gz VVWDCTZHQIHVAK-CKHPTIKVSA-N 2 2 344.543 4.224 20 0 EIADLP COC1CCC(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001201920848 1054953027 /nfs/dbraw/zinc/95/30/27/1054953027.db2.gz VVWDCTZHQIHVAK-CKHPTIKVSA-N 2 2 344.543 4.224 20 0 EIADLP Clc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000876903170 1054981936 /nfs/dbraw/zinc/98/19/36/1054981936.db2.gz RZOOUGFPUVJANJ-UHFFFAOYSA-N 2 2 335.904 4.072 20 0 EIADLP Cc1cc(C)cc(CC[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000877114762 1055021398 /nfs/dbraw/zinc/02/13/98/1055021398.db2.gz AHLYFVBCVMGFJW-LJQANCHMSA-N 2 2 337.511 4.056 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC(F)(F)C1 ZINC000862254259 1055037118 /nfs/dbraw/zinc/03/71/18/1055037118.db2.gz AJYOXHVWKOXCDP-CQSZACIVSA-N 2 2 337.458 4.063 20 0 EIADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC(F)(F)C1 ZINC000862291241 1055046134 /nfs/dbraw/zinc/04/61/34/1055046134.db2.gz HSXDKHCOJKCWDL-CQSZACIVSA-N 2 2 337.458 4.063 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc21 ZINC000877628610 1055096224 /nfs/dbraw/zinc/09/62/24/1055096224.db2.gz IPGJYTPMMVCELM-LMDOGRNLSA-N 2 2 348.490 4.123 20 0 EIADLP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc21 ZINC000877628610 1055096236 /nfs/dbraw/zinc/09/62/36/1055096236.db2.gz IPGJYTPMMVCELM-LMDOGRNLSA-N 2 2 348.490 4.123 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1scnc1Cl ZINC000878423773 1055302522 /nfs/dbraw/zinc/30/25/22/1055302522.db2.gz UBURLECLFQZXKS-HALDLXJZSA-N 2 2 349.931 4.043 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1scnc1Cl ZINC000878423773 1055302541 /nfs/dbraw/zinc/30/25/41/1055302541.db2.gz UBURLECLFQZXKS-HALDLXJZSA-N 2 2 349.931 4.043 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577243 1056056755 /nfs/dbraw/zinc/05/67/55/1056056755.db2.gz COIDQNVHABTSLG-GOSISDBHSA-N 2 2 341.524 4.260 20 0 EIADLP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577243 1056056766 /nfs/dbraw/zinc/05/67/66/1056056766.db2.gz COIDQNVHABTSLG-GOSISDBHSA-N 2 2 341.524 4.260 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000515315596 1056676741 /nfs/dbraw/zinc/67/67/41/1056676741.db2.gz HWVDPVVKKRVIOB-OALUTQOASA-N 2 2 344.886 4.274 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000515315596 1056676757 /nfs/dbraw/zinc/67/67/57/1056676757.db2.gz HWVDPVVKKRVIOB-OALUTQOASA-N 2 2 344.886 4.274 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)Cn1cc[nH+]c1 ZINC000062254346 1056704475 /nfs/dbraw/zinc/70/44/75/1056704475.db2.gz UBKFMWNNCAODTM-AWEZNQCLSA-N 2 2 329.444 4.177 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1C ZINC000656252450 1056750227 /nfs/dbraw/zinc/75/02/27/1056750227.db2.gz AJVVDZHKSUCRAQ-WMZOPIPTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1C ZINC000656252450 1056750238 /nfs/dbraw/zinc/75/02/38/1056750238.db2.gz AJVVDZHKSUCRAQ-WMZOPIPTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1C ZINC000656252450 1056750251 /nfs/dbraw/zinc/75/02/51/1056750251.db2.gz AJVVDZHKSUCRAQ-WMZOPIPTSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)cc1C ZINC000656252450 1056750263 /nfs/dbraw/zinc/75/02/63/1056750263.db2.gz AJVVDZHKSUCRAQ-WMZOPIPTSA-N 2 2 343.540 4.341 20 0 EIADLP COc1cccc2cc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)oc21 ZINC000742393660 1058593002 /nfs/dbraw/zinc/59/30/02/1058593002.db2.gz ZLRYMCACZRCLQP-HNNXBMFYSA-N 2 2 347.418 4.478 20 0 EIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304198 1059361015 /nfs/dbraw/zinc/36/10/15/1059361015.db2.gz MESYCMKOUQRKNV-SFTDATJTSA-N 2 2 331.463 4.289 20 0 EIADLP C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323577 1059732765 /nfs/dbraw/zinc/73/27/65/1059732765.db2.gz DAYZJCSICDAMMV-ACJLOTCBSA-N 2 2 339.826 4.310 20 0 EIADLP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326437 1059801731 /nfs/dbraw/zinc/80/17/31/1059801731.db2.gz QURIUCINWSNJGB-LIRRHRJNSA-N 2 2 337.398 4.186 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622666 1060132799 /nfs/dbraw/zinc/13/27/99/1060132799.db2.gz HCYQVTIDGSUPDH-YJBOKZPZSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000379622666 1060132830 /nfs/dbraw/zinc/13/28/30/1060132830.db2.gz HCYQVTIDGSUPDH-YJBOKZPZSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000379622665 1060134169 /nfs/dbraw/zinc/13/41/69/1060134169.db2.gz HCYQVTIDGSUPDH-QAPCUYQASA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000379622665 1060134178 /nfs/dbraw/zinc/13/41/78/1060134178.db2.gz HCYQVTIDGSUPDH-QAPCUYQASA-N 2 2 330.422 4.108 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000766551971 1060536586 /nfs/dbraw/zinc/53/65/86/1060536586.db2.gz XKBKIGQEUNBZDS-AZUAARDMSA-N 2 2 331.548 4.488 20 0 EIADLP CCCCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000766551971 1060536603 /nfs/dbraw/zinc/53/66/03/1060536603.db2.gz XKBKIGQEUNBZDS-AZUAARDMSA-N 2 2 331.548 4.488 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145229 1060666508 /nfs/dbraw/zinc/66/65/08/1060666508.db2.gz MBIZWFXAIVRLQL-BYNSBNAKSA-N 2 2 339.310 4.408 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145229 1060666514 /nfs/dbraw/zinc/66/65/14/1060666514.db2.gz MBIZWFXAIVRLQL-BYNSBNAKSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145229 1060666518 /nfs/dbraw/zinc/66/65/18/1060666518.db2.gz MBIZWFXAIVRLQL-BYNSBNAKSA-N 2 2 339.310 4.408 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3cccc(Cl)c3Cl)C1)C2 ZINC001169145229 1060666529 /nfs/dbraw/zinc/66/65/29/1060666529.db2.gz MBIZWFXAIVRLQL-BYNSBNAKSA-N 2 2 339.310 4.408 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC001169245416 1060718695 /nfs/dbraw/zinc/71/86/95/1060718695.db2.gz CYURZAFRIIWRKQ-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC001169245416 1060718713 /nfs/dbraw/zinc/71/87/13/1060718713.db2.gz CYURZAFRIIWRKQ-KRWDZBQOSA-N 2 2 337.305 4.070 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1sccc1Br ZINC000037786482 213167521 /nfs/dbraw/zinc/16/75/21/213167521.db2.gz NBINJNKYADJZFS-NSHDSACASA-N 2 2 345.350 4.424 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000037236827 213136238 /nfs/dbraw/zinc/13/62/38/213136238.db2.gz DRAMVLDISKKJEB-NSHDSACASA-N 2 2 331.323 4.034 20 0 EIADLP c1ccc(C(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000020351324 212121550 /nfs/dbraw/zinc/12/15/50/212121550.db2.gz JQXJMNVNKBFOOE-QFIPXVFZSA-N 2 2 334.507 4.379 20 0 EIADLP c1ccc(C(C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000020351324 212121553 /nfs/dbraw/zinc/12/15/53/212121553.db2.gz JQXJMNVNKBFOOE-QFIPXVFZSA-N 2 2 334.507 4.379 20 0 EIADLP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532205863 1032073342 /nfs/dbraw/zinc/07/33/42/1032073342.db2.gz VLADTKNYNXKGCK-MRXNPFEDSA-N 2 2 339.414 4.131 20 0 EIADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1sccc1Br ZINC000515731048 1041038117 /nfs/dbraw/zinc/03/81/17/1041038117.db2.gz KTFFYKNTCMBVJX-LBPRGKRZSA-N 2 2 345.350 4.283 20 0 EIADLP Cc1cc2cc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)oc2cc1C ZINC000508619344 1032218453 /nfs/dbraw/zinc/21/84/53/1032218453.db2.gz GAZWBBBHTZAFBX-QGZVFWFLSA-N 2 2 337.467 4.238 20 0 EIADLP Cc1cc2cc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)oc2cc1C ZINC000508619344 1032218467 /nfs/dbraw/zinc/21/84/67/1032218467.db2.gz GAZWBBBHTZAFBX-QGZVFWFLSA-N 2 2 337.467 4.238 20 0 EIADLP CC[N@H+](C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@@H]1C=CCCC1 ZINC000532734532 1032272118 /nfs/dbraw/zinc/27/21/18/1032272118.db2.gz LOYUILTYVDQOFO-GOSISDBHSA-N 2 2 342.531 4.308 20 0 EIADLP CC[N@@H+](C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@@H]1C=CCCC1 ZINC000532734532 1032272123 /nfs/dbraw/zinc/27/21/23/1032272123.db2.gz LOYUILTYVDQOFO-GOSISDBHSA-N 2 2 342.531 4.308 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(Cl)o2)c(C)c1 ZINC000532724187 1032277085 /nfs/dbraw/zinc/27/70/85/1032277085.db2.gz VZZLJZYYBBMMEH-KRWDZBQOSA-N 2 2 329.831 4.277 20 0 EIADLP C[N@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529529044 1032418597 /nfs/dbraw/zinc/41/85/97/1032418597.db2.gz LCWKBGAOOZUXGW-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529529044 1032418604 /nfs/dbraw/zinc/41/86/04/1032418604.db2.gz LCWKBGAOOZUXGW-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503701 1032533245 /nfs/dbraw/zinc/53/32/45/1032533245.db2.gz XKQUPZFVWOQRHZ-KBXCAEBGSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503701 1032533254 /nfs/dbraw/zinc/53/32/54/1032533254.db2.gz XKQUPZFVWOQRHZ-KBXCAEBGSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124963521 1032759609 /nfs/dbraw/zinc/75/96/09/1032759609.db2.gz KESNQDRQBNXUQY-SFHVURJKSA-N 2 2 339.483 4.255 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000683108131 1018836245 /nfs/dbraw/zinc/83/62/45/1018836245.db2.gz AHMTYRMYELBNPY-BZSNNMDCSA-N 2 2 343.540 4.214 20 0 EIADLP CC(F)(F)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000339418298 1018858435 /nfs/dbraw/zinc/85/84/35/1018858435.db2.gz PHQNKHQIHXCOOI-UHFFFAOYSA-N 2 2 327.378 4.274 20 0 EIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC ZINC000432801356 1032833943 /nfs/dbraw/zinc/83/39/43/1032833943.db2.gz VVKWXCPVQBEECK-IBGZPJMESA-N 2 2 348.531 4.180 20 0 EIADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC ZINC000432801356 1032833952 /nfs/dbraw/zinc/83/39/52/1032833952.db2.gz VVKWXCPVQBEECK-IBGZPJMESA-N 2 2 348.531 4.180 20 0 EIADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC ZINC000432801357 1032834447 /nfs/dbraw/zinc/83/44/47/1032834447.db2.gz VVKWXCPVQBEECK-LJQANCHMSA-N 2 2 348.531 4.180 20 0 EIADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC ZINC000432801357 1032834452 /nfs/dbraw/zinc/83/44/52/1032834452.db2.gz VVKWXCPVQBEECK-LJQANCHMSA-N 2 2 348.531 4.180 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274858810 1019793708 /nfs/dbraw/zinc/79/37/08/1019793708.db2.gz CMIGBAFCPZZDMX-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274858810 1019793718 /nfs/dbraw/zinc/79/37/18/1019793718.db2.gz CMIGBAFCPZZDMX-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000510155285 1020044784 /nfs/dbraw/zinc/04/47/84/1020044784.db2.gz YQYNPSJNTHQLLM-AQTBWJFISA-N 2 2 347.462 4.212 20 0 EIADLP Cc1cccc2c1cc[nH+]c2N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160721 1020436548 /nfs/dbraw/zinc/43/65/48/1020436548.db2.gz ZUMIDBAERFWHFA-UHFFFAOYSA-N 2 2 343.474 4.185 20 0 EIADLP C[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000326685485 1020534168 /nfs/dbraw/zinc/53/41/68/1020534168.db2.gz OWJSNLMVRNGHFB-SFHVURJKSA-N 2 2 334.467 4.049 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@@H](C)SC2)c(C)c1 ZINC000655735426 1020922992 /nfs/dbraw/zinc/92/29/92/1020922992.db2.gz VHGYFOCLQACWHC-LMMKCTJWSA-N 2 2 329.513 4.115 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848453 1021012453 /nfs/dbraw/zinc/01/24/53/1021012453.db2.gz FHLXSJHXAFLKAJ-IYWMVGAKSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848453 1021012459 /nfs/dbraw/zinc/01/24/59/1021012459.db2.gz FHLXSJHXAFLKAJ-IYWMVGAKSA-N 2 2 327.516 4.023 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000121832413 1021066414 /nfs/dbraw/zinc/06/64/14/1021066414.db2.gz AWSXCDYWFLTWAQ-QFIPXVFZSA-N 2 2 337.511 4.138 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000340492024 1021137177 /nfs/dbraw/zinc/13/71/77/1021137177.db2.gz VPOWPQNQEOOUNZ-LBPRGKRZSA-N 2 2 345.368 4.449 20 0 EIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000584499233 1021360776 /nfs/dbraw/zinc/36/07/76/1021360776.db2.gz BGUMZOFSXPWPMN-PGRDOPGGSA-N 2 2 331.463 4.263 20 0 EIADLP c1cc(N2CCCCC2)[nH+]cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706121 1021564512 /nfs/dbraw/zinc/56/45/12/1021564512.db2.gz SNOJFDYZIVRKTN-LJQANCHMSA-N 2 2 326.488 4.016 20 0 EIADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000177805093 1021711012 /nfs/dbraw/zinc/71/10/12/1021711012.db2.gz AMQAHQBZSUTUIL-CYBMUJFWSA-N 2 2 326.469 4.050 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069923 1021787415 /nfs/dbraw/zinc/78/74/15/1021787415.db2.gz KSXDXTWZGNGPJZ-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414069923 1021787435 /nfs/dbraw/zinc/78/74/35/1021787435.db2.gz KSXDXTWZGNGPJZ-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000414070214 1021789807 /nfs/dbraw/zinc/78/98/07/1021789807.db2.gz SGVMRXVSKULILC-RBUKOAKNSA-N 2 2 341.499 4.003 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414121703 1021883592 /nfs/dbraw/zinc/88/35/92/1021883592.db2.gz AAQSUXYKRKGUFH-KBAYOESNSA-N 2 2 329.875 4.167 20 0 EIADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC1(C)C ZINC000414136053 1021910482 /nfs/dbraw/zinc/91/04/82/1021910482.db2.gz HPOXVHHLTMMVDZ-CKUJCDMFSA-N 2 2 332.454 4.206 20 0 EIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3(CCCCC3)Oc3ccccc31)C2 ZINC000377802693 1022016694 /nfs/dbraw/zinc/01/66/94/1022016694.db2.gz MQQSYBOHROFSSK-DNVCBOLYSA-N 2 2 337.467 4.083 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255520 1022248154 /nfs/dbraw/zinc/24/81/54/1022248154.db2.gz OAVFRCUQFGRUOW-QGZVFWFLSA-N 2 2 343.540 4.201 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255520 1022248171 /nfs/dbraw/zinc/24/81/71/1022248171.db2.gz OAVFRCUQFGRUOW-QGZVFWFLSA-N 2 2 343.540 4.201 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255520 1022248183 /nfs/dbraw/zinc/24/81/83/1022248183.db2.gz OAVFRCUQFGRUOW-QGZVFWFLSA-N 2 2 343.540 4.201 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)c(C)c3)s2)C1 ZINC000656255520 1022248199 /nfs/dbraw/zinc/24/81/99/1022248199.db2.gz OAVFRCUQFGRUOW-QGZVFWFLSA-N 2 2 343.540 4.201 20 0 EIADLP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)c2)nc1 ZINC001203155726 1022383720 /nfs/dbraw/zinc/38/37/20/1022383720.db2.gz FNZMVOPYFPDOPP-NRFANRHFSA-N 2 2 335.495 4.245 20 0 EIADLP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)c2)nc1 ZINC001203155726 1022383739 /nfs/dbraw/zinc/38/37/39/1022383739.db2.gz FNZMVOPYFPDOPP-NRFANRHFSA-N 2 2 335.495 4.245 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)CCC2 ZINC000378182858 1022477536 /nfs/dbraw/zinc/47/75/36/1022477536.db2.gz JUCKMVAGUSUSSS-MJGOQNOKSA-N 2 2 329.463 4.065 20 0 EIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1SC ZINC000378186276 1022489063 /nfs/dbraw/zinc/48/90/63/1022489063.db2.gz WGUOMEICAJUDHD-ZBFHGGJFSA-N 2 2 345.512 4.150 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCNc3ccccc32)[nH+]1 ZINC000186405328 1022602439 /nfs/dbraw/zinc/60/24/39/1022602439.db2.gz IGLPMSAKCGQPMR-OAQYLSRUSA-N 2 2 346.478 4.011 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)nc1-c1ccccc1 ZINC000378355746 1022743417 /nfs/dbraw/zinc/74/34/17/1022743417.db2.gz QEVIBLBUDIKQDW-MOPGFXCFSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)nc1-c1ccccc1 ZINC000378355746 1022743440 /nfs/dbraw/zinc/74/34/40/1022743440.db2.gz QEVIBLBUDIKQDW-MOPGFXCFSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355746 1022743466 /nfs/dbraw/zinc/74/34/66/1022743466.db2.gz QEVIBLBUDIKQDW-MOPGFXCFSA-N 2 2 338.499 4.006 20 0 EIADLP Cc1[nH]c([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)nc1-c1ccccc1 ZINC000378355746 1022743492 /nfs/dbraw/zinc/74/34/92/1022743492.db2.gz QEVIBLBUDIKQDW-MOPGFXCFSA-N 2 2 338.499 4.006 20 0 EIADLP CC(C)[NH+](CCC[NH2+]Cc1ccc(Sc2ccccn2)o1)C(C)C ZINC000511558059 1022858269 /nfs/dbraw/zinc/85/82/69/1022858269.db2.gz WCWUZXHDKMQGNG-UHFFFAOYSA-N 2 2 347.528 4.424 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)c3cccnc13)CCC2 ZINC000363886235 1022894768 /nfs/dbraw/zinc/89/47/68/1022894768.db2.gz CGZWIEOIDHVZPR-OAHLLOKOSA-N 2 2 340.858 4.060 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278621 1022954230 /nfs/dbraw/zinc/95/42/30/1022954230.db2.gz UTOKZMUCBIDWPT-UTKZUKDTSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000581278621 1022954243 /nfs/dbraw/zinc/95/42/43/1022954243.db2.gz UTOKZMUCBIDWPT-UTKZUKDTSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000543867558 1023160866 /nfs/dbraw/zinc/16/08/66/1023160866.db2.gz YSQIRHIHSHUKMJ-ZWOKBUDYSA-N 2 2 327.472 4.118 20 0 EIADLP Cc1cc2c(s1)N(c1ccc3c(c1)C[NH2+]C3)c1ccccc1NC2=[NH2+] ZINC001167463641 1023220326 /nfs/dbraw/zinc/22/03/26/1023220326.db2.gz XENYORQBKXNELA-UHFFFAOYSA-N 2 2 346.459 4.480 20 0 EIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660258047 1023393789 /nfs/dbraw/zinc/39/37/89/1023393789.db2.gz YVVYQIVNLLVQSE-GJZGRUSLSA-N 2 2 329.513 4.039 20 0 EIADLP C[C@H]([NH2+]Cc1nsc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660258047 1023393794 /nfs/dbraw/zinc/39/37/94/1023393794.db2.gz YVVYQIVNLLVQSE-GJZGRUSLSA-N 2 2 329.513 4.039 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034246 1023401709 /nfs/dbraw/zinc/40/17/09/1023401709.db2.gz CLTYFKNSNKWGIW-IEBWSBKVSA-N 2 2 341.524 4.083 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034246 1023401716 /nfs/dbraw/zinc/40/17/16/1023401716.db2.gz CLTYFKNSNKWGIW-IEBWSBKVSA-N 2 2 341.524 4.083 20 0 EIADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415072913 1023424973 /nfs/dbraw/zinc/42/49/73/1023424973.db2.gz AHQKMFLVWUMDEB-AUUYWEPGSA-N 2 2 332.850 4.158 20 0 EIADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415086173 1023434035 /nfs/dbraw/zinc/43/40/35/1023434035.db2.gz UIGLEYUEICQKCU-LPHOPBHVSA-N 2 2 332.850 4.300 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415092997 1023439541 /nfs/dbraw/zinc/43/95/41/1023439541.db2.gz UPWFAICOBWHVHB-OXQOHEQNSA-N 2 2 344.886 4.170 20 0 EIADLP C[C@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397914469 1023588529 /nfs/dbraw/zinc/58/85/29/1023588529.db2.gz GAIIAFQKVGOVAD-HSZRJFAPSA-N 2 2 345.490 4.379 20 0 EIADLP C[C@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[N@H+]1Cc1ccccc1 ZINC000397914469 1023588537 /nfs/dbraw/zinc/58/85/37/1023588537.db2.gz GAIIAFQKVGOVAD-HSZRJFAPSA-N 2 2 345.490 4.379 20 0 EIADLP Clc1sccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000312592878 1023591548 /nfs/dbraw/zinc/59/15/48/1023591548.db2.gz ALNNUGXNPWKOAR-INIZCTEOSA-N 2 2 334.916 4.403 20 0 EIADLP Clc1sccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312592878 1023591576 /nfs/dbraw/zinc/59/15/76/1023591576.db2.gz ALNNUGXNPWKOAR-INIZCTEOSA-N 2 2 334.916 4.403 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390571490 1023689767 /nfs/dbraw/zinc/68/97/67/1023689767.db2.gz CDBRIKKAWXPLMM-KZNAEPCWSA-N 2 2 340.433 4.362 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390571490 1023689770 /nfs/dbraw/zinc/68/97/70/1023689770.db2.gz CDBRIKKAWXPLMM-KZNAEPCWSA-N 2 2 340.433 4.362 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1Cl ZINC000377798103 1023763565 /nfs/dbraw/zinc/76/35/65/1023763565.db2.gz DHVBYXRIAIRQRS-YVEFUNNKSA-N 2 2 336.266 4.315 20 0 EIADLP CC[NH+](CC)Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000276579051 1023764012 /nfs/dbraw/zinc/76/40/12/1023764012.db2.gz VBSYOMDLRCMRJH-UHFFFAOYSA-N 2 2 338.499 4.004 20 0 EIADLP C[NH+](C)Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000341510090 1023813561 /nfs/dbraw/zinc/81/35/61/1023813561.db2.gz JDOPFXBIWGTJEN-UHFFFAOYSA-N 2 2 340.858 4.199 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2ccc(O)cc2)c(C)c1 ZINC000511715458 1023840926 /nfs/dbraw/zinc/84/09/26/1023840926.db2.gz ZEYFGVAQZMYGNX-PGRDOPGGSA-N 2 2 349.478 4.168 20 0 EIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2c1C ZINC000473137739 1024377114 /nfs/dbraw/zinc/37/71/14/1024377114.db2.gz IDQVSEAQCUCPIG-KRWDZBQOSA-N 2 2 334.467 4.114 20 0 EIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2c1C ZINC000473137739 1024377135 /nfs/dbraw/zinc/37/71/35/1024377135.db2.gz IDQVSEAQCUCPIG-KRWDZBQOSA-N 2 2 334.467 4.114 20 0 EIADLP Clc1ccccc1C1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000652215629 1024382864 /nfs/dbraw/zinc/38/28/64/1024382864.db2.gz YRSQBPOLSVTQQP-UHFFFAOYSA-N 2 2 341.886 4.373 20 0 EIADLP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511923654 1024800679 /nfs/dbraw/zinc/80/06/79/1024800679.db2.gz AKHPEWJKAASXQJ-FXAWDEMLSA-N 2 2 343.540 4.254 20 0 EIADLP CCc1nc(N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000709639191 1024813930 /nfs/dbraw/zinc/81/39/30/1024813930.db2.gz DWJHHEOCIOKBDW-IBGZPJMESA-N 2 2 338.499 4.204 20 0 EIADLP CCc1nc(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000709639191 1024813931 /nfs/dbraw/zinc/81/39/31/1024813931.db2.gz DWJHHEOCIOKBDW-IBGZPJMESA-N 2 2 338.499 4.204 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(SC(F)F)cc1)C2 ZINC000151044275 1025260477 /nfs/dbraw/zinc/26/04/77/1025260477.db2.gz QRQCDHQJVIFYDD-OCCSQVGLSA-N 2 2 337.439 4.172 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151335163 1025283627 /nfs/dbraw/zinc/28/36/27/1025283627.db2.gz WUSOVEUFWAKEPQ-NRFANRHFSA-N 2 2 347.462 4.243 20 0 EIADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151354618 1025285482 /nfs/dbraw/zinc/28/54/82/1025285482.db2.gz GOBCQBSQBIXQRB-KRWDZBQOSA-N 2 2 335.451 4.181 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)s1 ZINC000511988285 1025423459 /nfs/dbraw/zinc/42/34/59/1025423459.db2.gz HIOKNWOUFNWTCY-LJQANCHMSA-N 2 2 347.503 4.365 20 0 EIADLP C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000511988224 1025427110 /nfs/dbraw/zinc/42/71/10/1025427110.db2.gz GTURRNSJHWSAMS-XHBKTUGNSA-N 2 2 349.931 4.345 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028193 1025676212 /nfs/dbraw/zinc/67/62/12/1025676212.db2.gz GDNCEVHWDPXRSR-DSLXNQLJSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1F ZINC000511028193 1025676251 /nfs/dbraw/zinc/67/62/51/1025676251.db2.gz GDNCEVHWDPXRSR-DSLXNQLJSA-N 2 2 339.458 4.067 20 0 EIADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000511048364 1025850669 /nfs/dbraw/zinc/85/06/69/1025850669.db2.gz OQNHHGNEKNOBAP-TZIWHRDSSA-N 2 2 335.426 4.025 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344000064 1025866949 /nfs/dbraw/zinc/86/69/49/1025866949.db2.gz VWWITXPCNTXVLX-WTOYTKOKSA-N 2 2 347.462 4.443 20 0 EIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(CC)CC ZINC000344029918 1025886136 /nfs/dbraw/zinc/88/61/36/1025886136.db2.gz CYONWNXESOBQFE-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCC2 ZINC000344030761 1025886313 /nfs/dbraw/zinc/88/63/13/1025886313.db2.gz DXTUAGYXBVJGCH-OAQYLSRUSA-N 2 2 335.426 4.238 20 0 EIADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000164176180 1025889694 /nfs/dbraw/zinc/88/96/94/1025889694.db2.gz ITFSAHKAFRZVGH-DYESRHJHSA-N 2 2 334.467 4.358 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414131 1025889885 /nfs/dbraw/zinc/88/98/85/1025889885.db2.gz QICXMEDQBPOWHP-IRXDYDNUSA-N 2 2 344.499 4.147 20 0 EIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414131 1025889887 /nfs/dbraw/zinc/88/98/87/1025889887.db2.gz QICXMEDQBPOWHP-IRXDYDNUSA-N 2 2 344.499 4.147 20 0 EIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000187773104 1025893880 /nfs/dbraw/zinc/89/38/80/1025893880.db2.gz WSJSILCPOQYDLW-FPOVZHCZSA-N 2 2 335.495 4.051 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000512083647 1025903919 /nfs/dbraw/zinc/90/39/19/1025903919.db2.gz RQYBDOAKKQMKEY-SFHVURJKSA-N 2 2 349.931 4.489 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCCO2 ZINC000152107789 1026107212 /nfs/dbraw/zinc/10/72/12/1026107212.db2.gz VUQPNLRCPYOQNR-OAQYLSRUSA-N 2 2 347.462 4.243 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303741797 1026190966 /nfs/dbraw/zinc/19/09/66/1026190966.db2.gz IQCITULRUCYTME-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000303741797 1026190976 /nfs/dbraw/zinc/19/09/76/1026190976.db2.gz IQCITULRUCYTME-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741797 1026190987 /nfs/dbraw/zinc/19/09/87/1026190987.db2.gz IQCITULRUCYTME-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2)CC[NH+]1Cc1ccccc1 ZINC000303741797 1026190994 /nfs/dbraw/zinc/19/09/94/1026190994.db2.gz IQCITULRUCYTME-LAUBAEHRSA-N 2 2 326.459 4.311 20 0 EIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000152230014 1026232631 /nfs/dbraw/zinc/23/26/31/1026232631.db2.gz BDJYICVPTKGESL-SFHVURJKSA-N 2 2 327.378 4.391 20 0 EIADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000162847919 1026316036 /nfs/dbraw/zinc/31/60/36/1026316036.db2.gz TUVFAUVQRSLALI-GOSISDBHSA-N 2 2 325.456 4.086 20 0 EIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337333914 1026466739 /nfs/dbraw/zinc/46/67/39/1026466739.db2.gz KFLSTFPBFZNFPN-YMPZKCBVSA-N 2 2 349.522 4.362 20 0 EIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337333914 1026466741 /nfs/dbraw/zinc/46/67/41/1026466741.db2.gz KFLSTFPBFZNFPN-YMPZKCBVSA-N 2 2 349.522 4.362 20 0 EIADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000344726428 1026562044 /nfs/dbraw/zinc/56/20/44/1026562044.db2.gz IIIPSCCNVDVKGH-IBGZPJMESA-N 2 2 341.842 4.003 20 0 EIADLP C[C@@H](c1ccccc1Br)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342596743 1026712402 /nfs/dbraw/zinc/71/24/02/1026712402.db2.gz RGUJGMNCBXTCJY-LBPRGKRZSA-N 2 2 334.261 4.113 20 0 EIADLP COc1cccc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000507361901 1026765356 /nfs/dbraw/zinc/76/53/56/1026765356.db2.gz SDGFCBXKXKODER-UHFFFAOYSA-N 2 2 347.462 4.261 20 0 EIADLP C[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342479097 1026803023 /nfs/dbraw/zinc/80/30/23/1026803023.db2.gz LGDMEGHNJHCKFG-LJQANCHMSA-N 2 2 349.478 4.172 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000507540926 1026833351 /nfs/dbraw/zinc/83/33/51/1026833351.db2.gz WVHBETNMOWHXMR-VPWXQRGCSA-N 2 2 343.540 4.439 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000507540926 1026833354 /nfs/dbraw/zinc/83/33/54/1026833354.db2.gz WVHBETNMOWHXMR-VPWXQRGCSA-N 2 2 343.540 4.439 20 0 EIADLP CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2SC(C)C)CC1 ZINC000474474784 1027104205 /nfs/dbraw/zinc/10/42/05/1027104205.db2.gz XHLBMKSDZLIJHF-UHFFFAOYSA-N 2 2 326.937 4.414 20 0 EIADLP Clc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655717172 1027255854 /nfs/dbraw/zinc/25/58/54/1027255854.db2.gz WHITVXYGMZXRLE-WOJBJXKFSA-N 2 2 348.918 4.024 20 0 EIADLP CCc1cccc(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000474623412 1027325129 /nfs/dbraw/zinc/32/51/29/1027325129.db2.gz PONVPMFILJRARB-UHFFFAOYSA-N 2 2 341.405 4.311 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000302677928 1027358824 /nfs/dbraw/zinc/35/88/24/1027358824.db2.gz VHDFAKBWWXPIRS-KRWDZBQOSA-N 2 2 339.483 4.007 20 0 EIADLP C[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000161514434 1027588140 /nfs/dbraw/zinc/58/81/40/1027588140.db2.gz CBYPBJWJMPDRNV-INIZCTEOSA-N 2 2 345.487 4.010 20 0 EIADLP Cc1[nH+]c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)cc2n1C(C)C ZINC001167993277 1027681492 /nfs/dbraw/zinc/68/14/92/1027681492.db2.gz WHPMUTSZJKPQHF-UHFFFAOYSA-N 2 2 325.391 4.096 20 0 EIADLP CC(C)O[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000582941085 1027720588 /nfs/dbraw/zinc/72/05/88/1027720588.db2.gz HZDSMLXJAHKUEK-HXUWFJFHSA-N 2 2 339.483 4.124 20 0 EIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000474881333 1027729518 /nfs/dbraw/zinc/72/95/18/1027729518.db2.gz HVFCCQJVEBOKJT-YFVAEKQCSA-N 2 2 329.532 4.411 20 0 EIADLP Cc1[nH+]cc(C[NH2+][C@H](COc2c(C)cccc2C)c2ccccc2)n1C ZINC000520429674 1027731859 /nfs/dbraw/zinc/73/18/59/1027731859.db2.gz RYWKNFBEHLRSMW-OAQYLSRUSA-N 2 2 349.478 4.255 20 0 EIADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCc3ccccc32)cc1 ZINC001168043803 1027732314 /nfs/dbraw/zinc/73/23/14/1027732314.db2.gz NVLFNSXWYFAICD-JOCHJYFZSA-N 2 2 331.463 4.381 20 0 EIADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCc3ccccc32)cc1 ZINC001168043803 1027732338 /nfs/dbraw/zinc/73/23/38/1027732338.db2.gz NVLFNSXWYFAICD-JOCHJYFZSA-N 2 2 331.463 4.381 20 0 EIADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921571 1027802936 /nfs/dbraw/zinc/80/29/36/1027802936.db2.gz DAXZWKCQAKUHSH-UZLBHIALSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921571 1027802938 /nfs/dbraw/zinc/80/29/38/1027802938.db2.gz DAXZWKCQAKUHSH-UZLBHIALSA-N 2 2 332.557 4.018 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000153735116 1027898365 /nfs/dbraw/zinc/89/83/65/1027898365.db2.gz DVVOHVKRPKTQPC-CYBMUJFWSA-N 2 2 327.403 4.326 20 0 EIADLP Cc1ccc2cc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)ccc2n1 ZINC000189249282 1028106504 /nfs/dbraw/zinc/10/65/04/1028106504.db2.gz XDKODVZJAVWBPF-UHFFFAOYSA-N 2 2 342.446 4.078 20 0 EIADLP COCC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124456772 1028248207 /nfs/dbraw/zinc/24/82/07/1028248207.db2.gz IQEDSVRKDFYMBK-GOSISDBHSA-N 2 2 349.478 4.113 20 0 EIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Cl)c(F)c1 ZINC000346199066 1028324117 /nfs/dbraw/zinc/32/41/17/1028324117.db2.gz KQIOJUGQHPGKGI-UHFFFAOYSA-N 2 2 335.835 4.358 20 0 EIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Cl)c(F)c1 ZINC000346199066 1028324135 /nfs/dbraw/zinc/32/41/35/1028324135.db2.gz KQIOJUGQHPGKGI-UHFFFAOYSA-N 2 2 335.835 4.358 20 0 EIADLP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343154760 1028407384 /nfs/dbraw/zinc/40/73/84/1028407384.db2.gz SCTUJMZUFLRCRN-UHFFFAOYSA-N 2 2 336.483 4.069 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000281412941 1028575317 /nfs/dbraw/zinc/57/53/17/1028575317.db2.gz ZMFKLMVHBYVTIT-OALUTQOASA-N 2 2 338.499 4.293 20 0 EIADLP Fc1ccccc1C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000564515669 1028673834 /nfs/dbraw/zinc/67/38/34/1028673834.db2.gz LCLRBRUIFUCYHD-NRFANRHFSA-N 2 2 337.442 4.376 20 0 EIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156225933 1028676252 /nfs/dbraw/zinc/67/62/52/1028676252.db2.gz PXPCRAOERLRVIW-CQSZACIVSA-N 2 2 344.528 4.290 20 0 EIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000444003465 1028723402 /nfs/dbraw/zinc/72/34/02/1028723402.db2.gz NRPNHWJRPVAWQE-UHFFFAOYSA-N 2 2 349.466 4.296 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346870253 1028803297 /nfs/dbraw/zinc/80/32/97/1028803297.db2.gz LSLLFWLRJBCPSN-QZTJIDSGSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428430029 1029127072 /nfs/dbraw/zinc/12/70/72/1029127072.db2.gz GUEYEGXSAWATCT-VQIMIIECSA-N 2 2 341.499 4.107 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428430029 1029127078 /nfs/dbraw/zinc/12/70/78/1029127078.db2.gz GUEYEGXSAWATCT-VQIMIIECSA-N 2 2 341.499 4.107 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000151136369 1029144171 /nfs/dbraw/zinc/14/41/71/1029144171.db2.gz QVDJXEVDCKRJMK-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000151136369 1029144176 /nfs/dbraw/zinc/14/41/76/1029144176.db2.gz QVDJXEVDCKRJMK-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000343438752 1029252051 /nfs/dbraw/zinc/25/20/51/1029252051.db2.gz FXLQQRWCYMXFQY-VQTJNVASSA-N 2 2 346.478 4.392 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC000650763809 1029269277 /nfs/dbraw/zinc/26/92/77/1029269277.db2.gz KAWXEJYKXXBTDE-DLBZAZTESA-N 2 2 332.369 4.429 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056918 1029319172 /nfs/dbraw/zinc/31/91/72/1029319172.db2.gz JZMZQLTVVVTSIY-HATOLVCRSA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(C[NH+](C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056918 1029319188 /nfs/dbraw/zinc/31/91/88/1029319188.db2.gz JZMZQLTVVVTSIY-HATOLVCRSA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056918 1029319203 /nfs/dbraw/zinc/31/92/03/1029319203.db2.gz JZMZQLTVVVTSIY-HATOLVCRSA-N 2 2 337.511 4.263 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168056918 1029319222 /nfs/dbraw/zinc/31/92/22/1029319222.db2.gz JZMZQLTVVVTSIY-HATOLVCRSA-N 2 2 337.511 4.263 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCC2 ZINC000151320813 1029478586 /nfs/dbraw/zinc/47/85/86/1029478586.db2.gz AMNLVAYMIHVEPI-QGZVFWFLSA-N 2 2 331.463 4.271 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151362052 1029497352 /nfs/dbraw/zinc/49/73/52/1029497352.db2.gz HXVYTNHOIZTQPR-HNNXBMFYSA-N 2 2 325.481 4.406 20 0 EIADLP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151361047 1029498858 /nfs/dbraw/zinc/49/88/58/1029498858.db2.gz QZWUXJLZFJOLAO-KRWDZBQOSA-N 2 2 335.451 4.181 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1C ZINC000525207850 1029513969 /nfs/dbraw/zinc/51/39/69/1029513969.db2.gz RFDBKVYVIQJXKK-PBHICJAKSA-N 2 2 336.907 4.234 20 0 EIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000657821747 1029558691 /nfs/dbraw/zinc/55/86/91/1029558691.db2.gz RNHBNOVSCSDSSP-QZTJIDSGSA-N 2 2 335.451 4.374 20 0 EIADLP CC1(C)CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475353336 1029570278 /nfs/dbraw/zinc/57/02/78/1029570278.db2.gz DTCSAQJFQYKTTO-UHFFFAOYSA-N 2 2 332.454 4.350 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC ZINC000359946436 1029603347 /nfs/dbraw/zinc/60/33/47/1029603347.db2.gz ZSWCWPHQNBBUEO-IPMKNSEASA-N 2 2 346.515 4.152 20 0 EIADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC ZINC000359946436 1029603350 /nfs/dbraw/zinc/60/33/50/1029603350.db2.gz ZSWCWPHQNBBUEO-IPMKNSEASA-N 2 2 346.515 4.152 20 0 EIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446913029 1029637762 /nfs/dbraw/zinc/63/77/62/1029637762.db2.gz BWXGJKRTVMZUTJ-VGOFRKELSA-N 2 2 341.543 4.093 20 0 EIADLP CC[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H](C)C1 ZINC000446925009 1029642160 /nfs/dbraw/zinc/64/21/60/1029642160.db2.gz LCVUOLBWAQSNAR-JXFKEZNVSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H](C)C1 ZINC000446925009 1029642167 /nfs/dbraw/zinc/64/21/67/1029642167.db2.gz LCVUOLBWAQSNAR-JXFKEZNVSA-N 2 2 338.499 4.029 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000657832565 1029655321 /nfs/dbraw/zinc/65/53/21/1029655321.db2.gz GDALZSXFMCGDKY-GHMZBOCLSA-N 2 2 342.668 4.038 20 0 EIADLP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000301066326 1029662033 /nfs/dbraw/zinc/66/20/33/1029662033.db2.gz QQDSLLBGGDNPRH-HNNXBMFYSA-N 2 2 330.501 4.219 20 0 EIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657834035 1029669492 /nfs/dbraw/zinc/66/94/92/1029669492.db2.gz IIBYNDLIIWWEEQ-QGZVFWFLSA-N 2 2 331.891 4.026 20 0 EIADLP Fc1ccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)cc[nH+]c2c1 ZINC000301275120 1029697958 /nfs/dbraw/zinc/69/79/58/1029697958.db2.gz OPIBLFIHUYNOHQ-UHFFFAOYSA-N 2 2 332.382 4.231 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095568 1029783472 /nfs/dbraw/zinc/78/34/72/1029783472.db2.gz GKMKHQXZCSNSMD-KDOFPFPSSA-N 2 2 331.891 4.050 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095568 1029783482 /nfs/dbraw/zinc/78/34/82/1029783482.db2.gz GKMKHQXZCSNSMD-KDOFPFPSSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095568 1029783495 /nfs/dbraw/zinc/78/34/95/1029783495.db2.gz GKMKHQXZCSNSMD-KDOFPFPSSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095568 1029783506 /nfs/dbraw/zinc/78/35/06/1029783506.db2.gz GKMKHQXZCSNSMD-KDOFPFPSSA-N 2 2 331.891 4.050 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000090667248 1029868892 /nfs/dbraw/zinc/86/88/92/1029868892.db2.gz CYSADXCXCNXIQX-DNVCBOLYSA-N 2 2 341.524 4.336 20 0 EIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390550048 1029957658 /nfs/dbraw/zinc/95/76/58/1029957658.db2.gz BUNJQLSWNZDWGS-IBGZPJMESA-N 2 2 330.422 4.378 20 0 EIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390550048 1029957719 /nfs/dbraw/zinc/95/77/19/1029957719.db2.gz BUNJQLSWNZDWGS-IBGZPJMESA-N 2 2 330.422 4.378 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000183689249 1030016884 /nfs/dbraw/zinc/01/68/84/1030016884.db2.gz OPTNVJBNZXZRBW-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220262 1030217245 /nfs/dbraw/zinc/21/72/45/1030217245.db2.gz NGUCOKKBSXCMKQ-LRDDRELGSA-N 2 2 345.487 4.193 20 0 EIADLP Clc1ccnc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925207202 1030625703 /nfs/dbraw/zinc/62/57/03/1030625703.db2.gz OZICMBUIRKXPMV-GOSISDBHSA-N 2 2 333.907 4.109 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657931508 1030626418 /nfs/dbraw/zinc/62/64/18/1030626418.db2.gz MVZDUYVULBTQQX-GEALJGNFSA-N 2 2 327.516 4.021 20 0 EIADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000192948410 1030725282 /nfs/dbraw/zinc/72/52/82/1030725282.db2.gz PNUANWKCLAYRNI-HOTGVXAUSA-N 2 2 348.450 4.243 20 0 EIADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000122200683 1030732696 /nfs/dbraw/zinc/73/26/96/1030732696.db2.gz JZEZMQCZWMAXKF-HNNXBMFYSA-N 2 2 340.496 4.393 20 0 EIADLP C[C@H]1CC[C@@](C)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658125888 1030841476 /nfs/dbraw/zinc/84/14/76/1030841476.db2.gz DONNHKDIHGFDCW-UWJYYQICSA-N 2 2 329.532 4.098 20 0 EIADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945396 1030961360 /nfs/dbraw/zinc/96/13/60/1030961360.db2.gz GIOUFDJWISPOSZ-MOMVYJMYSA-N 2 2 334.548 4.253 20 0 EIADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527945396 1030961378 /nfs/dbraw/zinc/96/13/78/1030961378.db2.gz GIOUFDJWISPOSZ-MOMVYJMYSA-N 2 2 334.548 4.253 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000658338253 1031006263 /nfs/dbraw/zinc/00/62/63/1031006263.db2.gz KDHRKCGVUXAWBT-LEOXJPRUSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000658338253 1031006278 /nfs/dbraw/zinc/00/62/78/1031006278.db2.gz KDHRKCGVUXAWBT-LEOXJPRUSA-N 2 2 349.522 4.268 20 0 EIADLP c1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527965300 1031006894 /nfs/dbraw/zinc/00/68/94/1031006894.db2.gz JDYJNZXSUGATEH-QFIPXVFZSA-N 2 2 335.495 4.177 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015856 1031062379 /nfs/dbraw/zinc/06/23/79/1031062379.db2.gz ZIGHIUJXVXBFPY-VGSWGCGISA-N 2 2 335.495 4.416 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000528015856 1031062396 /nfs/dbraw/zinc/06/23/96/1031062396.db2.gz ZIGHIUJXVXBFPY-VGSWGCGISA-N 2 2 335.495 4.416 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000340363621 1031209281 /nfs/dbraw/zinc/20/92/81/1031209281.db2.gz IVZANWZBRQSDOL-FFZOFVMBSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000340363621 1031209301 /nfs/dbraw/zinc/20/93/01/1031209301.db2.gz IVZANWZBRQSDOL-FFZOFVMBSA-N 2 2 340.442 4.074 20 0 EIADLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000628230346 1031247358 /nfs/dbraw/zinc/24/73/58/1031247358.db2.gz DBHXWANWJURFBE-RBUKOAKNSA-N 2 2 337.511 4.309 20 0 EIADLP Clc1ccc([C@H]2CC[C@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000449077625 1031434612 /nfs/dbraw/zinc/43/46/12/1031434612.db2.gz SDDFCRNMYGZQJG-WMZOPIPTSA-N 2 2 343.902 4.341 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000449155859 1031488472 /nfs/dbraw/zinc/48/84/72/1031488472.db2.gz MQPWMGJJNHCACF-IEBWSBKVSA-N 2 2 330.516 4.055 20 0 EIADLP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000449167106 1031507725 /nfs/dbraw/zinc/50/77/25/1031507725.db2.gz HZBMEYDNXDBPDY-GOSISDBHSA-N 2 2 335.451 4.021 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000449193116 1031513978 /nfs/dbraw/zinc/51/39/78/1031513978.db2.gz QMRQBRWZSWLSPK-KRWDZBQOSA-N 2 2 332.536 4.056 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000449193116 1031513983 /nfs/dbraw/zinc/51/39/83/1031513983.db2.gz QMRQBRWZSWLSPK-KRWDZBQOSA-N 2 2 332.536 4.056 20 0 EIADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cs1 ZINC000449196022 1031515934 /nfs/dbraw/zinc/51/59/34/1031515934.db2.gz WIGBZICAAZZFKY-LJQANCHMSA-N 2 2 325.481 4.401 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1sccc1Br ZINC000531738838 1031518818 /nfs/dbraw/zinc/51/88/18/1031518818.db2.gz ZGOCTBPXWZMALL-SDDRHHMPSA-N 2 2 331.323 4.034 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)nc2c1 ZINC000528441685 1031526911 /nfs/dbraw/zinc/52/69/11/1031526911.db2.gz QSFCYZNFZMJMRL-HZPDHXFCSA-N 2 2 343.540 4.347 20 0 EIADLP Cc1ccc2sc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000528441685 1031526925 /nfs/dbraw/zinc/52/69/25/1031526925.db2.gz QSFCYZNFZMJMRL-HZPDHXFCSA-N 2 2 343.540 4.347 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000453100442 1031557109 /nfs/dbraw/zinc/55/71/09/1031557109.db2.gz WYOCUPYYXFXENY-KRWDZBQOSA-N 2 2 339.483 4.399 20 0 EIADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc2ccccc21 ZINC000449229724 1031560851 /nfs/dbraw/zinc/56/08/51/1031560851.db2.gz DKHSYFDTCLGIQR-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc2ccccc21 ZINC000449229724 1031560865 /nfs/dbraw/zinc/56/08/65/1031560865.db2.gz DKHSYFDTCLGIQR-KRWDZBQOSA-N 2 2 349.478 4.037 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453090148 1031581498 /nfs/dbraw/zinc/58/14/98/1031581498.db2.gz KUACSOZFFJFXBQ-QGZVFWFLSA-N 2 2 349.482 4.025 20 0 EIADLP Clc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000449259081 1031582148 /nfs/dbraw/zinc/58/21/48/1031582148.db2.gz POHXHXROOFIXLY-ZWKOTPCHSA-N 2 2 327.859 4.077 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126339943 1031643464 /nfs/dbraw/zinc/64/34/64/1031643464.db2.gz NZNKSPNOCAWXPN-KNQAVFIVSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126339943 1031643475 /nfs/dbraw/zinc/64/34/75/1031643475.db2.gz NZNKSPNOCAWXPN-KNQAVFIVSA-N 2 2 349.522 4.004 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981017 1031644928 /nfs/dbraw/zinc/64/49/28/1031644928.db2.gz NUZQGLZOWSJFGQ-FCJDFRRUSA-N 2 2 349.522 4.174 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000375981017 1031644938 /nfs/dbraw/zinc/64/49/38/1031644938.db2.gz NUZQGLZOWSJFGQ-FCJDFRRUSA-N 2 2 349.522 4.174 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453177556 1031649112 /nfs/dbraw/zinc/64/91/12/1031649112.db2.gz RXIMIOHEAOZGPE-KKSFZXQISA-N 2 2 327.516 4.165 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453177552 1031649732 /nfs/dbraw/zinc/64/97/32/1031649732.db2.gz RXIMIOHEAOZGPE-IERDGZPVSA-N 2 2 327.516 4.165 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccncc1 ZINC000453168974 1031675780 /nfs/dbraw/zinc/67/57/80/1031675780.db2.gz KCHMGJHRSOYZGI-NHCUHLMSSA-N 2 2 334.467 4.377 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[NH+]1CCCCC1 ZINC000453196604 1031706350 /nfs/dbraw/zinc/70/63/50/1031706350.db2.gz QXGGJHUJAMSZOV-ROUUACIJSA-N 2 2 340.515 4.002 20 0 EIADLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000459306896 1031765091 /nfs/dbraw/zinc/76/50/91/1031765091.db2.gz QFGYDMKKCHYTDD-UHFFFAOYSA-N 2 2 326.271 4.180 20 0 EIADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000459306896 1031765098 /nfs/dbraw/zinc/76/50/98/1031765098.db2.gz QFGYDMKKCHYTDD-UHFFFAOYSA-N 2 2 326.271 4.180 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000130871040 1031852719 /nfs/dbraw/zinc/85/27/19/1031852719.db2.gz KQYGAXQWDJASDA-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000130871040 1031852724 /nfs/dbraw/zinc/85/27/24/1031852724.db2.gz KQYGAXQWDJASDA-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531941104 1031854051 /nfs/dbraw/zinc/85/40/51/1031854051.db2.gz PPCGIRINQOBWTL-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453351334 1031878853 /nfs/dbraw/zinc/87/88/53/1031878853.db2.gz IHTZWQANTTZZCI-VQIMIIECSA-N 2 2 327.497 4.152 20 0 EIADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453351334 1031878857 /nfs/dbraw/zinc/87/88/57/1031878857.db2.gz IHTZWQANTTZZCI-VQIMIIECSA-N 2 2 327.497 4.152 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(OC)c1 ZINC000132140779 1031898956 /nfs/dbraw/zinc/89/89/56/1031898956.db2.gz RYPCBIFGICSOHF-NRFANRHFSA-N 2 2 349.478 4.223 20 0 EIADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368715 1031960654 /nfs/dbraw/zinc/96/06/54/1031960654.db2.gz PIYQWDFTKLYNDK-GUYCJALGSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368715 1031960669 /nfs/dbraw/zinc/96/06/69/1031960669.db2.gz PIYQWDFTKLYNDK-GUYCJALGSA-N 2 2 337.389 4.065 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152111309 1033520592 /nfs/dbraw/zinc/52/05/92/1033520592.db2.gz JSIOFPVMDQPUOS-QZTJIDSGSA-N 2 2 349.478 4.222 20 0 EIADLP FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513345087 1034891188 /nfs/dbraw/zinc/89/11/88/1034891188.db2.gz GOINKEGCVSOBHK-ZBFHGGJFSA-N 2 2 341.421 4.009 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489334 1034983183 /nfs/dbraw/zinc/98/31/83/1034983183.db2.gz HHSNQIFRGBAMCK-LAUBAEHRSA-N 2 2 338.495 4.499 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513489334 1034983189 /nfs/dbraw/zinc/98/31/89/1034983189.db2.gz HHSNQIFRGBAMCK-LAUBAEHRSA-N 2 2 338.495 4.499 20 0 EIADLP Fc1cccc([C@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000280173401 1035196123 /nfs/dbraw/zinc/19/61/23/1035196123.db2.gz GDQCIWMLYKYNMB-FXAWDEMLSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000501036740 1035361801 /nfs/dbraw/zinc/36/18/01/1035361801.db2.gz OUAYCPQELGXEQE-AWEZNQCLSA-N 2 2 325.378 4.028 20 0 EIADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000501036740 1035361804 /nfs/dbraw/zinc/36/18/04/1035361804.db2.gz OUAYCPQELGXEQE-AWEZNQCLSA-N 2 2 325.378 4.028 20 0 EIADLP c1cn2c(cccc2CNc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH+]1 ZINC000419735113 1035403157 /nfs/dbraw/zinc/40/31/57/1035403157.db2.gz FOYFADJFRCQVBU-UHFFFAOYSA-N 2 2 331.423 4.023 20 0 EIADLP FC(F)c1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420308523 1035506192 /nfs/dbraw/zinc/50/61/92/1035506192.db2.gz KIMWEWXZZZFSQN-LJQANCHMSA-N 2 2 345.437 4.164 20 0 EIADLP FC(F)c1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420308523 1035506200 /nfs/dbraw/zinc/50/62/00/1035506200.db2.gz KIMWEWXZZZFSQN-LJQANCHMSA-N 2 2 345.437 4.164 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1c(F)cccc1N1CCCC1)C1CCCCC1 ZINC000596629395 1035944605 /nfs/dbraw/zinc/94/46/05/1035944605.db2.gz DNXVXJNLXZRQMR-UHFFFAOYSA-N 2 2 347.522 4.170 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1c(F)cccc1N1CCCC1)C1CCCCC1 ZINC000596629395 1035944616 /nfs/dbraw/zinc/94/46/16/1035944616.db2.gz DNXVXJNLXZRQMR-UHFFFAOYSA-N 2 2 347.522 4.170 20 0 EIADLP C[C@H](CCC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000571350677 1036032556 /nfs/dbraw/zinc/03/25/56/1036032556.db2.gz ZKENDZGQATYMLO-MRXNPFEDSA-N 2 2 332.536 4.239 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306930 1036066011 /nfs/dbraw/zinc/06/60/11/1036066011.db2.gz DESQAVJDMQAOEX-FUHWJXTLSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306930 1036066037 /nfs/dbraw/zinc/06/60/37/1036066037.db2.gz DESQAVJDMQAOEX-FUHWJXTLSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323845 1036077755 /nfs/dbraw/zinc/07/77/55/1036077755.db2.gz XYSWYRIIIYWAFW-AZUAARDMSA-N 2 2 337.511 4.278 20 0 EIADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323845 1036077786 /nfs/dbraw/zinc/07/77/86/1036077786.db2.gz XYSWYRIIIYWAFW-AZUAARDMSA-N 2 2 337.511 4.278 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)oc1C ZINC000502695286 1036510294 /nfs/dbraw/zinc/51/02/94/1036510294.db2.gz DWCBTEDUIZWJQU-QGZVFWFLSA-N 2 2 326.484 4.254 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1Cl ZINC000421820446 1036773508 /nfs/dbraw/zinc/77/35/08/1036773508.db2.gz MIIWFNILIXOYJF-INIZCTEOSA-N 2 2 343.902 4.093 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000572638856 1036804691 /nfs/dbraw/zinc/80/46/91/1036804691.db2.gz VAKMBSKXNJTMOL-CKNOQMABSA-N 2 2 337.389 4.231 20 0 EIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572782358 1036823725 /nfs/dbraw/zinc/82/37/25/1036823725.db2.gz TUSDXIZUADMLLQ-SFHVURJKSA-N 2 2 325.481 4.172 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669681836 1036848981 /nfs/dbraw/zinc/84/89/81/1036848981.db2.gz MDJCEESCUVZBGQ-OOXMNIKJSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669681836 1036848982 /nfs/dbraw/zinc/84/89/82/1036848982.db2.gz MDJCEESCUVZBGQ-OOXMNIKJSA-N 2 2 338.417 4.183 20 0 EIADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000272036164 1037082711 /nfs/dbraw/zinc/08/27/11/1037082711.db2.gz XJQBXJPCBOKKRY-IBGZPJMESA-N 2 2 337.471 4.041 20 0 EIADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000272036164 1037082730 /nfs/dbraw/zinc/08/27/30/1037082730.db2.gz XJQBXJPCBOKKRY-IBGZPJMESA-N 2 2 337.471 4.041 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CS[C@@H](C(C)C)C2)c(C)c1 ZINC000488450386 1037603390 /nfs/dbraw/zinc/60/33/90/1037603390.db2.gz SDOYSKUFDZNQOL-YSIASYRMSA-N 2 2 343.540 4.361 20 0 EIADLP Fc1ccc(/C=C\C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000573726508 1037679611 /nfs/dbraw/zinc/67/96/11/1037679611.db2.gz IRNFOXAIXOTOQY-RQOWECAXSA-N 2 2 345.437 4.367 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378413 1037727478 /nfs/dbraw/zinc/72/74/78/1037727478.db2.gz QEXYGQVPMKTIAQ-GDBMZVCRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378413 1037727497 /nfs/dbraw/zinc/72/74/97/1037727497.db2.gz QEXYGQVPMKTIAQ-GDBMZVCRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378418 1037728892 /nfs/dbraw/zinc/72/88/92/1037728892.db2.gz QEXYGQVPMKTIAQ-GOEBONIOSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378418 1037728910 /nfs/dbraw/zinc/72/89/10/1037728910.db2.gz QEXYGQVPMKTIAQ-GOEBONIOSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380011 1037733195 /nfs/dbraw/zinc/73/31/95/1037733195.db2.gz VIQXHYGZGGHGLQ-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380011 1037733212 /nfs/dbraw/zinc/73/32/12/1037733212.db2.gz VIQXHYGZGGHGLQ-CABCVRRESA-N 2 2 345.437 4.438 20 0 EIADLP Fc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503405659 1037740294 /nfs/dbraw/zinc/74/02/94/1037740294.db2.gz KMHCCALRGVCOLW-SFHVURJKSA-N 2 2 341.474 4.171 20 0 EIADLP Fc1cccc(CCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503405659 1037740314 /nfs/dbraw/zinc/74/03/14/1037740314.db2.gz KMHCCALRGVCOLW-SFHVURJKSA-N 2 2 341.474 4.171 20 0 EIADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503410484 1037743796 /nfs/dbraw/zinc/74/37/96/1037743796.db2.gz BBAHWPBLWJNGMX-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503410484 1037743821 /nfs/dbraw/zinc/74/38/21/1037743821.db2.gz BBAHWPBLWJNGMX-HXUWFJFHSA-N 2 2 337.511 4.340 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000422786770 1037833366 /nfs/dbraw/zinc/83/33/66/1037833366.db2.gz QSVPLCHWMHAPOC-CKFHNAJUSA-N 2 2 332.875 4.153 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422872595 1037858499 /nfs/dbraw/zinc/85/84/99/1037858499.db2.gz HSHQRHKHIGOWNN-NHCUHLMSSA-N 2 2 346.478 4.230 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422971946 1037892828 /nfs/dbraw/zinc/89/28/28/1037892828.db2.gz ZEPFPWKQPDYTRH-CZAYHTPWSA-N 2 2 336.479 4.024 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000423024205 1037912475 /nfs/dbraw/zinc/91/24/75/1037912475.db2.gz IQUMCTHFVCJZOY-KZNAEPCWSA-N 2 2 328.843 4.288 20 0 EIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055905 1037925994 /nfs/dbraw/zinc/92/59/94/1037925994.db2.gz DYQWRLHMAQFQKS-BIMULSAOSA-N 2 2 337.286 4.306 20 0 EIADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000414716818 1037949246 /nfs/dbraw/zinc/94/92/46/1037949246.db2.gz YISLERBHTRHCKF-HNNXBMFYSA-N 2 2 335.879 4.034 20 0 EIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000423193095 1038051431 /nfs/dbraw/zinc/05/14/31/1038051431.db2.gz WLFSJBNMJVTBTG-ZDUSSCGKSA-N 2 2 338.282 4.219 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423496135 1038265286 /nfs/dbraw/zinc/26/52/86/1038265286.db2.gz DIXBTRQTQVEGMK-SUMWQHHRSA-N 2 2 325.481 4.209 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H](C)C2 ZINC000490158652 1038364722 /nfs/dbraw/zinc/36/47/22/1038364722.db2.gz SXVOGIISWTXUDO-WZONZLPQSA-N 2 2 345.490 4.305 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168565 1038366839 /nfs/dbraw/zinc/36/68/39/1038366839.db2.gz XJWDOVWJSQMGBJ-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000490168565 1038366853 /nfs/dbraw/zinc/36/68/53/1038366853.db2.gz XJWDOVWJSQMGBJ-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000490172609 1038369061 /nfs/dbraw/zinc/36/90/61/1038369061.db2.gz PAOUTQVSXILLTM-INIZCTEOSA-N 2 2 344.449 4.376 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000490172609 1038369071 /nfs/dbraw/zinc/36/90/71/1038369071.db2.gz PAOUTQVSXILLTM-INIZCTEOSA-N 2 2 344.449 4.376 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000173490599 1038373992 /nfs/dbraw/zinc/37/39/92/1038373992.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000173490599 1038374004 /nfs/dbraw/zinc/37/40/04/1038374004.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490599 1038374017 /nfs/dbraw/zinc/37/40/17/1038374017.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490599 1038374026 /nfs/dbraw/zinc/37/40/26/1038374026.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000173490615 1038374400 /nfs/dbraw/zinc/37/44/00/1038374400.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000173490615 1038374414 /nfs/dbraw/zinc/37/44/14/1038374414.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490615 1038374424 /nfs/dbraw/zinc/37/44/24/1038374424.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490615 1038374438 /nfs/dbraw/zinc/37/44/38/1038374438.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 2 2 343.902 4.220 20 0 EIADLP CC(C)Oc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608071269 1038485582 /nfs/dbraw/zinc/48/55/82/1038485582.db2.gz IVBWFFKSXXOLRZ-NRFANRHFSA-N 2 2 349.478 4.281 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000424322167 1038804783 /nfs/dbraw/zinc/80/47/83/1038804783.db2.gz UZYACOCZIWTTNB-KGLIPLIRSA-N 2 2 333.863 4.082 20 0 EIADLP CC(C)[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773029 1038807716 /nfs/dbraw/zinc/80/77/16/1038807716.db2.gz YHIWOJQMEXVRBW-YADHBBJMSA-N 2 2 337.511 4.279 20 0 EIADLP CC(C)[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773029 1038807719 /nfs/dbraw/zinc/80/77/19/1038807719.db2.gz YHIWOJQMEXVRBW-YADHBBJMSA-N 2 2 337.511 4.279 20 0 EIADLP Cc1ccc(-c2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)on2)cc1 ZINC000534127338 1039144525 /nfs/dbraw/zinc/14/45/25/1039144525.db2.gz CFBZVARQBKSVBY-UHFFFAOYSA-N 2 2 348.450 4.122 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000090417326 1039223559 /nfs/dbraw/zinc/22/35/59/1039223559.db2.gz DRPHZRPSQGGOBB-HUUCEWRRSA-N 2 2 329.513 4.328 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000090418804 1039226398 /nfs/dbraw/zinc/22/63/98/1039226398.db2.gz WREISKWDAUURBW-MPGHIAIKSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000090418804 1039226414 /nfs/dbraw/zinc/22/64/14/1039226414.db2.gz WREISKWDAUURBW-MPGHIAIKSA-N 2 2 329.513 4.013 20 0 EIADLP CC(C)(C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000477921290 1039232397 /nfs/dbraw/zinc/23/23/97/1039232397.db2.gz NXSDMYMZYOFUJV-FQEVSTJZSA-N 2 2 341.474 4.022 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667389 1039273956 /nfs/dbraw/zinc/27/39/56/1039273956.db2.gz UCOXMCHUBGJWPQ-UWJYYQICSA-N 2 2 338.499 4.133 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000552256657 1039317015 /nfs/dbraw/zinc/31/70/15/1039317015.db2.gz WJTLDRFBMCGRFR-RDJZCZTQSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000552256657 1039317035 /nfs/dbraw/zinc/31/70/35/1039317035.db2.gz WJTLDRFBMCGRFR-RDJZCZTQSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256657 1039317058 /nfs/dbraw/zinc/31/70/58/1039317058.db2.gz WJTLDRFBMCGRFR-RDJZCZTQSA-N 2 2 332.875 4.418 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)CC[NH+]1Cc1ccccc1 ZINC000552256657 1039317075 /nfs/dbraw/zinc/31/70/75/1039317075.db2.gz WJTLDRFBMCGRFR-RDJZCZTQSA-N 2 2 332.875 4.418 20 0 EIADLP Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000555525202 1039335020 /nfs/dbraw/zinc/33/50/20/1039335020.db2.gz YNHLQLALRZHFGA-UHFFFAOYSA-N 2 2 325.843 4.183 20 0 EIADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552272115 1039346432 /nfs/dbraw/zinc/34/64/32/1039346432.db2.gz CMLHJFQCJCNXKU-INIZCTEOSA-N 2 2 348.412 4.058 20 0 EIADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552272115 1039346444 /nfs/dbraw/zinc/34/64/44/1039346444.db2.gz CMLHJFQCJCNXKU-INIZCTEOSA-N 2 2 348.412 4.058 20 0 EIADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552272115 1039346457 /nfs/dbraw/zinc/34/64/57/1039346457.db2.gz CMLHJFQCJCNXKU-INIZCTEOSA-N 2 2 348.412 4.058 20 0 EIADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552272115 1039346467 /nfs/dbraw/zinc/34/64/67/1039346467.db2.gz CMLHJFQCJCNXKU-INIZCTEOSA-N 2 2 348.412 4.058 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066351 1039455547 /nfs/dbraw/zinc/45/55/47/1039455547.db2.gz RHCXCGHKTMYJSZ-VQIMIIECSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066351 1039455554 /nfs/dbraw/zinc/45/55/54/1039455554.db2.gz RHCXCGHKTMYJSZ-VQIMIIECSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066351 1039455559 /nfs/dbraw/zinc/45/55/59/1039455559.db2.gz RHCXCGHKTMYJSZ-VQIMIIECSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066351 1039455566 /nfs/dbraw/zinc/45/55/66/1039455566.db2.gz RHCXCGHKTMYJSZ-VQIMIIECSA-N 2 2 345.556 4.249 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122789682 1039794548 /nfs/dbraw/zinc/79/45/48/1039794548.db2.gz MKFHFLILLIFTCW-DLBZAZTESA-N 2 2 335.451 4.250 20 0 EIADLP FC(F)(F)c1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)cc1 ZINC000505465863 1039802972 /nfs/dbraw/zinc/80/29/72/1039802972.db2.gz YWJXMMABADCTNU-UHFFFAOYSA-N 2 2 337.389 4.351 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000537648065 1039822799 /nfs/dbraw/zinc/82/27/99/1039822799.db2.gz VGFIHGDOVYJYHH-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000537648065 1039822800 /nfs/dbraw/zinc/82/28/00/1039822800.db2.gz VGFIHGDOVYJYHH-INIZCTEOSA-N 2 2 340.458 4.069 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000434760091 1039862448 /nfs/dbraw/zinc/86/24/48/1039862448.db2.gz YAGJDADQRXOQKK-CMKODMSKSA-N 2 2 344.543 4.301 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CCC2 ZINC000551050429 1039906957 /nfs/dbraw/zinc/90/69/57/1039906957.db2.gz IRQJTVSDRVEKBT-HKUYNNGSSA-N 2 2 343.902 4.333 20 0 EIADLP Fc1ccccc1[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000482074514 1039983994 /nfs/dbraw/zinc/98/39/94/1039983994.db2.gz WHXVLYNKSMJYNE-SJLPKXTDSA-N 2 2 339.458 4.115 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000482362200 1040202341 /nfs/dbraw/zinc/20/23/41/1040202341.db2.gz VSZBVVZWTSTGKC-LSDHHAIUSA-N 2 2 339.321 4.220 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000482362200 1040202371 /nfs/dbraw/zinc/20/23/71/1040202371.db2.gz VSZBVVZWTSTGKC-LSDHHAIUSA-N 2 2 339.321 4.220 20 0 EIADLP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000514892800 1040316548 /nfs/dbraw/zinc/31/65/48/1040316548.db2.gz CGCXZLGACKPHLI-IAGOWNOFSA-N 2 2 331.891 4.167 20 0 EIADLP CC(C)C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cccs1 ZINC000482544291 1040341616 /nfs/dbraw/zinc/34/16/16/1040341616.db2.gz RLFQTAZIMHCGOZ-KRWDZBQOSA-N 2 2 336.545 4.070 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000482632036 1040397601 /nfs/dbraw/zinc/39/76/01/1040397601.db2.gz PCWRKEKMSFTKKV-KRWDZBQOSA-N 2 2 340.511 4.380 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497605 1040399945 /nfs/dbraw/zinc/39/99/45/1040399945.db2.gz ILIGGLLFGYPNPH-MGPUTAFESA-N 2 2 348.450 4.148 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497605 1040399959 /nfs/dbraw/zinc/39/99/59/1040399959.db2.gz ILIGGLLFGYPNPH-MGPUTAFESA-N 2 2 348.450 4.148 20 0 EIADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000668104700 1040430974 /nfs/dbraw/zinc/43/09/74/1040430974.db2.gz MBAKIMCCSCVCSR-GOSISDBHSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)[nH]c2c1 ZINC000668104700 1040430981 /nfs/dbraw/zinc/43/09/81/1040430981.db2.gz MBAKIMCCSCVCSR-GOSISDBHSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000668104512 1040431315 /nfs/dbraw/zinc/43/13/15/1040431315.db2.gz IRFSOLYIYFGVAX-KRWDZBQOSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000668104512 1040431324 /nfs/dbraw/zinc/43/13/24/1040431324.db2.gz IRFSOLYIYFGVAX-KRWDZBQOSA-N 2 2 348.494 4.389 20 0 EIADLP Clc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cs2)cc1 ZINC000666998094 1040440750 /nfs/dbraw/zinc/44/07/50/1040440750.db2.gz AOJKUXQDSFQNDT-HNNXBMFYSA-N 2 2 347.915 4.228 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000482797727 1040493927 /nfs/dbraw/zinc/49/39/27/1040493927.db2.gz GDNRGOQFXQYDHH-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP CC(C)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(F)(F)F ZINC000669830617 1040509871 /nfs/dbraw/zinc/50/98/71/1040509871.db2.gz OADLARAKDSRJLO-HNNXBMFYSA-N 2 2 328.422 4.218 20 0 EIADLP CC(C)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(F)(F)F ZINC000669830617 1040509891 /nfs/dbraw/zinc/50/98/91/1040509891.db2.gz OADLARAKDSRJLO-HNNXBMFYSA-N 2 2 328.422 4.218 20 0 EIADLP Clc1cccc2c1SCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152820584 1040512562 /nfs/dbraw/zinc/51/25/62/1040512562.db2.gz QEJGMABFPTZNIP-MRXNPFEDSA-N 2 2 347.915 4.242 20 0 EIADLP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000539657845 1040660151 /nfs/dbraw/zinc/66/01/51/1040660151.db2.gz BMTAQKDCOABOAC-HKUYNNGSSA-N 2 2 338.499 4.012 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924728387 1040681260 /nfs/dbraw/zinc/68/12/60/1040681260.db2.gz FKIWJNJRJZVMQD-HZPDHXFCSA-N 2 2 332.879 4.013 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124335 1040716815 /nfs/dbraw/zinc/71/68/15/1040716815.db2.gz GVDYJBJHJWQNLM-VGSWGCGISA-N 2 2 336.479 4.032 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124335 1040716830 /nfs/dbraw/zinc/71/68/30/1040716830.db2.gz GVDYJBJHJWQNLM-VGSWGCGISA-N 2 2 336.479 4.032 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CCC2 ZINC000483441240 1040862167 /nfs/dbraw/zinc/86/21/67/1040862167.db2.gz PSNDQKHMVSMSOP-PMACEKPBSA-N 2 2 325.500 4.234 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483804555 1041016678 /nfs/dbraw/zinc/01/66/78/1041016678.db2.gz HCYKRGKTFPYLMS-GHTZIAJQSA-N 2 2 329.532 4.242 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000483804555 1041016693 /nfs/dbraw/zinc/01/66/93/1041016693.db2.gz HCYKRGKTFPYLMS-GHTZIAJQSA-N 2 2 329.532 4.242 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000436271033 1041042635 /nfs/dbraw/zinc/04/26/35/1041042635.db2.gz CHAZDNTVIFBZHI-DHIUTWEWSA-N 2 2 345.490 4.432 20 0 EIADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000470302233 1041058395 /nfs/dbraw/zinc/05/83/95/1041058395.db2.gz FSYGBORRBYLMCU-IBGZPJMESA-N 2 2 325.500 4.041 20 0 EIADLP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000470302233 1041058409 /nfs/dbraw/zinc/05/84/09/1041058409.db2.gz FSYGBORRBYLMCU-IBGZPJMESA-N 2 2 325.500 4.041 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+]C2[C@H](C)CCC[C@H]2C)CCOCC1)c1ccccc1 ZINC000484180321 1041154835 /nfs/dbraw/zinc/15/48/35/1041154835.db2.gz TXDXPMYBEZGDCY-QRVBRYPASA-N 2 2 344.543 4.301 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000484306403 1041191595 /nfs/dbraw/zinc/19/15/95/1041191595.db2.gz WPXAPDOBMHOKAL-IRFCIJBXSA-N 2 2 331.548 4.488 20 0 EIADLP CCCC[C@H](CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000484306403 1041191618 /nfs/dbraw/zinc/19/16/18/1041191618.db2.gz WPXAPDOBMHOKAL-IRFCIJBXSA-N 2 2 331.548 4.488 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281743 1041241697 /nfs/dbraw/zinc/24/16/97/1041241697.db2.gz QZMQVQWVJGAKCW-QFBILLFUSA-N 2 2 349.950 4.102 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281743 1041241714 /nfs/dbraw/zinc/24/17/14/1041241714.db2.gz QZMQVQWVJGAKCW-QFBILLFUSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281743 1041241732 /nfs/dbraw/zinc/24/17/32/1041241732.db2.gz QZMQVQWVJGAKCW-QFBILLFUSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@@H](C)C1 ZINC000538281743 1041241743 /nfs/dbraw/zinc/24/17/43/1041241743.db2.gz QZMQVQWVJGAKCW-QFBILLFUSA-N 2 2 349.950 4.102 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000484499892 1041277454 /nfs/dbraw/zinc/27/74/54/1041277454.db2.gz XFNILXVDFIFZIQ-SFHVURJKSA-N 2 2 334.891 4.160 20 0 EIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480523938 1041355459 /nfs/dbraw/zinc/35/54/59/1041355459.db2.gz FIAITALBFWXVCU-PMACEKPBSA-N 2 2 325.500 4.278 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000480604398 1041429525 /nfs/dbraw/zinc/42/95/25/1041429525.db2.gz BFFUWFVSBCMDRW-QXAKKESOSA-N 2 2 346.515 4.152 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000480604398 1041429536 /nfs/dbraw/zinc/42/95/36/1041429536.db2.gz BFFUWFVSBCMDRW-QXAKKESOSA-N 2 2 346.515 4.152 20 0 EIADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554585 1041539714 /nfs/dbraw/zinc/53/97/14/1041539714.db2.gz QVWHOBURZDICBF-RHSMWYFYSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540554585 1041539717 /nfs/dbraw/zinc/53/97/17/1041539717.db2.gz QVWHOBURZDICBF-RHSMWYFYSA-N 2 2 337.389 4.375 20 0 EIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000437096529 1041642542 /nfs/dbraw/zinc/64/25/42/1041642542.db2.gz MLGOGRMVKSQVIS-YSGRDPCXSA-N 2 2 346.490 4.282 20 0 EIADLP Cc1ccccc1CC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541542216 1041992112 /nfs/dbraw/zinc/99/21/12/1041992112.db2.gz ZZFIAYFVWIDOCU-UHFFFAOYSA-N 2 2 325.481 4.353 20 0 EIADLP Fc1ccc(CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000541534904 1041999922 /nfs/dbraw/zinc/99/99/22/1041999922.db2.gz FTIUPOJEWDUNIK-UHFFFAOYSA-N 2 2 341.455 4.280 20 0 EIADLP Fc1ccc(CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000541534904 1041999930 /nfs/dbraw/zinc/99/99/30/1041999930.db2.gz FTIUPOJEWDUNIK-UHFFFAOYSA-N 2 2 341.455 4.280 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074961 1042031773 /nfs/dbraw/zinc/03/17/73/1042031773.db2.gz NSQXEYUBJUYTQS-GOSISDBHSA-N 2 2 342.458 4.392 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074961 1042031781 /nfs/dbraw/zinc/03/17/81/1042031781.db2.gz NSQXEYUBJUYTQS-GOSISDBHSA-N 2 2 342.458 4.392 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074961 1042031789 /nfs/dbraw/zinc/03/17/89/1042031789.db2.gz NSQXEYUBJUYTQS-GOSISDBHSA-N 2 2 342.458 4.392 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074961 1042031799 /nfs/dbraw/zinc/03/17/99/1042031799.db2.gz NSQXEYUBJUYTQS-GOSISDBHSA-N 2 2 342.458 4.392 20 0 EIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074963 1042032307 /nfs/dbraw/zinc/03/23/07/1042032307.db2.gz NSQXEYUBJUYTQS-SFHVURJKSA-N 2 2 342.458 4.392 20 0 EIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074963 1042032313 /nfs/dbraw/zinc/03/23/13/1042032313.db2.gz NSQXEYUBJUYTQS-SFHVURJKSA-N 2 2 342.458 4.392 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074963 1042032319 /nfs/dbraw/zinc/03/23/19/1042032319.db2.gz NSQXEYUBJUYTQS-SFHVURJKSA-N 2 2 342.458 4.392 20 0 EIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC000438074963 1042032324 /nfs/dbraw/zinc/03/23/24/1042032324.db2.gz NSQXEYUBJUYTQS-SFHVURJKSA-N 2 2 342.458 4.392 20 0 EIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000465010924 1042280566 /nfs/dbraw/zinc/28/05/66/1042280566.db2.gz KEURJHLOZMHFJZ-UHFFFAOYSA-N 2 2 326.484 4.471 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000669932567 1042409005 /nfs/dbraw/zinc/40/90/05/1042409005.db2.gz WCEPDLPRMBGIEO-LPHOPBHVSA-N 2 2 325.456 4.015 20 0 EIADLP COc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000491368722 1042428156 /nfs/dbraw/zinc/42/81/56/1042428156.db2.gz QOSILNFNUBMISP-FQEVSTJZSA-N 2 2 344.474 4.101 20 0 EIADLP Cc1cc(C)cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000237142277 1042552350 /nfs/dbraw/zinc/55/23/50/1042552350.db2.gz WKPKWPWBKOWORH-UHFFFAOYSA-N 2 2 337.511 4.128 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000173434148 1042572661 /nfs/dbraw/zinc/57/26/61/1042572661.db2.gz MIIUGACFOAMCMQ-RBUKOAKNSA-N 2 2 338.495 4.237 20 0 EIADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Cl)c1 ZINC001167964877 1042717297 /nfs/dbraw/zinc/71/72/97/1042717297.db2.gz ZGZHQFUHXSKBBY-ALOPSCKCSA-N 2 2 339.310 4.488 20 0 EIADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Cl)c1 ZINC001167964877 1042717304 /nfs/dbraw/zinc/71/73/04/1042717304.db2.gz ZGZHQFUHXSKBBY-ALOPSCKCSA-N 2 2 339.310 4.488 20 0 EIADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OCC(C)C ZINC000506644774 1042727490 /nfs/dbraw/zinc/72/74/90/1042727490.db2.gz DSVLAXKWJJCPEO-UHFFFAOYSA-N 2 2 348.531 4.036 20 0 EIADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OCC(C)C ZINC000506644774 1042727500 /nfs/dbraw/zinc/72/75/00/1042727500.db2.gz DSVLAXKWJJCPEO-UHFFFAOYSA-N 2 2 348.531 4.036 20 0 EIADLP C[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134161755 1042887305 /nfs/dbraw/zinc/88/73/05/1042887305.db2.gz AWJPJHWBFXYXTJ-UGSOOPFHSA-N 2 2 326.831 4.172 20 0 EIADLP CC[N@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004253 1042919543 /nfs/dbraw/zinc/91/95/43/1042919543.db2.gz RZHDGJRWUCDSPF-JWTNVVGKSA-N 2 2 334.454 4.192 20 0 EIADLP CC[N@@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004253 1042919549 /nfs/dbraw/zinc/91/95/49/1042919549.db2.gz RZHDGJRWUCDSPF-JWTNVVGKSA-N 2 2 334.454 4.192 20 0 EIADLP CC[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004253 1042919550 /nfs/dbraw/zinc/91/95/50/1042919550.db2.gz RZHDGJRWUCDSPF-JWTNVVGKSA-N 2 2 334.454 4.192 20 0 EIADLP CC[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004253 1042919555 /nfs/dbraw/zinc/91/95/55/1042919555.db2.gz RZHDGJRWUCDSPF-JWTNVVGKSA-N 2 2 334.454 4.192 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2Cl)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005480 1042970654 /nfs/dbraw/zinc/97/06/54/1042970654.db2.gz IZJHHMLJGVFSAC-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005480 1042970659 /nfs/dbraw/zinc/97/06/59/1042970659.db2.gz IZJHHMLJGVFSAC-HGKCTWBKSA-N 2 2 343.902 4.266 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191899 1043039213 /nfs/dbraw/zinc/03/92/13/1043039213.db2.gz KAYCNTQTGSQFTB-OWCLPIDISA-N 2 2 347.572 4.326 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191899 1043039219 /nfs/dbraw/zinc/03/92/19/1043039219.db2.gz KAYCNTQTGSQFTB-OWCLPIDISA-N 2 2 347.572 4.326 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2c(s1)CCCC2 ZINC000183191859 1043040225 /nfs/dbraw/zinc/04/02/25/1043040225.db2.gz KAYCNTQTGSQFTB-HRCADAONSA-N 2 2 347.572 4.326 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2c(s1)CCCC2 ZINC000183191859 1043040232 /nfs/dbraw/zinc/04/02/32/1043040232.db2.gz KAYCNTQTGSQFTB-HRCADAONSA-N 2 2 347.572 4.326 20 0 EIADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000184662188 1043122032 /nfs/dbraw/zinc/12/20/32/1043122032.db2.gz GKFMNWRIDFVPNH-AWEZNQCLSA-N 2 2 342.886 4.019 20 0 EIADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000507827503 1043129509 /nfs/dbraw/zinc/12/95/09/1043129509.db2.gz DPQOOSDLONPVQY-HXUWFJFHSA-N 2 2 342.433 4.206 20 0 EIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427872872 1043242673 /nfs/dbraw/zinc/24/26/73/1043242673.db2.gz JZUAKRWXMDANDQ-WMZOPIPTSA-N 2 2 327.472 4.118 20 0 EIADLP COc1cccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000674048690 1043351424 /nfs/dbraw/zinc/35/14/24/1043351424.db2.gz ATFVRXVMVZBIQV-JXFKEZNVSA-N 2 2 335.451 4.063 20 0 EIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000520962771 1043462242 /nfs/dbraw/zinc/46/22/42/1043462242.db2.gz QLWSGHSCTVUDOI-UHFFFAOYSA-N 2 2 330.447 4.440 20 0 EIADLP CCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242689 1043462448 /nfs/dbraw/zinc/46/24/48/1043462448.db2.gz WEBWELBOWQSTNO-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242689 1043462457 /nfs/dbraw/zinc/46/24/57/1043462457.db2.gz WEBWELBOWQSTNO-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242689 1043462462 /nfs/dbraw/zinc/46/24/62/1043462462.db2.gz WEBWELBOWQSTNO-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428242689 1043462470 /nfs/dbraw/zinc/46/24/70/1043462470.db2.gz WEBWELBOWQSTNO-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166006947 1043492503 /nfs/dbraw/zinc/49/25/03/1043492503.db2.gz IXHSJDLBORGDFW-UWJYYQICSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166006947 1043492507 /nfs/dbraw/zinc/49/25/07/1043492507.db2.gz IXHSJDLBORGDFW-UWJYYQICSA-N 2 2 344.474 4.186 20 0 EIADLP Clc1ccccc1-c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000494469610 1043501830 /nfs/dbraw/zinc/50/18/30/1043501830.db2.gz UCSAQRKFUKWWHN-CYBMUJFWSA-N 2 2 343.883 4.370 20 0 EIADLP Clc1ccc(-c2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000674322008 1043597734 /nfs/dbraw/zinc/59/77/34/1043597734.db2.gz GNFUCFLDGDSRSM-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccc(-c2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000674322008 1043597753 /nfs/dbraw/zinc/59/77/53/1043597753.db2.gz GNFUCFLDGDSRSM-INIZCTEOSA-N 2 2 342.830 4.029 20 0 EIADLP Clc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665279998 1043659796 /nfs/dbraw/zinc/65/97/96/1043659796.db2.gz QWABRAQSPQKNGV-VXVMZULRSA-N 2 2 332.900 4.027 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1csc(Cl)c1 ZINC000191163015 1043789454 /nfs/dbraw/zinc/78/94/54/1043789454.db2.gz RVFOBFBDFHLSCL-ZDUSSCGKSA-N 2 2 331.872 4.497 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442711991 1043814546 /nfs/dbraw/zinc/81/45/46/1043814546.db2.gz TZOXRPXOOZISIL-FRFSOERESA-N 2 2 337.389 4.216 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442777037 1043830444 /nfs/dbraw/zinc/83/04/44/1043830444.db2.gz FMLHARASEHPQTM-SJLPKXTDSA-N 2 2 347.506 4.354 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014474 1043862563 /nfs/dbraw/zinc/86/25/63/1043862563.db2.gz LLTMUZOALPUHBJ-JWWGGVBKSA-N 2 2 335.495 4.100 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014474 1043862565 /nfs/dbraw/zinc/86/25/65/1043862565.db2.gz LLTMUZOALPUHBJ-JWWGGVBKSA-N 2 2 335.495 4.100 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1ccccc1 ZINC000474066004 1044339204 /nfs/dbraw/zinc/33/92/04/1044339204.db2.gz NOERLUZRCQTANF-MJUUVYJYSA-N 2 2 344.543 4.301 20 0 EIADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000675725409 1044458025 /nfs/dbraw/zinc/45/80/25/1044458025.db2.gz ZDJBAZSDZWAMQF-IBGZPJMESA-N 2 2 342.870 4.028 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675809787 1044509530 /nfs/dbraw/zinc/50/95/30/1044509530.db2.gz MMYLJFZFSWNUDO-ZVZYQTTQSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675809787 1044509546 /nfs/dbraw/zinc/50/95/46/1044509546.db2.gz MMYLJFZFSWNUDO-ZVZYQTTQSA-N 2 2 329.513 4.013 20 0 EIADLP Fc1ccc([C@H](CCCc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000494916304 1044513079 /nfs/dbraw/zinc/51/30/79/1044513079.db2.gz IABQTVVEMNDOIT-NRFANRHFSA-N 2 2 337.442 4.376 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1F ZINC000675923031 1044564365 /nfs/dbraw/zinc/56/43/65/1044564365.db2.gz RDJMLRCUSDVKSU-LIRRHRJNSA-N 2 2 341.405 4.333 20 0 EIADLP COc1ccccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923953 1044566716 /nfs/dbraw/zinc/56/67/16/1044566716.db2.gz VXSRDQDDEXPSES-VQIMIIECSA-N 2 2 335.451 4.063 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)o1 ZINC000522379964 1044672029 /nfs/dbraw/zinc/67/20/29/1044672029.db2.gz RNTGOYKKTHMVGQ-AWEZNQCLSA-N 2 2 327.403 4.017 20 0 EIADLP FC(F)(F)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000428862865 1044759348 /nfs/dbraw/zinc/75/93/48/1044759348.db2.gz WEFARHSXTPSIJX-UHFFFAOYSA-N 2 2 337.370 4.242 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766216644 1044917608 /nfs/dbraw/zinc/91/76/08/1044917608.db2.gz QIFRNMNKEDZGCW-UTKZUKDTSA-N 2 2 326.459 4.134 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766216644 1044917632 /nfs/dbraw/zinc/91/76/32/1044917632.db2.gz QIFRNMNKEDZGCW-UTKZUKDTSA-N 2 2 326.459 4.134 20 0 EIADLP FC1(F)[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccccc1 ZINC000922776060 1044937954 /nfs/dbraw/zinc/93/79/54/1044937954.db2.gz PEWCQYSIXDIDRM-IRXDYDNUSA-N 2 2 345.418 4.072 20 0 EIADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037015 1045048802 /nfs/dbraw/zinc/04/88/02/1045048802.db2.gz SLCVGTKSZSZMAQ-MRXNPFEDSA-N 2 2 345.339 4.113 20 0 EIADLP C[N@H+]1CC[C@@]2(CC[NH+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037015 1045048817 /nfs/dbraw/zinc/04/88/17/1045048817.db2.gz SLCVGTKSZSZMAQ-MRXNPFEDSA-N 2 2 345.339 4.113 20 0 EIADLP C[NH+]1CC[C@@]2(CC[N@H+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037015 1045048830 /nfs/dbraw/zinc/04/88/30/1045048830.db2.gz SLCVGTKSZSZMAQ-MRXNPFEDSA-N 2 2 345.339 4.113 20 0 EIADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037015 1045048841 /nfs/dbraw/zinc/04/88/41/1045048841.db2.gz SLCVGTKSZSZMAQ-MRXNPFEDSA-N 2 2 345.339 4.113 20 0 EIADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000626062537 1045165654 /nfs/dbraw/zinc/16/56/54/1045165654.db2.gz WESXYHBEGPJFHD-HNNXBMFYSA-N 2 2 344.503 4.012 20 0 EIADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000626062537 1045165659 /nfs/dbraw/zinc/16/56/59/1045165659.db2.gz WESXYHBEGPJFHD-HNNXBMFYSA-N 2 2 344.503 4.012 20 0 EIADLP Clc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000237753681 1045394175 /nfs/dbraw/zinc/39/41/75/1045394175.db2.gz NRXXIKKKMWZMLW-HXUWFJFHSA-N 2 2 341.886 4.445 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246380754 1045717815 /nfs/dbraw/zinc/71/78/15/1045717815.db2.gz KAPKFWBBRXXMSH-TWOQFEAHSA-N 2 2 333.435 4.088 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000246813608 1045831455 /nfs/dbraw/zinc/83/14/55/1045831455.db2.gz AVBIPIAMXGBBRG-XIRDDKMYSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000246813608 1045831457 /nfs/dbraw/zinc/83/14/57/1045831457.db2.gz AVBIPIAMXGBBRG-XIRDDKMYSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247123254 1045840774 /nfs/dbraw/zinc/84/07/74/1045840774.db2.gz RFTIWVPMOVTUCU-RTBURBONSA-N 3 2 340.515 4.178 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247123254 1045840782 /nfs/dbraw/zinc/84/07/82/1045840782.db2.gz RFTIWVPMOVTUCU-RTBURBONSA-N 3 2 340.515 4.178 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000247980643 1045861058 /nfs/dbraw/zinc/86/10/58/1045861058.db2.gz MLWKDHTZGYQZDM-VOQZNFBZSA-N 2 2 335.495 4.033 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000247980643 1045861060 /nfs/dbraw/zinc/86/10/60/1045861060.db2.gz MLWKDHTZGYQZDM-VOQZNFBZSA-N 2 2 335.495 4.033 20 0 EIADLP Cc1ccc(N([C@H](C)Cc2ccccc2Cl)C2CC[NH2+]CC2)[nH+]c1 ZINC001170295499 1045980362 /nfs/dbraw/zinc/98/03/62/1045980362.db2.gz UHINNAVPPQGAOT-MRXNPFEDSA-N 2 2 343.902 4.233 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170290601 1045992833 /nfs/dbraw/zinc/99/28/33/1045992833.db2.gz DHLFLABGLULSHA-NVXWUHKLSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170290601 1045992847 /nfs/dbraw/zinc/99/28/47/1045992847.db2.gz DHLFLABGLULSHA-NVXWUHKLSA-N 2 2 330.859 4.128 20 0 EIADLP c1cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]cc2[nH]1 ZINC001170330971 1046002965 /nfs/dbraw/zinc/00/29/65/1046002965.db2.gz KVQWCAJWTLWANA-LDLYASANSA-N 2 2 332.451 4.170 20 0 EIADLP c1cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]cc2[nH]1 ZINC001170330971 1046002978 /nfs/dbraw/zinc/00/29/78/1046002978.db2.gz KVQWCAJWTLWANA-LDLYASANSA-N 2 2 332.451 4.170 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769544093 1046012397 /nfs/dbraw/zinc/01/23/97/1046012397.db2.gz SWCWNJNHIATXQK-INIZCTEOSA-N 2 2 331.504 4.029 20 0 EIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000037150378 1046012508 /nfs/dbraw/zinc/01/25/08/1046012508.db2.gz ATCKDADYTJWIBQ-AWEZNQCLSA-N 2 2 339.321 4.364 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769544093 1046012381 /nfs/dbraw/zinc/01/23/81/1046012381.db2.gz SWCWNJNHIATXQK-INIZCTEOSA-N 2 2 331.504 4.029 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000769874932 1046102753 /nfs/dbraw/zinc/10/27/53/1046102753.db2.gz ZDBYBDCXDOQGEM-JTDSTZFVSA-N 2 2 341.499 4.249 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000769874932 1046102748 /nfs/dbraw/zinc/10/27/48/1046102748.db2.gz ZDBYBDCXDOQGEM-JTDSTZFVSA-N 2 2 341.499 4.249 20 0 EIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)c[nH+]1 ZINC000123698474 1046193922 /nfs/dbraw/zinc/19/39/22/1046193922.db2.gz PHEPYDSOVKKZQY-UHFFFAOYSA-N 2 2 329.403 4.422 20 0 EIADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000509688819 1046349384 /nfs/dbraw/zinc/34/93/84/1046349384.db2.gz OWBCVGXZJALRCN-MRXNPFEDSA-N 2 2 326.406 4.156 20 0 EIADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000509688819 1046349404 /nfs/dbraw/zinc/34/94/04/1046349404.db2.gz OWBCVGXZJALRCN-MRXNPFEDSA-N 2 2 326.406 4.156 20 0 EIADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000916835275 1046376194 /nfs/dbraw/zinc/37/61/94/1046376194.db2.gz XIENKNOZOVWZCE-KBPBESRZSA-N 2 2 346.487 4.193 20 0 EIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000421830203 1046389231 /nfs/dbraw/zinc/38/92/31/1046389231.db2.gz JQHAXORPECYJHE-KBPBESRZSA-N 2 2 333.863 4.082 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660618 1046624912 /nfs/dbraw/zinc/62/49/12/1046624912.db2.gz DUIXFDQMKJFQFW-WFASDCNBSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660618 1046624929 /nfs/dbraw/zinc/62/49/29/1046624929.db2.gz DUIXFDQMKJFQFW-WFASDCNBSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660618 1046624947 /nfs/dbraw/zinc/62/49/47/1046624947.db2.gz DUIXFDQMKJFQFW-WFASDCNBSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@@H]1C ZINC000536660618 1046624951 /nfs/dbraw/zinc/62/49/51/1046624951.db2.gz DUIXFDQMKJFQFW-WFASDCNBSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662080 1046632481 /nfs/dbraw/zinc/63/24/81/1046632481.db2.gz NSCXMZUIAFZNCO-DOTOQJQBSA-N 2 2 340.458 4.209 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662080 1046632488 /nfs/dbraw/zinc/63/24/88/1046632488.db2.gz NSCXMZUIAFZNCO-DOTOQJQBSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662080 1046632498 /nfs/dbraw/zinc/63/24/98/1046632498.db2.gz NSCXMZUIAFZNCO-DOTOQJQBSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@@H]1C ZINC000536662080 1046632506 /nfs/dbraw/zinc/63/25/06/1046632506.db2.gz NSCXMZUIAFZNCO-DOTOQJQBSA-N 2 2 340.458 4.209 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000536661960 1046632672 /nfs/dbraw/zinc/63/26/72/1046632672.db2.gz JKENQNLPXJFYDB-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000536661960 1046632677 /nfs/dbraw/zinc/63/26/77/1046632677.db2.gz JKENQNLPXJFYDB-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000536661960 1046632686 /nfs/dbraw/zinc/63/26/86/1046632686.db2.gz JKENQNLPXJFYDB-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000536661960 1046632703 /nfs/dbraw/zinc/63/27/03/1046632703.db2.gz JKENQNLPXJFYDB-LAUBAEHRSA-N 2 2 338.495 4.277 20 0 EIADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459439448 1046683590 /nfs/dbraw/zinc/68/35/90/1046683590.db2.gz TWPSSQMUPLLNQH-QFIPXVFZSA-N 2 2 338.470 4.326 20 0 EIADLP CC(C)CCC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001170060987 1046854531 /nfs/dbraw/zinc/85/45/31/1046854531.db2.gz FQIHOQIBRQONQD-OAHLLOKOSA-N 2 2 343.606 4.242 20 0 EIADLP Fc1ccc(C2([NH2+]C3CC[NH+](C4CCCC4)CC3)CCC2)c(F)c1 ZINC000537445964 1047228618 /nfs/dbraw/zinc/22/86/18/1047228618.db2.gz RHDOZJZUOCBNCM-UHFFFAOYSA-N 2 2 334.454 4.341 20 0 EIADLP C[N@H+](CCCn1cc[nH+]c1)CCOC(c1ccccc1)c1ccccc1 ZINC000130370315 1047703944 /nfs/dbraw/zinc/70/39/44/1047703944.db2.gz PHEHNNULWHQGLW-UHFFFAOYSA-N 2 2 349.478 4.011 20 0 EIADLP C[N@@H+](CCCn1cc[nH+]c1)CCOC(c1ccccc1)c1ccccc1 ZINC000130370315 1047703945 /nfs/dbraw/zinc/70/39/45/1047703945.db2.gz PHEHNNULWHQGLW-UHFFFAOYSA-N 2 2 349.478 4.011 20 0 EIADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000814290490 1047940646 /nfs/dbraw/zinc/94/06/46/1047940646.db2.gz IEKHBNZVLJTYFD-AQTBWJFISA-N 2 2 347.462 4.212 20 0 EIADLP C[NH+](C)CC1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825033137 1048021930 /nfs/dbraw/zinc/02/19/30/1048021930.db2.gz IERATDXUQFARJL-JRGCBEDISA-N 2 2 327.516 4.065 20 0 EIADLP COc1ccccc1C[C@@H](C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000499047335 1048098194 /nfs/dbraw/zinc/09/81/94/1048098194.db2.gz CIPUTNAIMQJWMI-LJQANCHMSA-N 2 2 349.478 4.025 20 0 EIADLP COc1ccccc1C[C@@H](C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000499047335 1048098209 /nfs/dbraw/zinc/09/82/09/1048098209.db2.gz CIPUTNAIMQJWMI-LJQANCHMSA-N 2 2 349.478 4.025 20 0 EIADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143646287 1048134607 /nfs/dbraw/zinc/13/46/07/1048134607.db2.gz MEOSVJWIPNOGKC-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143646287 1048134611 /nfs/dbraw/zinc/13/46/11/1048134611.db2.gz MEOSVJWIPNOGKC-UHFFFAOYSA-N 2 2 344.421 4.019 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)[nH+]1 ZINC000132129492 1048210613 /nfs/dbraw/zinc/21/06/13/1048210613.db2.gz YRBNBCCOHHEMMG-QFIPXVFZSA-N 2 2 345.490 4.085 20 0 EIADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000132150944 1048213932 /nfs/dbraw/zinc/21/39/32/1048213932.db2.gz OXMVRIXLKIUJIJ-LJQANCHMSA-N 2 2 333.479 4.442 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000132151926 1048214789 /nfs/dbraw/zinc/21/47/89/1048214789.db2.gz POGASMOHYMRSGP-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809607828 1048416077 /nfs/dbraw/zinc/41/60/77/1048416077.db2.gz CIGJCYHADRVDMF-UYJHFMRCSA-N 2 2 333.426 4.112 20 0 EIADLP Cc1cc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC001170585810 1048487613 /nfs/dbraw/zinc/48/76/13/1048487613.db2.gz OARFOJAHKRFBKL-HNNXBMFYSA-N 2 2 339.270 4.115 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576097 1048516985 /nfs/dbraw/zinc/51/69/85/1048516985.db2.gz JIEIFKOYYBCREI-GVDBMIGSSA-N 2 2 348.556 4.091 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576097 1048516998 /nfs/dbraw/zinc/51/69/98/1048516998.db2.gz JIEIFKOYYBCREI-GVDBMIGSSA-N 2 2 348.556 4.091 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)cc1 ZINC000815584263 1048522769 /nfs/dbraw/zinc/52/27/69/1048522769.db2.gz ZHKOAUPFXPKDOK-OAQYLSRUSA-N 2 2 341.543 4.424 20 0 EIADLP C[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000809968791 1048576503 /nfs/dbraw/zinc/57/65/03/1048576503.db2.gz HXYDTYRUJOBJFI-OAHLLOKOSA-N 2 2 329.875 4.415 20 0 EIADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(F)c(-n4cc[nH+]c4)c3)c2c1 ZINC001171167309 1048613056 /nfs/dbraw/zinc/61/30/56/1048613056.db2.gz ILRTVKSBTQAAKV-HNNXBMFYSA-N 2 2 348.425 4.153 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000076000868 1048834177 /nfs/dbraw/zinc/83/41/77/1048834177.db2.gz XPPIQCCUVHFTCX-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000076000868 1048834181 /nfs/dbraw/zinc/83/41/81/1048834181.db2.gz XPPIQCCUVHFTCX-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482642 1049007188 /nfs/dbraw/zinc/00/71/88/1049007188.db2.gz RIAMEXJHCCMSBR-CVEARBPZSA-N 2 2 333.435 4.047 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cscc1C(F)(F)F ZINC000811475365 1049095940 /nfs/dbraw/zinc/09/59/40/1049095940.db2.gz KGFSWCANCQXBFK-CYBMUJFWSA-N 2 2 331.407 4.168 20 0 EIADLP Clc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001170916598 1049211747 /nfs/dbraw/zinc/21/17/47/1049211747.db2.gz OMNXBAXCBLZYPT-GOSISDBHSA-N 2 2 332.919 4.148 20 0 EIADLP Cc1c[nH+]cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1C ZINC001170646187 1049300336 /nfs/dbraw/zinc/30/03/36/1049300336.db2.gz OCBCJKGYTRMZDJ-NSKBAKJYSA-N 2 2 335.495 4.331 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccoc1 ZINC000820806406 1049550633 /nfs/dbraw/zinc/55/06/33/1049550633.db2.gz HTFNCDJLOOBUKC-HXUWFJFHSA-N 2 2 344.886 4.433 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821403107 1049631612 /nfs/dbraw/zinc/63/16/12/1049631612.db2.gz YXUXMFBYWIAXEJ-SJLPKXTDSA-N 2 2 325.456 4.015 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000037156128 1049663112 /nfs/dbraw/zinc/66/31/12/1049663112.db2.gz RICUFHPUUGICGW-CQSZACIVSA-N 2 2 326.271 4.394 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1(C)C ZINC001171630098 1049762523 /nfs/dbraw/zinc/76/25/23/1049762523.db2.gz IYDYDBXHPANUMR-UHFFFAOYSA-N 2 2 345.462 4.222 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(Cl)c(F)cc2F)CC1(C)C ZINC001171623424 1049767782 /nfs/dbraw/zinc/76/77/82/1049767782.db2.gz YFQHRSJZONCYDO-UHFFFAOYSA-N 2 2 330.850 4.359 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004789 1049820646 /nfs/dbraw/zinc/82/06/46/1049820646.db2.gz JGLWTSJJYUFQCA-LJQANCHMSA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004789 1049820650 /nfs/dbraw/zinc/82/06/50/1049820650.db2.gz JGLWTSJJYUFQCA-LJQANCHMSA-N 2 2 335.426 4.001 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973117 1049835937 /nfs/dbraw/zinc/83/59/37/1049835937.db2.gz VYQCELAQSFMADV-VQIMIIECSA-N 2 2 341.474 4.315 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973117 1049835939 /nfs/dbraw/zinc/83/59/39/1049835939.db2.gz VYQCELAQSFMADV-VQIMIIECSA-N 2 2 341.474 4.315 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4cnccc4C2)C3)cc1 ZINC001172076736 1049844193 /nfs/dbraw/zinc/84/41/93/1049844193.db2.gz HIAASQSAJQAMTM-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCc4cnccc4C2)C3)cc1 ZINC001172076736 1049844198 /nfs/dbraw/zinc/84/41/98/1049844198.db2.gz HIAASQSAJQAMTM-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCc4cnccc4C2)C3)cc1 ZINC001172076736 1049844201 /nfs/dbraw/zinc/84/42/01/1049844201.db2.gz HIAASQSAJQAMTM-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCc4cnccc4C2)C3)cc1 ZINC001172076736 1049844206 /nfs/dbraw/zinc/84/42/06/1049844206.db2.gz HIAASQSAJQAMTM-JKHIJQBDSA-N 2 2 347.506 4.025 20 0 EIADLP CC[N@H+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172082773 1049848092 /nfs/dbraw/zinc/84/80/92/1049848092.db2.gz LTHOYXXGFUYFJQ-NUNAXRQHSA-N 2 2 349.522 4.489 20 0 EIADLP CC[N@@H+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172082773 1049848094 /nfs/dbraw/zinc/84/80/94/1049848094.db2.gz LTHOYXXGFUYFJQ-NUNAXRQHSA-N 2 2 349.522 4.489 20 0 EIADLP CC[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172082773 1049848096 /nfs/dbraw/zinc/84/80/96/1049848096.db2.gz LTHOYXXGFUYFJQ-NUNAXRQHSA-N 2 2 349.522 4.489 20 0 EIADLP CC[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172082773 1049848099 /nfs/dbraw/zinc/84/80/99/1049848099.db2.gz LTHOYXXGFUYFJQ-NUNAXRQHSA-N 2 2 349.522 4.489 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CSc2ccccc2C1 ZINC001172210566 1049866007 /nfs/dbraw/zinc/86/60/07/1049866007.db2.gz YGRYNBNHOWDOLA-LJQANCHMSA-N 2 2 335.476 4.021 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CSc2ccccc2C1 ZINC001172210566 1049866011 /nfs/dbraw/zinc/86/60/11/1049866011.db2.gz YGRYNBNHOWDOLA-LJQANCHMSA-N 2 2 335.476 4.021 20 0 EIADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001172256472 1049872354 /nfs/dbraw/zinc/87/23/54/1049872354.db2.gz YCXHMAHYSVLTBM-OAHLLOKOSA-N 2 2 342.936 4.039 20 0 EIADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001172256472 1049872355 /nfs/dbraw/zinc/87/23/55/1049872355.db2.gz YCXHMAHYSVLTBM-OAHLLOKOSA-N 2 2 342.936 4.039 20 0 EIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001136818604 1049895647 /nfs/dbraw/zinc/89/56/47/1049895647.db2.gz DOAHRFDHXZGUSA-CYBMUJFWSA-N 2 2 346.390 4.064 20 0 EIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001136818605 1049895937 /nfs/dbraw/zinc/89/59/37/1049895937.db2.gz DOAHRFDHXZGUSA-ZDUSSCGKSA-N 2 2 346.390 4.064 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172567071 1049936342 /nfs/dbraw/zinc/93/63/42/1049936342.db2.gz CEGBHKAEBOFYJI-JSGCOSHPSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172567071 1049936345 /nfs/dbraw/zinc/93/63/45/1049936345.db2.gz CEGBHKAEBOFYJI-JSGCOSHPSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172567072 1049936657 /nfs/dbraw/zinc/93/66/57/1049936657.db2.gz CEGBHKAEBOFYJI-OCCSQVGLSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172567072 1049936660 /nfs/dbraw/zinc/93/66/60/1049936660.db2.gz CEGBHKAEBOFYJI-OCCSQVGLSA-N 2 2 330.850 4.013 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172573325 1049941158 /nfs/dbraw/zinc/94/11/58/1049941158.db2.gz OXFLOMHXQPHCDS-OCCSQVGLSA-N 2 2 342.861 4.156 20 0 EIADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172573325 1049941165 /nfs/dbraw/zinc/94/11/65/1049941165.db2.gz OXFLOMHXQPHCDS-OCCSQVGLSA-N 2 2 342.861 4.156 20 0 EIADLP c1ccc(C[NH+]2CC(C[NH2+][C@@H]3CCC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001172538939 1049943686 /nfs/dbraw/zinc/94/36/86/1049943686.db2.gz XGMIWRQOJBJHTK-DHIUTWEWSA-N 2 2 334.507 4.434 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246286881 1049945716 /nfs/dbraw/zinc/94/57/16/1049945716.db2.gz BXIWDOYPOIHABW-CVEARBPZSA-N 2 2 335.561 4.041 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246286881 1049945723 /nfs/dbraw/zinc/94/57/23/1049945723.db2.gz BXIWDOYPOIHABW-CVEARBPZSA-N 2 2 335.561 4.041 20 0 EIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246547244 1049984956 /nfs/dbraw/zinc/98/49/56/1049984956.db2.gz WHFRBBYBBHCZOH-IKVWTGGYSA-N 2 2 329.532 4.411 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248134568 1050043809 /nfs/dbraw/zinc/04/38/09/1050043809.db2.gz OWYINIUGASQWER-XKGZKEIXSA-N 2 2 341.499 4.364 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000089513056 1050120293 /nfs/dbraw/zinc/12/02/93/1050120293.db2.gz APMANWWFAYCQSI-CYBMUJFWSA-N 2 2 344.421 4.499 20 0 EIADLP Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc2cccnc12 ZINC001177217327 1050166884 /nfs/dbraw/zinc/16/68/84/1050166884.db2.gz MZELLYKBVAJTKU-UHFFFAOYSA-N 2 2 342.446 4.078 20 0 EIADLP c1ccc(N2CCCCC2)c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001203149877 1050173332 /nfs/dbraw/zinc/17/33/32/1050173332.db2.gz VNRAYMRSIFXIEU-OAQYLSRUSA-N 2 2 341.543 4.174 20 0 EIADLP c1ccc(N2CCCCC2)c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001203149877 1050173345 /nfs/dbraw/zinc/17/33/45/1050173345.db2.gz VNRAYMRSIFXIEU-OAQYLSRUSA-N 2 2 341.543 4.174 20 0 EIADLP Clc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000144753592 1050191433 /nfs/dbraw/zinc/19/14/33/1050191433.db2.gz AXLPMYWMEXUKLH-IBGZPJMESA-N 2 2 325.843 4.306 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000251787808 1050215863 /nfs/dbraw/zinc/21/58/63/1050215863.db2.gz VBBVXXFOJBCGQL-TUAOUCFPSA-N 2 2 331.262 4.410 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000251787808 1050215873 /nfs/dbraw/zinc/21/58/73/1050215873.db2.gz VBBVXXFOJBCGQL-TUAOUCFPSA-N 2 2 331.262 4.410 20 0 EIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC001177607826 1050265361 /nfs/dbraw/zinc/26/53/61/1050265361.db2.gz CAVBGHUNOTWUGM-UHFFFAOYSA-N 2 2 339.483 4.149 20 0 EIADLP CCc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(CC)[nH+]1 ZINC001186381221 1050314961 /nfs/dbraw/zinc/31/49/61/1050314961.db2.gz RZPMNXYSOICBFP-FOIQADDNSA-N 2 2 326.488 4.013 20 0 EIADLP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001178873632 1050576193 /nfs/dbraw/zinc/57/61/93/1050576193.db2.gz WGJXRUNVVRCQMA-GOSISDBHSA-N 2 2 349.478 4.239 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644796 1050647569 /nfs/dbraw/zinc/64/75/69/1050647569.db2.gz VBJPEIZXLYLVNT-AAEUAGOBSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644796 1050647573 /nfs/dbraw/zinc/64/75/73/1050647573.db2.gz VBJPEIZXLYLVNT-AAEUAGOBSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644796 1050647577 /nfs/dbraw/zinc/64/75/77/1050647577.db2.gz VBJPEIZXLYLVNT-AAEUAGOBSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644796 1050647581 /nfs/dbraw/zinc/64/75/81/1050647581.db2.gz VBJPEIZXLYLVNT-AAEUAGOBSA-N 2 2 334.813 4.273 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093693320 1050663155 /nfs/dbraw/zinc/66/31/55/1050663155.db2.gz MDFPGOUTGZVAPQ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093693320 1050663162 /nfs/dbraw/zinc/66/31/62/1050663162.db2.gz MDFPGOUTGZVAPQ-AWEZNQCLSA-N 2 2 335.542 4.035 20 0 EIADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438572 1050693255 /nfs/dbraw/zinc/69/32/55/1050693255.db2.gz XAKFRSDNCXGUGV-SIKLNZKXSA-N 2 2 333.479 4.483 20 0 EIADLP Cc1cccnc1[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785137 1050778170 /nfs/dbraw/zinc/77/81/70/1050778170.db2.gz WLAKDQRAUJMXPW-QUCCMNQESA-N 2 2 335.495 4.238 20 0 EIADLP Cc1cccnc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001179785137 1050778185 /nfs/dbraw/zinc/77/81/85/1050778185.db2.gz WLAKDQRAUJMXPW-QUCCMNQESA-N 2 2 335.495 4.238 20 0 EIADLP Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1[NH+](C)C ZINC000182852214 1050857564 /nfs/dbraw/zinc/85/75/64/1050857564.db2.gz JBPJEYCTEJXJBT-UHFFFAOYSA-N 2 2 348.494 4.009 20 0 EIADLP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180950365 1051118769 /nfs/dbraw/zinc/11/87/69/1051118769.db2.gz ANTPWMGRNDJECS-CQSZACIVSA-N 2 2 328.422 4.100 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775369048 1051133182 /nfs/dbraw/zinc/13/31/82/1051133182.db2.gz IFJGQPUFEVIZIA-WBMJQRKESA-N 2 2 337.439 4.254 20 0 EIADLP C([C@H]1CCC2(CCCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190364461 1051152598 /nfs/dbraw/zinc/15/25/98/1051152598.db2.gz AQQIHZBHBLDVTN-HXUWFJFHSA-N 2 2 334.548 4.209 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC001191221207 1051398547 /nfs/dbraw/zinc/39/85/47/1051398547.db2.gz BZXDSXNJDPFYGM-XMSQKQJNSA-N 2 2 331.463 4.498 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC001191221207 1051398553 /nfs/dbraw/zinc/39/85/53/1051398553.db2.gz BZXDSXNJDPFYGM-XMSQKQJNSA-N 2 2 331.463 4.498 20 0 EIADLP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001192334253 1051691967 /nfs/dbraw/zinc/69/19/67/1051691967.db2.gz GKCQQYDYDSECCJ-WMZHIEFXSA-N 2 2 345.490 4.352 20 0 EIADLP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC001192334253 1051691972 /nfs/dbraw/zinc/69/19/72/1051691972.db2.gz GKCQQYDYDSECCJ-WMZHIEFXSA-N 2 2 345.490 4.352 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182844131 1051713563 /nfs/dbraw/zinc/71/35/63/1051713563.db2.gz JMFMKUVDJJWAIA-CZUORRHYSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182844131 1051713572 /nfs/dbraw/zinc/71/35/72/1051713572.db2.gz JMFMKUVDJJWAIA-CZUORRHYSA-N 2 2 328.422 4.099 20 0 EIADLP CO[C@@H](C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291596 1051820184 /nfs/dbraw/zinc/82/01/84/1051820184.db2.gz KOOQVKLMQJNYKR-YADHBBJMSA-N 2 2 344.543 4.226 20 0 EIADLP CO[C@@H](C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291596 1051820189 /nfs/dbraw/zinc/82/01/89/1051820189.db2.gz KOOQVKLMQJNYKR-YADHBBJMSA-N 2 2 344.543 4.226 20 0 EIADLP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000621342801 1051836032 /nfs/dbraw/zinc/83/60/32/1051836032.db2.gz KKPNJSYRLAORFP-INIZCTEOSA-N 2 2 343.540 4.411 20 0 EIADLP Clc1cscc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001183885376 1051915088 /nfs/dbraw/zinc/91/50/88/1051915088.db2.gz IXGJGAKQUZIDOE-SJORKVTESA-N 2 2 346.927 4.355 20 0 EIADLP Clc1cscc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001183885376 1051915097 /nfs/dbraw/zinc/91/50/97/1051915097.db2.gz IXGJGAKQUZIDOE-SJORKVTESA-N 2 2 346.927 4.355 20 0 EIADLP Clc1cscc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001183885376 1051915104 /nfs/dbraw/zinc/91/51/04/1051915104.db2.gz IXGJGAKQUZIDOE-SJORKVTESA-N 2 2 346.927 4.355 20 0 EIADLP Clc1cscc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001183885376 1051915113 /nfs/dbraw/zinc/91/51/13/1051915113.db2.gz IXGJGAKQUZIDOE-SJORKVTESA-N 2 2 346.927 4.355 20 0 EIADLP CCc1cccc(Cl)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183863651 1051917928 /nfs/dbraw/zinc/91/79/28/1051917928.db2.gz FVHCYXYYYBEODN-UHFFFAOYSA-N 2 2 329.875 4.374 20 0 EIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(F)c1 ZINC001184375557 1052000064 /nfs/dbraw/zinc/00/00/64/1052000064.db2.gz UYDDOSOCBGJFKA-INIZCTEOSA-N 2 2 345.462 4.165 20 0 EIADLP COc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(F)c1 ZINC001184375557 1052000072 /nfs/dbraw/zinc/00/00/72/1052000072.db2.gz UYDDOSOCBGJFKA-INIZCTEOSA-N 2 2 345.462 4.165 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cc1 ZINC000671189802 1052202707 /nfs/dbraw/zinc/20/27/07/1052202707.db2.gz PSQZJROSGMWXOL-UHFFFAOYSA-N 2 2 325.843 4.383 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001176991944 1052213561 /nfs/dbraw/zinc/21/35/61/1052213561.db2.gz VVSPWTNNEKFJRE-SJORKVTESA-N 2 2 333.520 4.165 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001176991944 1052213566 /nfs/dbraw/zinc/21/35/66/1052213566.db2.gz VVSPWTNNEKFJRE-SJORKVTESA-N 2 2 333.520 4.165 20 0 EIADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977095 1052213879 /nfs/dbraw/zinc/21/38/79/1052213879.db2.gz IGNANYIZZUHGPW-ZDUSSCGKSA-N 2 2 348.288 4.123 20 0 EIADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000337808668 1052540079 /nfs/dbraw/zinc/54/00/79/1052540079.db2.gz LJNVNHATXNHDIV-IBGZPJMESA-N 2 2 343.540 4.150 20 0 EIADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000337808668 1052540087 /nfs/dbraw/zinc/54/00/87/1052540087.db2.gz LJNVNHATXNHDIV-IBGZPJMESA-N 2 2 343.540 4.150 20 0 EIADLP C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650953 1052572847 /nfs/dbraw/zinc/57/28/47/1052572847.db2.gz PWEBRPGWSBLBEC-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177936315 1052695374 /nfs/dbraw/zinc/69/53/74/1052695374.db2.gz AGPQKILWSNEVHB-FQEVSTJZSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000178115355 1052700210 /nfs/dbraw/zinc/70/02/10/1052700210.db2.gz XUHMXRLUOFNMBL-POAQFYNOSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000178115355 1052700215 /nfs/dbraw/zinc/70/02/15/1052700215.db2.gz XUHMXRLUOFNMBL-POAQFYNOSA-N 2 2 342.458 4.018 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000178606557 1052710217 /nfs/dbraw/zinc/71/02/17/1052710217.db2.gz BVCFPAQWUIFOCA-KUHUBIRLSA-N 2 2 330.422 4.127 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000178606557 1052710224 /nfs/dbraw/zinc/71/02/24/1052710224.db2.gz BVCFPAQWUIFOCA-KUHUBIRLSA-N 2 2 330.422 4.127 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccccc1)N(C)C ZINC000349408199 1052716493 /nfs/dbraw/zinc/71/64/93/1052716493.db2.gz JILLEMYSLXMJEC-NJNPRVFISA-N 2 2 348.494 4.214 20 0 EIADLP CC(C)(C)c1coc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000921507226 1052783091 /nfs/dbraw/zinc/78/30/91/1052783091.db2.gz RQUZMFCHMKBDRV-UHFFFAOYSA-N 2 2 341.499 4.248 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000180423953 1052800412 /nfs/dbraw/zinc/80/04/12/1052800412.db2.gz FUXRTBZFAITBMS-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Br)c2)CC[N@H+]1C ZINC000180423953 1052800419 /nfs/dbraw/zinc/80/04/19/1052800419.db2.gz FUXRTBZFAITBMS-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423953 1052800424 /nfs/dbraw/zinc/80/04/24/1052800424.db2.gz FUXRTBZFAITBMS-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC[NH+]1C ZINC000180423953 1052800431 /nfs/dbraw/zinc/80/04/31/1052800431.db2.gz FUXRTBZFAITBMS-WCQYABFASA-N 2 2 345.712 4.017 20 0 EIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000180401635 1052798903 /nfs/dbraw/zinc/79/89/03/1052798903.db2.gz MJTUYZBRNVTLOZ-CQSZACIVSA-N 2 2 326.431 4.120 20 0 EIADLP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000623854885 1052826615 /nfs/dbraw/zinc/82/66/15/1052826615.db2.gz LQQJRTXEGONCCI-GOSISDBHSA-N 2 2 341.524 4.296 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000623870315 1052830651 /nfs/dbraw/zinc/83/06/51/1052830651.db2.gz WFGZPUWUYFYCJV-RBUKOAKNSA-N 2 2 347.503 4.496 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623956749 1052841754 /nfs/dbraw/zinc/84/17/54/1052841754.db2.gz OYYXIACJYZIZLE-CGTJXYLNSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623956749 1052841757 /nfs/dbraw/zinc/84/17/57/1052841757.db2.gz OYYXIACJYZIZLE-CGTJXYLNSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623956752 1052842224 /nfs/dbraw/zinc/84/22/24/1052842224.db2.gz OYYXIACJYZIZLE-SZMVWBNQSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623956752 1052842229 /nfs/dbraw/zinc/84/22/29/1052842229.db2.gz OYYXIACJYZIZLE-SZMVWBNQSA-N 2 2 341.524 4.021 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623987263 1052845252 /nfs/dbraw/zinc/84/52/52/1052845252.db2.gz UKYLLEDQWFZAFQ-IEBWSBKVSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623987263 1052845253 /nfs/dbraw/zinc/84/52/53/1052845253.db2.gz UKYLLEDQWFZAFQ-IEBWSBKVSA-N 2 2 343.540 4.404 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068445 1052861458 /nfs/dbraw/zinc/86/14/58/1052861458.db2.gz WHNZLLUVGVNTAY-GUGJDKNPSA-N 2 2 349.522 4.074 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000624068445 1052861460 /nfs/dbraw/zinc/86/14/60/1052861460.db2.gz WHNZLLUVGVNTAY-GUGJDKNPSA-N 2 2 349.522 4.074 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000359116199 1052928129 /nfs/dbraw/zinc/92/81/29/1052928129.db2.gz POWJXMPLTRDQQF-SLYNCCJLSA-N 2 2 336.479 4.153 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000359116199 1052928131 /nfs/dbraw/zinc/92/81/31/1052928131.db2.gz POWJXMPLTRDQQF-SLYNCCJLSA-N 2 2 336.479 4.153 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1F ZINC000183219580 1052966824 /nfs/dbraw/zinc/96/68/24/1052966824.db2.gz YFGXKEOIBSLVOR-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP C[NH+](C)Cc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)ccc1F ZINC000183607157 1052979602 /nfs/dbraw/zinc/97/96/02/1052979602.db2.gz IPJVUHIGXURRAN-NRFANRHFSA-N 2 2 338.426 4.360 20 0 EIADLP CC(C)CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000764505133 1053136994 /nfs/dbraw/zinc/13/69/94/1053136994.db2.gz VRWPRYPQUVVHFQ-FPOVZHCZSA-N 2 2 331.548 4.488 20 0 EIADLP CC(C)CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000764505133 1053137029 /nfs/dbraw/zinc/13/70/29/1053137029.db2.gz VRWPRYPQUVVHFQ-FPOVZHCZSA-N 2 2 331.548 4.488 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850427459 1053203955 /nfs/dbraw/zinc/20/39/55/1053203955.db2.gz UETDXTOOAPMDED-MRXNPFEDSA-N 2 2 333.435 4.048 20 0 EIADLP Clc1cnccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000383811173 1053395616 /nfs/dbraw/zinc/39/56/16/1053395616.db2.gz VLVHWJMETYWFML-SFHVURJKSA-N 2 2 343.902 4.127 20 0 EIADLP Clc1cnccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000383811173 1053395632 /nfs/dbraw/zinc/39/56/32/1053395632.db2.gz VLVHWJMETYWFML-SFHVURJKSA-N 2 2 343.902 4.127 20 0 EIADLP C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765262547 1053481377 /nfs/dbraw/zinc/48/13/77/1053481377.db2.gz RAAPXGHTZDDRPL-INIZCTEOSA-N 2 2 343.540 4.004 20 0 EIADLP CC(C)(C)c1csc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000865407275 1053494680 /nfs/dbraw/zinc/49/46/80/1053494680.db2.gz BWSQBXRYGMZUCT-UHFFFAOYSA-N 2 2 343.540 4.326 20 0 EIADLP Cc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000865509882 1053530911 /nfs/dbraw/zinc/53/09/11/1053530911.db2.gz UWSRXXLRJCQNQP-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1-c1ccccc1 ZINC000765678252 1053838087 /nfs/dbraw/zinc/83/80/87/1053838087.db2.gz UIPQETLOCGESHI-QGZVFWFLSA-N 2 2 349.482 4.119 20 0 EIADLP COC1(C[C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC1 ZINC000429523515 1053955300 /nfs/dbraw/zinc/95/53/00/1053955300.db2.gz WOIJKCRPOGOZEK-AZUAARDMSA-N 2 2 330.516 4.069 20 0 EIADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780726 1054111340 /nfs/dbraw/zinc/11/13/40/1054111340.db2.gz LDRWCOFVVYXTEE-NEPJUHHUSA-N 2 2 349.828 4.279 20 0 EIADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780726 1054111342 /nfs/dbraw/zinc/11/13/42/1054111342.db2.gz LDRWCOFVVYXTEE-NEPJUHHUSA-N 2 2 349.828 4.279 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001198790612 1054253788 /nfs/dbraw/zinc/25/37/88/1054253788.db2.gz JKAPRHPLEBJLKM-LVQVYYBASA-N 2 2 337.458 4.109 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001198790612 1054253808 /nfs/dbraw/zinc/25/38/08/1054253808.db2.gz JKAPRHPLEBJLKM-LVQVYYBASA-N 2 2 337.458 4.109 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC001198767454 1054259542 /nfs/dbraw/zinc/25/95/42/1054259542.db2.gz CEWYFEJXIWSCSD-UHFFFAOYSA-N 2 2 333.479 4.386 20 0 EIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C[C@H](C)O1 ZINC001199085563 1054340633 /nfs/dbraw/zinc/34/06/33/1054340633.db2.gz LVIGDMOMMZFNAY-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C[C@H](C)O1 ZINC001199085563 1054340651 /nfs/dbraw/zinc/34/06/51/1054340651.db2.gz LVIGDMOMMZFNAY-CALCHBBNSA-N 2 2 344.524 4.004 20 0 EIADLP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000872051050 1054361389 /nfs/dbraw/zinc/36/13/89/1054361389.db2.gz FEQXIUBBIRKKLB-GOEBONIOSA-N 2 2 343.437 4.318 20 0 EIADLP Clc1ccc2c(n1)[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000857904213 1054381733 /nfs/dbraw/zinc/38/17/33/1054381733.db2.gz XRPCYWBNDDVAPI-SFHVURJKSA-N 2 2 347.934 4.357 20 0 EIADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001199392526 1054396932 /nfs/dbraw/zinc/39/69/32/1054396932.db2.gz UKOWDNDZNUYVBT-DENIHFKCSA-N 2 2 344.543 4.213 20 0 EIADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001199608508 1054432186 /nfs/dbraw/zinc/43/21/86/1054432186.db2.gz IZSDLKYXDFRIAK-KRWDZBQOSA-N 2 2 335.879 4.140 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC34CCCCC4)CC2)cc1 ZINC000858191319 1054435835 /nfs/dbraw/zinc/43/58/35/1054435835.db2.gz QZFVKHQKJBQQKS-FQEVSTJZSA-N 2 2 327.516 4.034 20 0 EIADLP CC(C)[C@H]1CCCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580605 1054478238 /nfs/dbraw/zinc/47/82/38/1054478238.db2.gz PTRSZVVXDXCEQL-FGZHOGPDSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580605 1054478248 /nfs/dbraw/zinc/47/82/48/1054478248.db2.gz PTRSZVVXDXCEQL-FGZHOGPDSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001168580605 1054478253 /nfs/dbraw/zinc/47/82/53/1054478253.db2.gz PTRSZVVXDXCEQL-FGZHOGPDSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@H]1CCCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001168580605 1054478262 /nfs/dbraw/zinc/47/82/62/1054478262.db2.gz PTRSZVVXDXCEQL-FGZHOGPDSA-N 2 2 344.543 4.178 20 0 EIADLP Cc1ccc(-c2cnc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)o2)cc1 ZINC000859213917 1054643931 /nfs/dbraw/zinc/64/39/31/1054643931.db2.gz BUWMKQLUXXYDQS-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP Cc1ccc(-c2cnc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)o2)cc1 ZINC000859213917 1054643945 /nfs/dbraw/zinc/64/39/45/1054643945.db2.gz BUWMKQLUXXYDQS-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000876949134 1054989421 /nfs/dbraw/zinc/98/94/21/1054989421.db2.gz ZHVVKFHZDGWAMB-IEBWSBKVSA-N 2 2 341.886 4.193 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000876949134 1054989435 /nfs/dbraw/zinc/98/94/35/1054989435.db2.gz ZHVVKFHZDGWAMB-IEBWSBKVSA-N 2 2 341.886 4.193 20 0 EIADLP CC(C)(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000126492506 1055046910 /nfs/dbraw/zinc/04/69/10/1055046910.db2.gz CITFULODDVCDGZ-UHFFFAOYSA-N 2 2 329.513 4.199 20 0 EIADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202349224 1055135575 /nfs/dbraw/zinc/13/55/75/1055135575.db2.gz ZJRQILLTPNQZDL-ULQDDVLXSA-N 2 2 326.406 4.049 20 0 EIADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]21 ZINC001202349224 1055135582 /nfs/dbraw/zinc/13/55/82/1055135582.db2.gz ZJRQILLTPNQZDL-ULQDDVLXSA-N 2 2 326.406 4.049 20 0 EIADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202349224 1055135587 /nfs/dbraw/zinc/13/55/87/1055135587.db2.gz ZJRQILLTPNQZDL-ULQDDVLXSA-N 2 2 326.406 4.049 20 0 EIADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202349224 1055135593 /nfs/dbraw/zinc/13/55/93/1055135593.db2.gz ZJRQILLTPNQZDL-ULQDDVLXSA-N 2 2 326.406 4.049 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC000347636628 1055748537 /nfs/dbraw/zinc/74/85/37/1055748537.db2.gz JOILNHYJCOMLAY-HNNXBMFYSA-N 2 2 349.931 4.065 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC000347636628 1055748551 /nfs/dbraw/zinc/74/85/51/1055748551.db2.gz JOILNHYJCOMLAY-HNNXBMFYSA-N 2 2 349.931 4.065 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC(C(F)(F)F)CC1 ZINC000474469309 1055876745 /nfs/dbraw/zinc/87/67/45/1055876745.db2.gz LUINHWLNMWYVGG-NFOMZHRRSA-N 2 2 343.437 4.109 20 0 EIADLP CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765851304 1055917772 /nfs/dbraw/zinc/91/77/72/1055917772.db2.gz YKEPWPJVVGVISL-KRWDZBQOSA-N 2 2 334.467 4.179 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194979 1056239354 /nfs/dbraw/zinc/23/93/54/1056239354.db2.gz MFARGNZYEVXCSU-GIOUXUJVSA-N 2 2 332.454 4.350 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000475194979 1056239387 /nfs/dbraw/zinc/23/93/87/1056239387.db2.gz MFARGNZYEVXCSU-GIOUXUJVSA-N 2 2 332.454 4.350 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)CCC2 ZINC000354475851 1056516398 /nfs/dbraw/zinc/51/63/98/1056516398.db2.gz LJFGUNYLWYRWEE-UIDBIOKJSA-N 2 2 343.437 4.416 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323584 1059734243 /nfs/dbraw/zinc/73/42/43/1059734243.db2.gz DEEYOICLTVWKQP-CABCVRRESA-N 2 2 339.414 4.432 20 0 EIADLP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327260 1059816341 /nfs/dbraw/zinc/81/63/41/1059816341.db2.gz VUPALZZIARWJAZ-DNVCBOLYSA-N 2 2 349.434 4.055 20 0 EIADLP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327263 1059816687 /nfs/dbraw/zinc/81/66/87/1059816687.db2.gz VUPALZZIARWJAZ-HNAYVOBHSA-N 2 2 349.434 4.055 20 0 EIADLP COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001168848082 1060481749 /nfs/dbraw/zinc/48/17/49/1060481749.db2.gz JGRFAAPHLPWMAD-SFHVURJKSA-N 2 2 349.478 4.192 20 0 EIADLP COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001168848082 1060481781 /nfs/dbraw/zinc/48/17/81/1060481781.db2.gz JGRFAAPHLPWMAD-SFHVURJKSA-N 2 2 349.478 4.192 20 0 EIADLP c1ccc(NC2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)[nH+]c1 ZINC001168931142 1060547175 /nfs/dbraw/zinc/54/71/75/1060547175.db2.gz FUVHFAWGLFULCH-LJQANCHMSA-N 2 2 343.515 4.230 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001169098099 1060637814 /nfs/dbraw/zinc/63/78/14/1060637814.db2.gz FWFPKSYKAWVORW-XYYAHUGASA-N 2 2 332.797 4.074 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001169098099 1060637823 /nfs/dbraw/zinc/63/78/23/1060637823.db2.gz FWFPKSYKAWVORW-XYYAHUGASA-N 2 2 332.797 4.074 20 0 EIADLP Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cc1C(F)(F)F ZINC001169139538 1060655508 /nfs/dbraw/zinc/65/55/08/1060655508.db2.gz BJYIRPFERGNFJJ-LRDDRELGSA-N 2 2 329.410 4.364 20 0 EIADLP CC[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)CC1 ZINC001169258818 1060725225 /nfs/dbraw/zinc/72/52/25/1060725225.db2.gz UDHQAOCPQBOVQH-ZDUSSCGKSA-N 2 2 327.299 4.267 20 0 EIADLP CC[NH+]1CCC([N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)CC1 ZINC001169258818 1060725246 /nfs/dbraw/zinc/72/52/46/1060725246.db2.gz UDHQAOCPQBOVQH-ZDUSSCGKSA-N 2 2 327.299 4.267 20 0 EIADLP Cc1ccsc1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001204023393 1060752629 /nfs/dbraw/zinc/75/26/29/1060752629.db2.gz GGQBZACIHCUHRE-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP Cc1ccsc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001204023393 1060752648 /nfs/dbraw/zinc/75/26/48/1060752648.db2.gz GGQBZACIHCUHRE-UHFFFAOYSA-N 2 2 332.488 4.292 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2cc(Br)ccc2o1 ZINC000037157697 525601184 /nfs/dbraw/zinc/60/11/84/525601184.db2.gz CBXSEJPUVGGONH-NWDGAFQWSA-N 2 2 348.244 4.131 20 0 EIADLP Cc1ccc(C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000532196572 1032080590 /nfs/dbraw/zinc/08/05/90/1032080590.db2.gz BPSILAAVUODMQB-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000532203432 1032089773 /nfs/dbraw/zinc/08/97/73/1032089773.db2.gz WIBLSWYUAIABSK-SJORKVTESA-N 2 2 337.389 4.218 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226929 1032102422 /nfs/dbraw/zinc/10/24/22/1032102422.db2.gz XPHHWUOXAMHEKG-ZYHUDNBSSA-N 2 2 333.328 4.364 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226929 1032102433 /nfs/dbraw/zinc/10/24/33/1032102433.db2.gz XPHHWUOXAMHEKG-ZYHUDNBSSA-N 2 2 333.328 4.364 20 0 EIADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000532230412 1032111791 /nfs/dbraw/zinc/11/17/91/1032111791.db2.gz OMJJYMHWJZYXGM-NSHGMRRFSA-N 2 2 330.516 4.055 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532243402 1032123684 /nfs/dbraw/zinc/12/36/84/1032123684.db2.gz NCEPMMIYEXEGLK-HIFRSBDPSA-N 2 2 333.863 4.082 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(Cl)o2)c(C)c1 ZINC000532724188 1032275642 /nfs/dbraw/zinc/27/56/42/1032275642.db2.gz VZZLJZYYBBMMEH-QGZVFWFLSA-N 2 2 329.831 4.277 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000508630152 1032411608 /nfs/dbraw/zinc/41/16/08/1032411608.db2.gz MCRCZQBIPTYQQH-CYBMUJFWSA-N 2 2 338.282 4.182 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000508630152 1032411617 /nfs/dbraw/zinc/41/16/17/1032411617.db2.gz MCRCZQBIPTYQQH-CYBMUJFWSA-N 2 2 338.282 4.182 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000180122487 1032568539 /nfs/dbraw/zinc/56/85/39/1032568539.db2.gz MQXXGXRFTKJVJF-BPIHKTFHSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000180122487 1032568547 /nfs/dbraw/zinc/56/85/47/1032568547.db2.gz MQXXGXRFTKJVJF-BPIHKTFHSA-N 2 2 341.524 4.298 20 0 EIADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)co2)cc1 ZINC000579822388 1019380444 /nfs/dbraw/zinc/38/04/44/1019380444.db2.gz GUJPSQLAABAPGG-SLFFLAALSA-N 2 2 339.483 4.050 20 0 EIADLP C[NH+]1CCC(C2CC[NH+](Cc3sc(Cl)nc3Cl)CC2)CC1 ZINC001139956776 1019617154 /nfs/dbraw/zinc/61/71/54/1019617154.db2.gz DMVFTNAJVXPVKD-UHFFFAOYSA-N 2 2 348.343 4.004 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895910 1019841954 /nfs/dbraw/zinc/84/19/54/1019841954.db2.gz KEXFROIPLNLWLA-UHOSZYNNSA-N 2 2 343.540 4.403 20 0 EIADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895910 1019841959 /nfs/dbraw/zinc/84/19/59/1019841959.db2.gz KEXFROIPLNLWLA-UHOSZYNNSA-N 2 2 343.540 4.403 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000037292676 1019949328 /nfs/dbraw/zinc/94/93/28/1019949328.db2.gz IXMRPCAMFNBYFF-GVDBMIGSSA-N 2 2 337.305 4.117 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000037292676 1019949339 /nfs/dbraw/zinc/94/93/39/1019949339.db2.gz IXMRPCAMFNBYFF-GVDBMIGSSA-N 2 2 337.305 4.117 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)[C@@H](C)C2 ZINC000180092595 1020050189 /nfs/dbraw/zinc/05/01/89/1020050189.db2.gz LKJCOHUQSVTESK-HTAPYJJXSA-N 2 2 331.463 4.263 20 0 EIADLP Cc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]c2ccccc12 ZINC001167160697 1020436764 /nfs/dbraw/zinc/43/67/64/1020436764.db2.gz YNNSVZFGIKOHTE-UHFFFAOYSA-N 2 2 343.474 4.185 20 0 EIADLP Cc1cc([NH+]2CCCC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000326698317 1020546927 /nfs/dbraw/zinc/54/69/27/1020546927.db2.gz UNUXSKKZUSAYKT-UHFFFAOYSA-N 2 2 336.483 4.071 20 0 EIADLP CC(C)c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655683912 1020897372 /nfs/dbraw/zinc/89/73/72/1020897372.db2.gz XHGAUUPEDPKRFZ-YADHBBJMSA-N 2 2 344.543 4.350 20 0 EIADLP CCC(CC)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655703388 1020907573 /nfs/dbraw/zinc/90/75/73/1020907573.db2.gz PEKODUHNAWMHIU-HKUYNNGSSA-N 2 2 336.545 4.068 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655733393 1020924769 /nfs/dbraw/zinc/92/47/69/1020924769.db2.gz MUAOALSDJVDJFW-RBUKOAKNSA-N 2 2 336.907 4.024 20 0 EIADLP Cc1[nH+]cc(Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)cc1N ZINC001210289803 1021008418 /nfs/dbraw/zinc/00/84/18/1021008418.db2.gz ZEOHDCGLVXQESA-LJQANCHMSA-N 2 2 344.462 4.293 20 0 EIADLP Cc1[nH+]cc(Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)cc1N ZINC001210289803 1021008420 /nfs/dbraw/zinc/00/84/20/1021008420.db2.gz ZEOHDCGLVXQESA-LJQANCHMSA-N 2 2 344.462 4.293 20 0 EIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000584499234 1021361059 /nfs/dbraw/zinc/36/10/59/1021361059.db2.gz BGUMZOFSXPWPMN-XMSQKQJNSA-N 2 2 331.463 4.263 20 0 EIADLP c1cc(N2CCCCC2)[nH+]cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706120 1021562868 /nfs/dbraw/zinc/56/28/68/1021562868.db2.gz SNOJFDYZIVRKTN-IBGZPJMESA-N 2 2 326.488 4.016 20 0 EIADLP c1c[nH+]c(N2CCCCC2)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210706184 1021564931 /nfs/dbraw/zinc/56/49/31/1021564931.db2.gz USCKZZRLFFXLHD-SFHVURJKSA-N 2 2 326.488 4.016 20 0 EIADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)ccc1Br ZINC000376178573 1021672950 /nfs/dbraw/zinc/67/29/50/1021672950.db2.gz RUSDLXNCWZFTNH-UKRRQHHQSA-N 2 2 348.288 4.182 20 0 EIADLP Fc1ccc(CC[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000685839906 1021675417 /nfs/dbraw/zinc/67/54/17/1021675417.db2.gz WVQWSIALAFTZJO-UHFFFAOYSA-N 2 2 343.833 4.056 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177807171 1021706593 /nfs/dbraw/zinc/70/65/93/1021706593.db2.gz CZZYWQQFBVBTJZ-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000124936831 1021873027 /nfs/dbraw/zinc/87/30/27/1021873027.db2.gz QFGOXFUROLQGGD-INIZCTEOSA-N 2 2 346.421 4.141 20 0 EIADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000124936831 1021873030 /nfs/dbraw/zinc/87/30/30/1021873030.db2.gz QFGOXFUROLQGGD-INIZCTEOSA-N 2 2 346.421 4.141 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305871 1021890774 /nfs/dbraw/zinc/89/07/74/1021890774.db2.gz DDMKJFVYPCKPBI-QAPCUYQASA-N 2 2 329.513 4.094 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305871 1021890777 /nfs/dbraw/zinc/89/07/77/1021890777.db2.gz DDMKJFVYPCKPBI-QAPCUYQASA-N 2 2 329.513 4.094 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c2ccccc21 ZINC000656201289 1021933662 /nfs/dbraw/zinc/93/36/62/1021933662.db2.gz ODMXMFSNMUFERF-IAGOWNOFSA-N 2 2 348.368 4.309 20 0 EIADLP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580483585 1022081957 /nfs/dbraw/zinc/08/19/57/1022081957.db2.gz LXQOPKOCXNAGIW-QFIPXVFZSA-N 2 2 333.479 4.432 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000580534497 1022175511 /nfs/dbraw/zinc/17/55/11/1022175511.db2.gz MIVHHRSGYYAKRT-YLJYHZDGSA-N 2 2 327.516 4.310 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000580534494 1022176279 /nfs/dbraw/zinc/17/62/79/1022176279.db2.gz MIVHHRSGYYAKRT-FXAWDEMLSA-N 2 2 327.516 4.310 20 0 EIADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Oc1cccnc1 ZINC000271213343 1022285051 /nfs/dbraw/zinc/28/50/51/1022285051.db2.gz WNHVABBDNSZNGG-UHFFFAOYSA-N 2 2 348.450 4.285 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000430565680 1023052365 /nfs/dbraw/zinc/05/23/65/1023052365.db2.gz QKHKWVNVKXGAID-MAUKXSAKSA-N 2 2 343.540 4.493 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000430565680 1023052369 /nfs/dbraw/zinc/05/23/69/1023052369.db2.gz QKHKWVNVKXGAID-MAUKXSAKSA-N 2 2 343.540 4.493 20 0 EIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1(c2ccccc2)CCCC1 ZINC000472633599 1023179367 /nfs/dbraw/zinc/17/93/67/1023179367.db2.gz TXEYLRKJGCDAMG-GOSISDBHSA-N 2 2 337.511 4.252 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001203155914 1023249273 /nfs/dbraw/zinc/24/92/73/1023249273.db2.gz MAZVLZHUGMSLRN-HXUWFJFHSA-N 2 2 342.527 4.287 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001203155914 1023249280 /nfs/dbraw/zinc/24/92/80/1023249280.db2.gz MAZVLZHUGMSLRN-HXUWFJFHSA-N 2 2 342.527 4.287 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034244 1023402409 /nfs/dbraw/zinc/40/24/09/1023402409.db2.gz CLTYFKNSNKWGIW-HKUYNNGSSA-N 2 2 341.524 4.083 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034244 1023402413 /nfs/dbraw/zinc/40/24/13/1023402413.db2.gz CLTYFKNSNKWGIW-HKUYNNGSSA-N 2 2 341.524 4.083 20 0 EIADLP CCn1c[nH+]cc1CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417815545 1023431755 /nfs/dbraw/zinc/43/17/55/1023431755.db2.gz IBOPVOGIYFLJHK-UHFFFAOYSA-N 2 2 326.488 4.280 20 0 EIADLP CCn1c[nH+]cc1CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417815545 1023431764 /nfs/dbraw/zinc/43/17/64/1023431764.db2.gz IBOPVOGIYFLJHK-UHFFFAOYSA-N 2 2 326.488 4.280 20 0 EIADLP COc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)c1 ZINC000415086217 1023434501 /nfs/dbraw/zinc/43/45/01/1023434501.db2.gz RRQRWYXBDPAIJM-QRWLVFNGSA-N 2 2 344.886 4.027 20 0 EIADLP COc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415092996 1023439287 /nfs/dbraw/zinc/43/92/87/1023439287.db2.gz UPWFAICOBWHVHB-OXJNMPFZSA-N 2 2 344.886 4.170 20 0 EIADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415092969 1023439385 /nfs/dbraw/zinc/43/93/85/1023439385.db2.gz UMVGAEJUYPWNOI-FOIQADDNSA-N 2 2 344.886 4.027 20 0 EIADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120151990 1023503132 /nfs/dbraw/zinc/50/31/32/1023503132.db2.gz SUQDTGIAZZTQOI-ROUUACIJSA-N 3 2 328.504 4.033 20 0 EIADLP Cc1ccc([C@@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+]2CCCC2)cc1 ZINC000377616435 1023635093 /nfs/dbraw/zinc/63/50/93/1023635093.db2.gz POBLTDAJPKWGMZ-QETWGEEDSA-N 2 2 335.495 4.063 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566437 1023684359 /nfs/dbraw/zinc/68/43/59/1023684359.db2.gz ARBXDXMCYZEDLH-PMACEKPBSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccsc1 ZINC000390566437 1023684366 /nfs/dbraw/zinc/68/43/66/1023684366.db2.gz ARBXDXMCYZEDLH-PMACEKPBSA-N 2 2 344.524 4.080 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000430729777 1023978904 /nfs/dbraw/zinc/97/89/04/1023978904.db2.gz HPEUBZZJSVHVTF-XKGFGPFHSA-N 2 2 329.532 4.411 20 0 EIADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510536765 1024003029 /nfs/dbraw/zinc/00/30/29/1024003029.db2.gz FSXXVKATAAVDTP-GOSISDBHSA-N 2 2 327.472 4.358 20 0 EIADLP CCCCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510536765 1024003047 /nfs/dbraw/zinc/00/30/47/1024003047.db2.gz FSXXVKATAAVDTP-GOSISDBHSA-N 2 2 327.472 4.358 20 0 EIADLP C[C@@H]1CCCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651790941 1024023666 /nfs/dbraw/zinc/02/36/66/1024023666.db2.gz QWZQMTBHBGXLPJ-LHUBUQBQSA-N 2 2 332.454 4.350 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473132026 1024349598 /nfs/dbraw/zinc/34/95/98/1024349598.db2.gz JDNGIDKBTFMNCN-GOSISDBHSA-N 2 2 336.483 4.381 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473132026 1024349620 /nfs/dbraw/zinc/34/96/20/1024349620.db2.gz JDNGIDKBTFMNCN-GOSISDBHSA-N 2 2 336.483 4.381 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCOc3cc(Cl)ccc31)CCC2 ZINC000341702479 1024353913 /nfs/dbraw/zinc/35/39/13/1024353913.db2.gz XJLJOLTXCFPQAE-YOEHRIQHSA-N 2 2 345.874 4.226 20 0 EIADLP Clc1nccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc21 ZINC000893966316 1033206002 /nfs/dbraw/zinc/20/60/02/1033206002.db2.gz OGILXTOKTRXKRP-LBPRGKRZSA-N 2 2 332.860 4.052 20 0 EIADLP Clc1nccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc21 ZINC000893966316 1033206014 /nfs/dbraw/zinc/20/60/14/1033206014.db2.gz OGILXTOKTRXKRP-LBPRGKRZSA-N 2 2 332.860 4.052 20 0 EIADLP Clc1ccc([C@H]2c3ccsc3CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000661788564 1024509838 /nfs/dbraw/zinc/50/98/38/1024509838.db2.gz QABNDDXVGAKZBJ-SFHVURJKSA-N 2 2 343.883 4.246 20 0 EIADLP Clc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000661788564 1024509858 /nfs/dbraw/zinc/50/98/58/1024509858.db2.gz QABNDDXVGAKZBJ-SFHVURJKSA-N 2 2 343.883 4.246 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250731 1024760989 /nfs/dbraw/zinc/76/09/89/1024760989.db2.gz MLNQFNFFSPNZEV-LBPRGKRZSA-N 2 2 333.278 4.343 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250731 1024761015 /nfs/dbraw/zinc/76/10/15/1024761015.db2.gz MLNQFNFFSPNZEV-LBPRGKRZSA-N 2 2 333.278 4.343 20 0 EIADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174462 1024778161 /nfs/dbraw/zinc/77/81/61/1024778161.db2.gz CMYHQXHJBNKPNY-UKRRQHHQSA-N 2 2 347.256 4.058 20 0 EIADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174462 1024778184 /nfs/dbraw/zinc/77/81/84/1024778184.db2.gz CMYHQXHJBNKPNY-UKRRQHHQSA-N 2 2 347.256 4.058 20 0 EIADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587643 1024822702 /nfs/dbraw/zinc/82/27/02/1024822702.db2.gz KBKLPBBOQKXXQK-KRWDZBQOSA-N 2 2 335.561 4.210 20 0 EIADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587643 1024822705 /nfs/dbraw/zinc/82/27/05/1024822705.db2.gz KBKLPBBOQKXXQK-KRWDZBQOSA-N 2 2 335.561 4.210 20 0 EIADLP CCC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000326661146 1025000919 /nfs/dbraw/zinc/00/09/19/1025000919.db2.gz JBASGJMEORUEGF-ZWKOTPCHSA-N 2 2 344.459 4.337 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1F ZINC000161656330 1025064421 /nfs/dbraw/zinc/06/44/21/1025064421.db2.gz DZNDCYLVPURZKG-QGZVFWFLSA-N 2 2 342.886 4.021 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)oc21 ZINC000326675089 1025191105 /nfs/dbraw/zinc/19/11/05/1025191105.db2.gz NUDHFTCZJKSTCM-KSSFIOAISA-N 2 2 341.455 4.403 20 0 EIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000151312710 1025281096 /nfs/dbraw/zinc/28/10/96/1025281096.db2.gz VYDNGTBQYLFRTJ-OAQYLSRUSA-N 2 2 335.451 4.181 20 0 EIADLP Clc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000472035234 1025453277 /nfs/dbraw/zinc/45/32/77/1025453277.db2.gz ODSINAUOMUXXRO-UHFFFAOYSA-N 2 2 349.931 4.462 20 0 EIADLP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204667593 1025646226 /nfs/dbraw/zinc/64/62/26/1025646226.db2.gz NJOHCXHVXGZZSN-UHFFFAOYSA-N 2 2 334.385 4.168 20 0 EIADLP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204667593 1025646257 /nfs/dbraw/zinc/64/62/57/1025646257.db2.gz NJOHCXHVXGZZSN-UHFFFAOYSA-N 2 2 334.385 4.168 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(-c2ccncc2)c1 ZINC000163865116 1025869007 /nfs/dbraw/zinc/86/90/07/1025869007.db2.gz FGUBRXPLZSEHQH-QGZVFWFLSA-N 2 2 332.451 4.296 20 0 EIADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000237145633 1025892803 /nfs/dbraw/zinc/89/28/03/1025892803.db2.gz ZWJZOWGJBMIJMT-UHFFFAOYSA-N 2 2 337.511 4.180 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000512116440 1026039405 /nfs/dbraw/zinc/03/94/05/1026039405.db2.gz NVFDNPBHZNNSOQ-ONEGZZNKSA-N 2 2 339.389 4.013 20 0 EIADLP c1cn(-c2csc(C[NH2+]C[C@@H]3SCCc4ccccc43)c2)c[nH+]1 ZINC000344150088 1026068872 /nfs/dbraw/zinc/06/88/72/1026068872.db2.gz TXCZKMZPCZJFJI-SFHVURJKSA-N 2 2 341.505 4.054 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CCCO2 ZINC000152107863 1026108056 /nfs/dbraw/zinc/10/80/56/1026108056.db2.gz VUQPNLRCPYOQNR-NRFANRHFSA-N 2 2 347.462 4.243 20 0 EIADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c1 ZINC000152273138 1026133980 /nfs/dbraw/zinc/13/39/80/1026133980.db2.gz OFBOAVMITZGXHE-UWJYYQICSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c1 ZINC000152273138 1026133991 /nfs/dbraw/zinc/13/39/91/1026133991.db2.gz OFBOAVMITZGXHE-UWJYYQICSA-N 2 2 349.478 4.136 20 0 EIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCCO2 ZINC000152243867 1026242003 /nfs/dbraw/zinc/24/20/03/1026242003.db2.gz JBHWLPLLHJXXSJ-FQEVSTJZSA-N 2 2 347.462 4.493 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158159643 1026299773 /nfs/dbraw/zinc/29/97/73/1026299773.db2.gz MSYXJAUKKMWEET-ZNLUXHQJSA-N 2 2 347.462 4.443 20 0 EIADLP Fc1cc(F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000279490709 1026451325 /nfs/dbraw/zinc/45/13/25/1026451325.db2.gz UVVCWCJMMVKNQI-UHFFFAOYSA-N 2 2 349.400 4.016 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000582340070 1026467762 /nfs/dbraw/zinc/46/77/62/1026467762.db2.gz CZCIOPXYSJRCJW-SFHVURJKSA-N 2 2 340.433 4.453 20 0 EIADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000344726430 1026562461 /nfs/dbraw/zinc/56/24/61/1026562461.db2.gz IIIPSCCNVDVKGH-LJQANCHMSA-N 2 2 341.842 4.003 20 0 EIADLP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000507509820 1026820709 /nfs/dbraw/zinc/82/07/09/1026820709.db2.gz MDQBTOFKJIKRDA-HNNXBMFYSA-N 2 2 328.422 4.105 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000507520080 1026825171 /nfs/dbraw/zinc/82/51/71/1026825171.db2.gz MZQSGKHCUXRAHY-DLBZAZTESA-N 2 2 343.540 4.268 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000507520080 1026825176 /nfs/dbraw/zinc/82/51/76/1026825176.db2.gz MZQSGKHCUXRAHY-DLBZAZTESA-N 2 2 343.540 4.268 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657506823 1026882289 /nfs/dbraw/zinc/88/22/89/1026882289.db2.gz ULTODRKLSVJQQM-RTBURBONSA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000657506823 1026882294 /nfs/dbraw/zinc/88/22/94/1026882294.db2.gz ULTODRKLSVJQQM-RTBURBONSA-N 2 2 341.524 4.225 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000582645680 1026898132 /nfs/dbraw/zinc/89/81/32/1026898132.db2.gz KWHAXCSPASWHOJ-RTWAWAEBSA-N 2 2 344.543 4.350 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3cccnc32)c(C)c1 ZINC000684960989 1026901741 /nfs/dbraw/zinc/90/17/41/1026901741.db2.gz WBCANNHLYHEZBS-RTWAWAEBSA-N 2 2 346.478 4.303 20 0 EIADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582695592 1026954342 /nfs/dbraw/zinc/95/43/42/1026954342.db2.gz XIJXFQMQLHIVRA-SJORKVTESA-N 2 2 331.891 4.167 20 0 EIADLP CC(C)[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143446656 1027010225 /nfs/dbraw/zinc/01/02/25/1027010225.db2.gz FUYNAMSJIIKPAO-UHFFFAOYSA-N 2 2 348.384 4.029 20 0 EIADLP CC(C)[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143446656 1027010235 /nfs/dbraw/zinc/01/02/35/1027010235.db2.gz FUYNAMSJIIKPAO-UHFFFAOYSA-N 2 2 348.384 4.029 20 0 EIADLP FC(F)(F)c1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000075758078 1027065029 /nfs/dbraw/zinc/06/50/29/1027065029.db2.gz IOCBGRODIQLYRI-UHFFFAOYSA-N 2 2 345.368 4.240 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474472335 1027098314 /nfs/dbraw/zinc/09/83/14/1027098314.db2.gz NTDRIWVTMMWIBX-HZPDHXFCSA-N 2 2 343.902 4.486 20 0 EIADLP CC(C)Oc1cccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)C(F)F)c1 ZINC000582736447 1027122225 /nfs/dbraw/zinc/12/22/25/1027122225.db2.gz ZBAULIUGBILATL-HTWSVDAQSA-N 2 2 340.458 4.242 20 0 EIADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000520204859 1027313524 /nfs/dbraw/zinc/31/35/24/1027313524.db2.gz KBKNOEWNXUKMHU-IAGOWNOFSA-N 2 2 343.540 4.268 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000453263109 1027361430 /nfs/dbraw/zinc/36/14/30/1027361430.db2.gz HAXOZIYTXMLOEB-WBVHZDCISA-N 2 2 349.400 4.026 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000453263109 1027361453 /nfs/dbraw/zinc/36/14/53/1027361453.db2.gz HAXOZIYTXMLOEB-WBVHZDCISA-N 2 2 349.400 4.026 20 0 EIADLP Cc1cc(Cl)ccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657648603 1027393331 /nfs/dbraw/zinc/39/33/31/1027393331.db2.gz MGNQKANQJLQVRZ-LJQANCHMSA-N 2 2 339.870 4.456 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000163249802 1027574663 /nfs/dbraw/zinc/57/46/63/1027574663.db2.gz ZGWKWPWJOLJXCR-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000163249802 1027574675 /nfs/dbraw/zinc/57/46/75/1027574675.db2.gz ZGWKWPWJOLJXCR-BXWFABGCSA-N 2 2 343.902 4.439 20 0 EIADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475568095 1027651043 /nfs/dbraw/zinc/65/10/43/1027651043.db2.gz MGUZRSFTAIDNRQ-UHFFFAOYSA-N 2 2 328.500 4.115 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000162159385 1027822754 /nfs/dbraw/zinc/82/27/54/1027822754.db2.gz VBURIVYCEMXAPF-GOSISDBHSA-N 2 2 340.515 4.088 20 0 EIADLP COc1ccc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000346129813 1028269559 /nfs/dbraw/zinc/26/95/59/1028269559.db2.gz HQOIWGIUMJVSRI-UHFFFAOYSA-N 2 2 339.464 4.107 20 0 EIADLP COc1ccc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)cc1 ZINC000346129813 1028269577 /nfs/dbraw/zinc/26/95/77/1028269577.db2.gz HQOIWGIUMJVSRI-UHFFFAOYSA-N 2 2 339.464 4.107 20 0 EIADLP Fc1c(Cl)cccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343159059 1028417791 /nfs/dbraw/zinc/41/77/91/1028417791.db2.gz NVXVDKUZSGFTJO-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1SC ZINC000162899923 1028525638 /nfs/dbraw/zinc/52/56/38/1028525638.db2.gz VNIPNPCIAUPJNM-OAHLLOKOSA-N 2 2 345.512 4.355 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156264027 1028686725 /nfs/dbraw/zinc/68/67/25/1028686725.db2.gz DNZLMNMUWFJQNC-CQSZACIVSA-N 2 2 345.874 4.063 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346870254 1028803601 /nfs/dbraw/zinc/80/36/01/1028803601.db2.gz LSLLFWLRJBCPSN-ROUUACIJSA-N 3 2 340.515 4.096 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156829014 1028850965 /nfs/dbraw/zinc/85/09/65/1028850965.db2.gz UBHAOQZXALCEBG-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347160484 1028895317 /nfs/dbraw/zinc/89/53/17/1028895317.db2.gz GMDJFXUSKHJMHD-IIBYNOLFSA-N 2 2 332.451 4.159 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347160484 1028895318 /nfs/dbraw/zinc/89/53/18/1028895318.db2.gz GMDJFXUSKHJMHD-IIBYNOLFSA-N 2 2 332.451 4.159 20 0 EIADLP COc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)c1 ZINC000657780040 1029021670 /nfs/dbraw/zinc/02/16/70/1029021670.db2.gz XXSCANXXBVQDEI-UHFFFAOYSA-N 2 2 339.464 4.111 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650755960 1029183378 /nfs/dbraw/zinc/18/33/78/1029183378.db2.gz QIYFKZOSZJFEQY-UHFFFAOYSA-N 3 2 349.538 4.053 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCC2 ZINC000151320749 1029478205 /nfs/dbraw/zinc/47/82/05/1029478205.db2.gz AMNLVAYMIHVEPI-KRWDZBQOSA-N 2 2 331.463 4.271 20 0 EIADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475342192 1029557184 /nfs/dbraw/zinc/55/71/84/1029557184.db2.gz KHKKKQWYHHOIRR-PMRDFSHISA-N 2 2 332.454 4.350 20 0 EIADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000657821749 1029558254 /nfs/dbraw/zinc/55/82/54/1029558254.db2.gz RNHBNOVSCSDSSP-ZWKOTPCHSA-N 2 2 335.451 4.374 20 0 EIADLP CCC1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475353003 1029570182 /nfs/dbraw/zinc/57/01/82/1029570182.db2.gz PIMMGYDSJADILT-UHFFFAOYSA-N 2 2 332.454 4.350 20 0 EIADLP CC1(C)CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475354270 1029570985 /nfs/dbraw/zinc/57/09/85/1029570985.db2.gz LUCPNKCETLPHHH-QQFBHYJXSA-N 2 2 332.454 4.350 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000446823770 1029589989 /nfs/dbraw/zinc/58/99/89/1029589989.db2.gz PBUKWDLEBYPZPZ-HNNXBMFYSA-N 2 2 349.881 4.100 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000446823770 1029589991 /nfs/dbraw/zinc/58/99/91/1029589991.db2.gz PBUKWDLEBYPZPZ-HNNXBMFYSA-N 2 2 349.881 4.100 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000447066488 1029679204 /nfs/dbraw/zinc/67/92/04/1029679204.db2.gz GFCNGDSGRHAJSP-NSCUHMNNSA-N 2 2 326.415 4.086 20 0 EIADLP Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301554543 1029759471 /nfs/dbraw/zinc/75/94/71/1029759471.db2.gz ROPFJWKENICSDF-SFHVURJKSA-N 2 2 330.520 4.001 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095570 1029782696 /nfs/dbraw/zinc/78/26/96/1029782696.db2.gz GKMKHQXZCSNSMD-RDTXWAMCSA-N 2 2 331.891 4.050 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095570 1029782704 /nfs/dbraw/zinc/78/27/04/1029782704.db2.gz GKMKHQXZCSNSMD-RDTXWAMCSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095570 1029782709 /nfs/dbraw/zinc/78/27/09/1029782709.db2.gz GKMKHQXZCSNSMD-RDTXWAMCSA-N 2 2 331.891 4.050 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)[C@H](C)C1 ZINC000081095570 1029782714 /nfs/dbraw/zinc/78/27/14/1029782714.db2.gz GKMKHQXZCSNSMD-RDTXWAMCSA-N 2 2 331.891 4.050 20 0 EIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090968838 1029866629 /nfs/dbraw/zinc/86/66/29/1029866629.db2.gz UZDKMBDZDBFOEA-XHSDSOJGSA-N 2 2 330.369 4.036 20 0 EIADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090968838 1029866630 /nfs/dbraw/zinc/86/66/30/1029866630.db2.gz UZDKMBDZDBFOEA-XHSDSOJGSA-N 2 2 330.369 4.036 20 0 EIADLP CCCc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000183686016 1030018268 /nfs/dbraw/zinc/01/82/68/1030018268.db2.gz RLUYTFMISXVUAN-AWEZNQCLSA-N 2 2 340.496 4.441 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226269 1030218786 /nfs/dbraw/zinc/21/87/86/1030218786.db2.gz ZEZZCOROZDLVBC-MLGOLLRUSA-N 2 2 345.487 4.193 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000303738334 1030308299 /nfs/dbraw/zinc/30/82/99/1030308299.db2.gz XNYCAEHBKWLWAH-HXUWFJFHSA-N 2 2 335.476 4.162 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000303738334 1030308314 /nfs/dbraw/zinc/30/83/14/1030308314.db2.gz XNYCAEHBKWLWAH-HXUWFJFHSA-N 2 2 335.476 4.162 20 0 EIADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc(C(F)(F)F)c1 ZINC001143457932 1030325614 /nfs/dbraw/zinc/32/56/14/1030325614.db2.gz LWMGRQZVNXSXAX-UHFFFAOYSA-N 2 2 349.400 4.039 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000187724322 1030378721 /nfs/dbraw/zinc/37/87/21/1030378721.db2.gz JEZGFIGTDDIMRV-DBVUQKKJSA-N 2 2 343.540 4.485 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccsc1 ZINC000187724322 1030378738 /nfs/dbraw/zinc/37/87/38/1030378738.db2.gz JEZGFIGTDDIMRV-DBVUQKKJSA-N 2 2 343.540 4.485 20 0 EIADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2)c[nH+]1 ZINC000190753226 1030581159 /nfs/dbraw/zinc/58/11/59/1030581159.db2.gz MGUMQKZRBSIJBJ-UHFFFAOYSA-N 2 2 347.462 4.010 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Br)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191240613 1030610910 /nfs/dbraw/zinc/61/09/10/1030610910.db2.gz ZQGHVIIKGYDOLO-LBPRGKRZSA-N 2 2 346.228 4.079 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657931511 1030626719 /nfs/dbraw/zinc/62/67/19/1030626719.db2.gz MVZDUYVULBTQQX-XCLNPWKQSA-N 2 2 327.516 4.021 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000685662153 1030660704 /nfs/dbraw/zinc/66/07/04/1030660704.db2.gz LORPKLNWPUXEMH-YOEHRIQHSA-N 2 2 337.389 4.273 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000685662150 1030661405 /nfs/dbraw/zinc/66/14/05/1030661405.db2.gz LORPKLNWPUXEMH-PBHICJAKSA-N 2 2 337.389 4.273 20 0 EIADLP C[C@@H]1[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000658198955 1030879012 /nfs/dbraw/zinc/87/90/12/1030879012.db2.gz YSWWNRIUFIWYGP-MVWVFHAYSA-N 2 2 345.490 4.486 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccccc1 ZINC000658198352 1030879228 /nfs/dbraw/zinc/87/92/28/1030879228.db2.gz XOPSFIREURZTKZ-WIXQSORDSA-N 2 2 349.453 4.379 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3cc(F)c(Cl)cc31)CCC2 ZINC000527860586 1030882028 /nfs/dbraw/zinc/88/20/28/1030882028.db2.gz AYVNMILORIJWRQ-SUMWQHHRSA-N 2 2 333.838 4.139 20 0 EIADLP C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658264144 1030915968 /nfs/dbraw/zinc/91/59/68/1030915968.db2.gz HJMXYZSZSGCMQV-MXWWQKGMSA-N 2 2 331.410 4.491 20 0 EIADLP CC(C)CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000658294381 1030958238 /nfs/dbraw/zinc/95/82/38/1030958238.db2.gz MZAULAHAOUQWEB-FGZHOGPDSA-N 2 2 344.543 4.397 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC(Nc3[nH+]ccc4ccccc43)C2)CC1 ZINC000527993611 1031019099 /nfs/dbraw/zinc/01/90/99/1031019099.db2.gz NDFSYDSWLJAQPA-UHFFFAOYSA-N 2 2 349.400 4.452 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@@H]1c1ccccc1 ZINC000340295777 1031208547 /nfs/dbraw/zinc/20/85/47/1031208547.db2.gz QLXRPDWSNRMHIT-DFQSSKMNSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C[C@@H]1c1ccccc1 ZINC000340295777 1031208564 /nfs/dbraw/zinc/20/85/64/1031208564.db2.gz QLXRPDWSNRMHIT-DFQSSKMNSA-N 2 2 340.442 4.074 20 0 EIADLP CC1CCC([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)CC1 ZINC001168221812 1031353382 /nfs/dbraw/zinc/35/33/82/1031353382.db2.gz PYCYSFGTUYYKFU-UHFFFAOYSA-N 2 2 348.288 4.075 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449026284 1031360477 /nfs/dbraw/zinc/36/04/77/1031360477.db2.gz FGNHJFMZGWAIIN-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449026284 1031360493 /nfs/dbraw/zinc/36/04/93/1031360493.db2.gz FGNHJFMZGWAIIN-HNNXBMFYSA-N 2 2 347.503 4.113 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000449031912 1031365219 /nfs/dbraw/zinc/36/52/19/1031365219.db2.gz XWTNJXYWKXLAML-FXAWDEMLSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cccnc3o2)CC[N@H+]1Cc1ccccc1 ZINC000449031912 1031365237 /nfs/dbraw/zinc/36/52/37/1031365237.db2.gz XWTNJXYWKXLAML-FXAWDEMLSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031912 1031365254 /nfs/dbraw/zinc/36/52/54/1031365254.db2.gz XWTNJXYWKXLAML-FXAWDEMLSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3cccnc3o2)CC[NH+]1Cc1ccccc1 ZINC000449031912 1031365267 /nfs/dbraw/zinc/36/52/67/1031365267.db2.gz XWTNJXYWKXLAML-FXAWDEMLSA-N 2 2 349.478 4.313 20 0 EIADLP C[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000449075616 1031431984 /nfs/dbraw/zinc/43/19/84/1031431984.db2.gz NSBMMTZIAQCJFN-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP c1cn(-c2ccccc2C[NH2+]C2CCC(OC3CCCC3)CC2)c[nH+]1 ZINC000449097740 1031439830 /nfs/dbraw/zinc/43/98/30/1031439830.db2.gz MXQAXDUZKOKWPH-UHFFFAOYSA-N 2 2 339.483 4.232 20 0 EIADLP C[C@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000449156719 1031487950 /nfs/dbraw/zinc/48/79/50/1031487950.db2.gz OOSMUNUUMWMOKE-MSOLQXFVSA-N 2 2 332.532 4.301 20 0 EIADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000449181365 1031519651 /nfs/dbraw/zinc/51/96/51/1031519651.db2.gz GWSJERFBZPLBPH-INIZCTEOSA-N 2 2 338.417 4.088 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066976 1031529081 /nfs/dbraw/zinc/52/90/81/1031529081.db2.gz RJAZAWDFGNBOHT-OKZBNKHCSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Oc2ccccc2)cn1 ZINC000453066976 1031529094 /nfs/dbraw/zinc/52/90/94/1031529094.db2.gz RJAZAWDFGNBOHT-OKZBNKHCSA-N 2 2 337.467 4.151 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449210324 1031535356 /nfs/dbraw/zinc/53/53/56/1031535356.db2.gz QCJLFAGLZMRAQI-IIMDRIAPSA-N 2 2 329.532 4.411 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC34CCC4)C2)CC1 ZINC000449292211 1031620523 /nfs/dbraw/zinc/62/05/23/1031620523.db2.gz CFWONMGWYXVALG-UYSNPLJNSA-N 2 2 330.438 4.104 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnc3ccsc3c2)cn1 ZINC000126450134 1031648352 /nfs/dbraw/zinc/64/83/52/1031648352.db2.gz PKPREXPJRISBKJ-ZDUSSCGKSA-N 2 2 349.463 4.036 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)Cn1cc[nH+]c1 ZINC000237579190 1031675680 /nfs/dbraw/zinc/67/56/80/1031675680.db2.gz OKZQXUHFCRHAHE-CQSZACIVSA-N 2 2 329.831 4.222 20 0 EIADLP CCC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000453210108 1031725810 /nfs/dbraw/zinc/72/58/10/1031725810.db2.gz FFCMRFOPOLLMJY-OFLPRAFFSA-N 2 2 332.454 4.350 20 0 EIADLP CCCC(CCC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449525977 1031823476 /nfs/dbraw/zinc/82/34/76/1031823476.db2.gz UOEWXWLDUNHMLU-UHFFFAOYSA-N 2 2 345.531 4.168 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264531 1031969260 /nfs/dbraw/zinc/96/92/60/1031969260.db2.gz KHFFGSFDHNNAIT-ZXYWRSMDSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264531 1031969273 /nfs/dbraw/zinc/96/92/73/1031969273.db2.gz KHFFGSFDHNNAIT-ZXYWRSMDSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264531 1031969283 /nfs/dbraw/zinc/96/92/83/1031969283.db2.gz KHFFGSFDHNNAIT-ZXYWRSMDSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168264531 1031969298 /nfs/dbraw/zinc/96/92/98/1031969298.db2.gz KHFFGSFDHNNAIT-ZXYWRSMDSA-N 2 2 336.882 4.489 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866454 1033490037 /nfs/dbraw/zinc/49/00/37/1033490037.db2.gz XNIPHBHOTAENEA-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866454 1033490043 /nfs/dbraw/zinc/49/00/43/1033490043.db2.gz XNIPHBHOTAENEA-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866454 1033490050 /nfs/dbraw/zinc/49/00/50/1033490050.db2.gz XNIPHBHOTAENEA-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000549866454 1033490059 /nfs/dbraw/zinc/49/00/59/1033490059.db2.gz XNIPHBHOTAENEA-GCJKJVERSA-N 2 2 337.511 4.129 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000512768723 1033894187 /nfs/dbraw/zinc/89/41/87/1033894187.db2.gz HYZHLHRXZYLVKK-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000512768723 1033894192 /nfs/dbraw/zinc/89/41/92/1033894192.db2.gz HYZHLHRXZYLVKK-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512768723 1033894197 /nfs/dbraw/zinc/89/41/97/1033894197.db2.gz HYZHLHRXZYLVKK-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP COc1cc(-c2ccccc2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000512768723 1033894202 /nfs/dbraw/zinc/89/42/02/1033894202.db2.gz HYZHLHRXZYLVKK-UWJYYQICSA-N 2 2 338.495 4.277 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1F ZINC000345183834 1035147147 /nfs/dbraw/zinc/14/71/47/1035147147.db2.gz BSWOHHFIPBVEKP-AWEZNQCLSA-N 2 2 327.378 4.060 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000501377674 1035433103 /nfs/dbraw/zinc/43/31/03/1035433103.db2.gz MOBIKXZFCKXDJS-MZLJFPOFSA-N 2 2 337.389 4.231 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278248 1035496140 /nfs/dbraw/zinc/49/61/40/1035496140.db2.gz VEUCQJDTSZJFOU-HUUCEWRRSA-N 2 2 347.890 4.296 20 0 EIADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000420278248 1035496149 /nfs/dbraw/zinc/49/61/49/1035496149.db2.gz VEUCQJDTSZJFOU-HUUCEWRRSA-N 2 2 347.890 4.296 20 0 EIADLP FC(F)c1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420308520 1035506732 /nfs/dbraw/zinc/50/67/32/1035506732.db2.gz KIMWEWXZZZFSQN-IBGZPJMESA-N 2 2 345.437 4.164 20 0 EIADLP FC(F)c1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420308520 1035506755 /nfs/dbraw/zinc/50/67/55/1035506755.db2.gz KIMWEWXZZZFSQN-IBGZPJMESA-N 2 2 345.437 4.164 20 0 EIADLP Cc1ccc(F)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000491151666 1035818757 /nfs/dbraw/zinc/81/87/57/1035818757.db2.gz XTDQGMCBIHMRGP-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(F)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000491151666 1035818772 /nfs/dbraw/zinc/81/87/72/1035818772.db2.gz XTDQGMCBIHMRGP-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000195436954 1035844350 /nfs/dbraw/zinc/84/43/50/1035844350.db2.gz UQIQKZFOJXUDDV-UHFFFAOYSA-N 2 2 339.870 4.226 20 0 EIADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000571669471 1036113424 /nfs/dbraw/zinc/11/34/24/1036113424.db2.gz NNBBXBCMAVWCFU-UKRRQHHQSA-N 2 2 341.480 4.034 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000669615343 1036249521 /nfs/dbraw/zinc/24/95/21/1036249521.db2.gz MENHTRYGEBMGQA-JCYILVPMSA-N 2 2 333.426 4.117 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1Cl ZINC000421827954 1036784409 /nfs/dbraw/zinc/78/44/09/1036784409.db2.gz AGBNYNPTOCJWHR-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1Cl ZINC000421827954 1036784426 /nfs/dbraw/zinc/78/44/26/1036784426.db2.gz AGBNYNPTOCJWHR-FTRWYGJKSA-N 2 2 343.902 4.296 20 0 EIADLP Cc1ccsc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272305744 1037157566 /nfs/dbraw/zinc/15/75/66/1037157566.db2.gz SESDOWSXNBVKGZ-OAHLLOKOSA-N 2 2 344.528 4.155 20 0 EIADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000604415367 1037381083 /nfs/dbraw/zinc/38/10/83/1037381083.db2.gz AHMZHNBBGIJWLA-UHFFFAOYSA-N 2 2 346.421 4.331 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303051 1037497418 /nfs/dbraw/zinc/49/74/18/1037497418.db2.gz TWRYZSFGKHZRCO-SJORKVTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303051 1037497427 /nfs/dbraw/zinc/49/74/27/1037497427.db2.gz TWRYZSFGKHZRCO-SJORKVTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303051 1037497439 /nfs/dbraw/zinc/49/74/39/1037497439.db2.gz TWRYZSFGKHZRCO-SJORKVTESA-N 2 2 343.490 4.393 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488303051 1037497444 /nfs/dbraw/zinc/49/74/44/1037497444.db2.gz TWRYZSFGKHZRCO-SJORKVTESA-N 2 2 343.490 4.393 20 0 EIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000573790795 1037698069 /nfs/dbraw/zinc/69/80/69/1037698069.db2.gz UNIUZEVUCPKJBB-DOTOQJQBSA-N 2 2 327.472 4.187 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436115 1037760782 /nfs/dbraw/zinc/76/07/82/1037760782.db2.gz CRAVVIMVETYWCE-NQIIRXRSSA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436115 1037760795 /nfs/dbraw/zinc/76/07/95/1037760795.db2.gz CRAVVIMVETYWCE-NQIIRXRSSA-N 2 2 335.495 4.476 20 0 EIADLP FC(F)(F)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000758312074 1037806223 /nfs/dbraw/zinc/80/62/23/1037806223.db2.gz GAUKCIGSKCETQK-UHFFFAOYSA-N 2 2 337.370 4.242 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422890620 1037856950 /nfs/dbraw/zinc/85/69/50/1037856950.db2.gz SQJHKMWJXZKWNI-JJRVBVJISA-N 2 2 329.513 4.218 20 0 EIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422872474 1037858867 /nfs/dbraw/zinc/85/88/67/1037858867.db2.gz HGQILOGTAUVDJM-INIZCTEOSA-N 2 2 327.472 4.222 20 0 EIADLP C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000422943634 1037873611 /nfs/dbraw/zinc/87/36/11/1037873611.db2.gz YOZYUPTZDLCJJG-KPZWWZAWSA-N 2 2 335.278 4.280 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095979 1037935390 /nfs/dbraw/zinc/93/53/90/1037935390.db2.gz WLAKMMDRFDEFMT-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000574095979 1037935417 /nfs/dbraw/zinc/93/54/17/1037935417.db2.gz WLAKMMDRFDEFMT-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000574095979 1037935428 /nfs/dbraw/zinc/93/54/28/1037935428.db2.gz WLAKMMDRFDEFMT-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000574095979 1037935449 /nfs/dbraw/zinc/93/54/49/1037935449.db2.gz WLAKMMDRFDEFMT-GMAHTHKFSA-N 2 2 349.522 4.131 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556826 1038295947 /nfs/dbraw/zinc/29/59/47/1038295947.db2.gz MTILJOCXGVBWKI-WBMJQRKESA-N 2 2 333.476 4.050 20 0 EIADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901480 1038299577 /nfs/dbraw/zinc/29/95/77/1038299577.db2.gz XYMRSZSGQOMOCY-CQSZACIVSA-N 2 2 334.916 4.472 20 0 EIADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901480 1038299591 /nfs/dbraw/zinc/29/95/91/1038299591.db2.gz XYMRSZSGQOMOCY-CQSZACIVSA-N 2 2 334.916 4.472 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1 ZINC000608072902 1038484896 /nfs/dbraw/zinc/48/48/96/1038484896.db2.gz MJGBUWMDJGXVAU-IBGZPJMESA-N 2 2 331.419 4.240 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000608069649 1038485487 /nfs/dbraw/zinc/48/54/87/1038485487.db2.gz DLYXSLJUQOSCQA-GOSISDBHSA-N 2 2 325.843 4.147 20 0 EIADLP CCCc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608068868 1038485646 /nfs/dbraw/zinc/48/56/46/1038485646.db2.gz HMSTXGXNMBIMOF-OAQYLSRUSA-N 2 2 333.479 4.446 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000480764911 1038790388 /nfs/dbraw/zinc/79/03/88/1038790388.db2.gz XVTCGKYWBLEIFG-IBGZPJMESA-N 2 2 343.902 4.473 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000480764247 1038790835 /nfs/dbraw/zinc/79/08/35/1038790835.db2.gz IAOJWBHJNXDQIN-KBPBESRZSA-N 2 2 329.444 4.490 20 0 EIADLP CC(C)(C[NH2+]Cc1ccc(-c2ccncc2)cc1F)C[NH+]1CCCC1 ZINC000480918890 1038873228 /nfs/dbraw/zinc/87/32/28/1038873228.db2.gz DDIQBIQLWUPYPU-UHFFFAOYSA-N 2 2 341.474 4.099 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168258 1038906806 /nfs/dbraw/zinc/90/68/06/1038906806.db2.gz RROJHXNBYKODEE-HSQYWUDLSA-N 2 2 331.463 4.213 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616699 1038907818 /nfs/dbraw/zinc/90/78/18/1038907818.db2.gz WCMLOBXXQLYOSZ-RDJZCZTQSA-N 2 2 329.513 4.115 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616699 1038907833 /nfs/dbraw/zinc/90/78/33/1038907833.db2.gz WCMLOBXXQLYOSZ-RDJZCZTQSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616699 1038907843 /nfs/dbraw/zinc/90/78/43/1038907843.db2.gz WCMLOBXXQLYOSZ-RDJZCZTQSA-N 2 2 329.513 4.115 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)C[C@@H]1C ZINC000537616699 1038907857 /nfs/dbraw/zinc/90/78/57/1038907857.db2.gz WCMLOBXXQLYOSZ-RDJZCZTQSA-N 2 2 329.513 4.115 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000119952131 1039031091 /nfs/dbraw/zinc/03/10/91/1039031091.db2.gz UGSDSHYFMZZQCK-OAHLLOKOSA-N 2 2 330.422 4.280 20 0 EIADLP COc1ccsc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629117 1039117891 /nfs/dbraw/zinc/11/78/91/1039117891.db2.gz SZTIDPQLOVZEPF-FUHWJXTLSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629117 1039117914 /nfs/dbraw/zinc/11/79/14/1039117914.db2.gz SZTIDPQLOVZEPF-FUHWJXTLSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629117 1039117931 /nfs/dbraw/zinc/11/79/31/1039117931.db2.gz SZTIDPQLOVZEPF-FUHWJXTLSA-N 2 2 344.524 4.242 20 0 EIADLP COc1ccsc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000537629117 1039117972 /nfs/dbraw/zinc/11/79/72/1039117972.db2.gz SZTIDPQLOVZEPF-FUHWJXTLSA-N 2 2 344.524 4.242 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000120495474 1039137622 /nfs/dbraw/zinc/13/76/22/1039137622.db2.gz JSBNCSBWPUKGIW-GOSISDBHSA-N 2 2 335.451 4.203 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000120770528 1039197441 /nfs/dbraw/zinc/19/74/41/1039197441.db2.gz RHXFNHOGTCDXCF-HNNXBMFYSA-N 2 2 330.422 4.280 20 0 EIADLP CCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000534350956 1039339260 /nfs/dbraw/zinc/33/92/60/1039339260.db2.gz BHNZEPLVLICLIJ-UHFFFAOYSA-N 2 2 328.525 4.407 20 0 EIADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000534350956 1039339276 /nfs/dbraw/zinc/33/92/76/1039339276.db2.gz BHNZEPLVLICLIJ-UHFFFAOYSA-N 2 2 328.525 4.407 20 0 EIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481429147 1039416079 /nfs/dbraw/zinc/41/60/79/1039416079.db2.gz BZHPAKLXZCEFID-CQSZACIVSA-N 2 2 336.907 4.406 20 0 EIADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000092165892 1039483146 /nfs/dbraw/zinc/48/31/46/1039483146.db2.gz CRECJHZITKYKNE-UHFFFAOYSA-N 2 2 333.501 4.018 20 0 EIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000092165892 1039483157 /nfs/dbraw/zinc/48/31/57/1039483157.db2.gz CRECJHZITKYKNE-UHFFFAOYSA-N 2 2 333.501 4.018 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545229 1039606188 /nfs/dbraw/zinc/60/61/88/1039606188.db2.gz UILXKAKAIHQCAG-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545229 1039606197 /nfs/dbraw/zinc/60/61/97/1039606197.db2.gz UILXKAKAIHQCAG-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545229 1039606212 /nfs/dbraw/zinc/60/62/12/1039606212.db2.gz UILXKAKAIHQCAG-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545229 1039606224 /nfs/dbraw/zinc/60/62/24/1039606224.db2.gz UILXKAKAIHQCAG-AWEZNQCLSA-N 2 2 329.315 4.200 20 0 EIADLP CC[NH+](CC)CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000514238706 1039801253 /nfs/dbraw/zinc/80/12/53/1039801253.db2.gz GNDXDKQMSQGTNW-FQEVSTJZSA-N 2 2 345.918 4.340 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCO2 ZINC000098173034 1039948380 /nfs/dbraw/zinc/94/83/80/1039948380.db2.gz QSGNQXWXGPBJBT-LJQANCHMSA-N 2 2 337.398 4.015 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087053 1039968090 /nfs/dbraw/zinc/96/80/90/1039968090.db2.gz LMGTZECDBPDIPU-LIVBEALHSA-N 2 2 330.422 4.451 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000551087053 1039968116 /nfs/dbraw/zinc/96/81/16/1039968116.db2.gz LMGTZECDBPDIPU-LIVBEALHSA-N 2 2 330.422 4.451 20 0 EIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000482134402 1040027764 /nfs/dbraw/zinc/02/77/64/1040027764.db2.gz GBEQYBCTVSHBIQ-NVXWUHKLSA-N 2 2 347.528 4.393 20 0 EIADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435052464 1040033621 /nfs/dbraw/zinc/03/36/21/1040033621.db2.gz VLIGODZYOZYJNW-LJQANCHMSA-N 2 2 338.382 4.134 20 0 EIADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435052464 1040033641 /nfs/dbraw/zinc/03/36/41/1040033641.db2.gz VLIGODZYOZYJNW-LJQANCHMSA-N 2 2 338.382 4.134 20 0 EIADLP CC(C)c1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435057249 1040035622 /nfs/dbraw/zinc/03/56/22/1040035622.db2.gz JLRXUXRVUANUBV-UHFFFAOYSA-N 2 2 344.528 4.179 20 0 EIADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](CC)CC)cc1 ZINC000551228590 1040073700 /nfs/dbraw/zinc/07/37/00/1040073700.db2.gz JRRFSULDMOZGLF-DYESRHJHSA-N 2 2 332.532 4.037 20 0 EIADLP Clc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccsc4)CC3)c2c1 ZINC000535259700 1040102592 /nfs/dbraw/zinc/10/25/92/1040102592.db2.gz HUQJHZSYWYNBDL-UHFFFAOYSA-N 2 2 343.883 4.272 20 0 EIADLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000479357578 1040286484 /nfs/dbraw/zinc/28/64/84/1040286484.db2.gz JPWVSYUQARWUPL-MRXNPFEDSA-N 2 2 348.288 4.048 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000553548404 1040292888 /nfs/dbraw/zinc/29/28/88/1040292888.db2.gz NMJKADBUTCIYAB-UHFFFAOYSA-N 2 2 338.495 4.325 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403660 1040411350 /nfs/dbraw/zinc/41/13/50/1040411350.db2.gz ABSHLZUCBQJDBF-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403660 1040411358 /nfs/dbraw/zinc/41/13/58/1040411358.db2.gz ABSHLZUCBQJDBF-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403660 1040411365 /nfs/dbraw/zinc/41/13/65/1040411365.db2.gz ABSHLZUCBQJDBF-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000539403660 1040411371 /nfs/dbraw/zinc/41/13/71/1040411371.db2.gz ABSHLZUCBQJDBF-QGZVFWFLSA-N 2 2 349.950 4.104 20 0 EIADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000553737777 1040460410 /nfs/dbraw/zinc/46/04/10/1040460410.db2.gz SXBIHNIRWKJGKG-PMACEKPBSA-N 2 2 341.499 4.005 20 0 EIADLP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000435752456 1040586943 /nfs/dbraw/zinc/58/69/43/1040586943.db2.gz YDBMPLSMYBHALS-RUCARUNLSA-N 2 2 339.389 4.186 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124332 1040716531 /nfs/dbraw/zinc/71/65/31/1040716531.db2.gz GVDYJBJHJWQNLM-HTAPYJJXSA-N 2 2 336.479 4.032 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000483124332 1040716547 /nfs/dbraw/zinc/71/65/47/1040716547.db2.gz GVDYJBJHJWQNLM-HTAPYJJXSA-N 2 2 336.479 4.032 20 0 EIADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483133261 1040724876 /nfs/dbraw/zinc/72/48/76/1040724876.db2.gz HPJCDBCYSLNDFG-BTYIYWSLSA-N 2 2 335.426 4.425 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000483146064 1040735798 /nfs/dbraw/zinc/73/57/98/1040735798.db2.gz QKRXHBUAYQZFMT-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818831 1040811089 /nfs/dbraw/zinc/81/10/89/1040811089.db2.gz BALHBGYCQXLVHN-KGLIPLIRSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818831 1040811096 /nfs/dbraw/zinc/81/10/96/1040811096.db2.gz BALHBGYCQXLVHN-KGLIPLIRSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818831 1040811104 /nfs/dbraw/zinc/81/11/04/1040811104.db2.gz BALHBGYCQXLVHN-KGLIPLIRSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)C[C@H]1C ZINC000539818831 1040811109 /nfs/dbraw/zinc/81/11/09/1040811109.db2.gz BALHBGYCQXLVHN-KGLIPLIRSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851564 1040840984 /nfs/dbraw/zinc/84/09/84/1040840984.db2.gz UIXMBSLGSQSARS-MRXNPFEDSA-N 2 2 332.488 4.328 20 0 EIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851564 1040840985 /nfs/dbraw/zinc/84/09/85/1040840985.db2.gz UIXMBSLGSQSARS-MRXNPFEDSA-N 2 2 332.488 4.328 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851564 1040840989 /nfs/dbraw/zinc/84/09/89/1040840989.db2.gz UIXMBSLGSQSARS-MRXNPFEDSA-N 2 2 332.488 4.328 20 0 EIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000539851564 1040840993 /nfs/dbraw/zinc/84/09/93/1040840993.db2.gz UIXMBSLGSQSARS-MRXNPFEDSA-N 2 2 332.488 4.328 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc3c(s1)CCCC3)CCC2 ZINC000483438483 1040859197 /nfs/dbraw/zinc/85/91/97/1040859197.db2.gz KMFFZYNQVDHRSY-GOEBONIOSA-N 2 2 329.513 4.360 20 0 EIADLP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)sc1Br ZINC000552013424 1040915017 /nfs/dbraw/zinc/91/50/17/1040915017.db2.gz HNIIFJKZUOGOFR-LBPRGKRZSA-N 2 2 342.306 4.147 20 0 EIADLP CCOc1ccccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537976173 1040946016 /nfs/dbraw/zinc/94/60/16/1040946016.db2.gz ODFOGQOFVREBIA-QGZVFWFLSA-N 2 2 335.451 4.164 20 0 EIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000462805138 1040971520 /nfs/dbraw/zinc/97/15/20/1040971520.db2.gz MJTAMGJJFYDZKO-HOTGVXAUSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000462805138 1040971548 /nfs/dbraw/zinc/97/15/48/1040971548.db2.gz MJTAMGJJFYDZKO-HOTGVXAUSA-N 2 2 327.516 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000462823694 1041005607 /nfs/dbraw/zinc/00/56/07/1041005607.db2.gz WLCOTEHJEJKZBN-ZNMIVQPWSA-N 2 2 347.503 4.473 20 0 EIADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000463026929 1041236205 /nfs/dbraw/zinc/23/62/05/1041236205.db2.gz DIXSXMCFUWSBML-AYOQOUSVSA-N 2 2 327.472 4.115 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1Br ZINC000484495119 1041304384 /nfs/dbraw/zinc/30/43/84/1041304384.db2.gz PYUNBOZGNLBGJP-IACUBPJLSA-N 2 2 343.284 4.112 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000484623953 1041375863 /nfs/dbraw/zinc/37/58/63/1041375863.db2.gz VXNUDFSKSAJELP-PZJWPPBQSA-N 2 2 343.559 4.488 20 0 EIADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000484623953 1041375870 /nfs/dbraw/zinc/37/58/70/1041375870.db2.gz VXNUDFSKSAJELP-PZJWPPBQSA-N 2 2 343.559 4.488 20 0 EIADLP Fc1ccc(/C=C/C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000516116688 1041405567 /nfs/dbraw/zinc/40/55/67/1041405567.db2.gz PKGKSAFIBKSJGU-ZZXKWVIFSA-N 2 2 339.389 4.013 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cc1 ZINC000538557761 1041421056 /nfs/dbraw/zinc/42/10/56/1041421056.db2.gz LWMGAINMYIUUOW-KDOFPFPSSA-N 2 2 344.890 4.048 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1F ZINC000554879662 1041476438 /nfs/dbraw/zinc/47/64/38/1041476438.db2.gz ZGVYHELFHHWLCJ-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)ccc1F ZINC000554879662 1041476440 /nfs/dbraw/zinc/47/64/40/1041476440.db2.gz ZGVYHELFHHWLCJ-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000480748973 1041504082 /nfs/dbraw/zinc/50/40/82/1041504082.db2.gz YKYVHEXTVXILFG-ZWKOTPCHSA-N 2 2 335.451 4.201 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732815 1041504744 /nfs/dbraw/zinc/50/47/44/1041504744.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3[nH]cnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732815 1041504754 /nfs/dbraw/zinc/50/47/54/1041504754.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732815 1041504765 /nfs/dbraw/zinc/50/47/65/1041504765.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3[nH]cnc3c2)CC[NH+]1Cc1ccccc1 ZINC000538732815 1041504776 /nfs/dbraw/zinc/50/47/76/1041504776.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000538732815 1041504786 /nfs/dbraw/zinc/50/47/86/1041504786.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3nc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000538732815 1041504792 /nfs/dbraw/zinc/50/47/92/1041504792.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732815 1041504801 /nfs/dbraw/zinc/50/48/01/1041504801.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3nc[nH]c3c2)CC[NH+]1Cc1ccccc1 ZINC000538732815 1041504809 /nfs/dbraw/zinc/50/48/09/1041504809.db2.gz VCQUWAALENFUEV-FXAWDEMLSA-N 2 2 348.494 4.048 20 0 EIADLP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731742 1041505921 /nfs/dbraw/zinc/50/59/21/1041505921.db2.gz JMIBVIZZOVCSDI-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731742 1041505927 /nfs/dbraw/zinc/50/59/27/1041505927.db2.gz JMIBVIZZOVCSDI-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731742 1041505935 /nfs/dbraw/zinc/50/59/35/1041505935.db2.gz JMIBVIZZOVCSDI-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731742 1041505946 /nfs/dbraw/zinc/50/59/46/1041505946.db2.gz JMIBVIZZOVCSDI-GHTZIAJQSA-N 2 2 338.495 4.180 20 0 EIADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000538753985 1041530364 /nfs/dbraw/zinc/53/03/64/1041530364.db2.gz RVALWVPRWGLORV-DFQSSKMNSA-N 2 2 325.500 4.278 20 0 EIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCOc4c(F)cccc43)CC2)C1 ZINC000437081022 1041628803 /nfs/dbraw/zinc/62/88/03/1041628803.db2.gz GNEHNCDPBMYALT-WRWLIDTKSA-N 2 2 346.490 4.282 20 0 EIADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)CC1 ZINC000516621585 1041678012 /nfs/dbraw/zinc/67/80/12/1041678012.db2.gz RNOJZOGFVPSXBN-YXYSEUPNSA-N 2 2 330.516 4.005 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000517442272 1042014743 /nfs/dbraw/zinc/01/47/43/1042014743.db2.gz PGWBXICXDVEJJZ-AWEZNQCLSA-N 2 2 343.883 4.439 20 0 EIADLP CSCc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000438365399 1042150108 /nfs/dbraw/zinc/15/01/08/1042150108.db2.gz QPTXCRJLTZQBEH-UHFFFAOYSA-N 2 2 329.494 4.087 20 0 EIADLP C[C@H]1CCC[C@@H](CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876459 1042217011 /nfs/dbraw/zinc/21/70/11/1042217011.db2.gz GKLPGVYXVSXKMZ-PMACEKPBSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@H]1CCC[C@@H](CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876459 1042217014 /nfs/dbraw/zinc/21/70/14/1042217014.db2.gz GKLPGVYXVSXKMZ-PMACEKPBSA-N 2 2 343.559 4.237 20 0 EIADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc3cc[nH]c32)[NH+]2CCCC2)cc1 ZINC000518280054 1042450961 /nfs/dbraw/zinc/45/09/61/1042450961.db2.gz LVBMEWPXYRDKRP-OAQYLSRUSA-N 2 2 333.479 4.403 20 0 EIADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000426349442 1042581460 /nfs/dbraw/zinc/58/14/60/1042581460.db2.gz DWKURLTYAYGGGB-QAPCUYQASA-N 2 2 333.520 4.068 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467312518 1042880397 /nfs/dbraw/zinc/88/03/97/1042880397.db2.gz FVLWAJYUNZFWIK-LJQANCHMSA-N 2 2 348.494 4.045 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000467312518 1042880401 /nfs/dbraw/zinc/88/04/01/1042880401.db2.gz FVLWAJYUNZFWIK-LJQANCHMSA-N 2 2 348.494 4.045 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000895110358 1043018883 /nfs/dbraw/zinc/01/88/83/1043018883.db2.gz JLKYAXWYSQGTAX-FPCVCCKLSA-N 2 2 341.421 4.279 20 0 EIADLP CC(C)(C)c1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110919 1043022110 /nfs/dbraw/zinc/02/21/10/1043022110.db2.gz COLVKPSCZGTABR-SHTZXODSSA-N 2 2 344.528 4.112 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000190849829 1043096449 /nfs/dbraw/zinc/09/64/49/1043096449.db2.gz MVBQPPMEORYWPY-UHFFFAOYSA-N 2 2 345.368 4.489 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185494832 1043191188 /nfs/dbraw/zinc/19/11/88/1043191188.db2.gz OLGFJQAWGFCGQO-UHFFFAOYSA-N 2 2 349.478 4.378 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)cc1 ZINC000427838977 1043232558 /nfs/dbraw/zinc/23/25/58/1043232558.db2.gz CSIOYQKCFPDZLJ-SJLPKXTDSA-N 2 2 333.435 4.341 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876660 1043234229 /nfs/dbraw/zinc/23/42/29/1043234229.db2.gz MGMROPZFBATHSG-RDJZCZTQSA-N 2 2 337.389 4.204 20 0 EIADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876891 1043235143 /nfs/dbraw/zinc/23/51/43/1043235143.db2.gz NJRWUGCUDHSBNT-CVEARBPZSA-N 2 2 337.389 4.348 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427876659 1043235681 /nfs/dbraw/zinc/23/56/81/1043235681.db2.gz MGMROPZFBATHSG-NVXWUHKLSA-N 2 2 337.389 4.204 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccccc2)cc1 ZINC000427861394 1043237802 /nfs/dbraw/zinc/23/78/02/1043237802.db2.gz SSRPSGKVXAPIDF-FXAWDEMLSA-N 2 2 347.462 4.128 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OCc2ccccc2)c1 ZINC000427865197 1043238770 /nfs/dbraw/zinc/23/87/70/1043238770.db2.gz HFFCKARAAAILRM-FXAWDEMLSA-N 2 2 347.462 4.128 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427883372 1043248752 /nfs/dbraw/zinc/24/87/52/1043248752.db2.gz CDCTWAYOBAAHTA-WBVHZDCISA-N 2 2 337.389 4.204 20 0 EIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427887924 1043250660 /nfs/dbraw/zinc/25/06/60/1043250660.db2.gz RNNGHELFVGHIIR-DYVFJYSZSA-N 2 2 338.282 4.492 20 0 EIADLP c1cn(CCCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)c[nH+]1 ZINC000531684617 1043293850 /nfs/dbraw/zinc/29/38/50/1043293850.db2.gz MVGNYBLUKIIGEN-OAQYLSRUSA-N 2 2 325.500 4.445 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000428228521 1043378668 /nfs/dbraw/zinc/37/86/68/1043378668.db2.gz CKNSLCCCCNBDKW-SJLPKXTDSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000428228521 1043378671 /nfs/dbraw/zinc/37/86/71/1043378671.db2.gz CKNSLCCCCNBDKW-SJLPKXTDSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000428228521 1043378674 /nfs/dbraw/zinc/37/86/74/1043378674.db2.gz CKNSLCCCCNBDKW-SJLPKXTDSA-N 2 2 333.520 4.193 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000428228521 1043378681 /nfs/dbraw/zinc/37/86/81/1043378681.db2.gz CKNSLCCCCNBDKW-SJLPKXTDSA-N 2 2 333.520 4.193 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000189504214 1043583377 /nfs/dbraw/zinc/58/33/77/1043583377.db2.gz ZLDPRPQEWMXCLD-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@H+]1C ZINC000189504214 1043583400 /nfs/dbraw/zinc/58/34/00/1043583400.db2.gz ZLDPRPQEWMXCLD-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504214 1043583427 /nfs/dbraw/zinc/58/34/27/1043583427.db2.gz ZLDPRPQEWMXCLD-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504214 1043583445 /nfs/dbraw/zinc/58/34/45/1043583445.db2.gz ZLDPRPQEWMXCLD-DGCLKSJQSA-N 2 2 345.712 4.017 20 0 EIADLP Cc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1-c1ccccc1 ZINC000189504934 1043587857 /nfs/dbraw/zinc/58/78/57/1043587857.db2.gz PLQRADBYNDWYFP-UHFFFAOYSA-N 2 2 331.463 4.413 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000785484283 1043702837 /nfs/dbraw/zinc/70/28/37/1043702837.db2.gz VAUXSMPBQDGIBE-MRXNPFEDSA-N 2 2 331.872 4.209 20 0 EIADLP FC(F)(F)c1ccc(Cl)c(C2([NH2+]CCCn3cc[nH+]c3)CC2)c1 ZINC000191252414 1043803427 /nfs/dbraw/zinc/80/34/27/1043803427.db2.gz CPJKUWVIQJEXQJ-UHFFFAOYSA-N 2 2 343.780 4.224 20 0 EIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1ccccc1 ZINC000474037130 1043813632 /nfs/dbraw/zinc/81/36/32/1043813632.db2.gz SPOHVQOQSLXWOW-FNAHDJPLSA-N 2 2 344.543 4.254 20 0 EIADLP Clc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000066876541 1043820772 /nfs/dbraw/zinc/82/07/72/1043820772.db2.gz NZHUBKWBHSBLEA-UHFFFAOYSA-N 2 2 332.234 4.469 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000766083114 1043960761 /nfs/dbraw/zinc/96/07/61/1043960761.db2.gz WMGVBTJPRKWSMO-VCOUNFBDSA-N 2 2 337.511 4.421 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000766083114 1043960773 /nfs/dbraw/zinc/96/07/73/1043960773.db2.gz WMGVBTJPRKWSMO-VCOUNFBDSA-N 2 2 337.511 4.421 20 0 EIADLP Cc1ccc([C@H](C)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001168019176 1044342539 /nfs/dbraw/zinc/34/25/39/1044342539.db2.gz HBHMNHVXODWJMH-QRVBRYPASA-N 2 2 337.511 4.482 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000675739098 1044454550 /nfs/dbraw/zinc/45/45/50/1044454550.db2.gz GCGNEYYNFYYOEG-OAHLLOKOSA-N 2 2 337.492 4.332 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000494931176 1044513928 /nfs/dbraw/zinc/51/39/28/1044513928.db2.gz QKXMTXPBWQNMLC-RQUSFULQSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000494931176 1044513941 /nfs/dbraw/zinc/51/39/41/1044513941.db2.gz QKXMTXPBWQNMLC-RQUSFULQSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931176 1044513957 /nfs/dbraw/zinc/51/39/57/1044513957.db2.gz QKXMTXPBWQNMLC-RQUSFULQSA-N 2 2 335.495 4.080 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000494931176 1044513978 /nfs/dbraw/zinc/51/39/78/1044513978.db2.gz QKXMTXPBWQNMLC-RQUSFULQSA-N 2 2 335.495 4.080 20 0 EIADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000675920384 1044560903 /nfs/dbraw/zinc/56/09/03/1044560903.db2.gz KDPPVZHITUHCAG-YOEHRIQHSA-N 2 2 340.496 4.128 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)ccc1F ZINC000675918822 1044561048 /nfs/dbraw/zinc/56/10/48/1044561048.db2.gz GUZIOLFDAIMHRC-IFXJQAMLSA-N 2 2 341.405 4.333 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)ccc1F ZINC000675918821 1044561809 /nfs/dbraw/zinc/56/18/09/1044561809.db2.gz GUZIOLFDAIMHRC-AUUYWEPGSA-N 2 2 341.405 4.333 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1F ZINC000675923030 1044562189 /nfs/dbraw/zinc/56/21/89/1044562189.db2.gz RDJMLRCUSDVKSU-KUHUBIRLSA-N 2 2 341.405 4.333 20 0 EIADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(OC)cc1 ZINC000675922677 1044563182 /nfs/dbraw/zinc/56/31/82/1044563182.db2.gz PWVQBFZYXAVEHA-LEWJYISDSA-N 2 2 349.478 4.453 20 0 EIADLP COc1ccccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923951 1044566839 /nfs/dbraw/zinc/56/68/39/1044566839.db2.gz VXSRDQDDEXPSES-LPHOPBHVSA-N 2 2 335.451 4.063 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000675924246 1044567020 /nfs/dbraw/zinc/56/70/20/1044567020.db2.gz WUCBPMOAHXSPRL-PMACEKPBSA-N 2 2 335.426 4.120 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924336 1044567047 /nfs/dbraw/zinc/56/70/47/1044567047.db2.gz XOVXHTGTIHLTAD-YLJYHZDGSA-N 2 2 349.478 4.372 20 0 EIADLP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998283 1044586734 /nfs/dbraw/zinc/58/67/34/1044586734.db2.gz RJIFXYLDQBDHDQ-RRDBBVDCSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000494998283 1044586755 /nfs/dbraw/zinc/58/67/55/1044586755.db2.gz RJIFXYLDQBDHDQ-RRDBBVDCSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000494998283 1044586773 /nfs/dbraw/zinc/58/67/73/1044586773.db2.gz RJIFXYLDQBDHDQ-RRDBBVDCSA-N 2 2 347.506 4.081 20 0 EIADLP C(=C\c1ccncc1)\C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000494998283 1044586787 /nfs/dbraw/zinc/58/67/87/1044586787.db2.gz RJIFXYLDQBDHDQ-RRDBBVDCSA-N 2 2 347.506 4.081 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000191497451 1044643542 /nfs/dbraw/zinc/64/35/42/1044643542.db2.gz XSJMHHITSWBIJH-HNNXBMFYSA-N 2 2 332.492 4.204 20 0 EIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000191497451 1044643551 /nfs/dbraw/zinc/64/35/51/1044643551.db2.gz XSJMHHITSWBIJH-HNNXBMFYSA-N 2 2 332.492 4.204 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000522379766 1044675659 /nfs/dbraw/zinc/67/56/59/1044675659.db2.gz LOXZLKAFDITFRS-UHFFFAOYSA-N 2 2 327.403 4.161 20 0 EIADLP C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428870244 1044785247 /nfs/dbraw/zinc/78/52/47/1044785247.db2.gz GNWRRVHCIHITBT-KBPBESRZSA-N 2 2 347.503 4.178 20 0 EIADLP C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428870244 1044785269 /nfs/dbraw/zinc/78/52/69/1044785269.db2.gz GNWRRVHCIHITBT-KBPBESRZSA-N 2 2 347.503 4.178 20 0 EIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766213572 1044790577 /nfs/dbraw/zinc/79/05/77/1044790577.db2.gz GWMWMTSYZXYWMG-UZLBHIALSA-N 2 2 329.532 4.136 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C)o1)C1CCCC1)CCC2 ZINC000544567691 1044925718 /nfs/dbraw/zinc/92/57/18/1044925718.db2.gz GWMJRCYLQAJSGP-MJGOQNOKSA-N 2 2 327.472 4.491 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2coc3ccc(F)cc23)C2CCCC2)CC1 ZINC001141858449 1044991017 /nfs/dbraw/zinc/99/10/17/1044991017.db2.gz LYWAPVULRUZPIH-UHFFFAOYSA-N 2 2 330.447 4.411 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2coc3ccc(F)cc23)C2CCCC2)CC1 ZINC001141858449 1044991030 /nfs/dbraw/zinc/99/10/30/1044991030.db2.gz LYWAPVULRUZPIH-UHFFFAOYSA-N 2 2 330.447 4.411 20 0 EIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474467395 1045018820 /nfs/dbraw/zinc/01/88/20/1045018820.db2.gz DYHCUKCINPWGOU-OWCLPIDISA-N 2 2 331.529 4.110 20 0 EIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474467395 1045018835 /nfs/dbraw/zinc/01/88/35/1045018835.db2.gz DYHCUKCINPWGOU-OWCLPIDISA-N 2 2 331.529 4.110 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000474479537 1045020047 /nfs/dbraw/zinc/02/00/47/1045020047.db2.gz XZYIKTVYMRJZHR-IRXDYDNUSA-N 2 2 335.451 4.163 20 0 EIADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777727 1045105874 /nfs/dbraw/zinc/10/58/74/1045105874.db2.gz JDQVHASJEZGXAN-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777727 1045105888 /nfs/dbraw/zinc/10/58/88/1045105888.db2.gz JDQVHASJEZGXAN-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777727 1045105894 /nfs/dbraw/zinc/10/58/94/1045105894.db2.gz JDQVHASJEZGXAN-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000347777727 1045105902 /nfs/dbraw/zinc/10/59/02/1045105902.db2.gz JDQVHASJEZGXAN-PGRDOPGGSA-N 2 2 337.511 4.129 20 0 EIADLP CC1(C)CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000236688788 1045362790 /nfs/dbraw/zinc/36/27/90/1045362790.db2.gz JLZJORLAZSZNKH-FQEVSTJZSA-N 2 2 335.495 4.453 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CC[C@@H](C)C2)CC3)cs1 ZINC001170139360 1045524821 /nfs/dbraw/zinc/52/48/21/1045524821.db2.gz URSYXSAQGUOTSQ-CRAIPNDOSA-N 2 2 333.545 4.071 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CC[C@@H](C)C2)CC3)cs1 ZINC001170139360 1045524832 /nfs/dbraw/zinc/52/48/32/1045524832.db2.gz URSYXSAQGUOTSQ-CRAIPNDOSA-N 2 2 333.545 4.071 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCO2 ZINC000768099977 1045713702 /nfs/dbraw/zinc/71/37/02/1045713702.db2.gz YCORDCFMQGKYIG-NRFANRHFSA-N 2 2 347.462 4.438 20 0 EIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCCO2 ZINC000768102096 1045715166 /nfs/dbraw/zinc/71/51/66/1045715166.db2.gz NRPDBINWNNZYCX-IBGZPJMESA-N 2 2 339.483 4.340 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247933263 1045858364 /nfs/dbraw/zinc/85/83/64/1045858364.db2.gz CFMYYBHVZCJEDR-GJYPPUQNSA-N 2 2 343.540 4.267 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247933263 1045858372 /nfs/dbraw/zinc/85/83/72/1045858372.db2.gz CFMYYBHVZCJEDR-GJYPPUQNSA-N 2 2 343.540 4.267 20 0 EIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384131 1045942322 /nfs/dbraw/zinc/94/23/22/1045942322.db2.gz LCRUFSANKXYWCA-KKSFZXQISA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384131 1045942340 /nfs/dbraw/zinc/94/23/40/1045942340.db2.gz LCRUFSANKXYWCA-KKSFZXQISA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384131 1045942332 /nfs/dbraw/zinc/94/23/32/1045942332.db2.gz LCRUFSANKXYWCA-KKSFZXQISA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000769384131 1045942344 /nfs/dbraw/zinc/94/23/44/1045942344.db2.gz LCRUFSANKXYWCA-KKSFZXQISA-N 2 2 326.484 4.381 20 0 EIADLP Cc1cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]cc2[nH]1 ZINC001170329884 1046003858 /nfs/dbraw/zinc/00/38/58/1046003858.db2.gz ACDZIYNDACDPBZ-OWZKRDHZSA-N 2 2 346.478 4.479 20 0 EIADLP Cc1cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]cc2[nH]1 ZINC001170329884 1046003865 /nfs/dbraw/zinc/00/38/65/1046003865.db2.gz ACDZIYNDACDPBZ-OWZKRDHZSA-N 2 2 346.478 4.479 20 0 EIADLP CC(C)CCn1cccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000161623205 1046012004 /nfs/dbraw/zinc/01/20/04/1046012004.db2.gz SBUZCLRCCNCXMY-UHFFFAOYSA-N 2 2 336.483 4.069 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000769871444 1046100379 /nfs/dbraw/zinc/10/03/79/1046100379.db2.gz GUESRGCSCAGRLF-APWZRJJASA-N 2 2 341.499 4.108 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769871444 1046100383 /nfs/dbraw/zinc/10/03/83/1046100383.db2.gz GUESRGCSCAGRLF-APWZRJJASA-N 2 2 341.499 4.108 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659508 1046608284 /nfs/dbraw/zinc/60/82/84/1046608284.db2.gz JRKWIGVBDIPQSL-MLGOLLRUSA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659508 1046608291 /nfs/dbraw/zinc/60/82/91/1046608291.db2.gz JRKWIGVBDIPQSL-MLGOLLRUSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659508 1046608302 /nfs/dbraw/zinc/60/83/02/1046608302.db2.gz JRKWIGVBDIPQSL-MLGOLLRUSA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659508 1046608307 /nfs/dbraw/zinc/60/83/07/1046608307.db2.gz JRKWIGVBDIPQSL-MLGOLLRUSA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@@H+](Cc1ccc(F)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661638 1046631132 /nfs/dbraw/zinc/63/11/32/1046631132.db2.gz ZOUQPUXUQHZMLQ-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CC[N@H+](Cc1ccc(F)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661638 1046631149 /nfs/dbraw/zinc/63/11/49/1046631149.db2.gz ZOUQPUXUQHZMLQ-UHFFFAOYSA-N 2 2 341.474 4.268 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663328 1046632969 /nfs/dbraw/zinc/63/29/69/1046632969.db2.gz FMSOENBCRRZMDE-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663328 1046632977 /nfs/dbraw/zinc/63/29/77/1046632977.db2.gz FMSOENBCRRZMDE-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663328 1046632996 /nfs/dbraw/zinc/63/29/96/1046632996.db2.gz FMSOENBCRRZMDE-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000536663328 1046633010 /nfs/dbraw/zinc/63/30/10/1046633010.db2.gz FMSOENBCRRZMDE-MRXNPFEDSA-N 2 2 340.458 4.069 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000379636010 1046724455 /nfs/dbraw/zinc/72/44/55/1046724455.db2.gz WSMNCDVBNZYZNU-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000379636010 1046724470 /nfs/dbraw/zinc/72/44/70/1046724470.db2.gz WSMNCDVBNZYZNU-UHFFFAOYSA-N 2 2 333.479 4.235 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(C)cc2)cc1 ZINC000536831988 1046824739 /nfs/dbraw/zinc/82/47/39/1046824739.db2.gz JVCPZFDKUGILSO-RBDMOPTHSA-N 2 2 338.495 4.165 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(C)cc2)cc1 ZINC000536831988 1046824740 /nfs/dbraw/zinc/82/47/40/1046824740.db2.gz JVCPZFDKUGILSO-RBDMOPTHSA-N 2 2 338.495 4.165 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1nc2c(s1)CCC2 ZINC000459644611 1046833023 /nfs/dbraw/zinc/83/30/23/1046833023.db2.gz FHXUXMRUBCVRCB-RLFYNMQTSA-N 2 2 347.572 4.326 20 0 EIADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000459649088 1046835211 /nfs/dbraw/zinc/83/52/11/1046835211.db2.gz IWCNXRNFDMLWCV-AWEZNQCLSA-N 2 2 327.453 4.102 20 0 EIADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3C(F)(F)F)c2)C[C@H]1[NH3+] ZINC001206058520 1046837348 /nfs/dbraw/zinc/83/73/48/1046837348.db2.gz BMZZQBGCAJTXHT-FZKQIMNGSA-N 2 2 334.385 4.151 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3C(F)(F)F)c2)C[C@H]1[NH3+] ZINC001206058520 1046837352 /nfs/dbraw/zinc/83/73/52/1046837352.db2.gz BMZZQBGCAJTXHT-FZKQIMNGSA-N 2 2 334.385 4.151 20 0 EIADLP CC(C)[C@@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(F)cc1 ZINC001170066243 1046890398 /nfs/dbraw/zinc/89/03/98/1046890398.db2.gz IKVLBRNFFUHUJU-TZIWHRDSSA-N 2 2 341.474 4.168 20 0 EIADLP CC(C)[C@@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(F)cc1 ZINC001170066243 1046890403 /nfs/dbraw/zinc/89/04/03/1046890403.db2.gz IKVLBRNFFUHUJU-TZIWHRDSSA-N 2 2 341.474 4.168 20 0 EIADLP c1cn(CC[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000537125839 1046953694 /nfs/dbraw/zinc/95/36/94/1046953694.db2.gz ISAMBIJMTYLBMJ-FGZHOGPDSA-N 2 2 331.463 4.334 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254959 1046961149 /nfs/dbraw/zinc/96/11/49/1046961149.db2.gz OKRBWPWBHXOVQK-YPMHNXCESA-N 2 2 349.828 4.058 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254959 1046961130 /nfs/dbraw/zinc/96/11/30/1046961130.db2.gz OKRBWPWBHXOVQK-YPMHNXCESA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254959 1046961164 /nfs/dbraw/zinc/96/11/64/1046961164.db2.gz OKRBWPWBHXOVQK-YPMHNXCESA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@H]1C ZINC000787254959 1046961182 /nfs/dbraw/zinc/96/11/82/1046961182.db2.gz OKRBWPWBHXOVQK-YPMHNXCESA-N 2 2 349.828 4.058 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001170083947 1047157609 /nfs/dbraw/zinc/15/76/09/1047157609.db2.gz ZTQBDTPUJZZKGZ-BZSNNMDCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083947 1047157584 /nfs/dbraw/zinc/15/75/84/1047157584.db2.gz ZTQBDTPUJZZKGZ-BZSNNMDCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001170083947 1047157597 /nfs/dbraw/zinc/15/75/97/1047157597.db2.gz ZTQBDTPUJZZKGZ-BZSNNMDCSA-N 2 2 335.561 4.254 20 0 EIADLP CC(C)CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001170083947 1047157627 /nfs/dbraw/zinc/15/76/27/1047157627.db2.gz ZTQBDTPUJZZKGZ-BZSNNMDCSA-N 2 2 335.561 4.254 20 0 EIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1 ZINC000537456595 1047254953 /nfs/dbraw/zinc/25/49/53/1047254953.db2.gz UYROIPQFIWCURO-RDTXWAMCSA-N 2 2 344.890 4.048 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000788989031 1047345813 /nfs/dbraw/zinc/34/58/13/1047345813.db2.gz UFXDSHAYSKMUQL-RBUKOAKNSA-N 2 2 341.499 4.319 20 0 EIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000045106244 1047680253 /nfs/dbraw/zinc/68/02/53/1047680253.db2.gz WXFDWQHWCAPLFQ-INIZCTEOSA-N 2 2 336.277 4.167 20 0 EIADLP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000556585883 1047832958 /nfs/dbraw/zinc/83/29/58/1047832958.db2.gz DUXZGGGQDMHCGW-DLBZAZTESA-N 2 2 337.389 4.218 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000131231156 1047842458 /nfs/dbraw/zinc/84/24/58/1047842458.db2.gz KXKKAZYKKNHGNE-CYBMUJFWSA-N 2 2 344.421 4.198 20 0 EIADLP Clc1cc(Cl)c(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246339577 1047899681 /nfs/dbraw/zinc/89/96/81/1047899681.db2.gz ABMKNUNXULARGO-LBPRGKRZSA-N 2 2 333.690 4.411 20 0 EIADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000814290491 1047937538 /nfs/dbraw/zinc/93/75/38/1047937538.db2.gz IEKHBNZVLJTYFD-QGOAFFKASA-N 2 2 347.462 4.212 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171073950 1048043914 /nfs/dbraw/zinc/04/39/14/1048043914.db2.gz YDAXNXOQHUTXJJ-GJZGRUSLSA-N 2 2 339.310 4.067 20 0 EIADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171073950 1048043923 /nfs/dbraw/zinc/04/39/23/1048043923.db2.gz YDAXNXOQHUTXJJ-GJZGRUSLSA-N 2 2 339.310 4.067 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171084534 1048073980 /nfs/dbraw/zinc/07/39/80/1048073980.db2.gz ADAKUXPYWNRYRG-HNNXBMFYSA-N 2 2 338.282 4.069 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171084534 1048073998 /nfs/dbraw/zinc/07/39/98/1048073998.db2.gz ADAKUXPYWNRYRG-HNNXBMFYSA-N 2 2 338.282 4.069 20 0 EIADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171086065 1048080452 /nfs/dbraw/zinc/08/04/52/1048080452.db2.gz IRHXOKZOCHZRSH-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171086065 1048080469 /nfs/dbraw/zinc/08/04/69/1048080469.db2.gz IRHXOKZOCHZRSH-MRXNPFEDSA-N 2 2 341.326 4.267 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000132212303 1048225568 /nfs/dbraw/zinc/22/55/68/1048225568.db2.gz YHWNGGIFZAFNJH-INIZCTEOSA-N 2 2 339.870 4.478 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000132266223 1048238481 /nfs/dbraw/zinc/23/84/81/1048238481.db2.gz HQUQEOIIAOHABS-INIZCTEOSA-N 2 2 339.870 4.478 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170592706 1048589385 /nfs/dbraw/zinc/58/93/85/1048589385.db2.gz LYJBBXJFHMWAIR-ACRUOGEOSA-N 2 2 329.532 4.194 20 0 EIADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)Cn1cc[nH+]c1 ZINC000237533752 1048956292 /nfs/dbraw/zinc/95/62/92/1048956292.db2.gz BOJHNZMAETWPDL-OAHLLOKOSA-N 2 2 347.890 4.284 20 0 EIADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc2cccnc12 ZINC000348195741 1049466979 /nfs/dbraw/zinc/46/69/79/1049466979.db2.gz YBBXPBHRTLLPKQ-UHFFFAOYSA-N 2 2 342.446 4.078 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171440382 1049692099 /nfs/dbraw/zinc/69/20/99/1049692099.db2.gz IGWKFKQYDDALFK-LJQANCHMSA-N 2 2 335.426 4.001 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171440382 1049692105 /nfs/dbraw/zinc/69/21/05/1049692105.db2.gz IGWKFKQYDDALFK-LJQANCHMSA-N 2 2 335.426 4.001 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)s1 ZINC000716700836 1049700388 /nfs/dbraw/zinc/70/03/88/1049700388.db2.gz QEMFAHHRNWZWRP-KANFNMMFSA-N 2 2 341.524 4.155 20 0 EIADLP Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)s1 ZINC000716700836 1049700393 /nfs/dbraw/zinc/70/03/93/1049700393.db2.gz QEMFAHHRNWZWRP-KANFNMMFSA-N 2 2 341.524 4.155 20 0 EIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000245569189 1049783287 /nfs/dbraw/zinc/78/32/87/1049783287.db2.gz GDZWZSQJDGLODY-DOTOQJQBSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000245569189 1049783292 /nfs/dbraw/zinc/78/32/92/1049783292.db2.gz GDZWZSQJDGLODY-DOTOQJQBSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973114 1049836267 /nfs/dbraw/zinc/83/62/67/1049836267.db2.gz VYQCELAQSFMADV-LPHOPBHVSA-N 2 2 341.474 4.315 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(F)cn1 ZINC001171973114 1049836268 /nfs/dbraw/zinc/83/62/68/1049836268.db2.gz VYQCELAQSFMADV-LPHOPBHVSA-N 2 2 341.474 4.315 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC3(C2)CC(F)(F)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171976669 1049836901 /nfs/dbraw/zinc/83/69/01/1049836901.db2.gz MGLWFHLBPTWYQJ-QGZVFWFLSA-N 2 2 334.454 4.161 20 0 EIADLP CC1(C)C[C@H]([NH+]2CC3(C2)CC(F)(F)C3)CC[N@H+]1Cc1ccccc1 ZINC001171976669 1049836904 /nfs/dbraw/zinc/83/69/04/1049836904.db2.gz MGLWFHLBPTWYQJ-QGZVFWFLSA-N 2 2 334.454 4.161 20 0 EIADLP c1cc2c(o1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172081318 1049848076 /nfs/dbraw/zinc/84/80/76/1049848076.db2.gz FERKYOBUOFAEEA-WKCHPHFGSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172081318 1049848077 /nfs/dbraw/zinc/84/80/77/1049848077.db2.gz FERKYOBUOFAEEA-WKCHPHFGSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172081318 1049848080 /nfs/dbraw/zinc/84/80/80/1049848080.db2.gz FERKYOBUOFAEEA-WKCHPHFGSA-N 2 2 336.479 4.223 20 0 EIADLP c1cc2c(o1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172081318 1049848082 /nfs/dbraw/zinc/84/80/82/1049848082.db2.gz FERKYOBUOFAEEA-WKCHPHFGSA-N 2 2 336.479 4.223 20 0 EIADLP Clc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171017186 1049849878 /nfs/dbraw/zinc/84/98/78/1049849878.db2.gz GJKRLKOBXMYOOP-KRWDZBQOSA-N 2 2 337.854 4.173 20 0 EIADLP CCCCCC[C@H](CCC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172388969 1049903908 /nfs/dbraw/zinc/90/39/08/1049903908.db2.gz QROFZYIMSZVXOA-KRWDZBQOSA-N 2 2 344.503 4.417 20 0 EIADLP CCCCCC[C@H](CCC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172388969 1049903915 /nfs/dbraw/zinc/90/39/15/1049903915.db2.gz QROFZYIMSZVXOA-KRWDZBQOSA-N 2 2 344.503 4.417 20 0 EIADLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCC3(CCCC3)CC2)[nH+]c1 ZINC001172730406 1049969442 /nfs/dbraw/zinc/96/94/42/1049969442.db2.gz GSSPLSFEIOMOOF-UHFFFAOYSA-N 2 2 327.516 4.451 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1nc(-c2ccccc2)cs1 ZINC000246951439 1050007993 /nfs/dbraw/zinc/00/79/93/1050007993.db2.gz HKLQUMMBSZHUJR-BHYGNILZSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000247998196 1050039463 /nfs/dbraw/zinc/03/94/63/1050039463.db2.gz KBVPDLVLSDTUQP-HGHGUNKESA-N 2 2 326.459 4.182 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC[N@H+]1C ZINC000247998196 1050039466 /nfs/dbraw/zinc/03/94/66/1050039466.db2.gz KBVPDLVLSDTUQP-HGHGUNKESA-N 2 2 326.459 4.182 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nc2c(s1)CCCC2 ZINC000248399696 1050054225 /nfs/dbraw/zinc/05/42/25/1050054225.db2.gz KAYCNTQTGSQFTB-JYJNAYRXSA-N 2 2 347.572 4.326 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nc2c(s1)CCCC2 ZINC000248399696 1050054233 /nfs/dbraw/zinc/05/42/33/1050054233.db2.gz KAYCNTQTGSQFTB-JYJNAYRXSA-N 2 2 347.572 4.326 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248540279 1050064022 /nfs/dbraw/zinc/06/40/22/1050064022.db2.gz BFQSOWOJOFKPCJ-KBPBESRZSA-N 2 2 335.854 4.228 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248540279 1050064027 /nfs/dbraw/zinc/06/40/27/1050064027.db2.gz BFQSOWOJOFKPCJ-KBPBESRZSA-N 2 2 335.854 4.228 20 0 EIADLP CCC(CC)(C[NH2+][C@@H]1CCCc2n[nH]cc21)[NH2+][C@@H](C)c1ccccc1 ZINC000353522695 1050107437 /nfs/dbraw/zinc/10/74/37/1050107437.db2.gz VPZHXEDEIZIGHA-QFBILLFUSA-N 2 2 340.515 4.286 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC001177231184 1050168240 /nfs/dbraw/zinc/16/82/40/1050168240.db2.gz FAYPJCXPWRQZLM-ZDUSSCGKSA-N 2 2 331.872 4.443 20 0 EIADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC001177235772 1050171100 /nfs/dbraw/zinc/17/11/00/1050171100.db2.gz JWYPCAREZQCEJA-PMACEKPBSA-N 2 2 343.559 4.003 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001177261606 1050183788 /nfs/dbraw/zinc/18/37/88/1050183788.db2.gz HXCZLDQTTIJVNZ-SSZFMOIBSA-N 2 2 338.442 4.013 20 0 EIADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001177441799 1050219339 /nfs/dbraw/zinc/21/93/39/1050219339.db2.gz IFHDVALLJUBZOC-YPAWHYETSA-N 2 2 344.543 4.397 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172881594 1050223690 /nfs/dbraw/zinc/22/36/90/1050223690.db2.gz JBTJIQFDTRPQKX-AWEZNQCLSA-N 2 2 335.904 4.354 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172882147 1050225840 /nfs/dbraw/zinc/22/58/40/1050225840.db2.gz NGVDMGVSEAELSR-CQSZACIVSA-N 2 2 338.948 4.379 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172882147 1050225855 /nfs/dbraw/zinc/22/58/55/1050225855.db2.gz NGVDMGVSEAELSR-CQSZACIVSA-N 2 2 338.948 4.379 20 0 EIADLP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001177492713 1050229186 /nfs/dbraw/zinc/22/91/86/1050229186.db2.gz UORLSYOXIPKSOA-UHFFFAOYSA-N 2 2 325.843 4.432 20 0 EIADLP Cc1cc([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001178030999 1050371182 /nfs/dbraw/zinc/37/11/82/1050371182.db2.gz UPDSJCGHWRJYND-PXNSSMCTSA-N 2 2 327.516 4.151 20 0 EIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539052 1050475150 /nfs/dbraw/zinc/47/51/50/1050475150.db2.gz KTTKUJYTSBSJLH-HIFRSBDPSA-N 2 2 329.315 4.387 20 0 EIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539052 1050475158 /nfs/dbraw/zinc/47/51/58/1050475158.db2.gz KTTKUJYTSBSJLH-HIFRSBDPSA-N 2 2 329.315 4.387 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539051 1050475452 /nfs/dbraw/zinc/47/54/52/1050475452.db2.gz KTTKUJYTSBSJLH-DZGCQCFKSA-N 2 2 329.315 4.387 20 0 EIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC001173539051 1050475464 /nfs/dbraw/zinc/47/54/64/1050475464.db2.gz KTTKUJYTSBSJLH-DZGCQCFKSA-N 2 2 329.315 4.387 20 0 EIADLP C[C@H](CCC1CC1)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178546057 1050497471 /nfs/dbraw/zinc/49/74/71/1050497471.db2.gz JIOKDBRMCDKAQX-OAHLLOKOSA-N 2 2 347.890 4.284 20 0 EIADLP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016863 1050502523 /nfs/dbraw/zinc/50/25/23/1050502523.db2.gz YRXXVTJRCJSMGT-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016863 1050502538 /nfs/dbraw/zinc/50/25/38/1050502538.db2.gz YRXXVTJRCJSMGT-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP c1cn(C2CCC3(CCc4ccccc43)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001173689901 1050542473 /nfs/dbraw/zinc/54/24/73/1050542473.db2.gz MTXIHEPUUVBPIN-FLPIEVNYSA-N 2 2 335.495 4.349 20 0 EIADLP CS[C@@H]1CCC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770312 1050550141 /nfs/dbraw/zinc/55/01/41/1050550141.db2.gz YXKKWJXJQJDHDH-RBUKOAKNSA-N 2 2 332.557 4.305 20 0 EIADLP CS[C@@H]1CCC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770312 1050550159 /nfs/dbraw/zinc/55/01/59/1050550159.db2.gz YXKKWJXJQJDHDH-RBUKOAKNSA-N 2 2 332.557 4.305 20 0 EIADLP c1cc(-c2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)cs1 ZINC000093563889 1050633684 /nfs/dbraw/zinc/63/36/84/1050633684.db2.gz BYCKRADYOLZUIJ-INIZCTEOSA-N 2 2 347.553 4.322 20 0 EIADLP c1cc(-c2ncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)s2)cs1 ZINC000093563889 1050633695 /nfs/dbraw/zinc/63/36/95/1050633695.db2.gz BYCKRADYOLZUIJ-INIZCTEOSA-N 2 2 347.553 4.322 20 0 EIADLP C[C@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438570 1050691278 /nfs/dbraw/zinc/69/12/78/1050691278.db2.gz XAKFRSDNCXGUGV-DENIHFKCSA-N 2 2 333.479 4.483 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@@H]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001179817103 1050786895 /nfs/dbraw/zinc/78/68/95/1050786895.db2.gz NUSAOKGVRUBSOP-QHAWAJNXSA-N 2 2 326.528 4.455 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@@H]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001179817103 1050786906 /nfs/dbraw/zinc/78/69/06/1050786906.db2.gz NUSAOKGVRUBSOP-QHAWAJNXSA-N 2 2 326.528 4.455 20 0 EIADLP CCOc1ccc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001179944950 1050827725 /nfs/dbraw/zinc/82/77/25/1050827725.db2.gz BPEYOZPPBDLYPD-LJQANCHMSA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001179944950 1050827731 /nfs/dbraw/zinc/82/77/31/1050827731.db2.gz BPEYOZPPBDLYPD-LJQANCHMSA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001179944950 1050827736 /nfs/dbraw/zinc/82/77/36/1050827736.db2.gz BPEYOZPPBDLYPD-LJQANCHMSA-N 2 2 342.483 4.022 20 0 EIADLP CCOc1ccc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001179944950 1050827743 /nfs/dbraw/zinc/82/77/43/1050827743.db2.gz BPEYOZPPBDLYPD-LJQANCHMSA-N 2 2 342.483 4.022 20 0 EIADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001180030521 1050859167 /nfs/dbraw/zinc/85/91/67/1050859167.db2.gz NZBHPLRFRFJQKP-FQEVSTJZSA-N 2 2 346.563 4.025 20 0 EIADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001180030521 1050859177 /nfs/dbraw/zinc/85/91/77/1050859177.db2.gz NZBHPLRFRFJQKP-FQEVSTJZSA-N 2 2 346.563 4.025 20 0 EIADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792876 1051076690 /nfs/dbraw/zinc/07/66/90/1051076690.db2.gz HECMYVRDHLTDPX-DZKIICNBSA-N 2 2 347.553 4.362 20 0 EIADLP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccsc2S1 ZINC001180792876 1051076702 /nfs/dbraw/zinc/07/67/02/1051076702.db2.gz HECMYVRDHLTDPX-DZKIICNBSA-N 2 2 347.553 4.362 20 0 EIADLP c1ccc([C@H]2C[C@@H]2C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001181195908 1051178141 /nfs/dbraw/zinc/17/81/41/1051178141.db2.gz GBSBSVJTFPKOOT-NHCUHLMSSA-N 2 2 326.528 4.426 20 0 EIADLP C[C@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@H+](Cc2ccccc2)C1 ZINC001181196354 1051178269 /nfs/dbraw/zinc/17/82/69/1051178269.db2.gz MSBHSWGAVDAQHX-RXVVDRJESA-N 2 2 347.506 4.211 20 0 EIADLP C[C@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C[N@@H+](Cc2ccccc2)C1 ZINC001181196354 1051178272 /nfs/dbraw/zinc/17/82/72/1051178272.db2.gz MSBHSWGAVDAQHX-RXVVDRJESA-N 2 2 347.506 4.211 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001181383387 1051214627 /nfs/dbraw/zinc/21/46/27/1051214627.db2.gz SUEHXYQRDXBDIX-GHTZIAJQSA-N 2 2 340.486 4.401 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001181383387 1051214637 /nfs/dbraw/zinc/21/46/37/1051214637.db2.gz SUEHXYQRDXBDIX-GHTZIAJQSA-N 2 2 340.486 4.401 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCCC1 ZINC000153995516 1051256470 /nfs/dbraw/zinc/25/64/70/1051256470.db2.gz KVRMTWGERBGKRJ-MSOLQXFVSA-N 2 2 330.516 4.055 20 0 EIADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCn3cc[nH+]c3)cc2)c1 ZINC000155755952 1051456473 /nfs/dbraw/zinc/45/64/73/1051456473.db2.gz DJEOXDSDCIEWGO-SFHVURJKSA-N 2 2 335.451 4.121 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520628 1051471197 /nfs/dbraw/zinc/47/11/97/1051471197.db2.gz IWQNFUSUYCWVCY-GMAHTHKFSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520628 1051471202 /nfs/dbraw/zinc/47/12/02/1051471202.db2.gz IWQNFUSUYCWVCY-GMAHTHKFSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001191520628 1051471212 /nfs/dbraw/zinc/47/12/12/1051471212.db2.gz IWQNFUSUYCWVCY-GMAHTHKFSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001191520628 1051471217 /nfs/dbraw/zinc/47/12/17/1051471217.db2.gz IWQNFUSUYCWVCY-GMAHTHKFSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520623 1051472815 /nfs/dbraw/zinc/47/28/15/1051472815.db2.gz IWQNFUSUYCWVCY-FYYLOGMGSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001191520623 1051472821 /nfs/dbraw/zinc/47/28/21/1051472821.db2.gz IWQNFUSUYCWVCY-FYYLOGMGSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001191520623 1051472826 /nfs/dbraw/zinc/47/28/26/1051472826.db2.gz IWQNFUSUYCWVCY-FYYLOGMGSA-N 2 2 349.522 4.185 20 0 EIADLP Cc1cc(C)nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001191520623 1051472832 /nfs/dbraw/zinc/47/28/32/1051472832.db2.gz IWQNFUSUYCWVCY-FYYLOGMGSA-N 2 2 349.522 4.185 20 0 EIADLP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001191871884 1051574666 /nfs/dbraw/zinc/57/46/66/1051574666.db2.gz ZZFIEDJGCLHKIF-UHFFFAOYSA-N 2 2 330.516 4.062 20 0 EIADLP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001191871884 1051574678 /nfs/dbraw/zinc/57/46/78/1051574678.db2.gz ZZFIEDJGCLHKIF-UHFFFAOYSA-N 2 2 330.516 4.062 20 0 EIADLP Clc1cccc(Cl)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000315774103 1051784017 /nfs/dbraw/zinc/78/40/17/1051784017.db2.gz UMIPTVJAIQQNDF-UHFFFAOYSA-N 2 2 336.266 4.147 20 0 EIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183227245 1051808059 /nfs/dbraw/zinc/80/80/59/1051808059.db2.gz PTNLIUJZAMRSIA-HIFRSBDPSA-N 2 2 326.937 4.329 20 0 EIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183227245 1051808061 /nfs/dbraw/zinc/80/80/61/1051808061.db2.gz PTNLIUJZAMRSIA-HIFRSBDPSA-N 2 2 326.937 4.329 20 0 EIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183227247 1051809699 /nfs/dbraw/zinc/80/96/99/1051809699.db2.gz PTNLIUJZAMRSIA-ZFWWWQNUSA-N 2 2 326.937 4.329 20 0 EIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183227247 1051809704 /nfs/dbraw/zinc/80/97/04/1051809704.db2.gz PTNLIUJZAMRSIA-ZFWWWQNUSA-N 2 2 326.937 4.329 20 0 EIADLP CCC1([NH+]2CCCC2)CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC001183238842 1051809951 /nfs/dbraw/zinc/80/99/51/1051809951.db2.gz QHTAXWFXPAHODJ-WAYWQWQTSA-N 2 2 334.454 4.318 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000159141890 1051816799 /nfs/dbraw/zinc/81/67/99/1051816799.db2.gz KGGACZJZJBABGX-ZDUSSCGKSA-N 2 2 345.314 4.145 20 0 EIADLP COc1cc[nH+]cc1Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001176121382 1051921269 /nfs/dbraw/zinc/92/12/69/1051921269.db2.gz SOXIHADTCBZXQZ-UHFFFAOYSA-N 2 2 331.419 4.350 20 0 EIADLP COc1cc[nH+]cc1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001176121382 1051921286 /nfs/dbraw/zinc/92/12/86/1051921286.db2.gz SOXIHADTCBZXQZ-UHFFFAOYSA-N 2 2 331.419 4.350 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC(C)(C)[C@H](c3ccccc3)C2)s1 ZINC001184036410 1051943924 /nfs/dbraw/zinc/94/39/24/1051943924.db2.gz WVSCXVMOPDLDSG-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC(C)(C)[C@H](c3ccccc3)C2)s1 ZINC001184036410 1051943933 /nfs/dbraw/zinc/94/39/33/1051943933.db2.gz WVSCXVMOPDLDSG-SFHVURJKSA-N 2 2 343.540 4.220 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(C)cc2)cc1 ZINC000163781896 1052006183 /nfs/dbraw/zinc/00/61/83/1052006183.db2.gz JVCPZFDKUGILSO-NQSCKRDGSA-N 2 2 338.495 4.165 20 0 EIADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(C)cc2)cc1 ZINC000163781896 1052006190 /nfs/dbraw/zinc/00/61/90/1052006190.db2.gz JVCPZFDKUGILSO-NQSCKRDGSA-N 2 2 338.495 4.165 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H](C)c1nc2ccccc2s1 ZINC000163827553 1052008794 /nfs/dbraw/zinc/00/87/94/1052008794.db2.gz QWVLBLFGZIMZMA-GJZGRUSLSA-N 2 2 340.496 4.275 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001176992024 1052213498 /nfs/dbraw/zinc/21/34/98/1052213498.db2.gz WJSYFKBHWBBBOL-CQSZACIVSA-N 2 2 347.890 4.377 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001176992024 1052213506 /nfs/dbraw/zinc/21/35/06/1052213506.db2.gz WJSYFKBHWBBBOL-CQSZACIVSA-N 2 2 347.890 4.377 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000623850115 1052822351 /nfs/dbraw/zinc/82/23/51/1052822351.db2.gz YEBVMBGSANZMIS-ZWKOTPCHSA-N 2 2 333.476 4.105 20 0 EIADLP Fc1ccc(S[C@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000623870313 1052830984 /nfs/dbraw/zinc/83/09/84/1052830984.db2.gz WFGZPUWUYFYCJV-MOPGFXCFSA-N 2 2 347.503 4.496 20 0 EIADLP C[N@@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(C)C ZINC000623950498 1052841064 /nfs/dbraw/zinc/84/10/64/1052841064.db2.gz DTOZRGOCZMYQFQ-GOSISDBHSA-N 2 2 338.499 4.171 20 0 EIADLP C[N@H+]1CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1(C)C ZINC000623950498 1052841066 /nfs/dbraw/zinc/84/10/66/1052841066.db2.gz DTOZRGOCZMYQFQ-GOSISDBHSA-N 2 2 338.499 4.171 20 0 EIADLP C[N@@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(C)C ZINC000623972001 1052845388 /nfs/dbraw/zinc/84/53/88/1052845388.db2.gz NYYLLETYYZJNDD-SFHVURJKSA-N 2 2 338.499 4.171 20 0 EIADLP C[N@H+]1CC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(C)C ZINC000623972001 1052845390 /nfs/dbraw/zinc/84/53/90/1052845390.db2.gz NYYLLETYYZJNDD-SFHVURJKSA-N 2 2 338.499 4.171 20 0 EIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000181581988 1052888333 /nfs/dbraw/zinc/88/83/33/1052888333.db2.gz XZCBGKBVRYNBAG-MRXNPFEDSA-N 2 2 344.499 4.065 20 0 EIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182712030 1052947461 /nfs/dbraw/zinc/94/74/61/1052947461.db2.gz GPXHKIXFMFZDDP-AWEZNQCLSA-N 2 2 325.378 4.375 20 0 EIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182712030 1052947466 /nfs/dbraw/zinc/94/74/66/1052947466.db2.gz GPXHKIXFMFZDDP-AWEZNQCLSA-N 2 2 325.378 4.375 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1F ZINC000183219599 1052966879 /nfs/dbraw/zinc/96/68/79/1052966879.db2.gz YFGXKEOIBSLVOR-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215437 1053013816 /nfs/dbraw/zinc/01/38/16/1053013816.db2.gz PAIYZBZFZSOWMQ-OXJNMPFZSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncc(F)c1 ZINC000369215437 1053013817 /nfs/dbraw/zinc/01/38/17/1053013817.db2.gz PAIYZBZFZSOWMQ-OXJNMPFZSA-N 2 2 341.474 4.172 20 0 EIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)c1 ZINC000863713245 1053070379 /nfs/dbraw/zinc/07/03/79/1053070379.db2.gz JRVHHABHIQDRDM-OAQYLSRUSA-N 2 2 335.426 4.032 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(-c3cccs3)cc2)s1 ZINC000850354591 1053128960 /nfs/dbraw/zinc/12/89/60/1053128960.db2.gz PALNBHMKHAQHAY-UHFFFAOYSA-N 2 2 343.521 4.223 20 0 EIADLP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000764570016 1053192802 /nfs/dbraw/zinc/19/28/02/1053192802.db2.gz AUWOKBYWSJGUGF-GUYCJALGSA-N 2 2 338.480 4.365 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000764899393 1053364827 /nfs/dbraw/zinc/36/48/27/1053364827.db2.gz QHUCSMJNRMVBTK-MRXNPFEDSA-N 2 2 343.902 4.093 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000852782575 1053613320 /nfs/dbraw/zinc/61/33/20/1053613320.db2.gz VLWUYCZDGRFRIK-QGZVFWFLSA-N 2 2 347.462 4.357 20 0 EIADLP C[C@H](CCc1cccnc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000866364213 1053703921 /nfs/dbraw/zinc/70/39/21/1053703921.db2.gz QLQWYLSNLDZUJA-OAHLLOKOSA-N 2 2 340.858 4.032 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429535802 1054094390 /nfs/dbraw/zinc/09/43/90/1054094390.db2.gz MOQWRTHJYQNFFG-DLBZAZTESA-N 2 2 339.321 4.316 20 0 EIADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429535802 1054094405 /nfs/dbraw/zinc/09/44/05/1054094405.db2.gz MOQWRTHJYQNFFG-DLBZAZTESA-N 2 2 339.321 4.316 20 0 EIADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780728 1054111894 /nfs/dbraw/zinc/11/18/94/1054111894.db2.gz LDRWCOFVVYXTEE-NWDGAFQWSA-N 2 2 349.828 4.279 20 0 EIADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780728 1054111899 /nfs/dbraw/zinc/11/18/99/1054111899.db2.gz LDRWCOFVVYXTEE-NWDGAFQWSA-N 2 2 349.828 4.279 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC001198967733 1054314426 /nfs/dbraw/zinc/31/44/26/1054314426.db2.gz BZNJKGZGBBDBFQ-DFOOEPSASA-N 2 2 342.433 4.405 20 0 EIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)[C@@H]1CCCOC1 ZINC000872050631 1054362121 /nfs/dbraw/zinc/36/21/21/1054362121.db2.gz AKVCHRDWGKBPPI-HLAWJBBLSA-N 2 2 341.499 4.036 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199328500 1054393191 /nfs/dbraw/zinc/39/31/91/1054393191.db2.gz BEQIFJAIYLASBR-IYBDPMFKSA-N 2 2 338.923 4.196 20 0 EIADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001199328500 1054393205 /nfs/dbraw/zinc/39/32/05/1054393205.db2.gz BEQIFJAIYLASBR-IYBDPMFKSA-N 2 2 338.923 4.196 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001200879045 1054565689 /nfs/dbraw/zinc/56/56/89/1054565689.db2.gz DKRFVAHQJRSPPM-WIYYLYMNSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001200879045 1054565706 /nfs/dbraw/zinc/56/57/06/1054565706.db2.gz DKRFVAHQJRSPPM-WIYYLYMNSA-N 2 2 349.522 4.103 20 0 EIADLP CSc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC001200880372 1054566070 /nfs/dbraw/zinc/56/60/70/1054566070.db2.gz SIMJNHSDFTZRMG-WBVHZDCISA-N 2 2 330.497 4.144 20 0 EIADLP CSc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC001200880372 1054566088 /nfs/dbraw/zinc/56/60/88/1054566088.db2.gz SIMJNHSDFTZRMG-WBVHZDCISA-N 2 2 330.497 4.144 20 0 EIADLP Cc1ccccc1-c1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215241 1054643983 /nfs/dbraw/zinc/64/39/83/1054643983.db2.gz ZQTFBTXVSPWHLU-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP Cc1ccccc1-c1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215241 1054643996 /nfs/dbraw/zinc/64/39/96/1054643996.db2.gz ZQTFBTXVSPWHLU-UHFFFAOYSA-N 2 2 349.478 4.344 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n2c1CCCC2 ZINC000282215315 1054655100 /nfs/dbraw/zinc/65/51/00/1054655100.db2.gz YGHWWQKIBIUVQR-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n2c1CCCC2 ZINC000282215315 1054655114 /nfs/dbraw/zinc/65/51/14/1054655114.db2.gz YGHWWQKIBIUVQR-LJQANCHMSA-N 2 2 346.478 4.147 20 0 EIADLP COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776216564 1054929519 /nfs/dbraw/zinc/92/95/19/1054929519.db2.gz AOQASDFZUNHLLV-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001201920850 1054953745 /nfs/dbraw/zinc/95/37/45/1054953745.db2.gz VVWDCTZHQIHVAK-VEDCXYSMSA-N 2 2 344.543 4.224 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001201920850 1054953754 /nfs/dbraw/zinc/95/37/54/1054953754.db2.gz VVWDCTZHQIHVAK-VEDCXYSMSA-N 2 2 344.543 4.224 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000876949136 1054987944 /nfs/dbraw/zinc/98/79/44/1054987944.db2.gz ZHVVKFHZDGWAMB-MJGOQNOKSA-N 2 2 341.886 4.193 20 0 EIADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000876949136 1054987949 /nfs/dbraw/zinc/98/79/49/1054987949.db2.gz ZHVVKFHZDGWAMB-MJGOQNOKSA-N 2 2 341.886 4.193 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CC2(Cl)Cl)c(C)c1 ZINC000877113811 1055021089 /nfs/dbraw/zinc/02/10/89/1055021089.db2.gz HCERZJNAWRYKNE-ZBFHGGJFSA-N 2 2 338.282 4.025 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)cn1 ZINC000126504787 1055047717 /nfs/dbraw/zinc/04/77/17/1055047717.db2.gz GHJHRURZYXICBM-HNNXBMFYSA-N 2 2 338.430 4.182 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)nc2ccccc12 ZINC000429552522 1055139210 /nfs/dbraw/zinc/13/92/10/1055139210.db2.gz YEEVZKHYOORZEK-OAHLLOKOSA-N 2 2 331.891 4.113 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)nc2ccccc12 ZINC000429552522 1055139218 /nfs/dbraw/zinc/13/92/18/1055139218.db2.gz YEEVZKHYOORZEK-OAHLLOKOSA-N 2 2 331.891 4.113 20 0 EIADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202441922 1055177052 /nfs/dbraw/zinc/17/70/52/1055177052.db2.gz HBZAUZHTPHHFJX-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202441922 1055177056 /nfs/dbraw/zinc/17/70/56/1055177056.db2.gz HBZAUZHTPHHFJX-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CCC(C(F)(F)F)CC1 ZINC000354462636 1056517130 /nfs/dbraw/zinc/51/71/30/1056517130.db2.gz ITVZVFLEPRLLGQ-JLVJUDLZSA-N 2 2 329.410 4.107 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1C ZINC000656252449 1056749994 /nfs/dbraw/zinc/74/99/94/1056749994.db2.gz AJVVDZHKSUCRAQ-SJLPKXTDSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1C ZINC000656252449 1056750002 /nfs/dbraw/zinc/75/00/02/1056750002.db2.gz AJVVDZHKSUCRAQ-SJLPKXTDSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)cc1C ZINC000656252449 1056750016 /nfs/dbraw/zinc/75/00/16/1056750016.db2.gz AJVVDZHKSUCRAQ-SJLPKXTDSA-N 2 2 343.540 4.341 20 0 EIADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)cc1C ZINC000656252449 1056750030 /nfs/dbraw/zinc/75/00/30/1056750030.db2.gz AJVVDZHKSUCRAQ-SJLPKXTDSA-N 2 2 343.540 4.341 20 0 EIADLP CCC(CC)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)SC ZINC000766277463 1058391618 /nfs/dbraw/zinc/39/16/18/1058391618.db2.gz KVTJBRDLVMRBSH-UHFFFAOYSA-N 2 2 349.588 4.233 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391716 1058590215 /nfs/dbraw/zinc/59/02/15/1058590215.db2.gz LWGNXXYOZFNAIW-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325723 1059770063 /nfs/dbraw/zinc/77/00/63/1059770063.db2.gz MVMXPLRPJXFRRD-UGSOOPFHSA-N 2 2 339.826 4.310 20 0 EIADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001169050918 1060607552 /nfs/dbraw/zinc/60/75/52/1060607552.db2.gz SBZXAZDNCAFUAJ-QHCPKHFHSA-N 2 2 336.523 4.365 20 0 EIADLP Cc1[nH+]cn([C@@H](Cc2ccccc2)CC(C)C)c1CSCC[NH3+] ZINC001169058746 1060616312 /nfs/dbraw/zinc/61/63/12/1060616312.db2.gz KNDJPBRDCRURAZ-GOSISDBHSA-N 2 2 331.529 4.213 20 0 EIADLP CC[NH+](CC)C1CCN(c2cc(C3CCCCC3)[nH+]c(C)n2)CC1 ZINC001165054099 722004873 /nfs/dbraw/zinc/00/48/73/722004873.db2.gz ZEQAJELQWLIJGS-UHFFFAOYSA-N 2 2 330.520 4.143 20 0 EIADLP Cc1cc2cc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)oc2cc1C ZINC000508619339 1032218383 /nfs/dbraw/zinc/21/83/83/1032218383.db2.gz GAZWBBBHTZAFBX-KRWDZBQOSA-N 2 2 337.467 4.238 20 0 EIADLP Cc1cc2cc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)oc2cc1C ZINC000508619339 1032218398 /nfs/dbraw/zinc/21/83/98/1032218398.db2.gz GAZWBBBHTZAFBX-KRWDZBQOSA-N 2 2 337.467 4.238 20 0 EIADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000509680140 1032267318 /nfs/dbraw/zinc/26/73/18/1032267318.db2.gz JXUVJBOKHNXXHI-UHFFFAOYSA-N 2 2 345.512 4.037 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cn1 ZINC000177233016 1032493572 /nfs/dbraw/zinc/49/35/72/1032493572.db2.gz PZHWLGGJXNCURD-ZDUSSCGKSA-N 2 2 326.831 4.080 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)ccc1F ZINC000177933929 1032512865 /nfs/dbraw/zinc/51/28/65/1032512865.db2.gz ZEESRZYTXIEVKC-FQEVSTJZSA-N 2 2 341.405 4.451 20 0 EIADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177932824 1032513105 /nfs/dbraw/zinc/51/31/05/1032513105.db2.gz XVRGVADQRNPRHE-AWEZNQCLSA-N 2 2 340.496 4.110 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc2ccccc2n1 ZINC000178624144 1032543229 /nfs/dbraw/zinc/54/32/29/1032543229.db2.gz VOVBSDDJNJJXGK-HNNXBMFYSA-N 2 2 346.409 4.410 20 0 EIADLP CC(C)Oc1cccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000124642224 1032664617 /nfs/dbraw/zinc/66/46/17/1032664617.db2.gz KJKFKGYMQNTERU-KRWDZBQOSA-N 2 2 339.483 4.188 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274875948 1019827096 /nfs/dbraw/zinc/82/70/96/1019827096.db2.gz GOMVNKIFWDYMKT-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000179991251 1020016981 /nfs/dbraw/zinc/01/69/81/1020016981.db2.gz OQZMZUJKIIEDNE-SFHVURJKSA-N 2 2 329.806 4.055 20 0 EIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655736002 1020927104 /nfs/dbraw/zinc/92/71/04/1020927104.db2.gz CEKLYMMGPXFFGT-UNMCSNQZSA-N 2 2 342.527 4.030 20 0 EIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655760637 1020941725 /nfs/dbraw/zinc/94/17/25/1020941725.db2.gz VXKCSUNLSBAIGU-FUHWJXTLSA-N 2 2 342.483 4.035 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000655848636 1021012095 /nfs/dbraw/zinc/01/20/95/1021012095.db2.gz JGGTYVIMANVAMM-USXIJHARSA-N 2 2 334.529 4.085 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000655848636 1021012102 /nfs/dbraw/zinc/01/21/02/1021012102.db2.gz JGGTYVIMANVAMM-USXIJHARSA-N 2 2 334.529 4.085 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340439312 1021027345 /nfs/dbraw/zinc/02/73/45/1021027345.db2.gz KFLUUELSKIQRLP-QQUTXWOLSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340439312 1021027350 /nfs/dbraw/zinc/02/73/50/1021027350.db2.gz KFLUUELSKIQRLP-QQUTXWOLSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@H](CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706230 1021126401 /nfs/dbraw/zinc/12/64/01/1021126401.db2.gz FGURASSHTPKFGR-WIYYLYMNSA-N 2 2 333.479 4.487 20 0 EIADLP Cc1ccc(C)c([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000584499231 1021359156 /nfs/dbraw/zinc/35/91/56/1021359156.db2.gz BGUMZOFSXPWPMN-AVRDEDQJSA-N 2 2 331.463 4.263 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000683772953 1021462995 /nfs/dbraw/zinc/46/29/95/1021462995.db2.gz USRRGKVGXNCNKQ-OAHLLOKOSA-N 2 2 331.872 4.209 20 0 EIADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)c1 ZINC000414058090 1021754525 /nfs/dbraw/zinc/75/45/25/1021754525.db2.gz GUTMBXNGAJQVOH-SJLPKXTDSA-N 2 2 343.902 4.341 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000580302502 1021831191 /nfs/dbraw/zinc/83/11/91/1021831191.db2.gz WXTRPZISMMDWRZ-SFHLNBCPSA-N 2 2 337.511 4.268 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155688564 1021877960 /nfs/dbraw/zinc/87/79/60/1021877960.db2.gz JQHUSTAXBSWFKZ-LBPRGKRZSA-N 2 2 346.887 4.319 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038057 1021964409 /nfs/dbraw/zinc/96/44/09/1021964409.db2.gz QQPCJQZBGFWZKF-QRWLVFNGSA-N 2 2 346.877 4.479 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000398038057 1021964427 /nfs/dbraw/zinc/96/44/27/1021964427.db2.gz QQPCJQZBGFWZKF-QRWLVFNGSA-N 2 2 346.877 4.479 20 0 EIADLP CC(C)Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000893079579 1022011089 /nfs/dbraw/zinc/01/10/89/1022011089.db2.gz JXYODBKRHROZPG-OAQYLSRUSA-N 2 2 348.494 4.087 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(Cl)cc1Cl ZINC000377799696 1022013830 /nfs/dbraw/zinc/01/38/30/1022013830.db2.gz YFXZWOGTRIJNDI-BDAKNGLRSA-N 2 2 328.218 4.064 20 0 EIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414171553 1022016122 /nfs/dbraw/zinc/01/61/22/1022016122.db2.gz XJAIWFDCLAPWNX-PVAVHDDUSA-N 2 2 329.875 4.236 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccsc1 ZINC000177952715 1022065716 /nfs/dbraw/zinc/06/57/16/1022065716.db2.gz RCSFWXHTMWLEIE-OAHLLOKOSA-N 2 2 329.513 4.134 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000580534495 1022174451 /nfs/dbraw/zinc/17/44/51/1022174451.db2.gz MIVHHRSGYYAKRT-PXNSSMCTSA-N 2 2 327.516 4.310 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)CCC2 ZINC000378184922 1022489156 /nfs/dbraw/zinc/48/91/56/1022489156.db2.gz QKMAUIPUDDNXSF-ZIAGYGMSSA-N 2 2 337.389 4.439 20 0 EIADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCCCC2)n1 ZINC000367615308 1022700477 /nfs/dbraw/zinc/70/04/77/1022700477.db2.gz LDFYVXZUFNKAFF-IBGZPJMESA-N 2 2 330.520 4.028 20 0 EIADLP COc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000363810135 1022800424 /nfs/dbraw/zinc/80/04/24/1022800424.db2.gz BRLHBJHUJRKHPN-KRWDZBQOSA-N 2 2 339.483 4.027 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000549085090 1022839485 /nfs/dbraw/zinc/83/94/85/1022839485.db2.gz HJUKFHIDJFNHQY-LBPRGKRZSA-N 2 2 334.813 4.179 20 0 EIADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000549085090 1022839489 /nfs/dbraw/zinc/83/94/89/1022839489.db2.gz HJUKFHIDJFNHQY-LBPRGKRZSA-N 2 2 334.813 4.179 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283152906 1022878363 /nfs/dbraw/zinc/87/83/63/1022878363.db2.gz ONYUHHKQCJOFHY-TZMCWYRMSA-N 2 2 342.314 4.131 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000283152906 1022878368 /nfs/dbraw/zinc/87/83/68/1022878368.db2.gz ONYUHHKQCJOFHY-TZMCWYRMSA-N 2 2 342.314 4.131 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)n2)cc1F ZINC000367629203 1022938733 /nfs/dbraw/zinc/93/87/33/1022938733.db2.gz BGGXRZPTCZXCBO-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 ZINC000363998422 1023110167 /nfs/dbraw/zinc/11/01/67/1023110167.db2.gz CKNHUERPZPQIET-QFBILLFUSA-N 2 2 343.540 4.223 20 0 EIADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 ZINC000363998422 1023110189 /nfs/dbraw/zinc/11/01/89/1023110189.db2.gz CKNHUERPZPQIET-QFBILLFUSA-N 2 2 343.540 4.223 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000376686720 1023253999 /nfs/dbraw/zinc/25/39/99/1023253999.db2.gz FICDXCHAHBWCTB-LJHODMEESA-N 2 2 329.875 4.079 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000376686720 1023254006 /nfs/dbraw/zinc/25/40/06/1023254006.db2.gz FICDXCHAHBWCTB-LJHODMEESA-N 2 2 329.875 4.079 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000364129271 1023328022 /nfs/dbraw/zinc/32/80/22/1023328022.db2.gz SHMPMSHVEBRKEK-GFCCVEGCSA-N 2 2 338.710 4.404 20 0 EIADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000364129271 1023328028 /nfs/dbraw/zinc/32/80/28/1023328028.db2.gz SHMPMSHVEBRKEK-GFCCVEGCSA-N 2 2 338.710 4.404 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000090189502 1023394422 /nfs/dbraw/zinc/39/44/22/1023394422.db2.gz QBYFEKUMUYVVTB-WOJBJXKFSA-N 2 2 342.527 4.121 20 0 EIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000090189502 1023394426 /nfs/dbraw/zinc/39/44/26/1023394426.db2.gz QBYFEKUMUYVVTB-WOJBJXKFSA-N 2 2 342.527 4.121 20 0 EIADLP Brc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415077327 1023421741 /nfs/dbraw/zinc/42/17/41/1023421741.db2.gz HNWWSUCVFNDHJN-AEFFLSMTSA-N 2 2 345.284 4.032 20 0 EIADLP COc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415081247 1023430030 /nfs/dbraw/zinc/43/00/30/1023430030.db2.gz KMPMLBIQVCXSGS-UZLBHIALSA-N 2 2 344.886 4.170 20 0 EIADLP Clc1ccccc1SCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795831 1023838742 /nfs/dbraw/zinc/83/87/42/1023838742.db2.gz DBYYLOOCSVCJTI-UHFFFAOYSA-N 2 2 335.904 4.356 20 0 EIADLP Fc1cc2cccnc2c(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679016 1024009283 /nfs/dbraw/zinc/00/92/83/1024009283.db2.gz LRTIOJKCYOXMPE-UHFFFAOYSA-N 2 2 349.453 4.128 20 0 EIADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510541111 1024010091 /nfs/dbraw/zinc/01/00/91/1024010091.db2.gz ZEXDRIDAKWXHSM-SFHVURJKSA-N 2 2 327.472 4.214 20 0 EIADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000510541111 1024010107 /nfs/dbraw/zinc/01/01/07/1024010107.db2.gz ZEXDRIDAKWXHSM-SFHVURJKSA-N 2 2 327.472 4.214 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCOCC1)c1ccccc1 ZINC000510648114 1024170001 /nfs/dbraw/zinc/17/00/01/1024170001.db2.gz DSYKEQNECDPKTR-YYWHXJBOSA-N 2 2 342.527 4.055 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651688372 1024208446 /nfs/dbraw/zinc/20/84/46/1024208446.db2.gz IMBIHSKYJIGWFO-QGZVFWFLSA-N 2 2 335.495 4.416 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc(F)c2)c1 ZINC000510735210 1024371411 /nfs/dbraw/zinc/37/14/11/1024371411.db2.gz NISDZMTVERLQEY-FKBYEOEOSA-N 2 2 338.470 4.440 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(F)c2)c1 ZINC000510735210 1024371427 /nfs/dbraw/zinc/37/14/27/1024371427.db2.gz NISDZMTVERLQEY-FKBYEOEOSA-N 2 2 338.470 4.440 20 0 EIADLP Clc1nccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc21 ZINC000893966315 1033206567 /nfs/dbraw/zinc/20/65/67/1033206567.db2.gz OGILXTOKTRXKRP-GFCCVEGCSA-N 2 2 332.860 4.052 20 0 EIADLP Clc1nccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc21 ZINC000893966315 1033206584 /nfs/dbraw/zinc/20/65/84/1033206584.db2.gz OGILXTOKTRXKRP-GFCCVEGCSA-N 2 2 332.860 4.052 20 0 EIADLP CC(C)(C)OC1CC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000432241438 1024718059 /nfs/dbraw/zinc/71/80/59/1024718059.db2.gz JDOJBCYTQSNFAC-UHFFFAOYSA-N 2 2 333.501 4.007 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180896448 1024853364 /nfs/dbraw/zinc/85/33/64/1024853364.db2.gz PBQOSMZWBUOJCT-UHFFFAOYSA-N 2 2 338.373 4.149 20 0 EIADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000221669200 1024938083 /nfs/dbraw/zinc/93/80/83/1024938083.db2.gz XLIKGXGMGOYLDL-AWEZNQCLSA-N 2 2 339.321 4.220 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c2ccccc12 ZINC000150975527 1025243117 /nfs/dbraw/zinc/24/31/17/1025243117.db2.gz CQQZWCFJVIOSAG-HZPDHXFCSA-N 2 2 335.451 4.019 20 0 EIADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151126747 1025264602 /nfs/dbraw/zinc/26/46/02/1025264602.db2.gz URNAYTCKQQXJRB-AWEZNQCLSA-N 2 2 340.254 4.084 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000511988262 1025422727 /nfs/dbraw/zinc/42/27/27/1025422727.db2.gz HCSMOFYUCUDNMR-UHFFFAOYSA-N 2 2 349.931 4.417 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000512046852 1025842210 /nfs/dbraw/zinc/84/22/10/1025842210.db2.gz VVPWHXDLEKGHMV-LJQANCHMSA-N 2 2 347.503 4.365 20 0 EIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536103 1025986322 /nfs/dbraw/zinc/98/63/22/1025986322.db2.gz YGSWURMCXOFGCC-MOPGFXCFSA-N 2 2 333.520 4.113 20 0 EIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167536103 1025986347 /nfs/dbraw/zinc/98/63/47/1025986347.db2.gz YGSWURMCXOFGCC-MOPGFXCFSA-N 2 2 333.520 4.113 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000344104262 1026018554 /nfs/dbraw/zinc/01/85/54/1026018554.db2.gz ILPYYWMHGHSKIB-OAQYLSRUSA-N 2 2 349.453 4.280 20 0 EIADLP Cc1[nH]c2ccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cc2c1C ZINC000344159414 1026078757 /nfs/dbraw/zinc/07/87/57/1026078757.db2.gz DLVQEZUEEJRQRV-UHFFFAOYSA-N 2 2 336.464 4.322 20 0 EIADLP Cc1cccc2[nH]cc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c21 ZINC000344296830 1026223330 /nfs/dbraw/zinc/22/33/30/1026223330.db2.gz UYIVYAIUWWETRB-UHFFFAOYSA-N 2 2 336.464 4.056 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000152256008 1026259422 /nfs/dbraw/zinc/25/94/22/1026259422.db2.gz PJYJOTTZQVYWKU-AWEZNQCLSA-N 2 2 334.448 4.333 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187363776 1026378202 /nfs/dbraw/zinc/37/82/02/1026378202.db2.gz NOCSDMSTEMQTDH-IAQYHMDHSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000187363776 1026378212 /nfs/dbraw/zinc/37/82/12/1026378212.db2.gz NOCSDMSTEMQTDH-IAQYHMDHSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363776 1026378225 /nfs/dbraw/zinc/37/82/25/1026378225.db2.gz NOCSDMSTEMQTDH-IAQYHMDHSA-N 2 2 334.813 4.273 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000187363776 1026378238 /nfs/dbraw/zinc/37/82/38/1026378238.db2.gz NOCSDMSTEMQTDH-IAQYHMDHSA-N 2 2 334.813 4.273 20 0 EIADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000925081444 1026554872 /nfs/dbraw/zinc/55/48/72/1026554872.db2.gz ZSCLXPFXVPTQLP-HOCLYGCPSA-N 2 2 327.472 4.168 20 0 EIADLP c1cn(-c2ccc(C[NH+]3CC(c4nc5ccccc5s4)C3)cc2)c[nH+]1 ZINC000342548577 1026629223 /nfs/dbraw/zinc/62/92/23/1026629223.db2.gz PYVOGTXSFRKVIS-UHFFFAOYSA-N 2 2 346.459 4.081 20 0 EIADLP c1ccc([C@H](C[NH2+]Cc2cccc3cnccc32)[NH+]2CCCC2)cc1 ZINC000236662463 1026661490 /nfs/dbraw/zinc/66/14/90/1026661490.db2.gz LNMSGAZFNCNVTJ-QFIPXVFZSA-N 2 2 331.463 4.162 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000507471631 1026806929 /nfs/dbraw/zinc/80/69/29/1026806929.db2.gz PQGLPQXXUHWUEL-BBTUJRGHSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000507471631 1026806931 /nfs/dbraw/zinc/80/69/31/1026806931.db2.gz PQGLPQXXUHWUEL-BBTUJRGHSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000507540924 1026832608 /nfs/dbraw/zinc/83/26/08/1026832608.db2.gz WVHBETNMOWHXMR-KNBMTAEXSA-N 2 2 343.540 4.439 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000507540924 1026832611 /nfs/dbraw/zinc/83/26/11/1026832611.db2.gz WVHBETNMOWHXMR-KNBMTAEXSA-N 2 2 343.540 4.439 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(-c2ccncc2)c1 ZINC000152835385 1026853806 /nfs/dbraw/zinc/85/38/06/1026853806.db2.gz PXTJSPPRPNEVTN-KRWDZBQOSA-N 2 2 346.478 4.175 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657506822 1026882840 /nfs/dbraw/zinc/88/28/40/1026882840.db2.gz ULTODRKLSVJQQM-RBUKOAKNSA-N 2 2 341.524 4.225 20 0 EIADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000657506822 1026882843 /nfs/dbraw/zinc/88/28/43/1026882843.db2.gz ULTODRKLSVJQQM-RBUKOAKNSA-N 2 2 341.524 4.225 20 0 EIADLP CC1(C)C[C@@H]([NH2+]CCc2noc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000657534857 1026990020 /nfs/dbraw/zinc/99/00/20/1026990020.db2.gz UPMSTOWQYFOGAD-GOSISDBHSA-N 2 2 349.478 4.013 20 0 EIADLP CC1(C)C[C@@H]([NH2+]CCc2noc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000657534857 1026990026 /nfs/dbraw/zinc/99/00/26/1026990026.db2.gz UPMSTOWQYFOGAD-GOSISDBHSA-N 2 2 349.478 4.013 20 0 EIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000474473383 1027098754 /nfs/dbraw/zinc/09/87/54/1027098754.db2.gz YHOPVPRLTYLYFZ-WOJBJXKFSA-N 2 2 325.500 4.278 20 0 EIADLP Cc1ccc2[nH+]ccc(NCc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000302169579 1027239669 /nfs/dbraw/zinc/23/96/69/1027239669.db2.gz TYGHXMXCKIKQPW-UHFFFAOYSA-N 2 2 328.419 4.400 20 0 EIADLP COc1cccc2c(NC3CC[NH+](C(C)(C)C)CC3)c(C)c[nH+]c12 ZINC000302613419 1027345861 /nfs/dbraw/zinc/34/58/61/1027345861.db2.gz FLJULXWNDNDJNO-UHFFFAOYSA-N 2 2 327.472 4.227 20 0 EIADLP Clc1ccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c2c1 ZINC000302640233 1027349371 /nfs/dbraw/zinc/34/93/71/1027349371.db2.gz IAVPTRHNWGISML-UHFFFAOYSA-N 2 2 326.831 4.076 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474713005 1027430729 /nfs/dbraw/zinc/43/07/29/1027430729.db2.gz KXFVSXHUMYSUHK-PMPSAXMXSA-N 2 2 343.540 4.395 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000474713005 1027430738 /nfs/dbraw/zinc/43/07/38/1027430738.db2.gz KXFVSXHUMYSUHK-PMPSAXMXSA-N 2 2 343.540 4.395 20 0 EIADLP C/C(=C/c1ccccc1)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000102421206 1027442897 /nfs/dbraw/zinc/44/28/97/1027442897.db2.gz BQVUDKLVAYUCHI-MNDPQUGUSA-N 2 2 331.463 4.167 20 0 EIADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167625136 1027456838 /nfs/dbraw/zinc/45/68/38/1027456838.db2.gz NUDUXCTYJUWVNH-UHFFFAOYSA-N 2 2 340.393 4.066 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C2CCSCC2)c(C)c1 ZINC000474817117 1027541574 /nfs/dbraw/zinc/54/15/74/1027541574.db2.gz ZLVQSJKCNGLZIU-PXNSSMCTSA-N 2 2 343.540 4.363 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923261 1027802632 /nfs/dbraw/zinc/80/26/32/1027802632.db2.gz PIJRFVJUILHMQI-YLJYHZDGSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000474923261 1027802636 /nfs/dbraw/zinc/80/26/36/1027802636.db2.gz PIJRFVJUILHMQI-YLJYHZDGSA-N 2 2 332.557 4.162 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000443800421 1027892995 /nfs/dbraw/zinc/89/29/95/1027892995.db2.gz LWAIYMKINIIWMC-GGPKGHCWSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000443800421 1027892998 /nfs/dbraw/zinc/89/29/98/1027892998.db2.gz LWAIYMKINIIWMC-GGPKGHCWSA-N 2 2 329.532 4.098 20 0 EIADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000536371766 1028198907 /nfs/dbraw/zinc/19/89/07/1028198907.db2.gz UVYZXOGNPKDQGT-UHFFFAOYSA-N 2 2 332.451 4.015 20 0 EIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1cccc(O)c1 ZINC000346139093 1028274786 /nfs/dbraw/zinc/27/47/86/1028274786.db2.gz KJUFNBHZNGOOHV-CQSZACIVSA-N 2 2 327.453 4.223 20 0 EIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1cccc(O)c1 ZINC000346139093 1028274802 /nfs/dbraw/zinc/27/48/02/1028274802.db2.gz KJUFNBHZNGOOHV-CQSZACIVSA-N 2 2 327.453 4.223 20 0 EIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)F)cc1 ZINC000346137806 1028275692 /nfs/dbraw/zinc/27/56/92/1028275692.db2.gz JEHULOSVRCCZEH-UHFFFAOYSA-N 2 2 349.406 4.167 20 0 EIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)F)cc1 ZINC000346137806 1028275709 /nfs/dbraw/zinc/27/57/09/1028275709.db2.gz JEHULOSVRCCZEH-UHFFFAOYSA-N 2 2 349.406 4.167 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000346194046 1028319260 /nfs/dbraw/zinc/31/92/60/1028319260.db2.gz XOKNLNMVBZUERY-LJQANCHMSA-N 2 2 338.842 4.176 20 0 EIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000346194046 1028319275 /nfs/dbraw/zinc/31/92/75/1028319275.db2.gz XOKNLNMVBZUERY-LJQANCHMSA-N 2 2 338.842 4.176 20 0 EIADLP CCc1nc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC000155708500 1028491578 /nfs/dbraw/zinc/49/15/78/1028491578.db2.gz QIPSLYAYGRMXGK-CQSZACIVSA-N 2 2 340.496 4.093 20 0 EIADLP COc1ccc(C2([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000346738874 1028631105 /nfs/dbraw/zinc/63/11/05/1028631105.db2.gz BZFXCRRYMCYTIL-INIZCTEOSA-N 2 2 333.435 4.221 20 0 EIADLP FC(F)(F)c1cscc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000356132707 1028667401 /nfs/dbraw/zinc/66/74/01/1028667401.db2.gz VWCVKAXRDUJYCA-MLGOLLRUSA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000356132707 1028667417 /nfs/dbraw/zinc/66/74/17/1028667417.db2.gz VWCVKAXRDUJYCA-MLGOLLRUSA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000356132707 1028667426 /nfs/dbraw/zinc/66/74/26/1028667426.db2.gz VWCVKAXRDUJYCA-MLGOLLRUSA-N 2 2 344.446 4.216 20 0 EIADLP FC(F)(F)c1cscc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000356132707 1028667438 /nfs/dbraw/zinc/66/74/38/1028667438.db2.gz VWCVKAXRDUJYCA-MLGOLLRUSA-N 2 2 344.446 4.216 20 0 EIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000583470540 1028780153 /nfs/dbraw/zinc/78/01/53/1028780153.db2.gz RUJANLVWWDIQDN-IRLDBZIGSA-N 2 2 345.490 4.457 20 0 EIADLP Fc1ccc(Cl)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000445763664 1028884136 /nfs/dbraw/zinc/88/41/36/1028884136.db2.gz CGNZHVWZGXTQJZ-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1Cl ZINC000163231149 1028889815 /nfs/dbraw/zinc/88/98/15/1028889815.db2.gz RXKWAFHKRUIGPK-XYJFISCASA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1Cl ZINC000163231149 1028889816 /nfs/dbraw/zinc/88/98/16/1028889816.db2.gz RXKWAFHKRUIGPK-XYJFISCASA-N 2 2 343.902 4.439 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2c1OC(F)F ZINC000151113142 1029068142 /nfs/dbraw/zinc/06/81/42/1029068142.db2.gz VIHPRYONLFMRIL-AWEZNQCLSA-N 2 2 345.393 4.379 20 0 EIADLP CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000278549700 1029472461 /nfs/dbraw/zinc/47/24/61/1029472461.db2.gz UWSNUHKMKDSFIN-HNNXBMFYSA-N 2 2 339.414 4.261 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)s1 ZINC000151317260 1029475791 /nfs/dbraw/zinc/47/57/91/1029475791.db2.gz VEDRPXTZBQSSPO-CYBMUJFWSA-N 2 2 331.872 4.497 20 0 EIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCC[C@H]3C3CC3)C2)CC1 ZINC000475338287 1029554377 /nfs/dbraw/zinc/55/43/77/1029554377.db2.gz SSYKGRLFIZDXEQ-FOIPXRHGSA-N 2 2 344.465 4.350 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000446841105 1029604825 /nfs/dbraw/zinc/60/48/25/1029604825.db2.gz MBYKNCKGVHTPBK-INMHGKMJSA-N 2 2 326.406 4.205 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000446841105 1029604827 /nfs/dbraw/zinc/60/48/27/1029604827.db2.gz MBYKNCKGVHTPBK-INMHGKMJSA-N 2 2 326.406 4.205 20 0 EIADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCCS2 ZINC000446929451 1029643088 /nfs/dbraw/zinc/64/30/88/1029643088.db2.gz KINAMGROKRXJNU-KRWDZBQOSA-N 2 2 343.496 4.109 20 0 EIADLP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192915453 1029646752 /nfs/dbraw/zinc/64/67/52/1029646752.db2.gz ZGXSYWPWKYSWSJ-INIZCTEOSA-N 2 2 330.435 4.247 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccccn1 ZINC000159149559 1029666399 /nfs/dbraw/zinc/66/63/99/1029666399.db2.gz MENFWDIIJHUCFF-LJQANCHMSA-N 2 2 329.513 4.239 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2ccncc2s1 ZINC000657836461 1029680473 /nfs/dbraw/zinc/68/04/73/1029680473.db2.gz MJJCJVFRHMAAIR-CQSZACIVSA-N 2 2 338.480 4.011 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657836104 1029692526 /nfs/dbraw/zinc/69/25/26/1029692526.db2.gz YFWKOFZHQYBNGB-QGZVFWFLSA-N 2 2 349.478 4.186 20 0 EIADLP Cc1oc2ccccc2c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447094883 1029692826 /nfs/dbraw/zinc/69/28/26/1029692826.db2.gz VNUKPXAXOLSCHY-UHFFFAOYSA-N 2 2 336.435 4.488 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569954 1029805413 /nfs/dbraw/zinc/80/54/13/1029805413.db2.gz MNGOFCAUPQAUOI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569954 1029805417 /nfs/dbraw/zinc/80/54/17/1029805417.db2.gz MNGOFCAUPQAUOI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569954 1029805418 /nfs/dbraw/zinc/80/54/18/1029805418.db2.gz MNGOFCAUPQAUOI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000081569954 1029805419 /nfs/dbraw/zinc/80/54/19/1029805419.db2.gz MNGOFCAUPQAUOI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc2[nH+]1 ZINC000301763945 1029805681 /nfs/dbraw/zinc/80/56/81/1029805681.db2.gz ANWOGOKQYIERNY-UHFFFAOYSA-N 2 2 332.451 4.405 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667897 1029868772 /nfs/dbraw/zinc/86/87/72/1029868772.db2.gz UKLCDZPPUWZODU-HOTGVXAUSA-N 2 2 329.513 4.328 20 0 EIADLP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303218862 1029958233 /nfs/dbraw/zinc/95/82/33/1029958233.db2.gz UKVRNTOVJOBZKQ-HXUWFJFHSA-N 2 2 333.435 4.218 20 0 EIADLP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303218862 1029958244 /nfs/dbraw/zinc/95/82/44/1029958244.db2.gz UKVRNTOVJOBZKQ-HXUWFJFHSA-N 2 2 333.435 4.218 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564592 1029985714 /nfs/dbraw/zinc/98/57/14/1029985714.db2.gz FOTQEIVOZNGNSM-UHFFFAOYSA-N 2 2 333.863 4.067 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564592 1029985747 /nfs/dbraw/zinc/98/57/47/1029985747.db2.gz FOTQEIVOZNGNSM-UHFFFAOYSA-N 2 2 333.863 4.067 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccncc2s1 ZINC000657868436 1029999829 /nfs/dbraw/zinc/99/98/29/1029999829.db2.gz OQNXCAFUOPFKAM-CQSZACIVSA-N 2 2 326.469 4.234 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccncc2s1 ZINC000657868433 1030000540 /nfs/dbraw/zinc/00/05/40/1030000540.db2.gz OQNXCAFUOPFKAM-AWEZNQCLSA-N 2 2 326.469 4.234 20 0 EIADLP CC(C)C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(C)C ZINC001168165341 1030248440 /nfs/dbraw/zinc/24/84/40/1030248440.db2.gz XTRVMDWRIBGDDU-UHFFFAOYSA-N 2 2 345.575 4.203 20 0 EIADLP CC(C)C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(C)C ZINC001168165341 1030248452 /nfs/dbraw/zinc/24/84/52/1030248452.db2.gz XTRVMDWRIBGDDU-UHFFFAOYSA-N 2 2 345.575 4.203 20 0 EIADLP Clc1ccc(/C=C\C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000530335623 1030321444 /nfs/dbraw/zinc/32/14/44/1030321444.db2.gz UZBFMVOWXISUBX-ARJAWSKDSA-N 2 2 327.859 4.325 20 0 EIADLP Fc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1Cl ZINC000526946388 1030339486 /nfs/dbraw/zinc/33/94/86/1030339486.db2.gz NTWFOIIIVZVJEP-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447893707 1030403797 /nfs/dbraw/zinc/40/37/97/1030403797.db2.gz PLPJFSJRWVDXRO-GJZGRUSLSA-N 2 2 335.561 4.183 20 0 EIADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000447893707 1030403808 /nfs/dbraw/zinc/40/38/08/1030403808.db2.gz PLPJFSJRWVDXRO-GJZGRUSLSA-N 2 2 335.561 4.183 20 0 EIADLP COCCCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545512 1030717230 /nfs/dbraw/zinc/71/72/30/1030717230.db2.gz NVSWPJGKOKXLAR-UHFFFAOYSA-N 2 2 349.478 4.301 20 0 EIADLP COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545512 1030717253 /nfs/dbraw/zinc/71/72/53/1030717253.db2.gz NVSWPJGKOKXLAR-UHFFFAOYSA-N 2 2 349.478 4.301 20 0 EIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294477 1030958634 /nfs/dbraw/zinc/95/86/34/1030958634.db2.gz HXKFUFKVWBCVFS-VQTJNVASSA-N 2 2 336.564 4.214 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421840422 1031036872 /nfs/dbraw/zinc/03/68/72/1031036872.db2.gz ZBOFTRMWXUKRCM-PXNSSMCTSA-N 2 2 337.511 4.048 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ncccc1F ZINC000528035367 1031052062 /nfs/dbraw/zinc/05/20/62/1031052062.db2.gz GSJUKVARRIWILE-DSLXNQLJSA-N 2 2 339.458 4.067 20 0 EIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ncccc1F ZINC000528035367 1031052083 /nfs/dbraw/zinc/05/20/83/1031052083.db2.gz GSJUKVARRIWILE-DSLXNQLJSA-N 2 2 339.458 4.067 20 0 EIADLP Cc1cccc(C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)c1 ZINC000532450028 1031088674 /nfs/dbraw/zinc/08/86/74/1031088674.db2.gz FRXUCBYOCGLIBH-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP Cc1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000548885452 1031118916 /nfs/dbraw/zinc/11/89/16/1031118916.db2.gz VRNGOOBCPAMSFI-NRFANRHFSA-N 2 2 337.442 4.490 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312701 1031205159 /nfs/dbraw/zinc/20/51/59/1031205159.db2.gz LXZQIBDEKJULMP-GBESFXJTSA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312701 1031205182 /nfs/dbraw/zinc/20/51/82/1031205182.db2.gz LXZQIBDEKJULMP-GBESFXJTSA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312702 1031205962 /nfs/dbraw/zinc/20/59/62/1031205962.db2.gz LXZQIBDEKJULMP-QYZOEREBSA-N 2 2 327.472 4.168 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000340312702 1031205983 /nfs/dbraw/zinc/20/59/83/1031205983.db2.gz LXZQIBDEKJULMP-QYZOEREBSA-N 2 2 327.472 4.168 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030625 1031365415 /nfs/dbraw/zinc/36/54/15/1031365415.db2.gz SCVFCRIKLKFUMT-KDOFPFPSSA-N 2 2 347.503 4.111 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030625 1031365428 /nfs/dbraw/zinc/36/54/28/1031365428.db2.gz SCVFCRIKLKFUMT-KDOFPFPSSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030625 1031365439 /nfs/dbraw/zinc/36/54/39/1031365439.db2.gz SCVFCRIKLKFUMT-KDOFPFPSSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030625 1031365445 /nfs/dbraw/zinc/36/54/45/1031365445.db2.gz SCVFCRIKLKFUMT-KDOFPFPSSA-N 2 2 347.503 4.111 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030629 1031366908 /nfs/dbraw/zinc/36/69/08/1031366908.db2.gz SCVFCRIKLKFUMT-RDTXWAMCSA-N 2 2 347.503 4.111 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030629 1031366922 /nfs/dbraw/zinc/36/69/22/1031366922.db2.gz SCVFCRIKLKFUMT-RDTXWAMCSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030629 1031366937 /nfs/dbraw/zinc/36/69/37/1031366937.db2.gz SCVFCRIKLKFUMT-RDTXWAMCSA-N 2 2 347.503 4.111 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)[C@H](C)C1 ZINC000449030629 1031366949 /nfs/dbraw/zinc/36/69/49/1031366949.db2.gz SCVFCRIKLKFUMT-RDTXWAMCSA-N 2 2 347.503 4.111 20 0 EIADLP COCC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000449195306 1031514293 /nfs/dbraw/zinc/51/42/93/1031514293.db2.gz UUARKMBBKJPPOL-GRERDSQWSA-N 2 2 341.499 4.036 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449208785 1031534932 /nfs/dbraw/zinc/53/49/32/1031534932.db2.gz OJEXRZQVMCNVSD-INIZCTEOSA-N 2 2 335.451 4.143 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2sccc21 ZINC000453059663 1031549060 /nfs/dbraw/zinc/54/90/60/1031549060.db2.gz MXYZVJDSYSCSSG-PBHICJAKSA-N 2 2 327.497 4.340 20 0 EIADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000453062539 1031554733 /nfs/dbraw/zinc/55/47/33/1031554733.db2.gz UHOXVKAOYZCWOW-DENIHFKCSA-N 2 2 337.511 4.220 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111088 1031604489 /nfs/dbraw/zinc/60/44/89/1031604489.db2.gz AYJPXFRDRPNOQA-IXDOHACOSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000453111088 1031604502 /nfs/dbraw/zinc/60/45/02/1031604502.db2.gz AYJPXFRDRPNOQA-IXDOHACOSA-N 2 2 325.456 4.007 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126340159 1031645368 /nfs/dbraw/zinc/64/53/68/1031645368.db2.gz NZNKSPNOCAWXPN-UGKGYDQZSA-N 2 2 349.522 4.004 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000126340159 1031645372 /nfs/dbraw/zinc/64/53/72/1031645372.db2.gz NZNKSPNOCAWXPN-UGKGYDQZSA-N 2 2 349.522 4.004 20 0 EIADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528587232 1031645862 /nfs/dbraw/zinc/64/58/62/1031645862.db2.gz ZUAOGZOQKGEGBQ-JWTNVVGKSA-N 2 2 329.394 4.025 20 0 EIADLP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528587232 1031645868 /nfs/dbraw/zinc/64/58/68/1031645868.db2.gz ZUAOGZOQKGEGBQ-JWTNVVGKSA-N 2 2 329.394 4.025 20 0 EIADLP c1ccc([C@H]2CCC[C@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000449399376 1031704413 /nfs/dbraw/zinc/70/44/13/1031704413.db2.gz AHQFWNBOPHUTKR-JTHBVZDNSA-N 2 2 349.522 4.220 20 0 EIADLP c1ccc([C@H]2CCC[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449401605 1031704916 /nfs/dbraw/zinc/70/49/16/1031704916.db2.gz NICFFKKYQBKKTE-PZJWPPBQSA-N 2 2 335.495 4.224 20 0 EIADLP CO[C@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000453317707 1031842009 /nfs/dbraw/zinc/84/20/09/1031842009.db2.gz JEDOFCRSYGQXLN-LAUBAEHRSA-N 2 2 335.451 4.085 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C)o1 ZINC000359896150 1031897496 /nfs/dbraw/zinc/89/74/96/1031897496.db2.gz ICBCLRXTJUCAEB-IBGZPJMESA-N 2 2 334.504 4.052 20 0 EIADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368714 1031960096 /nfs/dbraw/zinc/96/00/96/1031960096.db2.gz PIYQWDFTKLYNDK-DYVFJYSZSA-N 2 2 337.389 4.065 20 0 EIADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459368714 1031960102 /nfs/dbraw/zinc/96/01/02/1031960102.db2.gz PIYQWDFTKLYNDK-DYVFJYSZSA-N 2 2 337.389 4.065 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063621 1033303473 /nfs/dbraw/zinc/30/34/73/1033303473.db2.gz NSNJOJZRAQIOIC-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063621 1033303490 /nfs/dbraw/zinc/30/34/90/1033303490.db2.gz NSNJOJZRAQIOIC-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063621 1033303506 /nfs/dbraw/zinc/30/35/06/1033303506.db2.gz NSNJOJZRAQIOIC-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894063621 1033303517 /nfs/dbraw/zinc/30/35/17/1033303517.db2.gz NSNJOJZRAQIOIC-ZDUSSCGKSA-N 2 2 337.920 4.113 20 0 EIADLP C[N@H+](Cc1ccc(Cl)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513457085 1034955676 /nfs/dbraw/zinc/95/56/76/1034955676.db2.gz UWWWSPKLOUJVAM-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513457085 1034955689 /nfs/dbraw/zinc/95/56/89/1034955689.db2.gz UWWWSPKLOUJVAM-UHFFFAOYSA-N 2 2 334.916 4.498 20 0 EIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306932 1036067158 /nfs/dbraw/zinc/06/71/58/1036067158.db2.gz DESQAVJDMQAOEX-SJLPKXTDSA-N 2 2 341.474 4.342 20 0 EIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000502306932 1036067177 /nfs/dbraw/zinc/06/71/77/1036067177.db2.gz DESQAVJDMQAOEX-SJLPKXTDSA-N 2 2 341.474 4.342 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421819309 1036774933 /nfs/dbraw/zinc/77/49/33/1036774933.db2.gz GMYOVZLTWVPCAD-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421895413 1036845442 /nfs/dbraw/zinc/84/54/42/1036845442.db2.gz YNFDDSIUZLYAIH-RDJZCZTQSA-N 2 2 327.497 4.056 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000272355890 1037171427 /nfs/dbraw/zinc/17/14/27/1037171427.db2.gz RJMMXOBPDPJWQW-XYJFISCASA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000272355890 1037171433 /nfs/dbraw/zinc/17/14/33/1037171433.db2.gz RJMMXOBPDPJWQW-XYJFISCASA-N 2 2 343.902 4.296 20 0 EIADLP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272503065 1037205488 /nfs/dbraw/zinc/20/54/88/1037205488.db2.gz DYJXTTVXCJPQSX-UHFFFAOYSA-N 2 2 346.462 4.223 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272869441 1037316348 /nfs/dbraw/zinc/31/63/48/1037316348.db2.gz VZSBRBMIBQBOJW-CRAIPNDOSA-N 2 2 341.524 4.021 20 0 EIADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272869441 1037316366 /nfs/dbraw/zinc/31/63/66/1037316366.db2.gz VZSBRBMIBQBOJW-CRAIPNDOSA-N 2 2 341.524 4.021 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000604415125 1037381897 /nfs/dbraw/zinc/38/18/97/1037381897.db2.gz SSHWAYUOLPOSSD-UHFFFAOYSA-N 2 2 342.458 4.358 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCSC3CCCCC3)C2)n2c1CCCC2 ZINC000503371263 1037714095 /nfs/dbraw/zinc/71/40/95/1037714095.db2.gz HTTVEYFEGLBFRG-QGZVFWFLSA-N 2 2 347.572 4.465 20 0 EIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCSC3CCCCC3)C2)n2c1CCCC2 ZINC000503371263 1037714113 /nfs/dbraw/zinc/71/41/13/1037714113.db2.gz HTTVEYFEGLBFRG-QGZVFWFLSA-N 2 2 347.572 4.465 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436114 1037759219 /nfs/dbraw/zinc/75/92/19/1037759219.db2.gz CRAVVIMVETYWCE-GHTZIAJQSA-N 2 2 335.495 4.476 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000503436114 1037759236 /nfs/dbraw/zinc/75/92/36/1037759236.db2.gz CRAVVIMVETYWCE-GHTZIAJQSA-N 2 2 335.495 4.476 20 0 EIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ccccc21 ZINC000422711486 1037804902 /nfs/dbraw/zinc/80/49/02/1037804902.db2.gz NESNNARUBIRPFE-PKTZIBPZSA-N 3 2 349.522 4.297 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000503572248 1037822199 /nfs/dbraw/zinc/82/21/99/1037822199.db2.gz SLRBROPICRUTPJ-OYEVUCPFSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000503572248 1037822205 /nfs/dbraw/zinc/82/22/05/1037822205.db2.gz SLRBROPICRUTPJ-OYEVUCPFSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000503572248 1037822208 /nfs/dbraw/zinc/82/22/08/1037822208.db2.gz SLRBROPICRUTPJ-OYEVUCPFSA-N 2 2 338.417 4.135 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000503572248 1037822209 /nfs/dbraw/zinc/82/22/09/1037822209.db2.gz SLRBROPICRUTPJ-OYEVUCPFSA-N 2 2 338.417 4.135 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422743174 1037822747 /nfs/dbraw/zinc/82/27/47/1037822747.db2.gz RAEQHQRRCWZGKK-MKBNYLNASA-N 2 2 333.476 4.049 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422866276 1037848950 /nfs/dbraw/zinc/84/89/50/1037848950.db2.gz QAESYJGRNKUTGJ-MOPGFXCFSA-N 2 2 340.467 4.109 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422890618 1037856911 /nfs/dbraw/zinc/85/69/11/1037856911.db2.gz SQJHKMWJXZKWNI-CPUCHLNUSA-N 2 2 329.513 4.218 20 0 EIADLP Clc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccsc2)cc1 ZINC000422942943 1037878709 /nfs/dbraw/zinc/87/87/09/1037878709.db2.gz KZAVCXLHWBMNMQ-WFFDWFOESA-N 2 2 332.900 4.364 20 0 EIADLP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423120671 1037967742 /nfs/dbraw/zinc/96/77/42/1037967742.db2.gz HFLHKPXHENCAJG-KBMXLJTQSA-N 2 2 332.900 4.472 20 0 EIADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)sc1Cl ZINC000423184067 1038016237 /nfs/dbraw/zinc/01/62/37/1038016237.db2.gz HQZJGUMUDVZHRZ-NSHDSACASA-N 2 2 344.311 4.280 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000423240576 1038059572 /nfs/dbraw/zinc/05/95/72/1038059572.db2.gz KRPNLMFZVIOGMF-DNVCBOLYSA-N 2 2 342.483 4.178 20 0 EIADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000423223620 1038065556 /nfs/dbraw/zinc/06/55/56/1038065556.db2.gz GYBJXFOOGMLZLI-LLVKDONJSA-N 2 2 339.302 4.048 20 0 EIADLP CSc1cccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2cc(F)ccc2F)c1 ZINC000423223053 1038066988 /nfs/dbraw/zinc/06/69/88/1038066988.db2.gz DQFSLWXUPHZDQJ-KPZWWZAWSA-N 2 2 336.451 4.103 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2cnc3ccccc3c2)cc1 ZINC000423554220 1038295242 /nfs/dbraw/zinc/29/52/42/1038295242.db2.gz LLXGLKBFUFNXHX-JOCHJYFZSA-N 2 2 349.453 4.195 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172176 1038368519 /nfs/dbraw/zinc/36/85/19/1038368519.db2.gz LOAPYKZTHGOYCZ-CRAIPNDOSA-N 2 2 347.503 4.235 20 0 EIADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000490172176 1038368537 /nfs/dbraw/zinc/36/85/37/1038368537.db2.gz LOAPYKZTHGOYCZ-CRAIPNDOSA-N 2 2 347.503 4.235 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171833 1038369645 /nfs/dbraw/zinc/36/96/45/1038369645.db2.gz ISDGUIRBPJWVAS-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171833 1038369662 /nfs/dbraw/zinc/36/96/62/1038369662.db2.gz ISDGUIRBPJWVAS-MGPUTAFESA-N 2 2 346.877 4.500 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000424162334 1038698184 /nfs/dbraw/zinc/69/81/84/1038698184.db2.gz WQOPITHUXGZLFX-QGZVFWFLSA-N 2 2 326.488 4.451 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000424162334 1038698193 /nfs/dbraw/zinc/69/81/93/1038698193.db2.gz WQOPITHUXGZLFX-QGZVFWFLSA-N 2 2 326.488 4.451 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480757528 1038800102 /nfs/dbraw/zinc/80/01/02/1038800102.db2.gz LUIRLQWZTIHAHY-UPJWGTAASA-N 2 2 342.270 4.024 20 0 EIADLP CC(C)Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000480773302 1038810284 /nfs/dbraw/zinc/81/02/84/1038810284.db2.gz JDJLPFJGKMCDQQ-QGZVFWFLSA-N 2 2 325.500 4.311 20 0 EIADLP CC[N@H+](Cc1ccccn1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000537628507 1039064388 /nfs/dbraw/zinc/06/43/88/1039064388.db2.gz OFASUNSLECRPIC-UHFFFAOYSA-N 2 2 325.500 4.062 20 0 EIADLP CC[N@@H+](Cc1ccccn1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000537628507 1039064403 /nfs/dbraw/zinc/06/44/03/1039064403.db2.gz OFASUNSLECRPIC-UHFFFAOYSA-N 2 2 325.500 4.062 20 0 EIADLP CC[NH+](Cc1ccccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000537628507 1039064423 /nfs/dbraw/zinc/06/44/23/1039064423.db2.gz OFASUNSLECRPIC-UHFFFAOYSA-N 2 2 325.500 4.062 20 0 EIADLP CC[NH+](Cc1ccccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000537628507 1039064440 /nfs/dbraw/zinc/06/44/40/1039064440.db2.gz OFASUNSLECRPIC-UHFFFAOYSA-N 2 2 325.500 4.062 20 0 EIADLP C[NH+](CCC[N@@H+](C)CC1CCC(C(F)(F)F)CC1)Cc1ccco1 ZINC000552058429 1039078290 /nfs/dbraw/zinc/07/82/90/1039078290.db2.gz IYRVGWVDIIJGDR-UHFFFAOYSA-N 2 2 346.437 4.402 20 0 EIADLP C[NH+](CCC[N@H+](C)CC1CCC(C(F)(F)F)CC1)Cc1ccco1 ZINC000552058429 1039078311 /nfs/dbraw/zinc/07/83/11/1039078311.db2.gz IYRVGWVDIIJGDR-UHFFFAOYSA-N 2 2 346.437 4.402 20 0 EIADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCC(C(F)(F)F)CC1 ZINC000552058429 1039078330 /nfs/dbraw/zinc/07/83/30/1039078330.db2.gz IYRVGWVDIIJGDR-UHFFFAOYSA-N 2 2 346.437 4.402 20 0 EIADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCC(C(F)(F)F)CC1 ZINC000552058429 1039078355 /nfs/dbraw/zinc/07/83/55/1039078355.db2.gz IYRVGWVDIIJGDR-UHFFFAOYSA-N 2 2 346.437 4.402 20 0 EIADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000090176731 1039188922 /nfs/dbraw/zinc/18/89/22/1039188922.db2.gz VOQMIRUUVRAFLP-YWZLYKJASA-N 2 2 339.414 4.050 20 0 EIADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000090403274 1039224736 /nfs/dbraw/zinc/22/47/36/1039224736.db2.gz STQSARRYNSUCDB-OAHLLOKOSA-N 2 2 329.513 4.075 20 0 EIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667392 1039274933 /nfs/dbraw/zinc/27/49/33/1039274933.db2.gz UCOXMCHUBGJWPQ-DYESRHJHSA-N 2 2 338.499 4.133 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1COc2ccccc21 ZINC000090845072 1039310182 /nfs/dbraw/zinc/31/01/82/1039310182.db2.gz KAPKFWBBRXXMSH-YRNRMSPPSA-N 2 2 333.435 4.088 20 0 EIADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347172 1039453460 /nfs/dbraw/zinc/45/34/60/1039453460.db2.gz HILYAGPYAAWHLF-LNXHZJMOSA-N 2 2 332.919 4.392 20 0 EIADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347172 1039453490 /nfs/dbraw/zinc/45/34/90/1039453490.db2.gz HILYAGPYAAWHLF-LNXHZJMOSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347172 1039453525 /nfs/dbraw/zinc/45/35/25/1039453525.db2.gz HILYAGPYAAWHLF-LNXHZJMOSA-N 2 2 332.919 4.392 20 0 EIADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001168347172 1039453550 /nfs/dbraw/zinc/45/35/50/1039453550.db2.gz HILYAGPYAAWHLF-LNXHZJMOSA-N 2 2 332.919 4.392 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545550 1039605318 /nfs/dbraw/zinc/60/53/18/1039605318.db2.gz YVUZWWQAHSCYJJ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545550 1039605341 /nfs/dbraw/zinc/60/53/41/1039605341.db2.gz YVUZWWQAHSCYJJ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545550 1039605352 /nfs/dbraw/zinc/60/53/52/1039605352.db2.gz YVUZWWQAHSCYJJ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545550 1039605385 /nfs/dbraw/zinc/60/53/85/1039605385.db2.gz YVUZWWQAHSCYJJ-HNNXBMFYSA-N 2 2 341.326 4.200 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1 ZINC000414848987 1039728587 /nfs/dbraw/zinc/72/85/87/1039728587.db2.gz QKVJSFDECZAEFR-OAQYLSRUSA-N 2 2 348.494 4.000 20 0 EIADLP FC1(F)CCC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000514232735 1039788043 /nfs/dbraw/zinc/78/80/43/1039788043.db2.gz PRNIBHJCHRBAPL-QGZVFWFLSA-N 2 2 325.447 4.201 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748084 1039858516 /nfs/dbraw/zinc/85/85/16/1039858516.db2.gz SGPDMFOHMWTRQK-NYVOZVTQSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748084 1039858517 /nfs/dbraw/zinc/85/85/17/1039858517.db2.gz SGPDMFOHMWTRQK-NYVOZVTQSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@@H](CCc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748084 1039858518 /nfs/dbraw/zinc/85/85/18/1039858518.db2.gz SGPDMFOHMWTRQK-NYVOZVTQSA-N 2 2 337.511 4.028 20 0 EIADLP C[C@@H](CCc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748084 1039858520 /nfs/dbraw/zinc/85/85/20/1039858520.db2.gz SGPDMFOHMWTRQK-NYVOZVTQSA-N 2 2 337.511 4.028 20 0 EIADLP CC[N@H+](C[C@H]1CCC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000551068077 1039952331 /nfs/dbraw/zinc/95/23/31/1039952331.db2.gz UFPJEZLUPOOENR-KRWDZBQOSA-N 2 2 337.458 4.055 20 0 EIADLP CC[N@@H+](C[C@H]1CCC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000551068077 1039952349 /nfs/dbraw/zinc/95/23/49/1039952349.db2.gz UFPJEZLUPOOENR-KRWDZBQOSA-N 2 2 337.458 4.055 20 0 EIADLP Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)[nH+]1 ZINC000553111898 1039980995 /nfs/dbraw/zinc/98/09/95/1039980995.db2.gz APUFQOLLALWFFB-UHFFFAOYSA-N 2 2 337.467 4.245 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000482135644 1040028104 /nfs/dbraw/zinc/02/81/04/1040028104.db2.gz ODFNROSEDGNLCP-YESZJQIVSA-N 2 2 329.488 4.379 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000479143313 1040161825 /nfs/dbraw/zinc/16/18/25/1040161825.db2.gz OHAZVOMQRMWYCE-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP Clc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511427 1040271118 /nfs/dbraw/zinc/27/11/18/1040271118.db2.gz WQTVOWMWQJPLQO-KSSFIOAISA-N 2 2 341.886 4.341 20 0 EIADLP Clc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc[nH+]c12 ZINC000553511427 1040271136 /nfs/dbraw/zinc/27/11/36/1040271136.db2.gz WQTVOWMWQJPLQO-KSSFIOAISA-N 2 2 341.886 4.341 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479459983 1040367437 /nfs/dbraw/zinc/36/74/37/1040367437.db2.gz YQVHPBQEYONQFF-FXAWDEMLSA-N 2 2 342.531 4.016 20 0 EIADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000539500185 1040491842 /nfs/dbraw/zinc/49/18/42/1040491842.db2.gz SUNXDKTXYPBGRC-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP Fc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000435782570 1040631294 /nfs/dbraw/zinc/63/12/94/1040631294.db2.gz PRIMDHKUSFWBGV-HDJSIYSDSA-N 2 2 327.428 4.109 20 0 EIADLP Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539658507 1040656273 /nfs/dbraw/zinc/65/62/73/1040656273.db2.gz AOXGSVFCPCAJLU-MJGOQNOKSA-N 2 2 338.499 4.012 20 0 EIADLP C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483131889 1040723130 /nfs/dbraw/zinc/72/31/30/1040723130.db2.gz SNATVOMVGDJVFR-KRWDZBQOSA-N 2 2 335.451 4.381 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247784 1040784400 /nfs/dbraw/zinc/78/44/00/1040784400.db2.gz YLHPHEHXKIPWDO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247784 1040784427 /nfs/dbraw/zinc/78/44/27/1040784427.db2.gz YLHPHEHXKIPWDO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247784 1040784449 /nfs/dbraw/zinc/78/44/49/1040784449.db2.gz YLHPHEHXKIPWDO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000483247784 1040784472 /nfs/dbraw/zinc/78/44/72/1040784472.db2.gz YLHPHEHXKIPWDO-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000515557663 1040865846 /nfs/dbraw/zinc/86/58/46/1040865846.db2.gz YWWFALBORGHQAA-KRWDZBQOSA-N 2 2 337.442 4.181 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CCc1ccccc1)C(C)C)CCC2 ZINC000483457722 1040866051 /nfs/dbraw/zinc/86/60/51/1040866051.db2.gz AMAVCUNXXWRXGA-PMACEKPBSA-N 2 2 325.500 4.316 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(C(F)(F)F)c1 ZINC000924646546 1040866707 /nfs/dbraw/zinc/86/67/07/1040866707.db2.gz UUMOEZGXHJWZKX-NSHDSACASA-N 2 2 343.418 4.193 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCC)c1 ZINC000483717597 1040974205 /nfs/dbraw/zinc/97/42/05/1040974205.db2.gz XUGYFHSQBQDULL-OKZBNKHCSA-N 2 2 348.531 4.398 20 0 EIADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCC)c1 ZINC000483717597 1040974230 /nfs/dbraw/zinc/97/42/30/1040974230.db2.gz XUGYFHSQBQDULL-OKZBNKHCSA-N 2 2 348.531 4.398 20 0 EIADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000480144603 1041003892 /nfs/dbraw/zinc/00/38/92/1041003892.db2.gz WSQRKFXNYIJUFE-INIZCTEOSA-N 2 2 329.513 4.337 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000436271038 1041041696 /nfs/dbraw/zinc/04/16/96/1041041696.db2.gz CHAZDNTVIFBZHI-GOTSBHOMSA-N 2 2 345.490 4.432 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1 ZINC000480201676 1041075321 /nfs/dbraw/zinc/07/53/21/1041075321.db2.gz QLCYOTKYFRJTLT-HOTGVXAUSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000480201676 1041075339 /nfs/dbraw/zinc/07/53/39/1041075339.db2.gz QLCYOTKYFRJTLT-HOTGVXAUSA-N 2 2 331.891 4.296 20 0 EIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899269 1041079626 /nfs/dbraw/zinc/07/96/26/1041079626.db2.gz XLEDDHJSCARDBR-CABCVRRESA-N 2 2 347.503 4.332 20 0 EIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899269 1041079635 /nfs/dbraw/zinc/07/96/35/1041079635.db2.gz XLEDDHJSCARDBR-CABCVRRESA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000484129919 1041128320 /nfs/dbraw/zinc/12/83/20/1041128320.db2.gz MBPJZANQTVWBGH-INIZCTEOSA-N 2 2 335.426 4.394 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000484180322 1041155956 /nfs/dbraw/zinc/15/59/56/1041155956.db2.gz TXDXPMYBEZGDCY-YOUFYPILSA-N 2 2 344.543 4.301 20 0 EIADLP COc1ccc2oc([C@H](C)[NH2+]CCCNc3cccc[nH+]3)c(C)c2c1 ZINC000484305081 1041192036 /nfs/dbraw/zinc/19/20/36/1041192036.db2.gz UMBALGDVJGJIRE-HNNXBMFYSA-N 2 2 339.439 4.298 20 0 EIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463027186 1041236264 /nfs/dbraw/zinc/23/62/64/1041236264.db2.gz FUZKRXQPURESBI-SJORKVTESA-N 2 2 337.389 4.425 20 0 EIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463027186 1041236278 /nfs/dbraw/zinc/23/62/78/1041236278.db2.gz FUZKRXQPURESBI-SJORKVTESA-N 2 2 337.389 4.425 20 0 EIADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484490472 1041262744 /nfs/dbraw/zinc/26/27/44/1041262744.db2.gz QPFWXCYCYYFUCS-QAPCUYQASA-N 2 2 338.586 4.275 20 0 EIADLP CC1(c2ccccc2)CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000436468707 1041268207 /nfs/dbraw/zinc/26/82/07/1041268207.db2.gz BCHIJFYANGFUMB-UHFFFAOYSA-N 2 2 345.490 4.184 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000480561310 1041394308 /nfs/dbraw/zinc/39/43/08/1041394308.db2.gz XZJSUUJQFADUHC-GOSISDBHSA-N 2 2 345.490 4.313 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc3cc[nH]c32)CC1 ZINC000516117302 1041406668 /nfs/dbraw/zinc/40/66/68/1041406668.db2.gz AGLLGOCNZVYLPC-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc3cc[nH]c32)CC1 ZINC000516117302 1041406673 /nfs/dbraw/zinc/40/66/73/1041406673.db2.gz AGLLGOCNZVYLPC-UHFFFAOYSA-N 2 2 333.479 4.264 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463208589 1041419400 /nfs/dbraw/zinc/41/94/00/1041419400.db2.gz XOVOXKNCPMLHOB-UNMCSNQZSA-N 3 2 345.575 4.138 20 0 EIADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000463208589 1041419405 /nfs/dbraw/zinc/41/94/05/1041419405.db2.gz XOVOXKNCPMLHOB-UNMCSNQZSA-N 3 2 345.575 4.138 20 0 EIADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000554856675 1041457148 /nfs/dbraw/zinc/45/71/48/1041457148.db2.gz YVNJUAJHGXCUPI-AWEZNQCLSA-N 2 2 325.378 4.075 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516218496 1041457487 /nfs/dbraw/zinc/45/74/87/1041457487.db2.gz CBAVSCOKIOVHRJ-OPAMFIHVSA-N 2 2 349.453 4.484 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720456 1041490563 /nfs/dbraw/zinc/49/05/63/1041490563.db2.gz ZUOKHHBUDKNIRF-UKRRQHHQSA-N 2 2 335.542 4.176 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720456 1041490567 /nfs/dbraw/zinc/49/05/67/1041490567.db2.gz ZUOKHHBUDKNIRF-UKRRQHHQSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720456 1041490572 /nfs/dbraw/zinc/49/05/72/1041490572.db2.gz ZUOKHHBUDKNIRF-UKRRQHHQSA-N 2 2 335.542 4.176 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)C[C@H]1C ZINC000538720456 1041490580 /nfs/dbraw/zinc/49/05/80/1041490580.db2.gz ZUOKHHBUDKNIRF-UKRRQHHQSA-N 2 2 335.542 4.176 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000480755034 1041511222 /nfs/dbraw/zinc/51/12/22/1041511222.db2.gz ZVRCMPGJTGTWRR-ZIAGYGMSSA-N 2 2 329.444 4.490 20 0 EIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000437096527 1041642578 /nfs/dbraw/zinc/64/25/78/1041642578.db2.gz MLGOGRMVKSQVIS-CWFSZBLJSA-N 2 2 346.490 4.282 20 0 EIADLP CC[C@@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536593 1041998821 /nfs/dbraw/zinc/99/88/21/1041998821.db2.gz CWDFCQMVGIDHCD-UXHICEINSA-N 2 2 343.559 4.237 20 0 EIADLP CC[C@@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000541536593 1041998825 /nfs/dbraw/zinc/99/88/25/1041998825.db2.gz CWDFCQMVGIDHCD-UXHICEINSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@@H]1CCC[C@H](CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876468 1042216830 /nfs/dbraw/zinc/21/68/30/1042216830.db2.gz GKLPGVYXVSXKMZ-WOJBJXKFSA-N 2 2 343.559 4.237 20 0 EIADLP C[C@@H]1CCC[C@H](CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000464876468 1042216835 /nfs/dbraw/zinc/21/68/35/1042216835.db2.gz GKLPGVYXVSXKMZ-WOJBJXKFSA-N 2 2 343.559 4.237 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000506343666 1042338914 /nfs/dbraw/zinc/33/89/14/1042338914.db2.gz UDOHDMYSBMXJAK-UHFFFAOYSA-N 2 2 335.542 4.176 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000506343666 1042338922 /nfs/dbraw/zinc/33/89/22/1042338922.db2.gz UDOHDMYSBMXJAK-UHFFFAOYSA-N 2 2 335.542 4.176 20 0 EIADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542311548 1042380995 /nfs/dbraw/zinc/38/09/95/1042380995.db2.gz OMRNVAANGTUAIR-OLZOCXBDSA-N 2 2 343.418 4.392 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000669932566 1042408618 /nfs/dbraw/zinc/40/86/18/1042408618.db2.gz WCEPDLPRMBGIEO-APWZRJJASA-N 2 2 325.456 4.015 20 0 EIADLP FC1(F)CCCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000491560693 1042466333 /nfs/dbraw/zinc/46/63/33/1042466333.db2.gz PUAZCPNZODTDDV-ZDUSSCGKSA-N 2 2 325.428 4.239 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000506466648 1042470521 /nfs/dbraw/zinc/47/05/21/1042470521.db2.gz NJSZIJZIHUGMPY-UHFFFAOYSA-N 2 2 342.458 4.454 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cc1 ZINC000174861628 1042716477 /nfs/dbraw/zinc/71/64/77/1042716477.db2.gz CVOVNMFEYCKOOI-INIZCTEOSA-N 2 2 343.540 4.317 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cc1 ZINC000174861628 1042716484 /nfs/dbraw/zinc/71/64/84/1042716484.db2.gz CVOVNMFEYCKOOI-INIZCTEOSA-N 2 2 343.540 4.317 20 0 EIADLP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000493929751 1042984575 /nfs/dbraw/zinc/98/45/75/1042984575.db2.gz ZPYYEKYRGAKMIE-RYHLMMNBSA-N 2 2 347.462 4.271 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006157 1042994913 /nfs/dbraw/zinc/99/49/13/1042994913.db2.gz MEFFNJXUYHYRSN-CWPLJXCYSA-N 2 2 344.449 4.496 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006157 1042994923 /nfs/dbraw/zinc/99/49/23/1042994923.db2.gz MEFFNJXUYHYRSN-CWPLJXCYSA-N 2 2 344.449 4.496 20 0 EIADLP C[C@H]1CC([NH2+]Cc2ccccc2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007809 1043022996 /nfs/dbraw/zinc/02/29/96/1043022996.db2.gz UVKKQDRYDMCEEE-IRXDYDNUSA-N 2 2 326.459 4.357 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2ccccc2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007807 1043023203 /nfs/dbraw/zinc/02/32/03/1043023203.db2.gz UVKKQDRYDMCEEE-IAGOWNOFSA-N 2 2 326.459 4.357 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccccc2)cc1 ZINC000427861398 1043236962 /nfs/dbraw/zinc/23/69/62/1043236962.db2.gz SSRPSGKVXAPIDF-XLIONFOSSA-N 2 2 347.462 4.128 20 0 EIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1)CC2 ZINC000427868507 1043241801 /nfs/dbraw/zinc/24/18/01/1043241801.db2.gz QQMMUZCNJXEFRC-LEWJYISDSA-N 2 2 331.463 4.162 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186187927 1043253943 /nfs/dbraw/zinc/25/39/43/1043253943.db2.gz DSSNKPQTTZIBDU-XYJFISCASA-N 2 2 344.524 4.460 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186187927 1043253949 /nfs/dbraw/zinc/25/39/49/1043253949.db2.gz DSSNKPQTTZIBDU-XYJFISCASA-N 2 2 344.524 4.460 20 0 EIADLP C[C@@H](CC[N@@H+]1CCc2ccsc2C1)[NH+]1CCc2ccsc2C1 ZINC000534864307 1043301614 /nfs/dbraw/zinc/30/16/14/1043301614.db2.gz DKOLGQAHLYEQCH-AWEZNQCLSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@@H](CC[N@H+]1CCc2ccsc2C1)[NH+]1CCc2ccsc2C1 ZINC000534864307 1043301620 /nfs/dbraw/zinc/30/16/20/1043301620.db2.gz DKOLGQAHLYEQCH-AWEZNQCLSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@@H](CC[NH+]1CCc2ccsc2C1)[N@@H+]1CCc2ccsc2C1 ZINC000534864307 1043301626 /nfs/dbraw/zinc/30/16/26/1043301626.db2.gz DKOLGQAHLYEQCH-AWEZNQCLSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@@H](CC[NH+]1CCc2ccsc2C1)[N@H+]1CCc2ccsc2C1 ZINC000534864307 1043301632 /nfs/dbraw/zinc/30/16/32/1043301632.db2.gz DKOLGQAHLYEQCH-AWEZNQCLSA-N 2 2 332.538 4.005 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479629 1043385887 /nfs/dbraw/zinc/38/58/87/1043385887.db2.gz VYJCMLZZIVLIDK-LAUBAEHRSA-N 2 2 341.474 4.164 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000542479629 1043385890 /nfs/dbraw/zinc/38/58/90/1043385890.db2.gz VYJCMLZZIVLIDK-LAUBAEHRSA-N 2 2 341.474 4.164 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2cccnc2Cl)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012534 1043427127 /nfs/dbraw/zinc/42/71/27/1043427127.db2.gz BSRVQDQBFQFCMR-HZPDHXFCSA-N 2 2 343.902 4.266 20 0 EIADLP CCCc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000494383008 1043459834 /nfs/dbraw/zinc/45/98/34/1043459834.db2.gz GEYWBAYMWGFJAL-UHFFFAOYSA-N 2 2 344.459 4.019 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccccc1C1CC1)c1ccccc1 ZINC000674335757 1043610230 /nfs/dbraw/zinc/61/02/30/1043610230.db2.gz QITWQHXQOGKWNG-OAQYLSRUSA-N 2 2 331.463 4.371 20 0 EIADLP c1ccc([C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[NH+]2CCCC2)cc1 ZINC000442643566 1043790040 /nfs/dbraw/zinc/79/00/40/1043790040.db2.gz GLTTWJFPTYCPKN-FDDCHVKYSA-N 2 2 345.490 4.062 20 0 EIADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442651994 1043797645 /nfs/dbraw/zinc/79/76/45/1043797645.db2.gz QWMRJLXAJWTLMT-GOEBONIOSA-N 2 2 328.422 4.271 20 0 EIADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442651995 1043798650 /nfs/dbraw/zinc/79/86/50/1043798650.db2.gz QWMRJLXAJWTLMT-HOCLYGCPSA-N 2 2 328.422 4.271 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000474036570 1043837365 /nfs/dbraw/zinc/83/73/65/1043837365.db2.gz PBPBSNFNLCCPJE-HXUWFJFHSA-N 2 2 347.462 4.393 20 0 EIADLP COc1ccccc1C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192100358 1043873137 /nfs/dbraw/zinc/87/31/37/1043873137.db2.gz JUUOZYUMTKVAMX-UHFFFAOYSA-N 2 2 335.451 4.214 20 0 EIADLP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000442855446 1043875667 /nfs/dbraw/zinc/87/56/67/1043875667.db2.gz QAIOUDWWEDBPBA-DJIMGWMZSA-N 2 2 349.400 4.143 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)cc1 ZINC000192163626 1043886586 /nfs/dbraw/zinc/88/65/86/1043886586.db2.gz UUKKTCLMLQJMEJ-QFIPXVFZSA-N 2 2 347.462 4.430 20 0 EIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000225248985 1043906315 /nfs/dbraw/zinc/90/63/15/1043906315.db2.gz USLKQACTYXMBKQ-UHFFFAOYSA-N 2 2 345.712 4.067 20 0 EIADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474047368 1044291509 /nfs/dbraw/zinc/29/15/09/1044291509.db2.gz VXSBXWMLPNHRQR-UHFFFAOYSA-N 2 2 342.483 4.328 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000474048869 1044306329 /nfs/dbraw/zinc/30/63/29/1044306329.db2.gz UFNVVHKKEZQYFX-LJQANCHMSA-N 2 2 339.483 4.295 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)cc1 ZINC000347965296 1044343177 /nfs/dbraw/zinc/34/31/77/1044343177.db2.gz REWVWBDHCSRRCX-QGZVFWFLSA-N 2 2 340.515 4.096 20 0 EIADLP C[C@@H]1CC([NH2+][C@@H]2COc3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020846 1044398969 /nfs/dbraw/zinc/39/89/69/1044398969.db2.gz NXYIKSVZONJHTI-CBGDNZLLSA-N 2 2 336.479 4.151 20 0 EIADLP C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000675726824 1044461470 /nfs/dbraw/zinc/46/14/70/1044461470.db2.gz DDTOUMZARISAAI-FZKQIMNGSA-N 2 2 339.826 4.310 20 0 EIADLP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000675731388 1044463931 /nfs/dbraw/zinc/46/39/31/1044463931.db2.gz GUWXJPVEZVMGBB-INIZCTEOSA-N 2 2 346.515 4.152 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000494915351 1044496140 /nfs/dbraw/zinc/49/61/40/1044496140.db2.gz OBZPEUUZIRMLJI-MRXNPFEDSA-N 2 2 331.872 4.172 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)cc(F)c1 ZINC000675918212 1044560683 /nfs/dbraw/zinc/56/06/83/1044560683.db2.gz FHFYBBNPHSAOSE-KUHUBIRLSA-N 2 2 341.405 4.333 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000675921696 1044563714 /nfs/dbraw/zinc/56/37/14/1044563714.db2.gz MTQDVUIDJGHOPB-MSOLQXFVSA-N 2 2 337.492 4.433 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025312 1044642083 /nfs/dbraw/zinc/64/20/83/1044642083.db2.gz JIYBNMRSBPWCMS-OPVJXMOQSA-N 2 2 337.511 4.348 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025312 1044642092 /nfs/dbraw/zinc/64/20/92/1044642092.db2.gz JIYBNMRSBPWCMS-OPVJXMOQSA-N 2 2 337.511 4.348 20 0 EIADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)sc2c1 ZINC000428862495 1044755920 /nfs/dbraw/zinc/75/59/20/1044755920.db2.gz UTWFKCITZKLLFG-UHFFFAOYSA-N 2 2 347.503 4.180 20 0 EIADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203156 1044786509 /nfs/dbraw/zinc/78/65/09/1044786509.db2.gz UVQRITFALGIGBB-KSSFIOAISA-N 2 2 330.859 4.126 20 0 EIADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203156 1044786523 /nfs/dbraw/zinc/78/65/23/1044786523.db2.gz UVQRITFALGIGBB-KSSFIOAISA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203156 1044786540 /nfs/dbraw/zinc/78/65/40/1044786540.db2.gz UVQRITFALGIGBB-KSSFIOAISA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]2C1 ZINC000495203156 1044786565 /nfs/dbraw/zinc/78/65/65/1044786565.db2.gz UVQRITFALGIGBB-KSSFIOAISA-N 2 2 330.859 4.126 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000895554318 1044808783 /nfs/dbraw/zinc/80/87/83/1044808783.db2.gz WEOKXVUFAGHUIQ-UHFFFAOYSA-N 2 2 327.472 4.058 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000676644494 1044812724 /nfs/dbraw/zinc/81/27/24/1044812724.db2.gz VUKHXICGCBBJJR-PRPIBZDOSA-N 2 2 335.426 4.146 20 0 EIADLP CCc1ccc2ccccc2c1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922716751 1044899183 /nfs/dbraw/zinc/89/91/83/1044899183.db2.gz RDMGOJDHIAAFMW-UHFFFAOYSA-N 2 2 339.508 4.210 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766216643 1044918312 /nfs/dbraw/zinc/91/83/12/1044918312.db2.gz QIFRNMNKEDZGCW-LAUBAEHRSA-N 2 2 326.459 4.134 20 0 EIADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766216643 1044918325 /nfs/dbraw/zinc/91/83/25/1044918325.db2.gz QIFRNMNKEDZGCW-LAUBAEHRSA-N 2 2 326.459 4.134 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000390577817 1044954204 /nfs/dbraw/zinc/95/42/04/1044954204.db2.gz DEQWIAPFUMJCPU-NHCUHLMSSA-N 2 2 349.522 4.349 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000390577817 1044954218 /nfs/dbraw/zinc/95/42/18/1044954218.db2.gz DEQWIAPFUMJCPU-NHCUHLMSSA-N 2 2 349.522 4.349 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000474467393 1045017897 /nfs/dbraw/zinc/01/78/97/1045017897.db2.gz DYHCUKCINPWGOU-OAGGEKHMSA-N 2 2 331.529 4.110 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000474467393 1045017910 /nfs/dbraw/zinc/01/79/10/1045017910.db2.gz DYHCUKCINPWGOU-OAGGEKHMSA-N 2 2 331.529 4.110 20 0 EIADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000393414973 1045471734 /nfs/dbraw/zinc/47/17/34/1045471734.db2.gz IAWBBJOVURFZTG-HXUWFJFHSA-N 2 2 327.447 4.176 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246818803 1045832080 /nfs/dbraw/zinc/83/20/80/1045832080.db2.gz RHCXCGHKTMYJSZ-QFBILLFUSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246818803 1045832082 /nfs/dbraw/zinc/83/20/82/1045832082.db2.gz RHCXCGHKTMYJSZ-QFBILLFUSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246818803 1045832083 /nfs/dbraw/zinc/83/20/83/1045832083.db2.gz RHCXCGHKTMYJSZ-QFBILLFUSA-N 2 2 345.556 4.249 20 0 EIADLP c1nc(C2CCCC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246818803 1045832089 /nfs/dbraw/zinc/83/20/89/1045832089.db2.gz RHCXCGHKTMYJSZ-QFBILLFUSA-N 2 2 345.556 4.249 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170290602 1045993427 /nfs/dbraw/zinc/99/34/27/1045993427.db2.gz DHLFLABGLULSHA-RDJZCZTQSA-N 2 2 330.859 4.128 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170290602 1045993429 /nfs/dbraw/zinc/99/34/29/1045993429.db2.gz DHLFLABGLULSHA-RDJZCZTQSA-N 2 2 330.859 4.128 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328249745 1045999365 /nfs/dbraw/zinc/99/93/65/1045999365.db2.gz SIMUUAXZGXHLMQ-MAUKXSAKSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328249745 1045999379 /nfs/dbraw/zinc/99/93/79/1045999379.db2.gz SIMUUAXZGXHLMQ-MAUKXSAKSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769544094 1046011564 /nfs/dbraw/zinc/01/15/64/1046011564.db2.gz SWCWNJNHIATXQK-MRXNPFEDSA-N 2 2 331.504 4.029 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769544094 1046011548 /nfs/dbraw/zinc/01/15/48/1046011548.db2.gz SWCWNJNHIATXQK-MRXNPFEDSA-N 2 2 331.504 4.029 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000037156130 1046019505 /nfs/dbraw/zinc/01/95/05/1046019505.db2.gz RICUFHPUUGICGW-AWEZNQCLSA-N 2 2 326.271 4.394 20 0 EIADLP CCc1ccc([C@@H](C[NH2+]C2CC(CF)(CF)C2)[NH+](CC)CC)cc1 ZINC001206046940 1046024075 /nfs/dbraw/zinc/02/40/75/1046024075.db2.gz BFEPJRYCKCXCSP-LJQANCHMSA-N 2 2 338.486 4.309 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000769871882 1046099594 /nfs/dbraw/zinc/09/95/94/1046099594.db2.gz DAOIQLQPGIKADC-INIZCTEOSA-N 2 2 341.499 4.169 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000769871199 1046100481 /nfs/dbraw/zinc/10/04/81/1046100481.db2.gz DAVRMRXHUPJODJ-JKSUJKDBSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000769871199 1046100487 /nfs/dbraw/zinc/10/04/87/1046100487.db2.gz DAVRMRXHUPJODJ-JKSUJKDBSA-N 2 2 329.488 4.107 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000769875273 1046103268 /nfs/dbraw/zinc/10/32/68/1046103268.db2.gz OSUGVTOBJGNTFE-ZBQZNYHESA-N 2 2 347.528 4.341 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000769875273 1046103272 /nfs/dbraw/zinc/10/32/72/1046103272.db2.gz OSUGVTOBJGNTFE-ZBQZNYHESA-N 2 2 347.528 4.341 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cn1 ZINC000763396393 1046127226 /nfs/dbraw/zinc/12/72/26/1046127226.db2.gz STDUHUDAXCVUJX-SFHVURJKSA-N 2 2 338.842 4.006 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649392 1046151927 /nfs/dbraw/zinc/15/19/27/1046151927.db2.gz WHLOMIRQZIBITL-QWRGUYRKSA-N 2 2 331.262 4.267 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000037649392 1046151934 /nfs/dbraw/zinc/15/19/34/1046151934.db2.gz WHLOMIRQZIBITL-QWRGUYRKSA-N 2 2 331.262 4.267 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126666965 1046512353 /nfs/dbraw/zinc/51/23/53/1046512353.db2.gz QYSWTQDKJYIKFX-GFCCVEGCSA-N 2 2 343.284 4.112 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000536661961 1046631237 /nfs/dbraw/zinc/63/12/37/1046631237.db2.gz JKENQNLPXJFYDB-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000536661961 1046631242 /nfs/dbraw/zinc/63/12/42/1046631242.db2.gz JKENQNLPXJFYDB-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000536661961 1046631252 /nfs/dbraw/zinc/63/12/52/1046631252.db2.gz JKENQNLPXJFYDB-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000536661961 1046631267 /nfs/dbraw/zinc/63/12/67/1046631267.db2.gz JKENQNLPXJFYDB-UTKZUKDTSA-N 2 2 338.495 4.277 20 0 EIADLP C[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000127577963 1046701128 /nfs/dbraw/zinc/70/11/28/1046701128.db2.gz YGTXHIAXEOYMQH-QGZVFWFLSA-N 2 2 337.442 4.006 20 0 EIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000785537152 1046705140 /nfs/dbraw/zinc/70/51/40/1046705140.db2.gz MIZLRPOUTQKRGC-INIZCTEOSA-N 2 2 339.405 4.415 20 0 EIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC1CCOCC1 ZINC000379621530 1046714510 /nfs/dbraw/zinc/71/45/10/1046714510.db2.gz FQSKPITUORRMEO-UHFFFAOYSA-N 2 2 332.532 4.084 20 0 EIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC1CCOCC1 ZINC000379621530 1046714527 /nfs/dbraw/zinc/71/45/27/1046714527.db2.gz FQSKPITUORRMEO-UHFFFAOYSA-N 2 2 332.532 4.084 20 0 EIADLP C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000785569958 1046721518 /nfs/dbraw/zinc/72/15/18/1046721518.db2.gz LZFWODSJUIFTOC-ROUUACIJSA-N 2 2 329.532 4.280 20 0 EIADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000497537838 1046850080 /nfs/dbraw/zinc/85/00/80/1046850080.db2.gz REGHVGCCZFGZQU-NRFANRHFSA-N 2 2 341.474 4.172 20 0 EIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)ccc1OC ZINC000806181599 1047191496 /nfs/dbraw/zinc/19/14/96/1047191496.db2.gz YPLPRCNFQUULMH-KSSFIOAISA-N 2 2 340.458 4.375 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000537455067 1047244591 /nfs/dbraw/zinc/24/45/91/1047244591.db2.gz BAGBZEKHSSPBGN-GOEBONIOSA-N 2 2 344.890 4.048 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[N@H+](C)Cc1ccccc1 ZINC000788612642 1047247145 /nfs/dbraw/zinc/24/71/45/1047247145.db2.gz QFEVZPHMDPHDEC-CRAIPNDOSA-N 2 2 343.902 4.223 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[N@@H+](C)Cc1ccccc1 ZINC000788612642 1047247155 /nfs/dbraw/zinc/24/71/55/1047247155.db2.gz QFEVZPHMDPHDEC-CRAIPNDOSA-N 2 2 343.902 4.223 20 0 EIADLP Clc1ccsc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001170128242 1047518098 /nfs/dbraw/zinc/51/80/98/1047518098.db2.gz NYFMCPHKEPLGRO-UHFFFAOYSA-N 2 2 343.883 4.272 20 0 EIADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000824469109 1047877853 /nfs/dbraw/zinc/87/78/53/1047877853.db2.gz XAZZVUGVGDWFCF-LJQANCHMSA-N 2 2 339.389 4.318 20 0 EIADLP C[NH+](C)C1CC[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1 ZINC001136943385 1047972002 /nfs/dbraw/zinc/97/20/02/1047972002.db2.gz FEPUNVXMUYYWLK-UHFFFAOYSA-N 2 2 345.490 4.428 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000132129905 1048208558 /nfs/dbraw/zinc/20/85/58/1048208558.db2.gz ZVDAFIREIVYXLO-IBGZPJMESA-N 2 2 347.506 4.430 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132123350 1048209851 /nfs/dbraw/zinc/20/98/51/1048209851.db2.gz OSROWEHAHUYSIX-MRXNPFEDSA-N 2 2 325.481 4.195 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132178505 1048218240 /nfs/dbraw/zinc/21/82/40/1048218240.db2.gz STVQFESICVZWCX-MRXNPFEDSA-N 2 2 325.481 4.195 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143811862 1048224385 /nfs/dbraw/zinc/22/43/85/1048224385.db2.gz OIDVRWMFHSOBJZ-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143811862 1048224394 /nfs/dbraw/zinc/22/43/94/1048224394.db2.gz OIDVRWMFHSOBJZ-UHFFFAOYSA-N 2 2 331.769 4.077 20 0 EIADLP CCOc1ccccc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132271585 1048242807 /nfs/dbraw/zinc/24/28/07/1048242807.db2.gz KHCYJUBTPNDYAX-SFHVURJKSA-N 2 2 349.478 4.223 20 0 EIADLP CCc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000132285123 1048245984 /nfs/dbraw/zinc/24/59/84/1048245984.db2.gz GNSOPRKCBSFHDT-INIZCTEOSA-N 2 2 339.508 4.449 20 0 EIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992909 1048353597 /nfs/dbraw/zinc/35/35/97/1048353597.db2.gz VTPSEEZOWDZUPG-UHFFFAOYSA-N 2 2 334.813 4.277 20 0 EIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143992909 1048353609 /nfs/dbraw/zinc/35/36/09/1048353609.db2.gz VTPSEEZOWDZUPG-UHFFFAOYSA-N 2 2 334.813 4.277 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000809738768 1048513969 /nfs/dbraw/zinc/51/39/69/1048513969.db2.gz ITRKOPQLDOFFFO-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(C(C)(C)C)s2)cc1 ZINC000809738768 1048513982 /nfs/dbraw/zinc/51/39/82/1048513982.db2.gz ITRKOPQLDOFFFO-UHFFFAOYSA-N 2 2 331.529 4.134 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nccc2ccccc21 ZINC000810212191 1048708031 /nfs/dbraw/zinc/70/80/31/1048708031.db2.gz NPOSHWLTRHUKLR-INIZCTEOSA-N 2 2 328.419 4.271 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584110 1049014796 /nfs/dbraw/zinc/01/47/96/1049014796.db2.gz RTBTYZYVVCOAGC-UZLBHIALSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000817584110 1049014813 /nfs/dbraw/zinc/01/48/13/1049014813.db2.gz RTBTYZYVVCOAGC-UZLBHIALSA-N 2 2 343.902 4.298 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420653 1049718278 /nfs/dbraw/zinc/71/82/78/1049718278.db2.gz HPJZZGPRFRHACH-IFXJQAMLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420653 1049718285 /nfs/dbraw/zinc/71/82/85/1049718285.db2.gz HPJZZGPRFRHACH-IFXJQAMLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420653 1049718299 /nfs/dbraw/zinc/71/82/99/1049718299.db2.gz HPJZZGPRFRHACH-IFXJQAMLSA-N 2 2 347.890 4.157 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000245420653 1049718312 /nfs/dbraw/zinc/71/83/12/1049718312.db2.gz HPJZZGPRFRHACH-IFXJQAMLSA-N 2 2 347.890 4.157 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC001171972926 1049835967 /nfs/dbraw/zinc/83/59/67/1049835967.db2.gz UNLMMPOIGMGBQY-QGZVFWFLSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC001171972926 1049835970 /nfs/dbraw/zinc/83/59/70/1049835970.db2.gz UNLMMPOIGMGBQY-QGZVFWFLSA-N 2 2 343.902 4.268 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2COc4ccccc42)C3)cc1 ZINC001172074036 1049845159 /nfs/dbraw/zinc/84/51/59/1049845159.db2.gz SUJBJOMWBCBKRG-XWSHUIEDSA-N 2 2 348.490 4.295 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2COc4ccccc42)C3)cc1 ZINC001172074036 1049845163 /nfs/dbraw/zinc/84/51/63/1049845163.db2.gz SUJBJOMWBCBKRG-XWSHUIEDSA-N 2 2 348.490 4.295 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799476 1049856526 /nfs/dbraw/zinc/85/65/26/1049856526.db2.gz XOICAUXEWHXHJJ-DZGCQCFKSA-N 2 2 335.542 4.034 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799476 1049856530 /nfs/dbraw/zinc/85/65/30/1049856530.db2.gz XOICAUXEWHXHJJ-DZGCQCFKSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799476 1049856537 /nfs/dbraw/zinc/85/65/37/1049856537.db2.gz XOICAUXEWHXHJJ-DZGCQCFKSA-N 2 2 335.542 4.034 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)[C@@H](C)C1 ZINC000245799476 1049856542 /nfs/dbraw/zinc/85/65/42/1049856542.db2.gz XOICAUXEWHXHJJ-DZGCQCFKSA-N 2 2 335.542 4.034 20 0 EIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3c(Cl)cccc3C2)c1 ZINC001171034771 1049880559 /nfs/dbraw/zinc/88/05/59/1049880559.db2.gz YHRSVYCGUYIUQJ-KRWDZBQOSA-N 2 2 337.854 4.392 20 0 EIADLP CC(C)COCC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172472319 1049908564 /nfs/dbraw/zinc/90/85/64/1049908564.db2.gz IPGTULJYGLHITA-LJQANCHMSA-N 2 2 332.532 4.034 20 0 EIADLP CC(C)COCC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172472319 1049908572 /nfs/dbraw/zinc/90/85/72/1049908572.db2.gz IPGTULJYGLHITA-LJQANCHMSA-N 2 2 332.532 4.034 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567363 1049937258 /nfs/dbraw/zinc/93/72/58/1049937258.db2.gz JRMHMLILBNVIBO-GXTWGEPZSA-N 2 2 330.850 4.012 20 0 EIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567363 1049937263 /nfs/dbraw/zinc/93/72/63/1049937263.db2.gz JRMHMLILBNVIBO-GXTWGEPZSA-N 2 2 330.850 4.012 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723123 1049966287 /nfs/dbraw/zinc/96/62/87/1049966287.db2.gz OIGKTNYYXYWAII-HXUWFJFHSA-N 2 2 332.919 4.146 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723123 1049966293 /nfs/dbraw/zinc/96/62/93/1049966293.db2.gz OIGKTNYYXYWAII-HXUWFJFHSA-N 2 2 332.919 4.146 20 0 EIADLP Oc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCCC4)CC3)CC2)cc1 ZINC001172727953 1049968208 /nfs/dbraw/zinc/96/82/08/1049968208.db2.gz VDJALKOAGJPABV-UHFFFAOYSA-N 2 2 342.527 4.449 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2o1 ZINC000248545341 1050063586 /nfs/dbraw/zinc/06/35/86/1050063586.db2.gz DHQXAHPTZDNPBA-JYJNAYRXSA-N 2 2 327.472 4.131 20 0 EIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2o1 ZINC000248545341 1050063592 /nfs/dbraw/zinc/06/35/92/1050063592.db2.gz DHQXAHPTZDNPBA-JYJNAYRXSA-N 2 2 327.472 4.131 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172839087 1050176717 /nfs/dbraw/zinc/17/67/17/1050176717.db2.gz AYKBUUYBLKFRTH-HNNXBMFYSA-N 2 2 346.877 4.132 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860086 1050196662 /nfs/dbraw/zinc/19/66/62/1050196662.db2.gz DMWCXSNYUPYZBD-GJZGRUSLSA-N 2 2 348.849 4.267 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172860086 1050196666 /nfs/dbraw/zinc/19/66/66/1050196666.db2.gz DMWCXSNYUPYZBD-GJZGRUSLSA-N 2 2 348.849 4.267 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000090667657 1050197660 /nfs/dbraw/zinc/19/76/60/1050197660.db2.gz QJEMZEBEATYHBU-HVLZBCLKSA-N 2 2 339.527 4.021 20 0 EIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](c2ccccc2)C2CC2)[nH+]1 ZINC000091283304 1050248301 /nfs/dbraw/zinc/24/83/01/1050248301.db2.gz VEXNAFRUNHTZOT-QFIPXVFZSA-N 2 2 331.463 4.215 20 0 EIADLP C[NH+](C)[C@H]1CCOc2c(Nc3ccc(Cn4cc[nH+]c4)cc3)cccc21 ZINC001212699274 1050261889 /nfs/dbraw/zinc/26/18/89/1050261889.db2.gz XIVBRIVYGSKSCQ-FQEVSTJZSA-N 2 2 348.450 4.060 20 0 EIADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212696976 1050262412 /nfs/dbraw/zinc/26/24/12/1050262412.db2.gz YHYMCXDGGNRBQA-UHFFFAOYSA-N 2 2 343.434 4.228 20 0 EIADLP Cc1ccccc1[C@H]([C@H](C)Nc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001186381671 1050315670 /nfs/dbraw/zinc/31/56/70/1050315670.db2.gz XGSXJQNKPYGFOQ-YWZLYKJASA-N 2 2 338.499 4.076 20 0 EIADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCc2ncsc2C1)c1ccccc1 ZINC001173131905 1050322125 /nfs/dbraw/zinc/32/21/25/1050322125.db2.gz MUDTVZXYXAJEIZ-JRGCBEDISA-N 2 2 349.503 4.031 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC001177913054 1050327131 /nfs/dbraw/zinc/32/71/31/1050327131.db2.gz UQQBJABXMLABEQ-ACJLOTCBSA-N 2 2 336.451 4.199 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)[C@H]1c1cccs1 ZINC001177913054 1050327143 /nfs/dbraw/zinc/32/71/43/1050327143.db2.gz UQQBJABXMLABEQ-ACJLOTCBSA-N 2 2 336.451 4.199 20 0 EIADLP c1cn(-c2ccc(C[NH2+]C3CCC(Oc4ccccc4)CC3)cc2)c[nH+]1 ZINC001173198042 1050342509 /nfs/dbraw/zinc/34/25/09/1050342509.db2.gz NCVMVAFRHWOZHS-UHFFFAOYSA-N 2 2 347.462 4.352 20 0 EIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001173216954 1050349857 /nfs/dbraw/zinc/34/98/57/1050349857.db2.gz ZKNKQPCFIOTOIW-SFHVURJKSA-N 2 2 333.479 4.163 20 0 EIADLP CCCC[C@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001173262180 1050386724 /nfs/dbraw/zinc/38/67/24/1050386724.db2.gz SYUYEGHDEXTPBZ-GOSISDBHSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001173262180 1050386744 /nfs/dbraw/zinc/38/67/44/1050386744.db2.gz SYUYEGHDEXTPBZ-GOSISDBHSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001173262180 1050386763 /nfs/dbraw/zinc/38/67/63/1050386763.db2.gz SYUYEGHDEXTPBZ-GOSISDBHSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001173262180 1050386779 /nfs/dbraw/zinc/38/67/79/1050386779.db2.gz SYUYEGHDEXTPBZ-GOSISDBHSA-N 2 2 334.552 4.144 20 0 EIADLP CCCC[C@H](CC(C)C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001173261092 1050387603 /nfs/dbraw/zinc/38/76/03/1050387603.db2.gz OKLIQQHSKPGULU-SFHLNBCPSA-N 2 2 329.532 4.050 20 0 EIADLP COc1ccccc1/C=C/C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001178561123 1050506791 /nfs/dbraw/zinc/50/67/91/1050506791.db2.gz AJKNHUSVSNGFTF-VQHVLOKHSA-N 2 2 342.527 4.344 20 0 EIADLP CS[C@@H]1CCC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770314 1050551469 /nfs/dbraw/zinc/55/14/69/1050551469.db2.gz YXKKWJXJQJDHDH-RTBURBONSA-N 2 2 332.557 4.305 20 0 EIADLP CS[C@@H]1CCC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770314 1050551483 /nfs/dbraw/zinc/55/14/83/1050551483.db2.gz YXKKWJXJQJDHDH-RTBURBONSA-N 2 2 332.557 4.305 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644341 1050646850 /nfs/dbraw/zinc/64/68/50/1050646850.db2.gz CVPGUDYOJFUGJV-NVXWUHKLSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644341 1050646862 /nfs/dbraw/zinc/64/68/62/1050646862.db2.gz CVPGUDYOJFUGJV-NVXWUHKLSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644341 1050646868 /nfs/dbraw/zinc/64/68/68/1050646868.db2.gz CVPGUDYOJFUGJV-NVXWUHKLSA-N 2 2 330.447 4.309 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644341 1050646890 /nfs/dbraw/zinc/64/68/90/1050646890.db2.gz CVPGUDYOJFUGJV-NVXWUHKLSA-N 2 2 330.447 4.309 20 0 EIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152763366 1050848011 /nfs/dbraw/zinc/84/80/11/1050848011.db2.gz HMWFUWRFYAPLCK-AWEZNQCLSA-N 2 2 347.890 4.165 20 0 EIADLP C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076395711 1050857340 /nfs/dbraw/zinc/85/73/40/1050857340.db2.gz DRZNZNBJELHRAK-LBPRGKRZSA-N 2 2 331.341 4.140 20 0 EIADLP c1cn(-c2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC001174396603 1050914457 /nfs/dbraw/zinc/91/44/57/1050914457.db2.gz JJJUHCAOSQOSFN-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP c1cn(-c2ccccc2NC2=CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC001174396603 1050914478 /nfs/dbraw/zinc/91/44/78/1050914478.db2.gz JJJUHCAOSQOSFN-UHFFFAOYSA-N 2 2 330.435 4.074 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001180289031 1050954950 /nfs/dbraw/zinc/95/49/50/1050954950.db2.gz QCYKNXSYYPOAEJ-FUHWJXTLSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC001180289031 1050954958 /nfs/dbraw/zinc/95/49/58/1050954958.db2.gz QCYKNXSYYPOAEJ-FUHWJXTLSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289031 1050954962 /nfs/dbraw/zinc/95/49/62/1050954962.db2.gz QCYKNXSYYPOAEJ-FUHWJXTLSA-N 2 2 347.453 4.368 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccn2C(F)F)CC[NH+]1Cc1ccccc1 ZINC001180289031 1050954970 /nfs/dbraw/zinc/95/49/70/1050954970.db2.gz QCYKNXSYYPOAEJ-FUHWJXTLSA-N 2 2 347.453 4.368 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001203708484 1051039494 /nfs/dbraw/zinc/03/94/94/1051039494.db2.gz LNMGTMGMWYTWPO-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001203708484 1051039508 /nfs/dbraw/zinc/03/95/08/1051039508.db2.gz LNMGTMGMWYTWPO-UHFFFAOYSA-N 2 2 326.459 4.231 20 0 EIADLP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524872 1051056108 /nfs/dbraw/zinc/05/61/08/1051056108.db2.gz SZJXUZJMMZROLA-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000153679933 1051212968 /nfs/dbraw/zinc/21/29/68/1051212968.db2.gz QFNXEQBBHPLQSV-CYBMUJFWSA-N 2 2 329.444 4.486 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC001181383595 1051214814 /nfs/dbraw/zinc/21/48/14/1051214814.db2.gz WPRMVCYPCDXVSQ-HYXAFXHYSA-N 2 2 326.415 4.086 20 0 EIADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155674635 1051443937 /nfs/dbraw/zinc/44/39/37/1051443937.db2.gz VBDOBMKIMHTRCN-SFHVURJKSA-N 2 2 335.451 4.121 20 0 EIADLP c1c[nH+]c(Nc2ccc(C[NH+]3CCCCC3)cc2)c(N2CCCC2)c1 ZINC001175362740 1051549942 /nfs/dbraw/zinc/54/99/42/1051549942.db2.gz UWRNYRKOTYYFIB-UHFFFAOYSA-N 2 2 336.483 4.411 20 0 EIADLP Clc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)s1 ZINC000312601369 1051566171 /nfs/dbraw/zinc/56/61/71/1051566171.db2.gz MDMOHTSTMQSOEK-UHFFFAOYSA-N 2 2 342.295 4.209 20 0 EIADLP CC1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001192291536 1051684665 /nfs/dbraw/zinc/68/46/65/1051684665.db2.gz CQOPDNWGXHQPQS-UHFFFAOYSA-N 2 2 331.463 4.426 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182844132 1051713117 /nfs/dbraw/zinc/71/31/17/1051713117.db2.gz JMFMKUVDJJWAIA-XJKSGUPXSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182844132 1051713133 /nfs/dbraw/zinc/71/31/33/1051713133.db2.gz JMFMKUVDJJWAIA-XJKSGUPXSA-N 2 2 328.422 4.099 20 0 EIADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001182845105 1051715010 /nfs/dbraw/zinc/71/50/10/1051715010.db2.gz RNPNQHBUWRBMIF-DDRDIHNTSA-N 2 2 344.543 4.425 20 0 EIADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001182845105 1051715022 /nfs/dbraw/zinc/71/50/22/1051715022.db2.gz RNPNQHBUWRBMIF-DDRDIHNTSA-N 2 2 344.543 4.425 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001206556233 1051779740 /nfs/dbraw/zinc/77/97/40/1051779740.db2.gz PAKWZAHGYVOMMG-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001206556233 1051779751 /nfs/dbraw/zinc/77/97/51/1051779751.db2.gz PAKWZAHGYVOMMG-OAHLLOKOSA-N 2 2 334.813 4.310 20 0 EIADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065143 1051782365 /nfs/dbraw/zinc/78/23/65/1051782365.db2.gz HEVHBOSZTXDXDN-KBXCAEBGSA-N 2 2 347.453 4.065 20 0 EIADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2ccc(F)c(F)c2n1 ZINC001183065143 1051782370 /nfs/dbraw/zinc/78/23/70/1051782370.db2.gz HEVHBOSZTXDXDN-KBXCAEBGSA-N 2 2 347.453 4.065 20 0 EIADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238851 1051809895 /nfs/dbraw/zinc/80/98/95/1051809895.db2.gz QKKYXJHQKFFCQI-APWZRJJASA-N 2 2 325.500 4.096 20 0 EIADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238851 1051809899 /nfs/dbraw/zinc/80/98/99/1051809899.db2.gz QKKYXJHQKFFCQI-APWZRJJASA-N 2 2 325.500 4.096 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001183481188 1051848160 /nfs/dbraw/zinc/84/81/60/1051848160.db2.gz FDQLPRPSZJFYSI-FXAWDEMLSA-N 2 2 333.479 4.311 20 0 EIADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC001183481188 1051848164 /nfs/dbraw/zinc/84/81/64/1051848164.db2.gz FDQLPRPSZJFYSI-FXAWDEMLSA-N 2 2 333.479 4.311 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)[C@@H]1C ZINC001183525835 1051851399 /nfs/dbraw/zinc/85/13/99/1051851399.db2.gz HTLKSDJYPSZPOH-JYWFKMLOSA-N 2 2 327.516 4.208 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)[C@@H]1C ZINC001183525835 1051851403 /nfs/dbraw/zinc/85/14/03/1051851403.db2.gz HTLKSDJYPSZPOH-JYWFKMLOSA-N 2 2 327.516 4.208 20 0 EIADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296147 1052003820 /nfs/dbraw/zinc/00/38/20/1052003820.db2.gz IAUIBAXPOWCYJS-OAHLLOKOSA-N 2 2 345.712 4.114 20 0 EIADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296147 1052003834 /nfs/dbraw/zinc/00/38/34/1052003834.db2.gz IAUIBAXPOWCYJS-OAHLLOKOSA-N 2 2 345.712 4.114 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(C)cc2)cc1 ZINC000163782088 1052006485 /nfs/dbraw/zinc/00/64/85/1052006485.db2.gz JVCPZFDKUGILSO-PIPMEXSNSA-N 2 2 338.495 4.165 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(C)cc2)cc1 ZINC000163782088 1052006498 /nfs/dbraw/zinc/00/64/98/1052006498.db2.gz JVCPZFDKUGILSO-PIPMEXSNSA-N 2 2 338.495 4.165 20 0 EIADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296916 1052013330 /nfs/dbraw/zinc/01/33/30/1052013330.db2.gz WXDOXXNESUCHEI-HNNXBMFYSA-N 2 2 345.712 4.114 20 0 EIADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296916 1052013343 /nfs/dbraw/zinc/01/33/43/1052013343.db2.gz WXDOXXNESUCHEI-HNNXBMFYSA-N 2 2 345.712 4.114 20 0 EIADLP CC(C)CCn1cccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000172626557 1052509331 /nfs/dbraw/zinc/50/93/31/1052509331.db2.gz WZPYHQCSYBUXIX-UHFFFAOYSA-N 2 2 336.483 4.069 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342026 1052625841 /nfs/dbraw/zinc/62/58/41/1052625841.db2.gz BHEAZOVKVWBUBN-FUHWJXTLSA-N 2 2 332.488 4.439 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1(C)C ZINC000623342026 1052625842 /nfs/dbraw/zinc/62/58/42/1052625842.db2.gz BHEAZOVKVWBUBN-FUHWJXTLSA-N 2 2 332.488 4.439 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](C)C(C)(C)C)CCOCC1)c1ccccc1 ZINC000670267810 1052628682 /nfs/dbraw/zinc/62/86/82/1052628682.db2.gz UVQGTZSPBFRHPC-QZTJIDSGSA-N 2 2 332.532 4.158 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000177210010 1052674764 /nfs/dbraw/zinc/67/47/64/1052674764.db2.gz OZLXLGPUZZEQGL-HNNXBMFYSA-N 2 2 325.843 4.436 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000177935984 1052694527 /nfs/dbraw/zinc/69/45/27/1052694527.db2.gz FFXRZAJXWPFNCW-OAHLLOKOSA-N 2 2 325.843 4.436 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000177932900 1052694678 /nfs/dbraw/zinc/69/46/78/1052694678.db2.gz HLLFCYWBJVGAJE-JOCHJYFZSA-N 2 2 331.463 4.042 20 0 EIADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000623656200 1052697784 /nfs/dbraw/zinc/69/77/84/1052697784.db2.gz OXJICKXXZJLNRY-CQSZACIVSA-N 2 2 349.931 4.285 20 0 EIADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000623656200 1052697792 /nfs/dbraw/zinc/69/77/92/1052697792.db2.gz OXJICKXXZJLNRY-CQSZACIVSA-N 2 2 349.931 4.285 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000178606538 1052709956 /nfs/dbraw/zinc/70/99/56/1052709956.db2.gz BVCFPAQWUIFOCA-AUUYWEPGSA-N 2 2 330.422 4.127 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000178606538 1052709960 /nfs/dbraw/zinc/70/99/60/1052709960.db2.gz BVCFPAQWUIFOCA-AUUYWEPGSA-N 2 2 330.422 4.127 20 0 EIADLP Fc1ccc(S[C@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000623850114 1052821913 /nfs/dbraw/zinc/82/19/13/1052821913.db2.gz YEBVMBGSANZMIS-ROUUACIJSA-N 2 2 333.476 4.105 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623903327 1052834252 /nfs/dbraw/zinc/83/42/52/1052834252.db2.gz CGQZOJHGDAILDI-CXAGYDPISA-N 2 2 338.480 4.365 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000623985993 1052844524 /nfs/dbraw/zinc/84/45/24/1052844524.db2.gz IFNFDZVLIMEYDW-SJKOYZFVSA-N 2 2 340.858 4.069 20 0 EIADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000624014862 1052853804 /nfs/dbraw/zinc/85/38/04/1052853804.db2.gz ITBFCWXUYRVOGN-CSODHUTKSA-N 2 2 330.516 4.104 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884301 1052954264 /nfs/dbraw/zinc/95/42/64/1052954264.db2.gz WBKFGBMSKYCWEI-JXXFODFXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884301 1052954268 /nfs/dbraw/zinc/95/42/68/1052954268.db2.gz WBKFGBMSKYCWEI-JXXFODFXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185687766 1053020252 /nfs/dbraw/zinc/02/02/52/1053020252.db2.gz DHQXAHPTZDNPBA-OWCLPIDISA-N 2 2 327.472 4.131 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687766 1053020257 /nfs/dbraw/zinc/02/02/57/1053020257.db2.gz DHQXAHPTZDNPBA-OWCLPIDISA-N 2 2 327.472 4.131 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc2ccccc2[nH]1 ZINC000775627565 1053229563 /nfs/dbraw/zinc/22/95/63/1053229563.db2.gz JVFVSWOALZZSCP-IRXDYDNUSA-N 2 2 348.494 4.439 20 0 EIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cscn2)ccc1OC ZINC000850511837 1053268166 /nfs/dbraw/zinc/26/81/66/1053268166.db2.gz OICBRYQHRMQCTL-CABCVRRESA-N 2 2 347.528 4.405 20 0 EIADLP CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000794831231 1053443648 /nfs/dbraw/zinc/44/36/48/1053443648.db2.gz PAYMGHGLNNYFBM-VOQZNFBZSA-N 2 2 349.478 4.425 20 0 EIADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765347990 1053512152 /nfs/dbraw/zinc/51/21/52/1053512152.db2.gz IDHQXZSQUJDSRC-LFUKPOHLSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865485435 1053522121 /nfs/dbraw/zinc/52/21/21/1053522121.db2.gz WPISTPMRSRIJRC-WMLDXEAASA-N 2 2 347.865 4.017 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(Cl)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000865485435 1053522130 /nfs/dbraw/zinc/52/21/30/1053522130.db2.gz WPISTPMRSRIJRC-WMLDXEAASA-N 2 2 347.865 4.017 20 0 EIADLP COc1ccc2c(NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc[nH+]c2c1 ZINC000765474989 1053563862 /nfs/dbraw/zinc/56/38/62/1053563862.db2.gz JETZCQKYINRAMX-UHFFFAOYSA-N 2 2 348.381 4.180 20 0 EIADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000866225199 1053656954 /nfs/dbraw/zinc/65/69/54/1053656954.db2.gz QQWZWKAGQBOMSU-NRFANRHFSA-N 2 2 335.426 4.238 20 0 EIADLP c1cn(CCCC[NH2+][C@@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866240021 1053660651 /nfs/dbraw/zinc/66/06/51/1053660651.db2.gz ZTOCHDBQGCBKGP-NRFANRHFSA-N 2 2 334.467 4.022 20 0 EIADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866706768 1053817978 /nfs/dbraw/zinc/81/79/78/1053817978.db2.gz RDJVQKTTXUYMBD-KRWDZBQOSA-N 2 2 335.542 4.069 20 0 EIADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866706768 1053817987 /nfs/dbraw/zinc/81/79/87/1053817987.db2.gz RDJVQKTTXUYMBD-KRWDZBQOSA-N 2 2 335.542 4.069 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197376495 1053898047 /nfs/dbraw/zinc/89/80/47/1053898047.db2.gz DXPZOWVKZRIOLN-KGLIPLIRSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197376495 1053898048 /nfs/dbraw/zinc/89/80/48/1053898048.db2.gz DXPZOWVKZRIOLN-KGLIPLIRSA-N 2 2 333.838 4.146 20 0 EIADLP CCCOc1cccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC001197582795 1053949398 /nfs/dbraw/zinc/94/93/98/1053949398.db2.gz YJSHWNYHEUOSKT-UHFFFAOYSA-N 2 2 330.516 4.316 20 0 EIADLP c1cn(CCCC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)c[nH+]1 ZINC000543707997 1054139882 /nfs/dbraw/zinc/13/98/82/1054139882.db2.gz SYGVYUGEUNHXTL-NRFANRHFSA-N 2 2 346.434 4.184 20 0 EIADLP Clc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000542671507 1054184985 /nfs/dbraw/zinc/18/49/85/1054184985.db2.gz TVPFXYMPASGBNL-GOSISDBHSA-N 2 2 329.875 4.083 20 0 EIADLP Cc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C2CCC2)o1 ZINC000542669150 1054185159 /nfs/dbraw/zinc/18/51/59/1054185159.db2.gz AMPQNIAYOJDOMT-NRFANRHFSA-N 2 2 335.451 4.464 20 0 EIADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC001198901022 1054293654 /nfs/dbraw/zinc/29/36/54/1054293654.db2.gz OGUMCLBCHZDMQR-XZOQPEGZSA-N 2 2 334.507 4.361 20 0 EIADLP CC(C)C1CCC(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001199189373 1054361357 /nfs/dbraw/zinc/36/13/57/1054361357.db2.gz LORIMPOMMCFVPN-UHFFFAOYSA-N 2 2 325.500 4.483 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001199207826 1054364059 /nfs/dbraw/zinc/36/40/59/1054364059.db2.gz BLUSYVXWNPUHOT-MTCRFPMVSA-N 2 2 347.462 4.154 20 0 EIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc2ccccc21 ZINC001199897299 1054483747 /nfs/dbraw/zinc/48/37/47/1054483747.db2.gz XPEOGUJBWJDKAR-UHFFFAOYSA-N 2 2 343.430 4.324 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488189 1054817118 /nfs/dbraw/zinc/81/71/18/1054817118.db2.gz WZAFSCMEDCIIJN-IPMKNSEASA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201488189 1054817122 /nfs/dbraw/zinc/81/71/22/1054817122.db2.gz WZAFSCMEDCIIJN-IPMKNSEASA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201488189 1054817132 /nfs/dbraw/zinc/81/71/32/1054817132.db2.gz WZAFSCMEDCIIJN-IPMKNSEASA-N 2 2 347.572 4.422 20 0 EIADLP CC(C)=CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201488189 1054817138 /nfs/dbraw/zinc/81/71/38/1054817138.db2.gz WZAFSCMEDCIIJN-IPMKNSEASA-N 2 2 347.572 4.422 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000776219718 1054940431 /nfs/dbraw/zinc/94/04/31/1054940431.db2.gz GWPWWIADQNXNRR-UHFFFAOYSA-N 2 2 349.478 4.257 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380161 1055060364 /nfs/dbraw/zinc/06/03/64/1055060364.db2.gz SEQIQNUWBOVLIV-GHMZBOCLSA-N 2 2 349.828 4.277 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380161 1055060378 /nfs/dbraw/zinc/06/03/78/1055060378.db2.gz SEQIQNUWBOVLIV-GHMZBOCLSA-N 2 2 349.828 4.277 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccns1 ZINC000877659439 1055102183 /nfs/dbraw/zinc/10/21/83/1055102183.db2.gz SCQYPBLABBJNKZ-LESCRADOSA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccns1 ZINC000877659439 1055102189 /nfs/dbraw/zinc/10/21/89/1055102189.db2.gz SCQYPBLABBJNKZ-LESCRADOSA-N 2 2 327.497 4.162 20 0 EIADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202442744 1055177320 /nfs/dbraw/zinc/17/73/20/1055177320.db2.gz OCOXAMRUGCSOGB-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202442744 1055177325 /nfs/dbraw/zinc/17/73/25/1055177325.db2.gz OCOXAMRUGCSOGB-UHFFFAOYSA-N 2 2 332.385 4.064 20 0 EIADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3noc4ccccc34)CC23CC3)cc1 ZINC000655855474 1055765126 /nfs/dbraw/zinc/76/51/26/1055765126.db2.gz FBZWYNOZFJVGAD-SFHVURJKSA-N 2 2 347.462 4.115 20 0 EIADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3noc4ccccc34)CC23CC3)cc1 ZINC000655855474 1055765146 /nfs/dbraw/zinc/76/51/46/1055765146.db2.gz FBZWYNOZFJVGAD-SFHVURJKSA-N 2 2 347.462 4.115 20 0 EIADLP Brc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000338694760 1056058031 /nfs/dbraw/zinc/05/80/31/1056058031.db2.gz PIJUMMCTQYTNMN-QGZVFWFLSA-N 2 2 348.288 4.093 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000474893634 1056099032 /nfs/dbraw/zinc/09/90/32/1056099032.db2.gz DVAHQHWUVHNKQB-WLYUNCDWSA-N 2 2 329.410 4.230 20 0 EIADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254553 1056704507 /nfs/dbraw/zinc/70/45/07/1056704507.db2.gz MPWSNWATYCSJGD-INIZCTEOSA-N 2 2 325.456 4.398 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391868 1058591448 /nfs/dbraw/zinc/59/14/48/1058591448.db2.gz MXOWCMLKHREQPU-MRXNPFEDSA-N 2 2 328.419 4.271 20 0 EIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766304194 1059359588 /nfs/dbraw/zinc/35/95/88/1059359588.db2.gz MESYCMKOUQRKNV-NHCUHLMSSA-N 2 2 331.463 4.289 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326434 1059801448 /nfs/dbraw/zinc/80/14/48/1059801448.db2.gz QURIUCINWSNJGB-AUUYWEPGSA-N 2 2 337.398 4.186 20 0 EIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CCCC2)cc1 ZINC001168902961 1060511079 /nfs/dbraw/zinc/51/10/79/1060511079.db2.gz PGMIGMOIJGAZSY-UHFFFAOYSA-N 2 2 341.499 4.364 20 0 EIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CCCC2)cc1 ZINC001168902961 1060511102 /nfs/dbraw/zinc/51/11/02/1060511102.db2.gz PGMIGMOIJGAZSY-UHFFFAOYSA-N 2 2 341.499 4.364 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000348093937 1060551186 /nfs/dbraw/zinc/55/11/86/1060551186.db2.gz VFGVKMDEDNRGLP-GOSISDBHSA-N 3 2 342.531 4.340 20 0 EIADLP Cc1[nH]c(C[NH2+][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC001169126232 1060651284 /nfs/dbraw/zinc/65/12/84/1060651284.db2.gz YHNYVUWHLQAWST-QWRGUYRKSA-N 2 2 325.378 4.327 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126240 1060651457 /nfs/dbraw/zinc/65/14/57/1060651457.db2.gz QMQOTFLRJHTZQO-MLHJIOFPSA-N 2 2 349.316 4.211 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126240 1060651461 /nfs/dbraw/zinc/65/14/61/1060651461.db2.gz QMQOTFLRJHTZQO-MLHJIOFPSA-N 2 2 349.316 4.211 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126240 1060651466 /nfs/dbraw/zinc/65/14/66/1060651466.db2.gz QMQOTFLRJHTZQO-MLHJIOFPSA-N 2 2 349.316 4.211 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccc(Br)cc1)C2 ZINC001169126240 1060651468 /nfs/dbraw/zinc/65/14/68/1060651468.db2.gz QMQOTFLRJHTZQO-MLHJIOFPSA-N 2 2 349.316 4.211 20 0 EIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144623 1060662985 /nfs/dbraw/zinc/66/29/85/1060662985.db2.gz KTWJXEZBVGZEKT-VSZNYVQBSA-N 2 2 336.932 4.055 20 0 EIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144623 1060662994 /nfs/dbraw/zinc/66/29/94/1060662994.db2.gz KTWJXEZBVGZEKT-VSZNYVQBSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144623 1060663003 /nfs/dbraw/zinc/66/30/03/1060663003.db2.gz KTWJXEZBVGZEKT-VSZNYVQBSA-N 2 2 336.932 4.055 20 0 EIADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C2 ZINC001169144623 1060663015 /nfs/dbraw/zinc/66/30/15/1060663015.db2.gz KTWJXEZBVGZEKT-VSZNYVQBSA-N 2 2 336.932 4.055 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153968 1060671397 /nfs/dbraw/zinc/67/13/97/1060671397.db2.gz NFAWNNZKOQBUDC-ZSHCYNCHSA-N 2 2 327.299 4.441 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153968 1060671399 /nfs/dbraw/zinc/67/13/99/1060671399.db2.gz NFAWNNZKOQBUDC-ZSHCYNCHSA-N 2 2 327.299 4.441 20 0 EIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153968 1060671404 /nfs/dbraw/zinc/67/14/04/1060671404.db2.gz NFAWNNZKOQBUDC-ZSHCYNCHSA-N 2 2 327.299 4.441 20 0 EIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153968 1060671407 /nfs/dbraw/zinc/67/14/07/1060671407.db2.gz NFAWNNZKOQBUDC-ZSHCYNCHSA-N 2 2 327.299 4.441 20 0 EIADLP CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723807 1060920187 /nfs/dbraw/zinc/92/01/87/1060920187.db2.gz HXFALLDQWPRFGG-SFTDATJTSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723807 1060920201 /nfs/dbraw/zinc/92/02/01/1060920201.db2.gz HXFALLDQWPRFGG-SFTDATJTSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723807 1060920211 /nfs/dbraw/zinc/92/02/11/1060920211.db2.gz HXFALLDQWPRFGG-SFTDATJTSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723807 1060920225 /nfs/dbraw/zinc/92/02/25/1060920225.db2.gz HXFALLDQWPRFGG-SFTDATJTSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723804 1060920868 /nfs/dbraw/zinc/92/08/68/1060920868.db2.gz HXFALLDQWPRFGG-LEWJYISDSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001169723804 1060920883 /nfs/dbraw/zinc/92/08/83/1060920883.db2.gz HXFALLDQWPRFGG-LEWJYISDSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723804 1060920900 /nfs/dbraw/zinc/92/09/00/1060920900.db2.gz HXFALLDQWPRFGG-LEWJYISDSA-N 2 2 344.543 4.036 20 0 EIADLP CC(C)(C)[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001169723804 1060920915 /nfs/dbraw/zinc/92/09/15/1060920915.db2.gz HXFALLDQWPRFGG-LEWJYISDSA-N 2 2 344.543 4.036 20 0 EIADLP c1ccc(-c2[nH]c3ccc(NCC45CC[NH+](CC4)CC5)cc3[nH+]2)cc1 ZINC001169802856 1060962492 /nfs/dbraw/zinc/96/24/92/1060962492.db2.gz RMWNADUTTSUSPS-UHFFFAOYSA-N 2 2 332.451 4.128 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000037157695 524791192 /nfs/dbraw/zinc/79/11/92/524791192.db2.gz CBXSEJPUVGGONH-NEPJUHHUSA-N 2 2 348.244 4.131 20 0 EIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532196249 1032080799 /nfs/dbraw/zinc/08/07/99/1032080799.db2.gz XWOQAHYEFFCXGO-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000532213017 1032095522 /nfs/dbraw/zinc/09/55/22/1032095522.db2.gz OQEBTUWUFFMZBU-PKOBYXMFSA-N 2 2 345.462 4.127 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cnc3ccsc3c1)CCC2 ZINC000360079896 1032238490 /nfs/dbraw/zinc/23/84/90/1032238490.db2.gz RGFHZZGYXXSCTC-UONOGXRCSA-N 2 2 326.469 4.029 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCOc3c(C)cc(C)cc31)CCC2 ZINC000360080472 1032238678 /nfs/dbraw/zinc/23/86/78/1032238678.db2.gz XJGSFRPCACPKDM-MJGOQNOKSA-N 2 2 339.483 4.189 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000360079645 1032238871 /nfs/dbraw/zinc/23/88/71/1032238871.db2.gz PFHGFWACEFHVPI-KGLIPLIRSA-N 2 2 333.863 4.082 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000245534164 1032288226 /nfs/dbraw/zinc/28/82/26/1032288226.db2.gz JNSMTDNHOVYKKU-HZPDHXFCSA-N 2 2 329.513 4.368 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000245534164 1032288240 /nfs/dbraw/zinc/28/82/40/1032288240.db2.gz JNSMTDNHOVYKKU-HZPDHXFCSA-N 2 2 329.513 4.368 20 0 EIADLP CC[N@H+](CC=C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074421 1032474420 /nfs/dbraw/zinc/47/44/20/1032474420.db2.gz DSOZDWXLZDAURN-UHFFFAOYSA-N 2 2 330.520 4.165 20 0 EIADLP CC[N@@H+](CC=C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074421 1032474429 /nfs/dbraw/zinc/47/44/29/1032474429.db2.gz DSOZDWXLZDAURN-UHFFFAOYSA-N 2 2 330.520 4.165 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)ccc1F ZINC000177933942 1032514343 /nfs/dbraw/zinc/51/43/43/1032514343.db2.gz ZEESRZYTXIEVKC-HXUWFJFHSA-N 2 2 341.405 4.451 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2ccccc2n1 ZINC000177896938 1032524361 /nfs/dbraw/zinc/52/43/61/1032524361.db2.gz QAOMUYUUMVDRHS-QGZVFWFLSA-N 2 2 342.446 4.330 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959097 1032545798 /nfs/dbraw/zinc/54/57/98/1032545798.db2.gz UZEODCRMBCACGD-CDNPAEQRSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCC2 ZINC000178959097 1032545805 /nfs/dbraw/zinc/54/58/05/1032545805.db2.gz UZEODCRMBCACGD-CDNPAEQRSA-N 2 2 349.522 4.268 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512388894 1032623347 /nfs/dbraw/zinc/62/33/47/1032623347.db2.gz AXTFAOQNUNGGOZ-UHFFFAOYSA-N 2 2 347.462 4.396 20 0 EIADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000339516801 1019043659 /nfs/dbraw/zinc/04/36/59/1019043659.db2.gz SQCSQYDETMGQQG-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274875953 1019825906 /nfs/dbraw/zinc/82/59/06/1019825906.db2.gz GOMVNKIFWDYMKT-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)o1 ZINC000179834545 1019902465 /nfs/dbraw/zinc/90/24/65/1019902465.db2.gz RBIITCMAMSZWKY-UHFFFAOYSA-N 2 2 330.447 4.357 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000179963341 1019993759 /nfs/dbraw/zinc/99/37/59/1019993759.db2.gz KYGXIXBXXMIXAB-IBGZPJMESA-N 2 2 343.833 4.445 20 0 EIADLP Fc1ccc(C([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000180094537 1020051263 /nfs/dbraw/zinc/05/12/63/1020051263.db2.gz MSUFBICENYXGKD-OAHLLOKOSA-N 2 2 342.433 4.128 20 0 EIADLP Fc1ccc(C([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000180094537 1020051275 /nfs/dbraw/zinc/05/12/75/1020051275.db2.gz MSUFBICENYXGKD-OAHLLOKOSA-N 2 2 342.433 4.128 20 0 EIADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000017313918 1020153133 /nfs/dbraw/zinc/15/31/33/1020153133.db2.gz IPQYCQAMYGSVQI-UHFFFAOYSA-N 2 2 339.266 4.437 20 0 EIADLP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167233306 1020621234 /nfs/dbraw/zinc/62/12/34/1020621234.db2.gz HNNQMVHPFRFBIH-OAQYLSRUSA-N 2 2 347.462 4.088 20 0 EIADLP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167233306 1020621249 /nfs/dbraw/zinc/62/12/49/1020621249.db2.gz HNNQMVHPFRFBIH-OAQYLSRUSA-N 2 2 347.462 4.088 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccncc1F ZINC000340259894 1020696015 /nfs/dbraw/zinc/69/60/15/1020696015.db2.gz QZBRHVMRAXPJAJ-SUNYJGFJSA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccncc1F ZINC000340259894 1020696023 /nfs/dbraw/zinc/69/60/23/1020696023.db2.gz QZBRHVMRAXPJAJ-SUNYJGFJSA-N 2 2 333.476 4.016 20 0 EIADLP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655690097 1020900146 /nfs/dbraw/zinc/90/01/46/1020900146.db2.gz VKYGPUCDNUOVNW-WOJBJXKFSA-N 2 2 330.516 4.007 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848451 1021012277 /nfs/dbraw/zinc/01/22/77/1021012277.db2.gz FHLXSJHXAFLKAJ-FYQPLNBISA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848451 1021012281 /nfs/dbraw/zinc/01/22/81/1021012281.db2.gz FHLXSJHXAFLKAJ-FYQPLNBISA-N 2 2 327.516 4.023 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340478327 1021098979 /nfs/dbraw/zinc/09/89/79/1021098979.db2.gz IXEKSDIOGODYNL-JKSUJKDBSA-N 2 2 327.447 4.097 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957099 1021459138 /nfs/dbraw/zinc/45/91/38/1021459138.db2.gz RCWOCTFRSZMECS-RXVVDRJESA-N 2 2 343.559 4.488 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957099 1021459143 /nfs/dbraw/zinc/45/91/43/1021459143.db2.gz RCWOCTFRSZMECS-RXVVDRJESA-N 2 2 343.559 4.488 20 0 EIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc21 ZINC000683783429 1021545682 /nfs/dbraw/zinc/54/56/82/1021545682.db2.gz WMVLZBUGWVNFBY-OAQYLSRUSA-N 2 2 335.495 4.307 20 0 EIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2ccccc21 ZINC000683783429 1021545706 /nfs/dbraw/zinc/54/57/06/1021545706.db2.gz WMVLZBUGWVNFBY-OAQYLSRUSA-N 2 2 335.495 4.307 20 0 EIADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000414057107 1021748799 /nfs/dbraw/zinc/74/87/99/1021748799.db2.gz FFDQSDKAOSYBFG-RTBURBONSA-N 2 2 341.499 4.003 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCCC1 ZINC000414071498 1021800271 /nfs/dbraw/zinc/80/02/71/1021800271.db2.gz LXOAWHAZJWLQNS-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000580302500 1021829784 /nfs/dbraw/zinc/82/97/84/1021829784.db2.gz WXTRPZISMMDWRZ-IRFCIJBXSA-N 2 2 337.511 4.268 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379633441 1021846742 /nfs/dbraw/zinc/84/67/42/1021846742.db2.gz UMIMIUMMIIVYDH-FOIQADDNSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379633441 1021846747 /nfs/dbraw/zinc/84/67/47/1021846747.db2.gz UMIMIUMMIIVYDH-FOIQADDNSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305867 1021889939 /nfs/dbraw/zinc/88/99/39/1021889939.db2.gz DDMKJFVYPCKPBI-CRAIPNDOSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cncs1 ZINC000282305867 1021889943 /nfs/dbraw/zinc/88/99/43/1021889943.db2.gz DDMKJFVYPCKPBI-CRAIPNDOSA-N 2 2 329.513 4.094 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000174513094 1022095705 /nfs/dbraw/zinc/09/57/05/1022095705.db2.gz IWOADXZDAYRVHA-UONOGXRCSA-N 2 2 341.480 4.129 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000174513094 1022095725 /nfs/dbraw/zinc/09/57/25/1022095725.db2.gz IWOADXZDAYRVHA-UONOGXRCSA-N 2 2 341.480 4.129 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471593614 1022200386 /nfs/dbraw/zinc/20/03/86/1022200386.db2.gz MJBLPSVVUAWZAB-BQFCYCMXSA-N 2 2 344.524 4.318 20 0 EIADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471593614 1022200396 /nfs/dbraw/zinc/20/03/96/1022200396.db2.gz MJBLPSVVUAWZAB-BQFCYCMXSA-N 2 2 344.524 4.318 20 0 EIADLP C[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000924576632 1022327104 /nfs/dbraw/zinc/32/71/04/1022327104.db2.gz VFYCYCKDUHCKPL-GOSISDBHSA-N 2 2 336.838 4.040 20 0 EIADLP Clc1ccsc1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000376470490 1022783127 /nfs/dbraw/zinc/78/31/27/1022783127.db2.gz DHFXXONINMFUTP-UHFFFAOYSA-N 2 2 326.918 4.217 20 0 EIADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000376476597 1022800861 /nfs/dbraw/zinc/80/08/61/1022800861.db2.gz IIDFFTZKMSQTNA-OXQOHEQNSA-N 2 2 344.524 4.078 20 0 EIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000376492029 1022833806 /nfs/dbraw/zinc/83/38/06/1022833806.db2.gz OEPJWSGZOWKCOO-GOEBONIOSA-N 2 2 339.439 4.002 20 0 EIADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000376492023 1022833826 /nfs/dbraw/zinc/83/38/26/1022833826.db2.gz OEPJWSGZOWKCOO-GDBMZVCRSA-N 2 2 339.439 4.002 20 0 EIADLP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000581291057 1022970083 /nfs/dbraw/zinc/97/00/83/1022970083.db2.gz VJDGIAAQBZXWKD-IEBWSBKVSA-N 2 2 331.891 4.318 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143505964 1023028677 /nfs/dbraw/zinc/02/86/77/1023028677.db2.gz QMOBTSHOIKVSOR-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143505964 1023028686 /nfs/dbraw/zinc/02/86/86/1023028686.db2.gz QMOBTSHOIKVSOR-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 ZINC000363998390 1023108609 /nfs/dbraw/zinc/10/86/09/1023108609.db2.gz CKNHUERPZPQIET-APWZRJJASA-N 2 2 343.540 4.223 20 0 EIADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 ZINC000363998390 1023108623 /nfs/dbraw/zinc/10/86/23/1023108623.db2.gz CKNHUERPZPQIET-APWZRJJASA-N 2 2 343.540 4.223 20 0 EIADLP CSc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000641742430 1023177215 /nfs/dbraw/zinc/17/72/15/1023177215.db2.gz LENPVPAYHANAPG-GOSISDBHSA-N 2 2 341.480 4.346 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001203155912 1023245865 /nfs/dbraw/zinc/24/58/65/1023245865.db2.gz MAZVLZHUGMSLRN-FQEVSTJZSA-N 2 2 342.527 4.287 20 0 EIADLP CC1(C)CCc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001203155912 1023245875 /nfs/dbraw/zinc/24/58/75/1023245875.db2.gz MAZVLZHUGMSLRN-FQEVSTJZSA-N 2 2 342.527 4.287 20 0 EIADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034249 1023402516 /nfs/dbraw/zinc/40/25/16/1023402516.db2.gz CLTYFKNSNKWGIW-MJGOQNOKSA-N 2 2 341.524 4.083 20 0 EIADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415034249 1023402521 /nfs/dbraw/zinc/40/25/21/1023402521.db2.gz CLTYFKNSNKWGIW-MJGOQNOKSA-N 2 2 341.524 4.083 20 0 EIADLP COc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2Cl)c1 ZINC000415086215 1023435351 /nfs/dbraw/zinc/43/53/51/1023435351.db2.gz RRQRWYXBDPAIJM-FOIQADDNSA-N 2 2 344.886 4.027 20 0 EIADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000415092970 1023439351 /nfs/dbraw/zinc/43/93/51/1023439351.db2.gz UMVGAEJUYPWNOI-MGPUTAFESA-N 2 2 344.886 4.027 20 0 EIADLP Cc1sc([C@@H](C)[NH2+]C2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000415091743 1023443115 /nfs/dbraw/zinc/44/31/15/1023443115.db2.gz ZUZVEXJYZKATGM-LLVKDONJSA-N 2 2 335.904 4.175 20 0 EIADLP C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319190739 1023473384 /nfs/dbraw/zinc/47/33/84/1023473384.db2.gz XRPAFZZVFHELTG-ZDUSSCGKSA-N 2 2 331.872 4.481 20 0 EIADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000564958809 1023530140 /nfs/dbraw/zinc/53/01/40/1023530140.db2.gz LBSRUWVHQPCHJE-IBGZPJMESA-N 2 2 342.433 4.252 20 0 EIADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000564958809 1023530147 /nfs/dbraw/zinc/53/01/47/1023530147.db2.gz LBSRUWVHQPCHJE-IBGZPJMESA-N 2 2 342.433 4.252 20 0 EIADLP Cc1ccc([C@@H](C2CC2)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000377688615 1023687148 /nfs/dbraw/zinc/68/71/48/1023687148.db2.gz AFPXSLHYNQRNEL-VABKMULXSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@@H](C2CC2)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000377688615 1023687152 /nfs/dbraw/zinc/68/71/52/1023687152.db2.gz AFPXSLHYNQRNEL-VABKMULXSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@@H](C2CC2)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377688615 1023687154 /nfs/dbraw/zinc/68/71/54/1023687154.db2.gz AFPXSLHYNQRNEL-VABKMULXSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@@H](C2CC2)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377688615 1023687159 /nfs/dbraw/zinc/68/71/59/1023687159.db2.gz AFPXSLHYNQRNEL-VABKMULXSA-N 2 2 349.522 4.466 20 0 EIADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C2CC2)cc1 ZINC000377691849 1023692016 /nfs/dbraw/zinc/69/20/16/1023692016.db2.gz IMRIXFYBSAAIRZ-FKBYEOEOSA-N 2 2 335.495 4.124 20 0 EIADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C2CC2)cc1 ZINC000377691849 1023692021 /nfs/dbraw/zinc/69/20/21/1023692021.db2.gz IMRIXFYBSAAIRZ-FKBYEOEOSA-N 2 2 335.495 4.124 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000377750836 1023741683 /nfs/dbraw/zinc/74/16/83/1023741683.db2.gz WTCJWEDELPJKBG-IRXDYDNUSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000377750836 1023741698 /nfs/dbraw/zinc/74/16/98/1023741698.db2.gz WTCJWEDELPJKBG-IRXDYDNUSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2ccc(O)cc2)c(C)c1 ZINC000511715456 1023841045 /nfs/dbraw/zinc/84/10/45/1023841045.db2.gz ZEYFGVAQZMYGNX-AVRDEDQJSA-N 2 2 349.478 4.168 20 0 EIADLP CC(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000341644661 1024095894 /nfs/dbraw/zinc/09/58/94/1024095894.db2.gz YUJMAENGUVEHGE-MRXNPFEDSA-N 2 2 325.378 4.279 20 0 EIADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807057 1024161917 /nfs/dbraw/zinc/16/19/17/1024161917.db2.gz DQFGLGCIPNNWTH-MRXNPFEDSA-N 2 2 348.535 4.016 20 0 EIADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807054 1024162951 /nfs/dbraw/zinc/16/29/51/1024162951.db2.gz DQFGLGCIPNNWTH-INIZCTEOSA-N 2 2 348.535 4.016 20 0 EIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949291 1024319631 /nfs/dbraw/zinc/31/96/31/1024319631.db2.gz IGAMDDKDNDTWJV-KRWDZBQOSA-N 2 2 334.479 4.280 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCOc3cc(Cl)ccc31)CCC2 ZINC000341702471 1024352914 /nfs/dbraw/zinc/35/29/14/1024352914.db2.gz XJLJOLTXCFPQAE-RHSMWYFYSA-N 2 2 345.874 4.226 20 0 EIADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000341706861 1024360481 /nfs/dbraw/zinc/36/04/81/1024360481.db2.gz ISEQYLZQGZXJCN-QGZVFWFLSA-N 2 2 345.874 4.431 20 0 EIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250730 1024762335 /nfs/dbraw/zinc/76/23/35/1024762335.db2.gz MLNQFNFFSPNZEV-GFCCVEGCSA-N 2 2 333.278 4.343 20 0 EIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250730 1024762345 /nfs/dbraw/zinc/76/23/45/1024762345.db2.gz MLNQFNFFSPNZEV-GFCCVEGCSA-N 2 2 333.278 4.343 20 0 EIADLP CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511923656 1024801542 /nfs/dbraw/zinc/80/15/42/1024801542.db2.gz AKHPEWJKAASXQJ-XLIONFOSSA-N 2 2 343.540 4.254 20 0 EIADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587644 1024822946 /nfs/dbraw/zinc/82/29/46/1024822946.db2.gz KBKLPBBOQKXXQK-QGZVFWFLSA-N 2 2 335.561 4.210 20 0 EIADLP CC(C)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587644 1024822947 /nfs/dbraw/zinc/82/29/47/1024822947.db2.gz KBKLPBBOQKXXQK-QGZVFWFLSA-N 2 2 335.561 4.210 20 0 EIADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121357343 1025207657 /nfs/dbraw/zinc/20/76/57/1025207657.db2.gz YXJHOWQYENDQPM-KRWDZBQOSA-N 2 2 339.483 4.188 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(SC(F)F)cc1)C2 ZINC000151044327 1025260019 /nfs/dbraw/zinc/26/00/19/1025260019.db2.gz QRQCDHQJVIFYDD-TZMCWYRMSA-N 2 2 337.439 4.172 20 0 EIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(SC(F)F)cc1)C2 ZINC000151044168 1025260716 /nfs/dbraw/zinc/26/07/16/1025260716.db2.gz QRQCDHQJVIFYDD-JSGCOSHPSA-N 2 2 337.439 4.172 20 0 EIADLP C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000511988223 1025428040 /nfs/dbraw/zinc/42/80/40/1025428040.db2.gz GTURRNSJHWSAMS-PZPSRYQVSA-N 2 2 349.931 4.345 20 0 EIADLP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cc2c1C ZINC000472055397 1025536259 /nfs/dbraw/zinc/53/62/59/1025536259.db2.gz VQKFOKMUPWHOIN-UHFFFAOYSA-N 2 2 330.435 4.260 20 0 EIADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc4ccccc43)CC2)c1 ZINC000519191595 1025571896 /nfs/dbraw/zinc/57/18/96/1025571896.db2.gz GQUADNZWPCLHRK-KRWDZBQOSA-N 2 2 347.462 4.127 20 0 EIADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)s1 ZINC000512047239 1025842607 /nfs/dbraw/zinc/84/26/07/1025842607.db2.gz YFDYFLIYWVUGOT-UHFFFAOYSA-N 2 2 349.931 4.417 20 0 EIADLP Cc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2)c1 ZINC000511048363 1025850737 /nfs/dbraw/zinc/85/07/37/1025850737.db2.gz OQNHHGNEKNOBAP-PZJWPPBQSA-N 2 2 335.426 4.025 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412826 1025881236 /nfs/dbraw/zinc/88/12/36/1025881236.db2.gz DFSVODUAQGEHCK-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412826 1025881237 /nfs/dbraw/zinc/88/12/37/1025881237.db2.gz DFSVODUAQGEHCK-KGLIPLIRSA-N 2 2 345.314 4.145 20 0 EIADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000187694231 1025882727 /nfs/dbraw/zinc/88/27/27/1025882727.db2.gz PUVSYPWTDAXLQF-AWEZNQCLSA-N 2 2 342.668 4.040 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450806 1026036970 /nfs/dbraw/zinc/03/69/70/1026036970.db2.gz YEJVGOZGBCWKKH-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450806 1026036989 /nfs/dbraw/zinc/03/69/89/1026036989.db2.gz YEJVGOZGBCWKKH-KBPBESRZSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303727059 1026187876 /nfs/dbraw/zinc/18/78/76/1026187876.db2.gz CKXIIJDWCCTTQV-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303727059 1026187886 /nfs/dbraw/zinc/18/78/86/1026187886.db2.gz CKXIIJDWCCTTQV-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727059 1026187894 /nfs/dbraw/zinc/18/78/94/1026187894.db2.gz CKXIIJDWCCTTQV-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000303727059 1026187898 /nfs/dbraw/zinc/18/78/98/1026187898.db2.gz CKXIIJDWCCTTQV-DYESRHJHSA-N 2 2 326.459 4.311 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCS2 ZINC000152216088 1026201213 /nfs/dbraw/zinc/20/12/13/1026201213.db2.gz IYRDWMWOTGGZHU-QGZVFWFLSA-N 2 2 339.439 4.338 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OC(F)F ZINC000152235350 1026238371 /nfs/dbraw/zinc/23/83/71/1026238371.db2.gz KNURRSNWQMPWKG-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000152259850 1026260111 /nfs/dbraw/zinc/26/01/11/1026260111.db2.gz SNTJTBGVJUTVCP-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167894477 1026657600 /nfs/dbraw/zinc/65/76/00/1026657600.db2.gz OBSSDYYBKPAWAS-JLVBRIDZSA-N 2 2 338.417 4.058 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCO2 ZINC000158408654 1026719351 /nfs/dbraw/zinc/71/93/51/1026719351.db2.gz PJEUDPPOUVBSLQ-FQEVSTJZSA-N 2 2 333.435 4.048 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000507520083 1026824828 /nfs/dbraw/zinc/82/48/28/1026824828.db2.gz MZQSGKHCUXRAHY-SJORKVTESA-N 2 2 343.540 4.268 20 0 EIADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000507520083 1026824832 /nfs/dbraw/zinc/82/48/32/1026824832.db2.gz MZQSGKHCUXRAHY-SJORKVTESA-N 2 2 343.540 4.268 20 0 EIADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc12 ZINC000152757064 1026838362 /nfs/dbraw/zinc/83/83/62/1026838362.db2.gz ZJSMHSWCEBXDHU-INIZCTEOSA-N 2 2 349.478 4.275 20 0 EIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152800115 1026849373 /nfs/dbraw/zinc/84/93/73/1026849373.db2.gz HSWJOTHROAYVKR-ZDUSSCGKSA-N 2 2 346.544 4.175 20 0 EIADLP COc1ccc2cc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000152825888 1026853490 /nfs/dbraw/zinc/85/34/90/1026853490.db2.gz GSOJPYCBMMBMJJ-MRXNPFEDSA-N 2 2 349.478 4.275 20 0 EIADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000582621096 1026868753 /nfs/dbraw/zinc/86/87/53/1026868753.db2.gz DAEWMRGGKNTYQU-LJQANCHMSA-N 2 2 337.854 4.308 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684956361 1026890605 /nfs/dbraw/zinc/89/06/05/1026890605.db2.gz BVETVHXUXGBJJK-DYESRHJHSA-N 2 2 335.495 4.274 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000474480441 1027113499 /nfs/dbraw/zinc/11/34/99/1027113499.db2.gz UYMOKYIAETZXGF-CYBMUJFWSA-N 2 2 326.271 4.191 20 0 EIADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000474489111 1027141954 /nfs/dbraw/zinc/14/19/54/1027141954.db2.gz NPKLITKNDYLYGU-OWCLPIDISA-N 2 2 333.545 4.354 20 0 EIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000077482360 1027157878 /nfs/dbraw/zinc/15/78/78/1027157878.db2.gz DUCNCFPNIJGYHZ-CQSZACIVSA-N 2 2 326.406 4.327 20 0 EIADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000302033450 1027194045 /nfs/dbraw/zinc/19/40/45/1027194045.db2.gz KZUDCVZARYHRAG-YWZLYKJASA-N 2 2 334.467 4.390 20 0 EIADLP Cc1ccc(N2CCC(Nc3cc[nH+]c4cc(F)ccc34)CC2)[nH+]c1 ZINC000078305758 1027296043 /nfs/dbraw/zinc/29/60/43/1027296043.db2.gz RCTNLRVFFWAYSB-UHFFFAOYSA-N 2 2 336.414 4.158 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474869100 1027701095 /nfs/dbraw/zinc/70/10/95/1027701095.db2.gz NPUBAVWVMAJGRO-MELADBBJSA-N 2 2 335.904 4.380 20 0 EIADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921564 1027802075 /nfs/dbraw/zinc/80/20/75/1027802075.db2.gz DAXZWKCQAKUHSH-JXFKEZNVSA-N 2 2 332.557 4.018 20 0 EIADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000474921564 1027802078 /nfs/dbraw/zinc/80/20/78/1027802078.db2.gz DAXZWKCQAKUHSH-JXFKEZNVSA-N 2 2 332.557 4.018 20 0 EIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000153648679 1027819768 /nfs/dbraw/zinc/81/97/68/1027819768.db2.gz HFGRMIQKBCHQIO-KRWDZBQOSA-N 2 2 339.414 4.408 20 0 EIADLP C[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000444667181 1027950998 /nfs/dbraw/zinc/95/09/98/1027950998.db2.gz SEBADYRRBFCSPQ-YJBOKZPZSA-N 2 2 344.528 4.470 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000444667181 1027951020 /nfs/dbraw/zinc/95/10/20/1027951020.db2.gz SEBADYRRBFCSPQ-YJBOKZPZSA-N 2 2 344.528 4.470 20 0 EIADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153831537 1027988344 /nfs/dbraw/zinc/98/83/44/1027988344.db2.gz PXEFVCBZHHAEOV-FXAWDEMLSA-N 2 2 340.515 4.124 20 0 EIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Br ZINC000523851819 1028420583 /nfs/dbraw/zinc/42/05/83/1028420583.db2.gz DTPVVROFHFCFOT-BBRMVZONSA-N 2 2 341.337 4.466 20 0 EIADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000156219885 1028672322 /nfs/dbraw/zinc/67/23/22/1028672322.db2.gz PUXJDAQVTNYCEV-HXUWFJFHSA-N 2 2 339.483 4.190 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000156376888 1028720184 /nfs/dbraw/zinc/72/01/84/1028720184.db2.gz OTQPRYZSKQVZED-RYQLBKOJSA-N 2 2 329.513 4.094 20 0 EIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000156376888 1028720190 /nfs/dbraw/zinc/72/01/90/1028720190.db2.gz OTQPRYZSKQVZED-RYQLBKOJSA-N 2 2 329.513 4.094 20 0 EIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000583470541 1028779172 /nfs/dbraw/zinc/77/91/72/1028779172.db2.gz RUJANLVWWDIQDN-RBBKRZOGSA-N 2 2 345.490 4.457 20 0 EIADLP CC[N@H+](CCCCOC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000475055205 1028875953 /nfs/dbraw/zinc/87/59/53/1028875953.db2.gz YCSWAYPQKZVFRK-UHFFFAOYSA-N 2 2 347.547 4.215 20 0 EIADLP CC[N@@H+](CCCCOC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000475055205 1028875962 /nfs/dbraw/zinc/87/59/62/1028875962.db2.gz YCSWAYPQKZVFRK-UHFFFAOYSA-N 2 2 347.547 4.215 20 0 EIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000151108785 1029054758 /nfs/dbraw/zinc/05/47/58/1029054758.db2.gz HCTAEXWZNBJBGF-GOSISDBHSA-N 2 2 335.451 4.203 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000536164140 1029389188 /nfs/dbraw/zinc/38/91/88/1029389188.db2.gz QWXFPYNPJATZHO-PMUMKWKESA-N 2 2 333.476 4.016 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cn1 ZINC000536164140 1029389201 /nfs/dbraw/zinc/38/92/01/1029389201.db2.gz QWXFPYNPJATZHO-PMUMKWKESA-N 2 2 333.476 4.016 20 0 EIADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151341035 1029487630 /nfs/dbraw/zinc/48/76/30/1029487630.db2.gz DRVHSHUZUWTAPU-ZWKOTPCHSA-N 2 2 349.478 4.222 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657818650 1029517730 /nfs/dbraw/zinc/51/77/30/1029517730.db2.gz WOSYZFXOZKRVRS-HNNXBMFYSA-N 2 2 345.437 4.334 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1C ZINC000475329507 1029538926 /nfs/dbraw/zinc/53/89/26/1029538926.db2.gz LYLZVGBBMFLMPS-ARXVPCOYSA-N 2 2 332.454 4.206 20 0 EIADLP Brc1cccc2c(NC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000301206524 1029687669 /nfs/dbraw/zinc/68/76/69/1029687669.db2.gz ZJIYILTVLAVKND-UHFFFAOYSA-N 2 2 346.272 4.036 20 0 EIADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000584322701 1029731802 /nfs/dbraw/zinc/73/18/02/1029731802.db2.gz CTDRMVOVNIJAFJ-OWBHPGMISA-N 2 2 347.409 4.294 20 0 EIADLP COc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc(C)[nH+]c12 ZINC000301694957 1029791687 /nfs/dbraw/zinc/79/16/87/1029791687.db2.gz YDURGGUQSHPQNW-SJORKVTESA-N 2 2 339.483 4.003 20 0 EIADLP COc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc(C)[nH+]c12 ZINC000301694957 1029791699 /nfs/dbraw/zinc/79/16/99/1029791699.db2.gz YDURGGUQSHPQNW-SJORKVTESA-N 2 2 339.483 4.003 20 0 EIADLP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090100585 1029863592 /nfs/dbraw/zinc/86/35/92/1029863592.db2.gz XWYOPSLSNMATOR-UXHICEINSA-N 2 2 339.458 4.115 20 0 EIADLP c1cn(-c2ccc(C[NH2+]C3(CCOCc4ccccc4)CC3)cc2)c[nH+]1 ZINC000340600419 1030193828 /nfs/dbraw/zinc/19/38/28/1030193828.db2.gz LYSZEAWDRRJYMZ-UHFFFAOYSA-N 2 2 347.462 4.101 20 0 EIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001168163794 1030205322 /nfs/dbraw/zinc/20/53/22/1030205322.db2.gz CEDYQKPMDDHYLZ-HNNXBMFYSA-N 2 2 346.877 4.360 20 0 EIADLP Cc1ccc(N2CCC([NH2+][C@H](C)c3csc(C(C)C)n3)CC2)[nH+]c1 ZINC000186355709 1030277705 /nfs/dbraw/zinc/27/77/05/1030277705.db2.gz BFCBIPSOKLIZTD-OAHLLOKOSA-N 2 2 344.528 4.290 20 0 EIADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000303738332 1030309877 /nfs/dbraw/zinc/30/98/77/1030309877.db2.gz XNYCAEHBKWLWAH-FQEVSTJZSA-N 2 2 335.476 4.162 20 0 EIADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000303738332 1030309887 /nfs/dbraw/zinc/30/98/87/1030309887.db2.gz XNYCAEHBKWLWAH-FQEVSTJZSA-N 2 2 335.476 4.162 20 0 EIADLP CC[N@H+](Cc1csc(C(C)C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456714 1030334271 /nfs/dbraw/zinc/33/42/71/1030334271.db2.gz MSOQWXXBCHTEAV-UHFFFAOYSA-N 2 2 331.529 4.350 20 0 EIADLP CC[N@@H+](Cc1csc(C(C)C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456714 1030334292 /nfs/dbraw/zinc/33/42/92/1030334292.db2.gz MSOQWXXBCHTEAV-UHFFFAOYSA-N 2 2 331.529 4.350 20 0 EIADLP C[C@H](Cc1ccc(Cl)cc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168169509 1030454454 /nfs/dbraw/zinc/45/44/54/1030454454.db2.gz YWPROPLBOBJHAI-ATZDWAIDSA-N 2 2 343.902 4.443 20 0 EIADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189462583 1030466224 /nfs/dbraw/zinc/46/62/24/1030466224.db2.gz LHBPBAVLKVNEII-JXFKEZNVSA-N 2 2 333.435 4.355 20 0 EIADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648456801 1030504488 /nfs/dbraw/zinc/50/44/88/1030504488.db2.gz RZINFFGAJAOOLI-CVEARBPZSA-N 2 2 341.499 4.038 20 0 EIADLP c1cn(-c2ccc(C[NH+]3CCC(OC4CCCCC4)CC3)cc2)c[nH+]1 ZINC000101548130 1030720712 /nfs/dbraw/zinc/72/07/12/1030720712.db2.gz IPMNMLHQTGMJOJ-UHFFFAOYSA-N 2 2 339.483 4.186 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657980204 1030732722 /nfs/dbraw/zinc/73/27/22/1030732722.db2.gz LRKUFIVNMYEGJO-UWWQBHOKSA-N 2 2 329.875 4.167 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020526 1030781193 /nfs/dbraw/zinc/78/11/93/1030781193.db2.gz VTHMGZFNSBZTME-UKPHBRMFSA-N 2 2 329.875 4.236 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020523 1030781855 /nfs/dbraw/zinc/78/18/55/1030781855.db2.gz VTHMGZFNSBZTME-JLJPHGGASA-N 2 2 329.875 4.236 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000648462521 1030781965 /nfs/dbraw/zinc/78/19/65/1030781965.db2.gz CYNIJSLIGZBHPX-VXKWHMMOSA-N 2 2 345.490 4.241 20 0 EIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)C(F)F ZINC000658023024 1030785510 /nfs/dbraw/zinc/78/55/10/1030785510.db2.gz HSODMUKNEALNTB-LLVKDONJSA-N 2 2 327.806 4.295 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC(C2CCC2)C2CCC2)CC1 ZINC000527737211 1030836849 /nfs/dbraw/zinc/83/68/49/1030836849.db2.gz TZSXHKUFQYXLKH-UHFFFAOYSA-N 2 2 332.454 4.209 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527934850 1030979177 /nfs/dbraw/zinc/97/91/77/1030979177.db2.gz LETIOZFOZHOZFB-INIZCTEOSA-N 2 2 332.451 4.267 20 0 EIADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C3CCCCC3)s1)CCC2 ZINC000531212964 1030987091 /nfs/dbraw/zinc/98/70/91/1030987091.db2.gz LOCMTWYZZGLGIM-OAHLLOKOSA-N 2 2 330.501 4.055 20 0 EIADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355241 1031206709 /nfs/dbraw/zinc/20/67/09/1031206709.db2.gz NXLSDKCHWMRPEW-HSALFYBXSA-N 2 2 342.483 4.091 20 0 EIADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc(C)o1 ZINC000340355241 1031206730 /nfs/dbraw/zinc/20/67/30/1031206730.db2.gz NXLSDKCHWMRPEW-HSALFYBXSA-N 2 2 342.483 4.091 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@@H]1c1ccccc1 ZINC000340295789 1031207077 /nfs/dbraw/zinc/20/70/77/1031207077.db2.gz QLXRPDWSNRMHIT-YSIASYRMSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C[C@@H]1c1ccccc1 ZINC000340295789 1031207103 /nfs/dbraw/zinc/20/71/03/1031207103.db2.gz QLXRPDWSNRMHIT-YSIASYRMSA-N 2 2 340.442 4.074 20 0 EIADLP Cc1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)nc2ccccc12 ZINC000375809217 1031271870 /nfs/dbraw/zinc/27/18/70/1031271870.db2.gz DULUWVJKOBDADU-QGZVFWFLSA-N 2 2 349.482 4.095 20 0 EIADLP Cc1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)nc2ccccc12 ZINC000375809217 1031271887 /nfs/dbraw/zinc/27/18/87/1031271887.db2.gz DULUWVJKOBDADU-QGZVFWFLSA-N 2 2 349.482 4.095 20 0 EIADLP C[C@@]1(C[NH2+]Cc2ccc(C(F)F)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000631114964 1031402938 /nfs/dbraw/zinc/40/29/38/1031402938.db2.gz FOJWSDHBWRAARS-FQEVSTJZSA-N 2 2 345.437 4.164 20 0 EIADLP C[C@@]1(C[NH2+]Cc2ccc(C(F)F)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000631114964 1031402950 /nfs/dbraw/zinc/40/29/50/1031402950.db2.gz FOJWSDHBWRAARS-FQEVSTJZSA-N 2 2 345.437 4.164 20 0 EIADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000449084444 1031412701 /nfs/dbraw/zinc/41/27/01/1031412701.db2.gz XXZDYXRZGIQURS-HZPDHXFCSA-N 2 2 343.540 4.219 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCCC23CCC3)CCOCC1)c1ccccc1 ZINC000449158505 1031487981 /nfs/dbraw/zinc/48/79/81/1031487981.db2.gz UKPFKBGXFLQADV-AZUAARDMSA-N 2 2 342.527 4.199 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000449156722 1031488582 /nfs/dbraw/zinc/48/85/82/1031488582.db2.gz OOSMUNUUMWMOKE-ZWKOTPCHSA-N 2 2 332.532 4.301 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000449210327 1031534962 /nfs/dbraw/zinc/53/49/62/1031534962.db2.gz QCJLFAGLZMRAQI-WKRCXCSHSA-N 2 2 329.532 4.411 20 0 EIADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc2ccccc21 ZINC000449229725 1031562245 /nfs/dbraw/zinc/56/22/45/1031562245.db2.gz DKHSYFDTCLGIQR-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc2ccccc21 ZINC000449229725 1031562263 /nfs/dbraw/zinc/56/22/63/1031562263.db2.gz DKHSYFDTCLGIQR-QGZVFWFLSA-N 2 2 349.478 4.037 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cncc(F)c1 ZINC000125160228 1031575098 /nfs/dbraw/zinc/57/50/98/1031575098.db2.gz XNADHELPFSCIJE-HOTGVXAUSA-N 2 2 327.447 4.097 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@H](C2CC2)C2CCC2)CCOCC1)c1ccccc1 ZINC000453106834 1031598779 /nfs/dbraw/zinc/59/87/79/1031598779.db2.gz FPEWBYHYXBJXGA-UWJYYQICSA-N 2 2 342.527 4.055 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112155 1031603275 /nfs/dbraw/zinc/60/32/75/1031603275.db2.gz STOPCEMKEQFIAJ-XLIONFOSSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112155 1031603285 /nfs/dbraw/zinc/60/32/85/1031603285.db2.gz STOPCEMKEQFIAJ-XLIONFOSSA-N 2 2 346.540 4.417 20 0 EIADLP c1cc2cccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2o1 ZINC000449304475 1031611338 /nfs/dbraw/zinc/61/13/38/1031611338.db2.gz BGNBBMLDHGAEAQ-SFHVURJKSA-N 2 2 335.451 4.345 20 0 EIADLP c1cc2cccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2o1 ZINC000449304475 1031611347 /nfs/dbraw/zinc/61/13/47/1031611347.db2.gz BGNBBMLDHGAEAQ-SFHVURJKSA-N 2 2 335.451 4.345 20 0 EIADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449353152 1031673931 /nfs/dbraw/zinc/67/39/31/1031673931.db2.gz YNCKWQXBDYJAMM-SFHVURJKSA-N 2 2 327.428 4.240 20 0 EIADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449353151 1031674605 /nfs/dbraw/zinc/67/46/05/1031674605.db2.gz YNCKWQXBDYJAMM-GOSISDBHSA-N 2 2 327.428 4.240 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453257075 1031778753 /nfs/dbraw/zinc/77/87/53/1031778753.db2.gz URYISAAFTYPVSW-QMHWCDLVSA-N 2 2 349.522 4.002 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000453257075 1031778767 /nfs/dbraw/zinc/77/87/67/1031778767.db2.gz URYISAAFTYPVSW-QMHWCDLVSA-N 2 2 349.522 4.002 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000531932701 1031840791 /nfs/dbraw/zinc/84/07/91/1031840791.db2.gz DXLXWQHBPWNESZ-NRFANRHFSA-N 2 2 344.543 4.399 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531941103 1031854080 /nfs/dbraw/zinc/85/40/80/1031854080.db2.gz PPCGIRINQOBWTL-KRWDZBQOSA-N 2 2 335.451 4.099 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000359868160 1031895609 /nfs/dbraw/zinc/89/56/09/1031895609.db2.gz HHKUSUWNRXTYAQ-IBGZPJMESA-N 2 2 349.482 4.061 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000359868160 1031895613 /nfs/dbraw/zinc/89/56/13/1031895613.db2.gz HHKUSUWNRXTYAQ-IBGZPJMESA-N 2 2 349.482 4.061 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OC)cc1 ZINC000132174312 1031901780 /nfs/dbraw/zinc/90/17/80/1031901780.db2.gz XKOUNVGCOLZQCZ-NRFANRHFSA-N 2 2 349.478 4.223 20 0 EIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1OC ZINC000132274083 1031910317 /nfs/dbraw/zinc/91/03/17/1031910317.db2.gz RBCZQDYTIHQPOY-HXUWFJFHSA-N 2 2 349.478 4.223 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453373460 1031920144 /nfs/dbraw/zinc/92/01/44/1031920144.db2.gz OGTGHUHKZOHPDQ-DYESRHJHSA-N 2 2 346.478 4.494 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372731 1031980234 /nfs/dbraw/zinc/98/02/34/1031980234.db2.gz ZPMJIVFGQMJYDK-IAQYHMDHSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372731 1031980238 /nfs/dbraw/zinc/98/02/38/1031980238.db2.gz ZPMJIVFGQMJYDK-IAQYHMDHSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000459372731 1031980220 /nfs/dbraw/zinc/98/02/20/1031980220.db2.gz ZPMJIVFGQMJYDK-IAQYHMDHSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000459372731 1031980229 /nfs/dbraw/zinc/98/02/29/1031980229.db2.gz ZPMJIVFGQMJYDK-IAQYHMDHSA-N 2 2 345.712 4.017 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000136302704 1032051661 /nfs/dbraw/zinc/05/16/61/1032051661.db2.gz VKPRNISURXIGAO-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000136302704 1032051681 /nfs/dbraw/zinc/05/16/81/1032051681.db2.gz VKPRNISURXIGAO-UHFFFAOYSA-N 2 2 344.846 4.022 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cc2c(s1)CCC2 ZINC000152107940 1033504911 /nfs/dbraw/zinc/50/49/11/1033504911.db2.gz JHFIKBLITZUWMC-HNNXBMFYSA-N 2 2 337.492 4.332 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513340329 1034883056 /nfs/dbraw/zinc/88/30/56/1034883056.db2.gz IYIKIJDTVCUHCF-LSDHHAIUSA-N 2 2 341.421 4.009 20 0 EIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000501377671 1035433349 /nfs/dbraw/zinc/43/33/49/1035433349.db2.gz MOBIKXZFCKXDJS-HNRFISLBSA-N 2 2 337.389 4.231 20 0 EIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290235 1035499879 /nfs/dbraw/zinc/49/98/79/1035499879.db2.gz LPYZOFZVAFKCKA-STQMWFEESA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420290235 1035499885 /nfs/dbraw/zinc/49/98/85/1035499885.db2.gz LPYZOFZVAFKCKA-STQMWFEESA-N 2 2 335.904 4.023 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000163950553 1035547422 /nfs/dbraw/zinc/54/74/22/1035547422.db2.gz OQHSDRACCASCPY-INIZCTEOSA-N 2 2 344.886 4.023 20 0 EIADLP CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420368807 1035554673 /nfs/dbraw/zinc/55/46/73/1035554673.db2.gz IKRPEEDGMTXDBQ-KSSFIOAISA-N 2 2 344.503 4.264 20 0 EIADLP CCCCc1ccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420374970 1035570712 /nfs/dbraw/zinc/57/07/12/1035570712.db2.gz OLHMAXLFGJLHSM-SFHVURJKSA-N 2 2 344.503 4.093 20 0 EIADLP Cc1cc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)ccc1[C@H]1CCC[NH2+]1 ZINC000629730938 1035655888 /nfs/dbraw/zinc/65/58/88/1035655888.db2.gz BKRGDIHQDZLHQX-OAQYLSRUSA-N 2 2 335.426 4.470 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669681837 1036849799 /nfs/dbraw/zinc/84/97/99/1036849799.db2.gz MDJCEESCUVZBGQ-QXSWTLKVSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669681837 1036849800 /nfs/dbraw/zinc/84/98/00/1036849800.db2.gz MDJCEESCUVZBGQ-QXSWTLKVSA-N 2 2 338.417 4.183 20 0 EIADLP COC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000487166909 1037025983 /nfs/dbraw/zinc/02/59/83/1037025983.db2.gz XZPIBERGPMCPGL-KRWDZBQOSA-N 2 2 347.871 4.065 20 0 EIADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000271952209 1037061441 /nfs/dbraw/zinc/06/14/41/1037061441.db2.gz CCZNHDLRDIOZCE-ILZDJORESA-N 2 2 327.472 4.117 20 0 EIADLP Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272315536 1037160801 /nfs/dbraw/zinc/16/08/01/1037160801.db2.gz USZPNYJQTCOGLI-QGZVFWFLSA-N 2 2 338.499 4.094 20 0 EIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000272503189 1037203025 /nfs/dbraw/zinc/20/30/25/1037203025.db2.gz FBRVFHUGDQAGQG-UHFFFAOYSA-N 2 2 346.412 4.110 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC000272667648 1037262349 /nfs/dbraw/zinc/26/23/49/1037262349.db2.gz JNTLAJIHNWNFRY-INIZCTEOSA-N 2 2 340.433 4.113 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000573818995 1037691771 /nfs/dbraw/zinc/69/17/71/1037691771.db2.gz LNSFXQHPYSWVEU-COPCDDAFSA-N 2 2 345.490 4.256 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380584 1037732478 /nfs/dbraw/zinc/73/24/78/1037732478.db2.gz XJYDMKWGFHSNNW-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380584 1037732499 /nfs/dbraw/zinc/73/24/99/1037732499.db2.gz XJYDMKWGFHSNNW-HUUCEWRRSA-N 2 2 345.437 4.438 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422743177 1037822460 /nfs/dbraw/zinc/82/24/60/1037822460.db2.gz RAEQHQRRCWZGKK-OZVIIMIRSA-N 2 2 333.476 4.049 20 0 EIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503592720 1037833186 /nfs/dbraw/zinc/83/31/86/1037833186.db2.gz PFWJETKNRBMNFP-KRWDZBQOSA-N 2 2 328.456 4.282 20 0 EIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503592720 1037833190 /nfs/dbraw/zinc/83/31/90/1037833190.db2.gz PFWJETKNRBMNFP-KRWDZBQOSA-N 2 2 328.456 4.282 20 0 EIADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000422837714 1037843105 /nfs/dbraw/zinc/84/31/05/1037843105.db2.gz VHDWMWPRGNODSU-IXDOHACOSA-N 2 2 332.394 4.474 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885705 1037854718 /nfs/dbraw/zinc/85/47/18/1037854718.db2.gz UZHWUEWLEJXHDK-VSDWSMLSSA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422885705 1037854720 /nfs/dbraw/zinc/85/47/20/1037854720.db2.gz UZHWUEWLEJXHDK-VSDWSMLSSA-N 3 2 349.522 4.295 20 0 EIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422874199 1037858465 /nfs/dbraw/zinc/85/84/65/1037858465.db2.gz CGFMFZGQGORYSN-ZQMYSKGWSA-N 3 2 349.522 4.153 20 0 EIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422874199 1037858472 /nfs/dbraw/zinc/85/84/72/1037858472.db2.gz CGFMFZGQGORYSN-ZQMYSKGWSA-N 3 2 349.522 4.153 20 0 EIADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423046531 1037907818 /nfs/dbraw/zinc/90/78/18/1037907818.db2.gz FMOHGRMUHYGILN-HNNXBMFYSA-N 2 2 335.451 4.285 20 0 EIADLP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Br)s1 ZINC000423055907 1037924303 /nfs/dbraw/zinc/92/43/03/1037924303.db2.gz DYQWRLHMAQFQKS-JIMOISOXSA-N 2 2 337.286 4.306 20 0 EIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246122 1038076758 /nfs/dbraw/zinc/07/67/58/1038076758.db2.gz PHILJKRCFDWWEB-RDTXWAMCSA-N 2 2 337.492 4.469 20 0 EIADLP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001168402832 1038178794 /nfs/dbraw/zinc/17/87/94/1038178794.db2.gz HBGMCUYWOYPGLG-VXKWHMMOSA-N 2 2 338.470 4.110 20 0 EIADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001168402834 1038181287 /nfs/dbraw/zinc/18/12/87/1038181287.db2.gz HBGMCUYWOYPGLG-YADHBBJMSA-N 2 2 338.470 4.110 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC[NH2+]1 ZINC000423377510 1038191479 /nfs/dbraw/zinc/19/14/79/1038191479.db2.gz LUASSVSAIUQHOX-ZNOIYHFQSA-N 2 2 332.850 4.299 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395184 1038202634 /nfs/dbraw/zinc/20/26/34/1038202634.db2.gz NGESZXGOKITFQF-HTAPYJJXSA-N 2 2 333.479 4.236 20 0 EIADLP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2Cl)cc1 ZINC000423396980 1038205670 /nfs/dbraw/zinc/20/56/70/1038205670.db2.gz NYUXOENFZHXXHA-GKCIPKSASA-N 2 2 344.886 4.026 20 0 EIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423496133 1038264148 /nfs/dbraw/zinc/26/41/48/1038264148.db2.gz DIXBTRQTQVEGMK-DYVFJYSZSA-N 2 2 325.481 4.209 20 0 EIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)C2 ZINC000490158651 1038364321 /nfs/dbraw/zinc/36/43/21/1038364321.db2.gz SXVOGIISWTXUDO-MBSDFSHPSA-N 2 2 345.490 4.305 20 0 EIADLP CCCOc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069562 1038484590 /nfs/dbraw/zinc/48/45/90/1038484590.db2.gz CHGXWCHHPUYKID-NRFANRHFSA-N 2 2 349.478 4.283 20 0 EIADLP CSc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069318 1038485595 /nfs/dbraw/zinc/48/55/95/1038485595.db2.gz BHEJDNPGIDJXTA-IBGZPJMESA-N 2 2 337.492 4.216 20 0 EIADLP CC(C)Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000480773301 1038809924 /nfs/dbraw/zinc/80/99/24/1038809924.db2.gz JDJLPFJGKMCDQQ-KRWDZBQOSA-N 2 2 325.500 4.311 20 0 EIADLP Cc1ccc(C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000480786436 1038819079 /nfs/dbraw/zinc/81/90/79/1038819079.db2.gz ANXJCGTZSHAUTG-QHCPKHFHSA-N 2 2 345.490 4.351 20 0 EIADLP Fc1ccccc1[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000539164070 1038864758 /nfs/dbraw/zinc/86/47/58/1038864758.db2.gz NJWORDYZEUYPMB-OAQYLSRUSA-N 2 2 341.474 4.422 20 0 EIADLP CC[NH+]1CCC([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000539309543 1038950757 /nfs/dbraw/zinc/95/07/57/1038950757.db2.gz PRLSAVLCPFWURX-HXUWFJFHSA-N 2 2 342.458 4.020 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+]1C ZINC000552071542 1039099649 /nfs/dbraw/zinc/09/96/49/1039099649.db2.gz NCIXWUOSDYUGET-GOEBONIOSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+]1C ZINC000552071542 1039099670 /nfs/dbraw/zinc/09/96/70/1039099670.db2.gz NCIXWUOSDYUGET-GOEBONIOSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071542 1039099689 /nfs/dbraw/zinc/09/96/89/1039099689.db2.gz NCIXWUOSDYUGET-GOEBONIOSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071542 1039099711 /nfs/dbraw/zinc/09/97/11/1039099711.db2.gz NCIXWUOSDYUGET-GOEBONIOSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+]1C ZINC000552071543 1039101415 /nfs/dbraw/zinc/10/14/15/1039101415.db2.gz NCIXWUOSDYUGET-HOCLYGCPSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+]1C ZINC000552071543 1039101435 /nfs/dbraw/zinc/10/14/35/1039101435.db2.gz NCIXWUOSDYUGET-HOCLYGCPSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071543 1039101459 /nfs/dbraw/zinc/10/14/59/1039101459.db2.gz NCIXWUOSDYUGET-HOCLYGCPSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071543 1039101486 /nfs/dbraw/zinc/10/14/86/1039101486.db2.gz NCIXWUOSDYUGET-HOCLYGCPSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC(F)F)c1 ZINC000162866247 1039194741 /nfs/dbraw/zinc/19/47/41/1039194741.db2.gz ZWEBTIVDWQPRTR-CQSZACIVSA-N 2 2 335.398 4.226 20 0 EIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccs1 ZINC000090667069 1039272828 /nfs/dbraw/zinc/27/28/28/1039272828.db2.gz FLIVWFFRORIAGI-QAPCUYQASA-N 2 2 329.513 4.409 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667391 1039276285 /nfs/dbraw/zinc/27/62/85/1039276285.db2.gz UCOXMCHUBGJWPQ-UTKZUKDTSA-N 2 2 338.499 4.133 20 0 EIADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1Br ZINC000534296668 1039313955 /nfs/dbraw/zinc/31/39/55/1039313955.db2.gz HZFNHIYQKABMFJ-CQSZACIVSA-N 2 2 336.277 4.119 20 0 EIADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1Br ZINC000534296668 1039313973 /nfs/dbraw/zinc/31/39/73/1039313973.db2.gz HZFNHIYQKABMFJ-CQSZACIVSA-N 2 2 336.277 4.119 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546666 1039351592 /nfs/dbraw/zinc/35/15/92/1039351592.db2.gz BACGIACUGWMAQQ-WZONZLPQSA-N 2 2 349.522 4.349 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000555546666 1039351602 /nfs/dbraw/zinc/35/16/02/1039351602.db2.gz BACGIACUGWMAQQ-WZONZLPQSA-N 2 2 349.522 4.349 20 0 EIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000121805222 1039490571 /nfs/dbraw/zinc/49/05/71/1039490571.db2.gz NRZBOTJWEKREDA-SFHVURJKSA-N 2 2 334.891 4.079 20 0 EIADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648314 1039572510 /nfs/dbraw/zinc/57/25/10/1039572510.db2.gz JTXFDYJEQQAPHB-UHFFFAOYSA-N 2 2 349.482 4.029 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338353 1039616813 /nfs/dbraw/zinc/61/68/13/1039616813.db2.gz GSQXCDLQTAKUPO-YJBOKZPZSA-N 2 2 344.886 4.188 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338353 1039616826 /nfs/dbraw/zinc/61/68/26/1039616826.db2.gz GSQXCDLQTAKUPO-YJBOKZPZSA-N 2 2 344.886 4.188 20 0 EIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000414848158 1039676121 /nfs/dbraw/zinc/67/61/21/1039676121.db2.gz PRUQKHXCFKDHTR-SFHVURJKSA-N 2 2 340.496 4.051 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000093398119 1039688609 /nfs/dbraw/zinc/68/86/09/1039688609.db2.gz HDPZRCBSUOJCIX-MRXNPFEDSA-N 2 2 329.513 4.226 20 0 EIADLP c1csc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)c1 ZINC000093563979 1039714906 /nfs/dbraw/zinc/71/49/06/1039714906.db2.gz UIVMVAZBFMMHHH-OAHLLOKOSA-N 2 2 347.553 4.322 20 0 EIADLP c1csc(-c2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)s2)c1 ZINC000093563979 1039714925 /nfs/dbraw/zinc/71/49/25/1039714925.db2.gz UIVMVAZBFMMHHH-OAHLLOKOSA-N 2 2 347.553 4.322 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514234731 1039790578 /nfs/dbraw/zinc/79/05/78/1039790578.db2.gz RKANDRDQWGABRI-ZDUSSCGKSA-N 2 2 349.356 4.340 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660737 1039875320 /nfs/dbraw/zinc/87/53/20/1039875320.db2.gz JCVURHKUGJEMCO-QGZVFWFLSA-N 2 2 332.875 4.277 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660737 1039875323 /nfs/dbraw/zinc/87/53/23/1039875323.db2.gz JCVURHKUGJEMCO-QGZVFWFLSA-N 2 2 332.875 4.277 20 0 EIADLP CC[NH+](Cc1ccc(Cl)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660737 1039875324 /nfs/dbraw/zinc/87/53/24/1039875324.db2.gz JCVURHKUGJEMCO-QGZVFWFLSA-N 2 2 332.875 4.277 20 0 EIADLP CC[NH+](Cc1ccc(Cl)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660737 1039875328 /nfs/dbraw/zinc/87/53/28/1039875328.db2.gz JCVURHKUGJEMCO-QGZVFWFLSA-N 2 2 332.875 4.277 20 0 EIADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162892851 1039934718 /nfs/dbraw/zinc/93/47/18/1039934718.db2.gz IOUXVLRJNRRKEN-IRXDYDNUSA-N 2 2 327.472 4.064 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998806 1039940719 /nfs/dbraw/zinc/94/07/19/1039940719.db2.gz JIXBGOSKATWSSH-GOTSBHOMSA-N 2 2 349.522 4.423 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000481998806 1039940737 /nfs/dbraw/zinc/94/07/37/1039940737.db2.gz JIXBGOSKATWSSH-GOTSBHOMSA-N 2 2 349.522 4.423 20 0 EIADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2c(C)c1 ZINC000482013262 1039952304 /nfs/dbraw/zinc/95/23/04/1039952304.db2.gz UZAMXWCNUULHKO-QGZVFWFLSA-N 2 2 334.467 4.114 20 0 EIADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2c(C)c1 ZINC000482013262 1039952329 /nfs/dbraw/zinc/95/23/29/1039952329.db2.gz UZAMXWCNUULHKO-QGZVFWFLSA-N 2 2 334.467 4.114 20 0 EIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000482134401 1040026998 /nfs/dbraw/zinc/02/69/98/1040026998.db2.gz GBEQYBCTVSHBIQ-DOTOQJQBSA-N 2 2 347.528 4.393 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246123 1040092748 /nfs/dbraw/zinc/09/27/48/1040092748.db2.gz KFLUUELSKIQRLP-QGQQZZQASA-N 2 2 349.522 4.075 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246123 1040092770 /nfs/dbraw/zinc/09/27/70/1040092770.db2.gz KFLUUELSKIQRLP-QGQQZZQASA-N 2 2 349.522 4.075 20 0 EIADLP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000514892796 1040316857 /nfs/dbraw/zinc/31/68/57/1040316857.db2.gz CGCXZLGACKPHLI-DLBZAZTESA-N 2 2 331.891 4.167 20 0 EIADLP CC1=CCC[C@@H](C)[C@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479459985 1040365965 /nfs/dbraw/zinc/36/59/65/1040365965.db2.gz YQVHPBQEYONQFF-XLIONFOSSA-N 2 2 342.531 4.016 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479459984 1040367865 /nfs/dbraw/zinc/36/78/65/1040367865.db2.gz YQVHPBQEYONQFF-PXNSSMCTSA-N 2 2 342.531 4.016 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cc1 ZINC000551542249 1040378795 /nfs/dbraw/zinc/37/87/95/1040378795.db2.gz DSJUCZNOMUKMGP-NSISKUIASA-N 2 2 330.516 4.041 20 0 EIADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000551528297 1040385163 /nfs/dbraw/zinc/38/51/63/1040385163.db2.gz LOIDUKWNVMYTMI-KNXBSLHKSA-N 2 2 347.462 4.163 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000482628137 1040393624 /nfs/dbraw/zinc/39/36/24/1040393624.db2.gz JEHKPWWDOZDQNJ-UHFFFAOYSA-N 2 2 336.907 4.235 20 0 EIADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000668104513 1040430347 /nfs/dbraw/zinc/43/03/47/1040430347.db2.gz IRFSOLYIYFGVAX-QGZVFWFLSA-N 2 2 348.494 4.389 20 0 EIADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc21 ZINC000668104513 1040430360 /nfs/dbraw/zinc/43/03/60/1040430360.db2.gz IRFSOLYIYFGVAX-QGZVFWFLSA-N 2 2 348.494 4.389 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(C)CC2)CCOCC1)c1ccccc1 ZINC000553823316 1040555681 /nfs/dbraw/zinc/55/56/81/1040555681.db2.gz PPDHKXNOTDHIQU-QPIRBTGLSA-N 2 2 330.516 4.055 20 0 EIADLP Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533008 1040561185 /nfs/dbraw/zinc/56/11/85/1040561185.db2.gz BVNLLYGPLGEMQQ-KRWDZBQOSA-N 2 2 338.480 4.221 20 0 EIADLP Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533008 1040561226 /nfs/dbraw/zinc/56/12/26/1040561226.db2.gz BVNLLYGPLGEMQQ-KRWDZBQOSA-N 2 2 338.480 4.221 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924728382 1040680417 /nfs/dbraw/zinc/68/04/17/1040680417.db2.gz FKIWJNJRJZVMQD-HOTGVXAUSA-N 2 2 332.879 4.013 20 0 EIADLP c1cn(CCC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000479865842 1040753128 /nfs/dbraw/zinc/75/31/28/1040753128.db2.gz ZOVIVBPRFARLFP-QFIPXVFZSA-N 2 2 333.479 4.107 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483209514 1040769153 /nfs/dbraw/zinc/76/91/53/1040769153.db2.gz BVGDNQKOEJWQNO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000483209514 1040769170 /nfs/dbraw/zinc/76/91/70/1040769170.db2.gz BVGDNQKOEJWQNO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CCCCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000539818838 1040811550 /nfs/dbraw/zinc/81/15/50/1040811550.db2.gz BGXVRPAHYFSAAE-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000539818838 1040811553 /nfs/dbraw/zinc/81/15/53/1040811553.db2.gz BGXVRPAHYFSAAE-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000539818838 1040811558 /nfs/dbraw/zinc/81/15/58/1040811558.db2.gz BGXVRPAHYFSAAE-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000539818838 1040811562 /nfs/dbraw/zinc/81/15/62/1040811562.db2.gz BGXVRPAHYFSAAE-MJGOQNOKSA-N 2 2 348.531 4.179 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817867 1040811920 /nfs/dbraw/zinc/81/19/20/1040811920.db2.gz UKJVMBMRDHIVBV-PKOBYXMFSA-N 2 2 330.516 4.313 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817867 1040811931 /nfs/dbraw/zinc/81/19/31/1040811931.db2.gz UKJVMBMRDHIVBV-PKOBYXMFSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817867 1040811933 /nfs/dbraw/zinc/81/19/33/1040811933.db2.gz UKJVMBMRDHIVBV-PKOBYXMFSA-N 2 2 330.516 4.313 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)C[C@@H]1C ZINC000539817867 1040811934 /nfs/dbraw/zinc/81/19/34/1040811934.db2.gz UKJVMBMRDHIVBV-PKOBYXMFSA-N 2 2 330.516 4.313 20 0 EIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669847155 1040844742 /nfs/dbraw/zinc/84/47/42/1040844742.db2.gz NSDKQJHXRHAQMA-KBXCAEBGSA-N 2 2 340.433 4.100 20 0 EIADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669847155 1040844744 /nfs/dbraw/zinc/84/47/44/1040844744.db2.gz NSDKQJHXRHAQMA-KBXCAEBGSA-N 2 2 340.433 4.100 20 0 EIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669847158 1040844921 /nfs/dbraw/zinc/84/49/21/1040844921.db2.gz NSDKQJHXRHAQMA-RDTXWAMCSA-N 2 2 340.433 4.100 20 0 EIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669847158 1040844928 /nfs/dbraw/zinc/84/49/28/1040844928.db2.gz NSDKQJHXRHAQMA-RDTXWAMCSA-N 2 2 340.433 4.100 20 0 EIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669847156 1040845013 /nfs/dbraw/zinc/84/50/13/1040845013.db2.gz NSDKQJHXRHAQMA-KDOFPFPSSA-N 2 2 340.433 4.100 20 0 EIADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669847156 1040845014 /nfs/dbraw/zinc/84/50/14/1040845014.db2.gz NSDKQJHXRHAQMA-KDOFPFPSSA-N 2 2 340.433 4.100 20 0 EIADLP CSC1(CNc2cc[nH+]c3c(Cl)cccc23)CC[NH+](C)CC1 ZINC000515566059 1040859909 /nfs/dbraw/zinc/85/99/09/1040859909.db2.gz WUGCUFQOWBUHCI-UHFFFAOYSA-N 2 2 335.904 4.128 20 0 EIADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000902926282 1040865472 /nfs/dbraw/zinc/86/54/72/1040865472.db2.gz KFQICOCOLKNGDI-ILZDJORESA-N 2 2 327.472 4.117 20 0 EIADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1ccc(Cl)cc1 ZINC000462757708 1040906684 /nfs/dbraw/zinc/90/66/84/1040906684.db2.gz RUOKDZJSNCZBAO-OAHLLOKOSA-N 2 2 341.842 4.083 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089330 1040927920 /nfs/dbraw/zinc/92/79/20/1040927920.db2.gz HFZBJLNIILNJHZ-ZFWWWQNUSA-N 2 2 328.472 4.179 20 0 EIADLP C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483742337 1040993468 /nfs/dbraw/zinc/99/34/68/1040993468.db2.gz FSELFUWIKCXSDA-JKSUJKDBSA-N 2 2 325.481 4.463 20 0 EIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Cc1cccs1 ZINC000483742334 1040994352 /nfs/dbraw/zinc/99/43/52/1040994352.db2.gz FSELFUWIKCXSDA-CVEARBPZSA-N 2 2 325.481 4.463 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc3ccccc3s2)c[nH+]1 ZINC000515710532 1040996146 /nfs/dbraw/zinc/99/61/46/1040996146.db2.gz QJWULNYBUIBHBE-UHFFFAOYSA-N 2 2 333.460 4.436 20 0 EIADLP CCOc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000540162607 1041223564 /nfs/dbraw/zinc/22/35/64/1041223564.db2.gz AVCPQWRDINUKSN-QGZVFWFLSA-N 2 2 335.451 4.164 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000480535919 1041370619 /nfs/dbraw/zinc/37/06/19/1041370619.db2.gz ANTAZRWJCAVFSG-FQEVSTJZSA-N 2 2 325.500 4.422 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000484623951 1041374171 /nfs/dbraw/zinc/37/41/71/1041374171.db2.gz VXNUDFSKSAJELP-CTNGQTDRSA-N 2 2 343.559 4.488 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000484623951 1041374177 /nfs/dbraw/zinc/37/41/77/1041374177.db2.gz VXNUDFSKSAJELP-CTNGQTDRSA-N 2 2 343.559 4.488 20 0 EIADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000480553335 1041382382 /nfs/dbraw/zinc/38/23/82/1041382382.db2.gz QDHFWFKKWYKBJG-LJQANCHMSA-N 2 2 333.479 4.442 20 0 EIADLP Fc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000463196957 1041412088 /nfs/dbraw/zinc/41/20/88/1041412088.db2.gz NTWOEKYRHOEVSY-HNNXBMFYSA-N 2 2 333.838 4.001 20 0 EIADLP Fc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000463196957 1041412092 /nfs/dbraw/zinc/41/20/92/1041412092.db2.gz NTWOEKYRHOEVSY-HNNXBMFYSA-N 2 2 333.838 4.001 20 0 EIADLP Fc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)cc1 ZINC000480722864 1041489162 /nfs/dbraw/zinc/48/91/62/1041489162.db2.gz KYCWXRYUQPNPBD-OAQYLSRUSA-N 2 2 335.426 4.402 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719495 1041489344 /nfs/dbraw/zinc/48/93/44/1041489344.db2.gz PFNMBUZFNAIXSR-CRAIPNDOSA-N 2 2 335.561 4.353 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719495 1041489351 /nfs/dbraw/zinc/48/93/51/1041489351.db2.gz PFNMBUZFNAIXSR-CRAIPNDOSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719495 1041489354 /nfs/dbraw/zinc/48/93/54/1041489354.db2.gz PFNMBUZFNAIXSR-CRAIPNDOSA-N 2 2 335.561 4.353 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)[C@H](C)C1 ZINC000538719495 1041489361 /nfs/dbraw/zinc/48/93/61/1041489361.db2.gz PFNMBUZFNAIXSR-CRAIPNDOSA-N 2 2 335.561 4.353 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000480748970 1041504626 /nfs/dbraw/zinc/50/46/26/1041504626.db2.gz YKYVHEXTVXILFG-MSOLQXFVSA-N 2 2 335.451 4.201 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000540593289 1041549195 /nfs/dbraw/zinc/54/91/95/1041549195.db2.gz CHPRKMFQDXGXQI-SFHVURJKSA-N 2 2 346.559 4.222 20 0 EIADLP CCc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000540757543 1041644340 /nfs/dbraw/zinc/64/43/40/1041644340.db2.gz XNBBWCBQJJRVPW-GOEBONIOSA-N 2 2 344.528 4.019 20 0 EIADLP Clc1ccc(OC2CCCC2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000464051129 1041836896 /nfs/dbraw/zinc/83/68/96/1041836896.db2.gz ZQQXUYIPALJMLM-UHFFFAOYSA-N 2 2 336.907 4.237 20 0 EIADLP COc1cccc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541204326 1041844832 /nfs/dbraw/zinc/84/48/32/1041844832.db2.gz VHTYXCBWSPFAKI-QGZVFWFLSA-N 2 2 327.472 4.145 20 0 EIADLP C[NH+]1CCC([N@H+](CCSCc2ccccc2)Cc2ccco2)CC1 ZINC000517057855 1041848966 /nfs/dbraw/zinc/84/89/66/1041848966.db2.gz WFSIUCPMGSXEFA-UHFFFAOYSA-N 2 2 344.524 4.109 20 0 EIADLP C[NH+]1CCC([N@@H+](CCSCc2ccccc2)Cc2ccco2)CC1 ZINC000517057855 1041848971 /nfs/dbraw/zinc/84/89/71/1041848971.db2.gz WFSIUCPMGSXEFA-UHFFFAOYSA-N 2 2 344.524 4.109 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000491587414 1042480432 /nfs/dbraw/zinc/48/04/32/1042480432.db2.gz XUBZSOZXBPCKRP-CYBMUJFWSA-N 2 2 342.396 4.208 20 0 EIADLP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1Cl ZINC001167963788 1042540485 /nfs/dbraw/zinc/54/04/85/1042540485.db2.gz DXHITMKPRXEDNG-MQVJKMGUSA-N 2 2 339.310 4.488 20 0 EIADLP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1Cl ZINC001167963788 1042540491 /nfs/dbraw/zinc/54/04/91/1042540491.db2.gz DXHITMKPRXEDNG-MQVJKMGUSA-N 2 2 339.310 4.488 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CSc1ccccc1)C(C)C)CCC2 ZINC000493033179 1042797253 /nfs/dbraw/zinc/79/72/53/1042797253.db2.gz CLOWIHZRWHECTH-MJGOQNOKSA-N 2 2 343.540 4.475 20 0 EIADLP C[N@H+](CCOc1ccccc1Cl)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465340 1042801424 /nfs/dbraw/zinc/80/14/24/1042801424.db2.gz HUEHGRBHYGJSOW-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP C[N@@H+](CCOc1ccccc1Cl)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465340 1042801426 /nfs/dbraw/zinc/80/14/26/1042801426.db2.gz HUEHGRBHYGJSOW-UHFFFAOYSA-N 2 2 347.871 4.098 20 0 EIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000427592371 1042879338 /nfs/dbraw/zinc/87/93/38/1042879338.db2.gz DRXMALDCGZWNHW-QFIPXVFZSA-N 2 2 333.479 4.288 20 0 EIADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367850 1042900517 /nfs/dbraw/zinc/90/05/17/1042900517.db2.gz WBMFYIWTMYBVTO-AEFFLSMTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000493367850 1042900521 /nfs/dbraw/zinc/90/05/21/1042900521.db2.gz WBMFYIWTMYBVTO-AEFFLSMTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000493367850 1042900526 /nfs/dbraw/zinc/90/05/26/1042900526.db2.gz WBMFYIWTMYBVTO-AEFFLSMTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000493367850 1042900536 /nfs/dbraw/zinc/90/05/36/1042900536.db2.gz WBMFYIWTMYBVTO-AEFFLSMTSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000170986838 1042910630 /nfs/dbraw/zinc/91/06/30/1042910630.db2.gz NLAVZDPWLUCMPR-ZDUSSCGKSA-N 2 2 330.394 4.109 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000493901004 1042980128 /nfs/dbraw/zinc/98/01/28/1042980128.db2.gz QJYMXHDVLDGUDI-MTFMMBMASA-N 2 2 342.527 4.053 20 0 EIADLP Fc1ccc(-c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)o2)cc1 ZINC000112675072 1043135342 /nfs/dbraw/zinc/13/53/42/1043135342.db2.gz NLBUHEXCIYOLPA-UHFFFAOYSA-N 2 2 339.414 4.463 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCCC1 ZINC000542477835 1043212187 /nfs/dbraw/zinc/21/21/87/1043212187.db2.gz KOTCXTRQRVGRGE-GOSISDBHSA-N 2 2 325.500 4.422 20 0 EIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000427870002 1043240962 /nfs/dbraw/zinc/24/09/62/1043240962.db2.gz UDINMGDJZGTFHT-FGZHOGPDSA-N 2 2 345.490 4.388 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(c1ccccc1)c1ccccc1 ZINC000427896456 1043242410 /nfs/dbraw/zinc/24/24/10/1043242410.db2.gz PKZRKCBMQOIDKC-FXAWDEMLSA-N 2 2 331.463 4.008 20 0 EIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427887922 1043251429 /nfs/dbraw/zinc/25/14/29/1043251429.db2.gz RNNGHELFVGHIIR-CXAGYDPISA-N 2 2 338.282 4.492 20 0 EIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427891970 1043253342 /nfs/dbraw/zinc/25/33/42/1043253342.db2.gz MFBJRFXQWQGDPU-QFBILLFUSA-N 2 2 347.462 4.224 20 0 EIADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000427895174 1043255787 /nfs/dbraw/zinc/25/57/87/1043255787.db2.gz SCEBPNHOORWUET-AZUAARDMSA-N 2 2 335.451 4.101 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)c1cccs1 ZINC000665258639 1043360732 /nfs/dbraw/zinc/36/07/32/1043360732.db2.gz HEETYWYOVKCAKE-DJIMGWMZSA-N 2 2 348.487 4.082 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2csc(C)c2)cc1F ZINC000665259383 1043392747 /nfs/dbraw/zinc/39/27/47/1043392747.db2.gz DJPGWKQECVWJJP-SKDZVZGDSA-N 2 2 348.487 4.001 20 0 EIADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428229723 1043393919 /nfs/dbraw/zinc/39/39/19/1043393919.db2.gz FUZIMCOEMCGPQW-SJLPKXTDSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428229723 1043393927 /nfs/dbraw/zinc/39/39/27/1043393927.db2.gz FUZIMCOEMCGPQW-SJLPKXTDSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000428229723 1043393938 /nfs/dbraw/zinc/39/39/38/1043393938.db2.gz FUZIMCOEMCGPQW-SJLPKXTDSA-N 2 2 333.520 4.022 20 0 EIADLP CCCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000428229723 1043393950 /nfs/dbraw/zinc/39/39/50/1043393950.db2.gz FUZIMCOEMCGPQW-SJLPKXTDSA-N 2 2 333.520 4.022 20 0 EIADLP COc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1OC(C)C ZINC000520934921 1043450737 /nfs/dbraw/zinc/45/07/37/1043450737.db2.gz UKLBPLMROLTJFR-UHFFFAOYSA-N 2 2 348.531 4.227 20 0 EIADLP COc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1OC(C)C ZINC000520934921 1043450744 /nfs/dbraw/zinc/45/07/44/1043450744.db2.gz UKLBPLMROLTJFR-UHFFFAOYSA-N 2 2 348.531 4.227 20 0 EIADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000520962870 1043463241 /nfs/dbraw/zinc/46/32/41/1043463241.db2.gz VJUSBRTTZUTIQF-UHFFFAOYSA-N 2 2 343.298 4.109 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007199 1043493462 /nfs/dbraw/zinc/49/34/62/1043493462.db2.gz IXHSJDLBORGDFW-LAUBAEHRSA-N 2 2 344.474 4.186 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000166007199 1043493469 /nfs/dbraw/zinc/49/34/69/1043493469.db2.gz IXHSJDLBORGDFW-LAUBAEHRSA-N 2 2 344.474 4.186 20 0 EIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CC(OC(C)(C)C)C2)c(C)c1 ZINC000494524654 1043552416 /nfs/dbraw/zinc/55/24/16/1043552416.db2.gz WUNVPWIUFSKDSL-QLOJAFMTSA-N 2 2 341.499 4.177 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665279997 1043658130 /nfs/dbraw/zinc/65/81/30/1043658130.db2.gz QWABRAQSPQKNGV-LKGZKJKYSA-N 2 2 332.900 4.027 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000543066451 1043724210 /nfs/dbraw/zinc/72/42/10/1043724210.db2.gz IIFBWJLEFWEQGF-NQIIRXRSSA-N 2 2 342.531 4.068 20 0 EIADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000665295211 1043845398 /nfs/dbraw/zinc/84/53/98/1043845398.db2.gz AIOBCZDCCHEOFU-SMDDNHRTSA-N 2 2 335.904 4.038 20 0 EIADLP C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442801031 1043845799 /nfs/dbraw/zinc/84/57/99/1043845799.db2.gz NXTBAURBGOGEIH-INIZCTEOSA-N 2 2 330.435 4.247 20 0 EIADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208726 1043884373 /nfs/dbraw/zinc/88/43/73/1043884373.db2.gz DMPNKQXYUXPJPH-FGSXEWAUSA-N 2 2 347.462 4.223 20 0 EIADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000732208726 1043884381 /nfs/dbraw/zinc/88/43/81/1043884381.db2.gz DMPNKQXYUXPJPH-FGSXEWAUSA-N 2 2 347.462 4.223 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000542494346 1043941955 /nfs/dbraw/zinc/94/19/55/1043941955.db2.gz LXLQVWGNTUTHEF-GHTZIAJQSA-N 2 2 326.484 4.327 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000542494346 1043941977 /nfs/dbraw/zinc/94/19/77/1043941977.db2.gz LXLQVWGNTUTHEF-GHTZIAJQSA-N 2 2 326.484 4.327 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363808 1043955513 /nfs/dbraw/zinc/95/55/13/1043955513.db2.gz PJDDNNJCJMCJIX-ABRVWIGJSA-N 2 2 341.543 4.241 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363808 1043955544 /nfs/dbraw/zinc/95/55/44/1043955544.db2.gz PJDDNNJCJMCJIX-ABRVWIGJSA-N 2 2 341.543 4.241 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059244 1044070981 /nfs/dbraw/zinc/07/09/81/1044070981.db2.gz FSNUAMKBRPVXOC-SIKLNZKXSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191059244 1044070994 /nfs/dbraw/zinc/07/09/94/1044070994.db2.gz FSNUAMKBRPVXOC-SIKLNZKXSA-N 2 2 341.543 4.013 20 0 EIADLP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320141609 1044095660 /nfs/dbraw/zinc/09/56/60/1044095660.db2.gz IEYOCCUOSCKMDJ-OAHLLOKOSA-N 2 2 325.843 4.247 20 0 EIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000443222186 1044109246 /nfs/dbraw/zinc/10/92/46/1044109246.db2.gz MLGOGRMVKSQVIS-XPGWFJOJSA-N 2 2 346.490 4.282 20 0 EIADLP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000522107118 1044242550 /nfs/dbraw/zinc/24/25/50/1044242550.db2.gz LGIAJDIUSOLSOS-CYBMUJFWSA-N 2 2 348.288 4.140 20 0 EIADLP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000522107118 1044242570 /nfs/dbraw/zinc/24/25/70/1044242570.db2.gz LGIAJDIUSOLSOS-CYBMUJFWSA-N 2 2 348.288 4.140 20 0 EIADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000474043560 1044267494 /nfs/dbraw/zinc/26/74/94/1044267494.db2.gz ZMAVHUXXYKTZLP-OAQYLSRUSA-N 2 2 347.462 4.393 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319509 1044305808 /nfs/dbraw/zinc/30/58/08/1044305808.db2.gz DJQVHCABDBLOTM-WMZOPIPTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1nccs1 ZINC000658319509 1044305824 /nfs/dbraw/zinc/30/58/24/1044305824.db2.gz DJQVHCABDBLOTM-WMZOPIPTSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319740 1044306499 /nfs/dbraw/zinc/30/64/99/1044306499.db2.gz HPZXZWLMOSJRDP-SJLPKXTDSA-N 2 2 341.524 4.096 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000658319740 1044306510 /nfs/dbraw/zinc/30/65/10/1044306510.db2.gz HPZXZWLMOSJRDP-SJLPKXTDSA-N 2 2 341.524 4.096 20 0 EIADLP CC[C@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739481 1044456575 /nfs/dbraw/zinc/45/65/75/1044456575.db2.gz KIVWOQWTHSQSFK-GOSISDBHSA-N 2 2 325.481 4.104 20 0 EIADLP C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000675726826 1044460333 /nfs/dbraw/zinc/46/03/33/1044460333.db2.gz DDTOUMZARISAAI-UGSOOPFHSA-N 2 2 339.826 4.310 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(OC)c1 ZINC000675919892 1044560623 /nfs/dbraw/zinc/56/06/23/1044560623.db2.gz JKKWRZJRFQKKBP-RTWAWAEBSA-N 2 2 349.478 4.453 20 0 EIADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919852 1044561373 /nfs/dbraw/zinc/56/13/73/1044561373.db2.gz JFZLLWWUJVRVAA-RXVVDRJESA-N 2 2 333.479 4.233 20 0 EIADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923542 1044562272 /nfs/dbraw/zinc/56/22/72/1044562272.db2.gz SRROLOHWWASWTQ-LEWJYISDSA-N 2 2 333.479 4.315 20 0 EIADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924333 1044566299 /nfs/dbraw/zinc/56/62/99/1044566299.db2.gz XOVXHTGTIHLTAD-FXAWDEMLSA-N 2 2 349.478 4.372 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)[nH]1 ZINC000495001091 1044579642 /nfs/dbraw/zinc/57/96/42/1044579642.db2.gz WIPOWFUSJZEFBP-GOSISDBHSA-N 2 2 335.451 4.211 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)[nH]1 ZINC000495001091 1044579661 /nfs/dbraw/zinc/57/96/61/1044579661.db2.gz WIPOWFUSJZEFBP-GOSISDBHSA-N 2 2 335.451 4.211 20 0 EIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657821746 1044687115 /nfs/dbraw/zinc/68/71/15/1044687115.db2.gz RNHBNOVSCSDSSP-MSOLQXFVSA-N 2 2 335.451 4.374 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490927 1044758662 /nfs/dbraw/zinc/75/86/62/1044758662.db2.gz VCWTWJDWWZMNQE-CZUORRHYSA-N 2 2 349.569 4.384 20 0 EIADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)s1 ZINC000676490927 1044758680 /nfs/dbraw/zinc/75/86/80/1044758680.db2.gz VCWTWJDWWZMNQE-CZUORRHYSA-N 2 2 349.569 4.384 20 0 EIADLP C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428870246 1044783199 /nfs/dbraw/zinc/78/31/99/1044783199.db2.gz GNWRRVHCIHITBT-UONOGXRCSA-N 2 2 347.503 4.178 20 0 EIADLP C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428870246 1044783218 /nfs/dbraw/zinc/78/32/18/1044783218.db2.gz GNWRRVHCIHITBT-UONOGXRCSA-N 2 2 347.503 4.178 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000676644495 1044812941 /nfs/dbraw/zinc/81/29/41/1044812941.db2.gz VUKHXICGCBBJJR-RRFGBZISSA-N 2 2 335.426 4.146 20 0 EIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000673600664 1044860124 /nfs/dbraw/zinc/86/01/24/1044860124.db2.gz GAFMGZSUFQACPA-PTNGSMBKSA-N 2 2 337.389 4.375 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474458126 1044999899 /nfs/dbraw/zinc/99/98/99/1044999899.db2.gz HYNCSRSNZQKRAR-CQSZACIVSA-N 2 2 338.948 4.414 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474458126 1044999910 /nfs/dbraw/zinc/99/99/10/1044999910.db2.gz HYNCSRSNZQKRAR-CQSZACIVSA-N 2 2 338.948 4.414 20 0 EIADLP COCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(C)o1 ZINC000495415506 1045068878 /nfs/dbraw/zinc/06/88/78/1045068878.db2.gz QSBKIPJVZAWWLV-FFZOFVMBSA-N 2 2 348.531 4.298 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487275738 1045223014 /nfs/dbraw/zinc/22/30/14/1045223014.db2.gz PWZHCAKAAXRYKX-HNNXBMFYSA-N 2 2 341.524 4.336 20 0 EIADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000766259413 1045250815 /nfs/dbraw/zinc/25/08/15/1045250815.db2.gz YLSAAUYOGXAUSR-CQDKDKBSSA-N 2 2 343.298 4.137 20 0 EIADLP CC1CC[NH+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000236846231 1045367795 /nfs/dbraw/zinc/36/77/95/1045367795.db2.gz XAMLDRSOWMLANA-UHFFFAOYSA-N 2 2 329.513 4.022 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)Cn1cc[nH+]c1 ZINC000237409998 1045384247 /nfs/dbraw/zinc/38/42/47/1045384247.db2.gz JJFFSTKNWSLICL-AWEZNQCLSA-N 2 2 329.444 4.177 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000246466394 1045811339 /nfs/dbraw/zinc/81/13/39/1045811339.db2.gz QFNZQKWVWZUSKT-DRSNIGMVSA-N 2 2 335.495 4.130 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603603 1045827501 /nfs/dbraw/zinc/82/75/01/1045827501.db2.gz GHABZJHSJTUFDJ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603603 1045827503 /nfs/dbraw/zinc/82/75/03/1045827503.db2.gz GHABZJHSJTUFDJ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603603 1045827504 /nfs/dbraw/zinc/82/75/04/1045827504.db2.gz GHABZJHSJTUFDJ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000246603603 1045827506 /nfs/dbraw/zinc/82/75/06/1045827506.db2.gz GHABZJHSJTUFDJ-KXBFYZLASA-N 2 2 343.540 4.245 20 0 EIADLP CC(C)c1ccc(C2(O)CCC([NH2+]CC[N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000769019172 1045869877 /nfs/dbraw/zinc/86/98/77/1045869877.db2.gz BVBVYDBAPBAGMA-XTWGIRIWSA-N 2 2 344.543 4.014 20 0 EIADLP CC(C)c1ccc(C2(O)CCC([NH2+]CC[N@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000769019172 1045869882 /nfs/dbraw/zinc/86/98/82/1045869882.db2.gz BVBVYDBAPBAGMA-XTWGIRIWSA-N 2 2 344.543 4.014 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482488 1045971262 /nfs/dbraw/zinc/97/12/62/1045971262.db2.gz DROHIZMEDYIAKA-ZDUSSCGKSA-N 2 2 332.460 4.042 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482488 1045971293 /nfs/dbraw/zinc/97/12/93/1045971293.db2.gz DROHIZMEDYIAKA-ZDUSSCGKSA-N 2 2 332.460 4.042 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482488 1045971307 /nfs/dbraw/zinc/97/13/07/1045971307.db2.gz DROHIZMEDYIAKA-ZDUSSCGKSA-N 2 2 332.460 4.042 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482488 1045971271 /nfs/dbraw/zinc/97/12/71/1045971271.db2.gz DROHIZMEDYIAKA-ZDUSSCGKSA-N 2 2 332.460 4.042 20 0 EIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482486 1045972363 /nfs/dbraw/zinc/97/23/63/1045972363.db2.gz DROHIZMEDYIAKA-CYBMUJFWSA-N 2 2 332.460 4.042 20 0 EIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482486 1045972350 /nfs/dbraw/zinc/97/23/50/1045972350.db2.gz DROHIZMEDYIAKA-CYBMUJFWSA-N 2 2 332.460 4.042 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482486 1045972380 /nfs/dbraw/zinc/97/23/80/1045972380.db2.gz DROHIZMEDYIAKA-CYBMUJFWSA-N 2 2 332.460 4.042 20 0 EIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CSC(F)F)o1 ZINC000769482486 1045972393 /nfs/dbraw/zinc/97/23/93/1045972393.db2.gz DROHIZMEDYIAKA-CYBMUJFWSA-N 2 2 332.460 4.042 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328249743 1045997969 /nfs/dbraw/zinc/99/79/69/1045997969.db2.gz SIMUUAXZGXHLMQ-CRAIPNDOSA-N 2 2 344.886 4.046 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328249743 1045997989 /nfs/dbraw/zinc/99/79/89/1045997989.db2.gz SIMUUAXZGXHLMQ-CRAIPNDOSA-N 2 2 344.886 4.046 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000161595227 1046018227 /nfs/dbraw/zinc/01/82/27/1046018227.db2.gz OSGVTGWKOAKGAM-CYBMUJFWSA-N 2 2 330.394 4.110 20 0 EIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000916835276 1046376750 /nfs/dbraw/zinc/37/67/50/1046376750.db2.gz XIENKNOZOVWZCE-OKILXGFUSA-N 2 2 346.487 4.193 20 0 EIADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000916835276 1046376770 /nfs/dbraw/zinc/37/67/70/1046376770.db2.gz XIENKNOZOVWZCE-OKILXGFUSA-N 2 2 346.487 4.193 20 0 EIADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000428658762 1046479520 /nfs/dbraw/zinc/47/95/20/1046479520.db2.gz AYAXNSUBFIRMHU-UHFFFAOYSA-N 2 2 326.419 4.049 20 0 EIADLP C[NH+]1C(C)(C)CC(Nc2ccc(F)c(-n3cc[nH+]c3)c2)CC1(C)C ZINC001170453811 1046552701 /nfs/dbraw/zinc/55/27/01/1046552701.db2.gz LENRXPKACKMUGK-UHFFFAOYSA-N 2 2 330.451 4.075 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658959 1046622472 /nfs/dbraw/zinc/62/24/72/1046622472.db2.gz WYTMBNIQZPCRSL-DOMZBBRYSA-N 2 2 346.849 4.104 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658959 1046622481 /nfs/dbraw/zinc/62/24/81/1046622481.db2.gz WYTMBNIQZPCRSL-DOMZBBRYSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658959 1046622503 /nfs/dbraw/zinc/62/25/03/1046622503.db2.gz WYTMBNIQZPCRSL-DOMZBBRYSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658959 1046622510 /nfs/dbraw/zinc/62/25/10/1046622510.db2.gz WYTMBNIQZPCRSL-DOMZBBRYSA-N 2 2 346.849 4.104 20 0 EIADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660454 1046624108 /nfs/dbraw/zinc/62/41/08/1046624108.db2.gz JLHURVKJVFWVNR-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660454 1046624114 /nfs/dbraw/zinc/62/41/14/1046624114.db2.gz JLHURVKJVFWVNR-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660454 1046624126 /nfs/dbraw/zinc/62/41/26/1046624126.db2.gz JLHURVKJVFWVNR-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCCC(C)C ZINC000536660454 1046624140 /nfs/dbraw/zinc/62/41/40/1046624140.db2.gz JLHURVKJVFWVNR-PKOBYXMFSA-N 2 2 348.531 4.035 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662081 1046631034 /nfs/dbraw/zinc/63/10/34/1046631034.db2.gz NSCXMZUIAFZNCO-NVXWUHKLSA-N 2 2 340.458 4.209 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662081 1046631055 /nfs/dbraw/zinc/63/10/55/1046631055.db2.gz NSCXMZUIAFZNCO-NVXWUHKLSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662081 1046631075 /nfs/dbraw/zinc/63/10/75/1046631075.db2.gz NSCXMZUIAFZNCO-NVXWUHKLSA-N 2 2 340.458 4.209 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(C)cc2OC(F)F)C[C@H]1C ZINC000536662081 1046631086 /nfs/dbraw/zinc/63/10/86/1046631086.db2.gz NSCXMZUIAFZNCO-NVXWUHKLSA-N 2 2 340.458 4.209 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nc2c(s1)CCC2 ZINC000459647042 1046833914 /nfs/dbraw/zinc/83/39/14/1046833914.db2.gz JRVUVNVCSYKTFH-BFYDXBDKSA-N 2 2 347.572 4.326 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCCC(C)C)CC2)cc1 ZINC001170060726 1046854187 /nfs/dbraw/zinc/85/41/87/1046854187.db2.gz CUDLXYZHJQKBKW-GOSISDBHSA-N 2 2 332.532 4.464 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000787165192 1046925627 /nfs/dbraw/zinc/92/56/27/1046925627.db2.gz QCGICGZEDVZHTM-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000787165192 1046925644 /nfs/dbraw/zinc/92/56/44/1046925644.db2.gz QCGICGZEDVZHTM-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000787165192 1046925613 /nfs/dbraw/zinc/92/56/13/1046925613.db2.gz QCGICGZEDVZHTM-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP Cc1nc(F)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000787165192 1046925635 /nfs/dbraw/zinc/92/56/35/1046925635.db2.gz QCGICGZEDVZHTM-UZLBHIALSA-N 2 2 341.474 4.014 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254956 1046957071 /nfs/dbraw/zinc/95/70/71/1046957071.db2.gz OKRBWPWBHXOVQK-AAEUAGOBSA-N 2 2 349.828 4.058 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254956 1046957056 /nfs/dbraw/zinc/95/70/56/1046957056.db2.gz OKRBWPWBHXOVQK-AAEUAGOBSA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254956 1046957089 /nfs/dbraw/zinc/95/70/89/1046957089.db2.gz OKRBWPWBHXOVQK-AAEUAGOBSA-N 2 2 349.828 4.058 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)nc2C(F)(F)F)C[C@@H]1C ZINC000787254956 1046957108 /nfs/dbraw/zinc/95/71/08/1046957108.db2.gz OKRBWPWBHXOVQK-AAEUAGOBSA-N 2 2 349.828 4.058 20 0 EIADLP CC(C)CCC[C@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170079668 1047067816 /nfs/dbraw/zinc/06/78/16/1047067816.db2.gz GBVNQYQVJMMVPR-OALUTQOASA-N 2 2 345.531 4.014 20 0 EIADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000537297172 1047077233 /nfs/dbraw/zinc/07/72/33/1047077233.db2.gz OWUPBEDYEURLNM-WOJBJXKFSA-N 2 2 341.499 4.005 20 0 EIADLP CCC(CC)(C[NH2+][C@H](C)c1cc[nH]c(=O)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000788602993 1047244017 /nfs/dbraw/zinc/24/40/17/1047244017.db2.gz QCKZDPTVTVDCBY-SJORKVTESA-N 2 2 341.499 4.347 20 0 EIADLP Clc1ccc2c(n1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000788607761 1047246459 /nfs/dbraw/zinc/24/64/59/1047246459.db2.gz CPDFMNGXQRXYPU-QGZVFWFLSA-N 2 2 333.907 4.109 20 0 EIADLP c1cn(CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000129560749 1047430406 /nfs/dbraw/zinc/43/04/06/1047430406.db2.gz VMHQTVDPTBRJSJ-GOSISDBHSA-N 2 2 325.456 4.090 20 0 EIADLP CN(c1ccc([NH2+]C[C@H]2CCc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC000790050287 1047510907 /nfs/dbraw/zinc/51/09/07/1047510907.db2.gz XQGCBACCXFQITF-LJQANCHMSA-N 2 2 349.522 4.359 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)c[nH+]1 ZINC000556189831 1047548202 /nfs/dbraw/zinc/54/82/02/1047548202.db2.gz LSQOMCYYPLQATR-UHFFFAOYSA-N 2 2 343.430 4.481 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000130205052 1047651127 /nfs/dbraw/zinc/65/11/27/1047651127.db2.gz VBBVXXFOJBCGQL-QJPTWQEYSA-N 2 2 331.262 4.410 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000130205052 1047651131 /nfs/dbraw/zinc/65/11/31/1047651131.db2.gz VBBVXXFOJBCGQL-QJPTWQEYSA-N 2 2 331.262 4.410 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000045106264 1047679736 /nfs/dbraw/zinc/67/97/36/1047679736.db2.gz GTDISOUPWNDZQA-NSHDSACASA-N 2 2 330.234 4.460 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000130454345 1047710589 /nfs/dbraw/zinc/71/05/89/1047710589.db2.gz ZDNLAJMFMULPFZ-FCHUYYIVSA-N 2 2 331.463 4.357 20 0 EIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000130453713 1047711189 /nfs/dbraw/zinc/71/11/89/1047711189.db2.gz ZDNLAJMFMULPFZ-YADHBBJMSA-N 2 2 331.463 4.357 20 0 EIADLP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000556585885 1047832721 /nfs/dbraw/zinc/83/27/21/1047832721.db2.gz DUXZGGGQDMHCGW-IAGOWNOFSA-N 2 2 337.389 4.218 20 0 EIADLP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000556585887 1047832896 /nfs/dbraw/zinc/83/28/96/1047832896.db2.gz DUXZGGGQDMHCGW-SJORKVTESA-N 2 2 337.389 4.218 20 0 EIADLP Clc1cc(Cl)c(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246339518 1047899155 /nfs/dbraw/zinc/89/91/55/1047899155.db2.gz ABMKNUNXULARGO-GFCCVEGCSA-N 2 2 333.690 4.411 20 0 EIADLP Cc1ccc2c(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC001136975243 1048006147 /nfs/dbraw/zinc/00/61/47/1048006147.db2.gz BTAANORTCAAEFP-UHFFFAOYSA-N 2 2 330.435 4.294 20 0 EIADLP Cc1ccc2c(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)c[nH]c2c1 ZINC001136975243 1048006160 /nfs/dbraw/zinc/00/61/60/1048006160.db2.gz BTAANORTCAAEFP-UHFFFAOYSA-N 2 2 330.435 4.294 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000499071659 1048163881 /nfs/dbraw/zinc/16/38/81/1048163881.db2.gz VPTNOCDNSBUQME-QGZVFWFLSA-N 2 2 335.451 4.252 20 0 EIADLP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000499071659 1048163886 /nfs/dbraw/zinc/16/38/86/1048163886.db2.gz VPTNOCDNSBUQME-QGZVFWFLSA-N 2 2 335.451 4.252 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000132250519 1048237018 /nfs/dbraw/zinc/23/70/18/1048237018.db2.gz LJTLYWXPQNEOHU-OAQYLSRUSA-N 2 2 331.463 4.059 20 0 EIADLP CC[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143992959 1048352305 /nfs/dbraw/zinc/35/23/05/1048352305.db2.gz XCFUFVAIOLSXCE-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP CC[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143992959 1048352316 /nfs/dbraw/zinc/35/23/16/1048352316.db2.gz XCFUFVAIOLSXCE-UHFFFAOYSA-N 2 2 334.813 4.275 20 0 EIADLP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579647 1048409247 /nfs/dbraw/zinc/40/92/47/1048409247.db2.gz DRCLSRSRNGKSPM-OXQOHEQNSA-N 2 2 343.540 4.486 20 0 EIADLP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000809579647 1048409254 /nfs/dbraw/zinc/40/92/54/1048409254.db2.gz DRCLSRSRNGKSPM-OXQOHEQNSA-N 2 2 343.540 4.486 20 0 EIADLP CC[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@H]1c1ccccc1 ZINC000809591996 1048427142 /nfs/dbraw/zinc/42/71/42/1048427142.db2.gz KTUHHRIDAZPCDP-VQIMIIECSA-N 2 2 343.540 4.220 20 0 EIADLP CC[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@H]1c1ccccc1 ZINC000809591996 1048427154 /nfs/dbraw/zinc/42/71/54/1048427154.db2.gz KTUHHRIDAZPCDP-VQIMIIECSA-N 2 2 343.540 4.220 20 0 EIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000815597664 1048532722 /nfs/dbraw/zinc/53/27/22/1048532722.db2.gz BHRXEEHYAHOFAK-IAGOWNOFSA-N 2 2 341.474 4.405 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1SC(C)(C)C ZINC000815618117 1048545002 /nfs/dbraw/zinc/54/50/02/1048545002.db2.gz FLTYPUXUTXMKPY-CABCVRRESA-N 2 2 329.513 4.439 20 0 EIADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000846024789 1048790343 /nfs/dbraw/zinc/79/03/43/1048790343.db2.gz CKSSWADKPYNUDQ-XZOQPEGZSA-N 2 2 349.522 4.176 20 0 EIADLP c1cn(Cc2cccc(-c3ccccc3C[C@@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000846779183 1048894940 /nfs/dbraw/zinc/89/49/40/1048894940.db2.gz KSHBGVCEKKPAAT-NRFANRHFSA-N 2 2 331.463 4.283 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccncc1Cl ZINC000817573688 1049007233 /nfs/dbraw/zinc/00/72/33/1049007233.db2.gz HGKDGIYDLRDDCZ-OAHLLOKOSA-N 2 2 335.923 4.430 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482644 1049008593 /nfs/dbraw/zinc/00/85/93/1049008593.db2.gz RIAMEXJHCCMSBR-HZPDHXFCSA-N 2 2 333.435 4.047 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc2c(s1)CCC2 ZINC000135054839 1049061163 /nfs/dbraw/zinc/06/11/63/1049061163.db2.gz KTZVEGRSIIHCAG-CQSZACIVSA-N 2 2 333.545 4.080 20 0 EIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000811455356 1049070877 /nfs/dbraw/zinc/07/08/77/1049070877.db2.gz CMKVJCOMRHKTAS-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000811455356 1049070889 /nfs/dbraw/zinc/07/08/89/1049070889.db2.gz CMKVJCOMRHKTAS-UHFFFAOYSA-N 2 2 344.330 4.332 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1F ZINC000378891559 1049421799 /nfs/dbraw/zinc/42/17/99/1049421799.db2.gz QYUDTJYRNRGRBP-INIZCTEOSA-N 2 2 344.449 4.323 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948041 1049514477 /nfs/dbraw/zinc/51/44/77/1049514477.db2.gz ZWBPCKOXDXKJEE-IRXDYDNUSA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948041 1049514494 /nfs/dbraw/zinc/51/44/94/1049514494.db2.gz ZWBPCKOXDXKJEE-IRXDYDNUSA-N 2 2 342.870 4.054 20 0 EIADLP CCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCCC1 ZINC000812838732 1049603743 /nfs/dbraw/zinc/60/37/43/1049603743.db2.gz VDUUXMATLYFJNN-UHFFFAOYSA-N 2 2 329.532 4.281 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852295 1049613003 /nfs/dbraw/zinc/61/30/03/1049613003.db2.gz XLARUQYHKPANEN-PGRDOPGGSA-N 2 2 349.478 4.125 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852295 1049613008 /nfs/dbraw/zinc/61/30/08/1049613008.db2.gz XLARUQYHKPANEN-PGRDOPGGSA-N 2 2 349.478 4.125 20 0 EIADLP Cc1ccc(CC[C@H](C)N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)cc1 ZINC001171681849 1049777571 /nfs/dbraw/zinc/77/75/71/1049777571.db2.gz NNMUIXLSMPYJOM-KRWDZBQOSA-N 2 2 341.474 4.109 20 0 EIADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171773417 1049795128 /nfs/dbraw/zinc/79/51/28/1049795128.db2.gz KXEUMZWBVGQTTE-UEVCKROQSA-N 2 2 346.449 4.324 20 0 EIADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccccc1 ZINC001171783142 1049803995 /nfs/dbraw/zinc/80/39/95/1049803995.db2.gz KXEUMZWBVGQTTE-WTIAFYNJSA-N 2 2 346.449 4.324 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171964473 1049826844 /nfs/dbraw/zinc/82/68/44/1049826844.db2.gz LKKLGSKVNJQMFK-LJQANCHMSA-N 2 2 326.459 4.359 20 0 EIADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC001171964473 1049826847 /nfs/dbraw/zinc/82/68/47/1049826847.db2.gz LKKLGSKVNJQMFK-LJQANCHMSA-N 2 2 326.459 4.359 20 0 EIADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171010078 1049828878 /nfs/dbraw/zinc/82/88/78/1049828878.db2.gz KOKSVYVXQGWFKN-LJQANCHMSA-N 2 2 330.491 4.022 20 0 EIADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171010078 1049828880 /nfs/dbraw/zinc/82/88/80/1049828880.db2.gz KOKSVYVXQGWFKN-LJQANCHMSA-N 2 2 330.491 4.022 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccncc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001171975594 1049837170 /nfs/dbraw/zinc/83/71/70/1049837170.db2.gz MKUVERSEJWYHBE-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccncc2Cl)CC[N@H+]1Cc1ccccc1 ZINC001171975594 1049837172 /nfs/dbraw/zinc/83/71/72/1049837172.db2.gz MKUVERSEJWYHBE-SFHVURJKSA-N 2 2 343.902 4.268 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841196 /nfs/dbraw/zinc/84/11/96/1049841196.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841200 /nfs/dbraw/zinc/84/12/00/1049841200.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841204 /nfs/dbraw/zinc/84/12/04/1049841204.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841206 /nfs/dbraw/zinc/84/12/06/1049841206.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 3 2 345.575 4.093 20 0 EIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172359537 1049895233 /nfs/dbraw/zinc/89/52/33/1049895233.db2.gz KCLAXRZSLYCSBC-ABSDTBQOSA-N 2 2 330.516 4.074 20 0 EIADLP CCCCCC[C@@H](CCC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172388444 1049904332 /nfs/dbraw/zinc/90/43/32/1049904332.db2.gz YTNLNKJUZXKQOM-HXUWFJFHSA-N 2 2 346.563 4.434 20 0 EIADLP CCCCCC[C@@H](CCC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172388444 1049904343 /nfs/dbraw/zinc/90/43/43/1049904343.db2.gz YTNLNKJUZXKQOM-HXUWFJFHSA-N 2 2 346.563 4.434 20 0 EIADLP CC(C)OCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172443246 1049913379 /nfs/dbraw/zinc/91/33/79/1049913379.db2.gz YNEMAHXLGFRMEG-JRGCBEDISA-N 2 2 326.484 4.221 20 0 EIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172556824 1049932540 /nfs/dbraw/zinc/93/25/40/1049932540.db2.gz NPRRAUXEPYWSON-NCYKPQTJSA-N 2 2 335.495 4.494 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566242 1049935988 /nfs/dbraw/zinc/93/59/88/1049935988.db2.gz UVHAFHWYQIFJMM-JSGCOSHPSA-N 2 2 330.850 4.013 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566242 1049935992 /nfs/dbraw/zinc/93/59/92/1049935992.db2.gz UVHAFHWYQIFJMM-JSGCOSHPSA-N 2 2 330.850 4.013 20 0 EIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567367 1049936830 /nfs/dbraw/zinc/93/68/30/1049936830.db2.gz JRMHMLILBNVIBO-TZMCWYRMSA-N 2 2 330.850 4.012 20 0 EIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)C1 ZINC001172567367 1049936835 /nfs/dbraw/zinc/93/68/35/1049936835.db2.gz JRMHMLILBNVIBO-TZMCWYRMSA-N 2 2 330.850 4.012 20 0 EIADLP CC[N@H+]([C@@H](C)CCc1c(F)cc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001172575412 1049941774 /nfs/dbraw/zinc/94/17/74/1049941774.db2.gz WWNYHECNWPGTJC-ZDUSSCGKSA-N 2 2 344.877 4.355 20 0 EIADLP CC[N@@H+]([C@@H](C)CCc1c(F)cc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001172575412 1049941777 /nfs/dbraw/zinc/94/17/77/1049941777.db2.gz WWNYHECNWPGTJC-ZDUSSCGKSA-N 2 2 344.877 4.355 20 0 EIADLP Cc1[nH+]cn([C@H]2CCC[C@@H](c3ccccc3)C2)c1CSCC[NH3+] ZINC001172542847 1049945762 /nfs/dbraw/zinc/94/57/62/1049945762.db2.gz KGTHTRWFGDGAGP-MSOLQXFVSA-N 2 2 329.513 4.282 20 0 EIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172841474 1050180195 /nfs/dbraw/zinc/18/01/95/1050180195.db2.gz KVJRPUAPGZRLDO-AWEZNQCLSA-N 2 2 347.865 4.064 20 0 EIADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001177441796 1050220807 /nfs/dbraw/zinc/22/08/07/1050220807.db2.gz IFHDVALLJUBZOC-BDTNDASRSA-N 2 2 344.543 4.397 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C(C)C)cc1 ZINC000091283954 1050246907 /nfs/dbraw/zinc/24/69/07/1050246907.db2.gz OIVJREKZJQMKIN-QFIPXVFZSA-N 2 2 349.478 4.427 20 0 EIADLP COc1ccc([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C(C)C)cc1 ZINC000091284336 1050248577 /nfs/dbraw/zinc/24/85/77/1050248577.db2.gz PAFPKSHDSAZDRA-JOCHJYFZSA-N 2 2 349.478 4.427 20 0 EIADLP FC(F)(F)c1sccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177565736 1050253885 /nfs/dbraw/zinc/25/38/85/1050253885.db2.gz GTFALTKQAMUIKE-UHFFFAOYSA-N 2 2 337.370 4.242 20 0 EIADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc3ncccc23)[NH+]2CCCC2)cc1 ZINC001177566138 1050256197 /nfs/dbraw/zinc/25/61/97/1050256197.db2.gz OKXHPNUEQSRLNZ-HSZRJFAPSA-N 2 2 345.490 4.470 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC001177913057 1050327629 /nfs/dbraw/zinc/32/76/29/1050327629.db2.gz UQQBJABXMLABEQ-SCLBCKFNSA-N 2 2 336.451 4.199 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC001177913057 1050327631 /nfs/dbraw/zinc/32/76/31/1050327631.db2.gz UQQBJABXMLABEQ-SCLBCKFNSA-N 2 2 336.451 4.199 20 0 EIADLP Cc1[nH+]cn([C@H](C)CC(c2ccccc2)c2ccccc2)c1CC[NH3+] ZINC001173206856 1050364921 /nfs/dbraw/zinc/36/49/21/1050364921.db2.gz XTCGDUBVSPEULG-QGZVFWFLSA-N 2 2 333.479 4.476 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2ncccc12)C1CC1 ZINC001178537725 1050495693 /nfs/dbraw/zinc/49/56/93/1050495693.db2.gz SVKSIZBGOLHSAQ-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2ncccc12)C1CC1 ZINC001178537725 1050495697 /nfs/dbraw/zinc/49/56/97/1050495697.db2.gz SVKSIZBGOLHSAQ-QHCPKHFHSA-N 2 2 345.490 4.235 20 0 EIADLP COc1cccc(CC[NH+]2CCCC2)c1Nc1cc(C)c[nH+]c1C ZINC001203663924 1050567234 /nfs/dbraw/zinc/56/72/34/1050567234.db2.gz ZLIIIPKZVMVLMB-UHFFFAOYSA-N 2 2 325.456 4.089 20 0 EIADLP Fc1cccc2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)cnc12 ZINC001179437291 1050691599 /nfs/dbraw/zinc/69/15/99/1050691599.db2.gz DGDONLNSLZOJNZ-FQEVSTJZSA-N 2 2 346.409 4.102 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC001179816799 1050784980 /nfs/dbraw/zinc/78/49/80/1050784980.db2.gz NUSAOKGVRUBSOP-ACRUOGEOSA-N 2 2 326.528 4.455 20 0 EIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001179816799 1050784989 /nfs/dbraw/zinc/78/49/89/1050784989.db2.gz NUSAOKGVRUBSOP-ACRUOGEOSA-N 2 2 326.528 4.455 20 0 EIADLP Brc1ccc2c(Nc3ccc4[nH+]ccn4c3)cc[nH+]c2c1 ZINC001174278906 1050879575 /nfs/dbraw/zinc/87/95/75/1050879575.db2.gz RRDFMWIRHNUBCM-UHFFFAOYSA-N 2 2 339.196 4.389 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000619761483 1050888908 /nfs/dbraw/zinc/88/89/08/1050888908.db2.gz PCHJEXPLIHYUMY-CYBMUJFWSA-N 2 2 349.356 4.340 20 0 EIADLP C[NH+](C)C1(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001180950430 1051119636 /nfs/dbraw/zinc/11/96/36/1051119636.db2.gz BCTSWCWCXFNAHO-UHFFFAOYSA-N 2 2 336.523 4.162 20 0 EIADLP C([C@@H]1CCC2(CCCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190364460 1051152964 /nfs/dbraw/zinc/15/29/64/1051152964.db2.gz AQQIHZBHBLDVTN-FQEVSTJZSA-N 2 2 334.548 4.209 20 0 EIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC001181115854 1051158474 /nfs/dbraw/zinc/15/84/74/1051158474.db2.gz ZISGUTRPKXSWMB-XUVXKRRUSA-N 2 2 346.584 4.407 20 0 EIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C1CC1 ZINC001181115854 1051158484 /nfs/dbraw/zinc/15/84/84/1051158484.db2.gz ZISGUTRPKXSWMB-XUVXKRRUSA-N 2 2 346.584 4.407 20 0 EIADLP COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190426669 1051181200 /nfs/dbraw/zinc/18/12/00/1051181200.db2.gz JGLQLUUKYSWTTF-NRFANRHFSA-N 2 2 347.462 4.088 20 0 EIADLP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190426669 1051181207 /nfs/dbraw/zinc/18/12/07/1051181207.db2.gz JGLQLUUKYSWTTF-NRFANRHFSA-N 2 2 347.462 4.088 20 0 EIADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191071765 1051341234 /nfs/dbraw/zinc/34/12/34/1051341234.db2.gz ZKWXQURGYVTWNH-HNNXBMFYSA-N 2 2 341.326 4.344 20 0 EIADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191071765 1051341243 /nfs/dbraw/zinc/34/12/43/1051341243.db2.gz ZKWXQURGYVTWNH-HNNXBMFYSA-N 2 2 341.326 4.344 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCc3ccccc3C2)CCC1 ZINC001181913159 1051350232 /nfs/dbraw/zinc/35/02/32/1051350232.db2.gz MGHNDVUDWXXABC-OAQYLSRUSA-N 2 2 348.534 4.436 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCc3ccccc3C2)CCC1 ZINC001181913159 1051350243 /nfs/dbraw/zinc/35/02/43/1051350243.db2.gz MGHNDVUDWXXABC-OAQYLSRUSA-N 2 2 348.534 4.436 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC001191220789 1051397846 /nfs/dbraw/zinc/39/78/46/1051397846.db2.gz BZXDSXNJDPFYGM-PGRDOPGGSA-N 2 2 331.463 4.498 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC001191220789 1051397855 /nfs/dbraw/zinc/39/78/55/1051397855.db2.gz BZXDSXNJDPFYGM-PGRDOPGGSA-N 2 2 331.463 4.498 20 0 EIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1cccc(C(C)(C)C)c1 ZINC001191486361 1051463849 /nfs/dbraw/zinc/46/38/49/1051463849.db2.gz PIRDXEJWTXVSIQ-UXHICEINSA-N 2 2 344.543 4.312 20 0 EIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1cccc(C(C)(C)C)c1 ZINC001191486361 1051463857 /nfs/dbraw/zinc/46/38/57/1051463857.db2.gz PIRDXEJWTXVSIQ-UXHICEINSA-N 2 2 344.543 4.312 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC001191486361 1051463863 /nfs/dbraw/zinc/46/38/63/1051463863.db2.gz PIRDXEJWTXVSIQ-UXHICEINSA-N 2 2 344.543 4.312 20 0 EIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC001191486361 1051463867 /nfs/dbraw/zinc/46/38/67/1051463867.db2.gz PIRDXEJWTXVSIQ-UXHICEINSA-N 2 2 344.543 4.312 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182844130 1051714438 /nfs/dbraw/zinc/71/44/38/1051714438.db2.gz JMFMKUVDJJWAIA-CJNGLKHVSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182844130 1051714455 /nfs/dbraw/zinc/71/44/55/1051714455.db2.gz JMFMKUVDJJWAIA-CJNGLKHVSA-N 2 2 328.422 4.099 20 0 EIADLP CO[C@H](C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291594 1051819561 /nfs/dbraw/zinc/81/95/61/1051819561.db2.gz KOOQVKLMQJNYKR-FGZHOGPDSA-N 2 2 344.543 4.226 20 0 EIADLP CO[C@H](C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001183291594 1051819564 /nfs/dbraw/zinc/81/95/64/1051819564.db2.gz KOOQVKLMQJNYKR-FGZHOGPDSA-N 2 2 344.543 4.226 20 0 EIADLP C[C@@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)[NH+]1CCCCC1 ZINC000184341499 1051912418 /nfs/dbraw/zinc/91/24/18/1051912418.db2.gz OVSLRHCJDXNDQE-ZDUSSCGKSA-N 2 2 332.460 4.090 20 0 EIADLP Cn1c[nH+]cc1C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001184364431 1051993519 /nfs/dbraw/zinc/99/35/19/1051993519.db2.gz RVKNTUBDGQATOI-UHFFFAOYSA-N 2 2 345.490 4.432 20 0 EIADLP C[C@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCCC1 ZINC000165330299 1052056535 /nfs/dbraw/zinc/05/65/35/1052056535.db2.gz NONIPJUHFLEJRA-CVEARBPZSA-N 2 2 329.513 4.193 20 0 EIADLP c1cn(-c2ccccc2C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000166291333 1052090891 /nfs/dbraw/zinc/09/08/91/1052090891.db2.gz UEICLAJMXCRROP-GHTZIAJQSA-N 2 2 347.462 4.130 20 0 EIADLP CCC[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891237 1052201885 /nfs/dbraw/zinc/20/18/85/1052201885.db2.gz CDINVZZBBNDFLP-NRFANRHFSA-N 2 2 344.543 4.321 20 0 EIADLP CCC[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891237 1052201888 /nfs/dbraw/zinc/20/18/88/1052201888.db2.gz CDINVZZBBNDFLP-NRFANRHFSA-N 2 2 344.543 4.321 20 0 EIADLP Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC001185252280 1052202866 /nfs/dbraw/zinc/20/28/66/1052202866.db2.gz DOJJUTXLAMMXBA-SFHVURJKSA-N 2 2 342.531 4.145 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000177935660 1052694404 /nfs/dbraw/zinc/69/44/04/1052694404.db2.gz QESCFASFPYADHD-OAQYLSRUSA-N 2 2 331.463 4.444 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000178606548 1052709736 /nfs/dbraw/zinc/70/97/36/1052709736.db2.gz BVCFPAQWUIFOCA-IFXJQAMLSA-N 2 2 330.422 4.127 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000178606548 1052709743 /nfs/dbraw/zinc/70/97/43/1052709743.db2.gz BVCFPAQWUIFOCA-IFXJQAMLSA-N 2 2 330.422 4.127 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000180405455 1052799087 /nfs/dbraw/zinc/79/90/87/1052799087.db2.gz FZJASSABOQLZMV-CYBMUJFWSA-N 2 2 330.394 4.109 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)[C@@H]1c1cccs1 ZINC000623898721 1052832591 /nfs/dbraw/zinc/83/25/91/1052832591.db2.gz PBOOQDKGLIDODP-HBUWYVDXSA-N 2 2 347.553 4.255 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)[C@@H]1c1cccs1 ZINC000623898721 1052832593 /nfs/dbraw/zinc/83/25/93/1052832593.db2.gz PBOOQDKGLIDODP-HBUWYVDXSA-N 2 2 347.553 4.255 20 0 EIADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000623985994 1052844533 /nfs/dbraw/zinc/84/45/33/1052844533.db2.gz IFNFDZVLIMEYDW-YVEFUNNKSA-N 2 2 340.858 4.069 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623987262 1052845444 /nfs/dbraw/zinc/84/54/44/1052845444.db2.gz UKYLLEDQWFZAFQ-HKUYNNGSSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623987262 1052845446 /nfs/dbraw/zinc/84/54/46/1052845446.db2.gz UKYLLEDQWFZAFQ-HKUYNNGSSA-N 2 2 343.540 4.404 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124101 1052868463 /nfs/dbraw/zinc/86/84/63/1052868463.db2.gz XFYSWAWCGDUOOD-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124101 1052868465 /nfs/dbraw/zinc/86/84/65/1052868465.db2.gz XFYSWAWCGDUOOD-JKSUJKDBSA-N 2 2 329.513 4.193 20 0 EIADLP CC[N@@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)C1 ZINC000182883521 1052954060 /nfs/dbraw/zinc/95/40/60/1052954060.db2.gz UNCFTADKSSJWGG-UZLBHIALSA-N 2 2 338.499 4.029 20 0 EIADLP CC[N@H+]1CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)[C@H](C)C1 ZINC000182883521 1052954064 /nfs/dbraw/zinc/95/40/64/1052954064.db2.gz UNCFTADKSSJWGG-UZLBHIALSA-N 2 2 338.499 4.029 20 0 EIADLP CSc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000366951039 1053000340 /nfs/dbraw/zinc/00/03/40/1053000340.db2.gz ICYFFEOYNGKZQQ-OAHLLOKOSA-N 2 2 327.497 4.123 20 0 EIADLP c1cn(-c2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)c[nH+]1 ZINC000339067969 1053243190 /nfs/dbraw/zinc/24/31/90/1053243190.db2.gz IPKRJIQNBAHBPN-UGKGYDQZSA-N 2 2 347.462 4.130 20 0 EIADLP Clc1ccc2c(c1Cl)OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000764741384 1053286687 /nfs/dbraw/zinc/28/66/87/1053286687.db2.gz CLKJVNHQFNGAQM-OAHLLOKOSA-N 2 2 341.282 4.033 20 0 EIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000765251309 1053475655 /nfs/dbraw/zinc/47/56/55/1053475655.db2.gz ONZUNNOSGLMTLX-HKUYNNGSSA-N 2 2 339.483 4.334 20 0 EIADLP COc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1SC ZINC000765252024 1053476747 /nfs/dbraw/zinc/47/67/47/1053476747.db2.gz PGWAWOIJEBRQDZ-KDOFPFPSSA-N 2 2 347.528 4.379 20 0 EIADLP CCC[N@H+](CC1CC(F)(F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198640488 1054215351 /nfs/dbraw/zinc/21/53/51/1054215351.db2.gz DEAOZNKHKKAKCH-UHFFFAOYSA-N 2 2 336.470 4.408 20 0 EIADLP CCC[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198640488 1054215363 /nfs/dbraw/zinc/21/53/63/1054215363.db2.gz DEAOZNKHKKAKCH-UHFFFAOYSA-N 2 2 336.470 4.408 20 0 EIADLP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790465 1054252837 /nfs/dbraw/zinc/25/28/37/1054252837.db2.gz IIQLBCZYAQZAQW-SFHVURJKSA-N 2 2 340.515 4.084 20 0 EIADLP CN(C)c1ccccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790465 1054252850 /nfs/dbraw/zinc/25/28/50/1054252850.db2.gz IIQLBCZYAQZAQW-SFHVURJKSA-N 2 2 340.515 4.084 20 0 EIADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000872040341 1054352286 /nfs/dbraw/zinc/35/22/86/1054352286.db2.gz XXYAVYATHSSYTN-JKSUJKDBSA-N 2 2 339.405 4.415 20 0 EIADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858152183 1054426860 /nfs/dbraw/zinc/42/68/60/1054426860.db2.gz HBLCPDYQNWWYLE-SSKFGXFMSA-N 2 2 341.543 4.311 20 0 EIADLP C[C@]1(C[NH2+][C@H]2CCCc3scnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000858414664 1054484731 /nfs/dbraw/zinc/48/47/31/1054484731.db2.gz FWWSCRMYXDMFKV-FXAWDEMLSA-N 2 2 341.524 4.022 20 0 EIADLP C[C@]1(C[NH2+][C@H]2CCCc3scnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000858414664 1054484739 /nfs/dbraw/zinc/48/47/39/1054484739.db2.gz FWWSCRMYXDMFKV-FXAWDEMLSA-N 2 2 341.524 4.022 20 0 EIADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)cs1 ZINC001201410011 1054802211 /nfs/dbraw/zinc/80/22/11/1054802211.db2.gz GOFRJALRMGDPMA-SFHVURJKSA-N 2 2 345.556 4.238 20 0 EIADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)cs1 ZINC001201410011 1054802219 /nfs/dbraw/zinc/80/22/19/1054802219.db2.gz GOFRJALRMGDPMA-SFHVURJKSA-N 2 2 345.556 4.238 20 0 EIADLP Cc1[nH+]c2ccc(N)cc2n1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475070 1054829425 /nfs/dbraw/zinc/82/94/25/1054829425.db2.gz RDAYVIOFNUDVHJ-MOPGFXCFSA-N 2 2 344.462 4.205 20 0 EIADLP Cc1[nH+]c2ccc(N)cc2n1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475070 1054829429 /nfs/dbraw/zinc/82/94/29/1054829429.db2.gz RDAYVIOFNUDVHJ-MOPGFXCFSA-N 2 2 344.462 4.205 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380163 1055059065 /nfs/dbraw/zinc/05/90/65/1055059065.db2.gz SEQIQNUWBOVLIV-QWRGUYRKSA-N 2 2 349.828 4.277 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380163 1055059081 /nfs/dbraw/zinc/05/90/81/1055059081.db2.gz SEQIQNUWBOVLIV-QWRGUYRKSA-N 2 2 349.828 4.277 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380312 1055060290 /nfs/dbraw/zinc/06/02/90/1055060290.db2.gz TYBRTSBXJUNWNY-TUAOUCFPSA-N 2 2 347.812 4.031 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380312 1055060305 /nfs/dbraw/zinc/06/03/05/1055060305.db2.gz TYBRTSBXJUNWNY-TUAOUCFPSA-N 2 2 347.812 4.031 20 0 EIADLP CC(C)Oc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000069675984 1055119092 /nfs/dbraw/zinc/11/90/92/1055119092.db2.gz CYUCWHQQGLGLRX-UHFFFAOYSA-N 2 2 335.451 4.008 20 0 EIADLP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000338694759 1056057181 /nfs/dbraw/zinc/05/71/81/1056057181.db2.gz PIJUMMCTQYTNMN-KRWDZBQOSA-N 2 2 348.288 4.093 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000474893633 1056098876 /nfs/dbraw/zinc/09/88/76/1056098876.db2.gz DVAHQHWUVHNKQB-NFOMZHRRSA-N 2 2 329.410 4.230 20 0 EIADLP COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000742393486 1058593967 /nfs/dbraw/zinc/59/39/67/1058593967.db2.gz XNDFWSVTHSONSF-AWEZNQCLSA-N 2 2 341.842 4.385 20 0 EIADLP C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325720 1059771042 /nfs/dbraw/zinc/77/10/42/1059771042.db2.gz MVMXPLRPJXFRRD-FZKQIMNGSA-N 2 2 339.826 4.310 20 0 EIADLP Cc1[nH]c(C[NH2+][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC001169126233 1060651730 /nfs/dbraw/zinc/65/17/30/1060651730.db2.gz YHNYVUWHLQAWST-WDEREUQCSA-N 2 2 325.378 4.327 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000532193513 1032081329 /nfs/dbraw/zinc/08/13/29/1032081329.db2.gz FSDISIDFGNCQQW-MJGOQNOKSA-N 2 2 339.483 4.063 20 0 EIADLP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000532193513 1032081347 /nfs/dbraw/zinc/08/13/47/1032081347.db2.gz FSDISIDFGNCQQW-MJGOQNOKSA-N 2 2 339.483 4.063 20 0 EIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000532210698 1032093004 /nfs/dbraw/zinc/09/30/04/1032093004.db2.gz IEUHHDSTKVHYKC-LAUBAEHRSA-N 2 2 338.495 4.200 20 0 EIADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)no1 ZINC000459375430 1032096649 /nfs/dbraw/zinc/09/66/49/1032096649.db2.gz PVBJBNTXRWRWJG-UHFFFAOYSA-N 2 2 327.472 4.037 20 0 EIADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)no1 ZINC000459375430 1032096661 /nfs/dbraw/zinc/09/66/61/1032096661.db2.gz PVBJBNTXRWRWJG-UHFFFAOYSA-N 2 2 327.472 4.037 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000532243403 1032124390 /nfs/dbraw/zinc/12/43/90/1032124390.db2.gz NCEPMMIYEXEGLK-UKRRQHHQSA-N 2 2 333.863 4.082 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000532804492 1032322063 /nfs/dbraw/zinc/32/20/63/1032322063.db2.gz IZAGIRGLHHPDOX-KRWDZBQOSA-N 2 2 337.492 4.460 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000178320656 1032533940 /nfs/dbraw/zinc/53/39/40/1032533940.db2.gz HPFMFWRVPFTBKV-DXIQSLLYSA-N 2 2 337.511 4.075 20 0 EIADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000178320656 1032533945 /nfs/dbraw/zinc/53/39/45/1032533945.db2.gz HPFMFWRVPFTBKV-DXIQSLLYSA-N 2 2 337.511 4.075 20 0 EIADLP CCc1cnc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000394912759 1032542043 /nfs/dbraw/zinc/54/20/43/1032542043.db2.gz HVZFWWVCFWBIAI-SFHVURJKSA-N 2 2 343.540 4.097 20 0 EIADLP CCc1cnc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394912759 1032542052 /nfs/dbraw/zinc/54/20/52/1032542052.db2.gz HVZFWWVCFWBIAI-SFHVURJKSA-N 2 2 343.540 4.097 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cn1 ZINC000121166969 1032547578 /nfs/dbraw/zinc/54/75/78/1032547578.db2.gz UXRLVTDNAJYBBD-UHFFFAOYSA-N 2 2 344.418 4.126 20 0 EIADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000124481402 1032587684 /nfs/dbraw/zinc/58/76/84/1032587684.db2.gz ABTSQUMQJDDDPF-QGZVFWFLSA-N 2 2 343.471 4.016 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000643546875 1018911280 /nfs/dbraw/zinc/91/12/80/1018911280.db2.gz WAQCPHXNBRLUOQ-HOCLYGCPSA-N 2 2 327.497 4.135 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1csc(-c2ccccc2F)n1 ZINC000643548817 1018932478 /nfs/dbraw/zinc/93/24/78/1018932478.db2.gz VVNDOXCFCXUGTC-KBPBESRZSA-N 2 2 345.487 4.275 20 0 EIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(Cl)c1 ZINC000432793261 1032811598 /nfs/dbraw/zinc/81/15/98/1032811598.db2.gz OFOZRGZRTYBXTA-UHFFFAOYSA-N 2 2 335.835 4.358 20 0 EIADLP Cc1cc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430216033 1019416020 /nfs/dbraw/zinc/41/60/20/1019416020.db2.gz DGOWVLIGMZPDQI-KRWDZBQOSA-N 2 2 348.288 4.181 20 0 EIADLP Cc1cc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)ccc1Br ZINC000430216033 1019416029 /nfs/dbraw/zinc/41/60/29/1019416029.db2.gz DGOWVLIGMZPDQI-KRWDZBQOSA-N 2 2 348.288 4.181 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895908 1019841195 /nfs/dbraw/zinc/84/11/95/1019841195.db2.gz KEXFROIPLNLWLA-NEWSRXKRSA-N 2 2 343.540 4.403 20 0 EIADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000274895908 1019841199 /nfs/dbraw/zinc/84/11/99/1019841199.db2.gz KEXFROIPLNLWLA-NEWSRXKRSA-N 2 2 343.540 4.403 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981475 1019886647 /nfs/dbraw/zinc/88/66/47/1019886647.db2.gz ZJGXSLGCNWCURR-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000274981475 1019886650 /nfs/dbraw/zinc/88/66/50/1019886650.db2.gz ZJGXSLGCNWCURR-CABCVRRESA-N 2 2 349.931 4.359 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)oc21 ZINC000326675087 1020517204 /nfs/dbraw/zinc/51/72/04/1020517204.db2.gz NUDHFTCZJKSTCM-KBXCAEBGSA-N 2 2 341.455 4.403 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000326712856 1020564334 /nfs/dbraw/zinc/56/43/34/1020564334.db2.gz BCGAEALODZJICI-VQIMIIECSA-N 2 2 345.487 4.056 20 0 EIADLP CCCc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694850 1020902594 /nfs/dbraw/zinc/90/25/94/1020902594.db2.gz HOQRJIGRQDLLOY-FCHUYYIVSA-N 2 2 344.543 4.179 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848074 1021012829 /nfs/dbraw/zinc/01/28/29/1021012829.db2.gz AQQRHNDPYQXHJP-MTNREXPMSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848074 1021012837 /nfs/dbraw/zinc/01/28/37/1021012837.db2.gz AQQRHNDPYQXHJP-MTNREXPMSA-N 2 2 335.495 4.416 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000121832577 1021066123 /nfs/dbraw/zinc/06/61/23/1021066123.db2.gz AWSXCDYWFLTWAQ-JOCHJYFZSA-N 2 2 337.511 4.138 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000340469738 1021074447 /nfs/dbraw/zinc/07/44/47/1021074447.db2.gz KUUGVSOTNDOMBY-WBVHZDCISA-N 2 2 327.472 4.066 20 0 EIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000340469738 1021074460 /nfs/dbraw/zinc/07/44/60/1021074460.db2.gz KUUGVSOTNDOMBY-WBVHZDCISA-N 2 2 327.472 4.066 20 0 EIADLP C[C@H](Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH+](C)CC1 ZINC000683694232 1021104427 /nfs/dbraw/zinc/10/44/27/1021104427.db2.gz NSVUCSMLWSSNRN-INIZCTEOSA-N 2 2 338.499 4.029 20 0 EIADLP CC1=C[C@H](C)C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835058 1021658551 /nfs/dbraw/zinc/65/85/51/1021658551.db2.gz ZSGUTMXHQPRRCU-ICSRJNTNSA-N 2 2 341.543 4.013 20 0 EIADLP CC1=C[C@H](C)C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000685835058 1021658560 /nfs/dbraw/zinc/65/85/60/1021658560.db2.gz ZSGUTMXHQPRRCU-ICSRJNTNSA-N 2 2 341.543 4.013 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139190 1021676553 /nfs/dbraw/zinc/67/65/53/1021676553.db2.gz MSFCCOJIGXUQFL-ZRGWGRIASA-N 2 2 343.540 4.321 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000310139190 1021676566 /nfs/dbraw/zinc/67/65/66/1021676566.db2.gz MSFCCOJIGXUQFL-ZRGWGRIASA-N 2 2 343.540 4.321 20 0 EIADLP Clc1cccc([C@H]2CC[C@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)c1 ZINC000414058092 1021752450 /nfs/dbraw/zinc/75/24/50/1021752450.db2.gz GUTMBXNGAJQVOH-WMZOPIPTSA-N 2 2 343.902 4.341 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)CCC2 ZINC000377837409 1022043999 /nfs/dbraw/zinc/04/39/99/1022043999.db2.gz MKTLKSWIYXSKLK-GOSISDBHSA-N 2 2 339.483 4.180 20 0 EIADLP CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580483584 1022083256 /nfs/dbraw/zinc/08/32/56/1022083256.db2.gz LXQOPKOCXNAGIW-JOCHJYFZSA-N 2 2 333.479 4.432 20 0 EIADLP Cc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)o1 ZINC000345069147 1033023683 /nfs/dbraw/zinc/02/36/83/1033023683.db2.gz QYGSPASZWAGDLD-HXUWFJFHSA-N 2 2 325.456 4.083 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1C ZINC000174513080 1022096178 /nfs/dbraw/zinc/09/61/78/1022096178.db2.gz IWOADXZDAYRVHA-ZIAGYGMSSA-N 2 2 341.480 4.129 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1C ZINC000174513080 1022096201 /nfs/dbraw/zinc/09/62/01/1022096201.db2.gz IWOADXZDAYRVHA-ZIAGYGMSSA-N 2 2 341.480 4.129 20 0 EIADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653028 1022284320 /nfs/dbraw/zinc/28/43/20/1022284320.db2.gz WAFSSLSPNZDKPL-CRAIPNDOSA-N 2 2 329.513 4.178 20 0 EIADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653028 1022284343 /nfs/dbraw/zinc/28/43/43/1022284343.db2.gz WAFSSLSPNZDKPL-CRAIPNDOSA-N 2 2 329.513 4.178 20 0 EIADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cc(OC(F)(F)F)c2)CC1 ZINC001143468152 1022303553 /nfs/dbraw/zinc/30/35/53/1022303553.db2.gz BWSNFDQQXYQOMN-UHFFFAOYSA-N 2 2 344.421 4.200 20 0 EIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000684020013 1022355569 /nfs/dbraw/zinc/35/55/69/1022355569.db2.gz DPYQVGAWAKZZNX-GOSISDBHSA-N 2 2 325.500 4.112 20 0 EIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000684020013 1022355587 /nfs/dbraw/zinc/35/55/87/1022355587.db2.gz DPYQVGAWAKZZNX-GOSISDBHSA-N 2 2 325.500 4.112 20 0 EIADLP CC[N@@H+](Cc1cc2ccccc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000684020431 1022365762 /nfs/dbraw/zinc/36/57/62/1022365762.db2.gz CHAGQBYHJJXHRR-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP CC[N@H+](Cc1cc2ccccc2[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000684020431 1022365776 /nfs/dbraw/zinc/36/57/76/1022365776.db2.gz CHAGQBYHJJXHRR-UHFFFAOYSA-N 2 2 348.494 4.301 20 0 EIADLP c1ccc(-c2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)c2)nc1 ZINC001203155727 1022384838 /nfs/dbraw/zinc/38/48/38/1022384838.db2.gz FNZMVOPYFPDOPP-OAQYLSRUSA-N 2 2 335.495 4.245 20 0 EIADLP c1ccc(-c2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)c2)nc1 ZINC001203155727 1022384845 /nfs/dbraw/zinc/38/48/45/1022384845.db2.gz FNZMVOPYFPDOPP-OAQYLSRUSA-N 2 2 335.495 4.245 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)CCC2 ZINC000378184918 1022489019 /nfs/dbraw/zinc/48/90/19/1022489019.db2.gz QKMAUIPUDDNXSF-KGLIPLIRSA-N 2 2 337.389 4.439 20 0 EIADLP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C ZINC000893201409 1022669720 /nfs/dbraw/zinc/66/97/20/1022669720.db2.gz UYFDQOYFUWOXFH-LJQANCHMSA-N 2 2 337.511 4.056 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000378338357 1022717641 /nfs/dbraw/zinc/71/76/41/1022717641.db2.gz LEBXDSKPWLTGMP-VPWXQRGCSA-N 2 2 343.902 4.469 20 0 EIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)c1ccccn1 ZINC000378338357 1022717654 /nfs/dbraw/zinc/71/76/54/1022717654.db2.gz LEBXDSKPWLTGMP-VPWXQRGCSA-N 2 2 343.902 4.469 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000580981834 1022781081 /nfs/dbraw/zinc/78/10/81/1022781081.db2.gz NMKSAYPSLUNQDM-APWZRJJASA-N 2 2 329.875 4.442 20 0 EIADLP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000581291058 1022969303 /nfs/dbraw/zinc/96/93/03/1022969303.db2.gz VJDGIAAQBZXWKD-MJGOQNOKSA-N 2 2 331.891 4.318 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1 ZINC000656503603 1023075178 /nfs/dbraw/zinc/07/51/78/1023075178.db2.gz OZAPBAXWLHWTEX-LJQANCHMSA-N 2 2 339.870 4.190 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306864 1023255508 /nfs/dbraw/zinc/25/55/08/1023255508.db2.gz AZNBTPVWJXFCIJ-VNQPRFMTSA-N 2 2 341.455 4.355 20 0 EIADLP Fc1cccc(C[NH+]2CCC([NH2+]CC3(C(F)(F)F)CCC3)CC2)c1 ZINC000377131830 1023382405 /nfs/dbraw/zinc/38/24/05/1023382405.db2.gz WEFHXGADKIPUDO-UHFFFAOYSA-N 2 2 344.396 4.112 20 0 EIADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415084014 1023431170 /nfs/dbraw/zinc/43/11/70/1023431170.db2.gz QPWTXUXYJQIPJI-ABAIWWIYSA-N 2 2 335.904 4.175 20 0 EIADLP Cc1sc([C@H](C)[NH2+]C2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000415091744 1023443046 /nfs/dbraw/zinc/44/30/46/1023443046.db2.gz ZUZVEXJYZKATGM-NSHDSACASA-N 2 2 335.904 4.175 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000163724701 1023502417 /nfs/dbraw/zinc/50/24/17/1023502417.db2.gz UWRRGNWXSOPISD-MRXNPFEDSA-N 2 2 344.886 4.023 20 0 EIADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000564958817 1023530023 /nfs/dbraw/zinc/53/00/23/1023530023.db2.gz LBSRUWVHQPCHJE-LJQANCHMSA-N 2 2 342.433 4.252 20 0 EIADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000564958817 1023530027 /nfs/dbraw/zinc/53/00/27/1023530027.db2.gz LBSRUWVHQPCHJE-LJQANCHMSA-N 2 2 342.433 4.252 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564571 1023681646 /nfs/dbraw/zinc/68/16/46/1023681646.db2.gz ALDANMRGYVSNQA-UZLBHIALSA-N 2 2 341.474 4.172 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(F)cn1 ZINC000390564571 1023681657 /nfs/dbraw/zinc/68/16/57/1023681657.db2.gz ALDANMRGYVSNQA-UZLBHIALSA-N 2 2 341.474 4.172 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390571495 1023688583 /nfs/dbraw/zinc/68/85/83/1023688583.db2.gz CDBRIKKAWXPLMM-SQNIBIBYSA-N 2 2 340.433 4.362 20 0 EIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390571495 1023688587 /nfs/dbraw/zinc/68/85/87/1023688587.db2.gz CDBRIKKAWXPLMM-SQNIBIBYSA-N 2 2 340.433 4.362 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000377750838 1023741849 /nfs/dbraw/zinc/74/18/49/1023741849.db2.gz WTCJWEDELPJKBG-SJORKVTESA-N 2 2 328.431 4.111 20 0 EIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000377750838 1023741854 /nfs/dbraw/zinc/74/18/54/1023741854.db2.gz WTCJWEDELPJKBG-SJORKVTESA-N 2 2 328.431 4.111 20 0 EIADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@@H](C)C2)s1 ZINC000377783701 1023758287 /nfs/dbraw/zinc/75/82/87/1023758287.db2.gz FMRYBHPXYFPFKH-UGSOOPFHSA-N 2 2 349.931 4.105 20 0 EIADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@@H](C)C2)s1 ZINC000377783701 1023758295 /nfs/dbraw/zinc/75/82/95/1023758295.db2.gz FMRYBHPXYFPFKH-UGSOOPFHSA-N 2 2 349.931 4.105 20 0 EIADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)s1 ZINC000377783697 1023758847 /nfs/dbraw/zinc/75/88/47/1023758847.db2.gz FMRYBHPXYFPFKH-FZKQIMNGSA-N 2 2 349.931 4.105 20 0 EIADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)s1 ZINC000377783697 1023758850 /nfs/dbraw/zinc/75/88/50/1023758850.db2.gz FMRYBHPXYFPFKH-FZKQIMNGSA-N 2 2 349.931 4.105 20 0 EIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000377798057 1023762595 /nfs/dbraw/zinc/76/25/95/1023762595.db2.gz CWRLETJWISCUQD-PKOBYXMFSA-N 2 2 335.451 4.170 20 0 EIADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000377798055 1023763680 /nfs/dbraw/zinc/76/36/80/1023763680.db2.gz CWRLETJWISCUQD-IEBWSBKVSA-N 2 2 335.451 4.170 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(Cl)oc3ccccc31)CCC2 ZINC000341485658 1023808825 /nfs/dbraw/zinc/80/88/25/1023808825.db2.gz UNCRKVZRSQZREL-CYBMUJFWSA-N 2 2 329.831 4.258 20 0 EIADLP CSc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481513 1023862975 /nfs/dbraw/zinc/86/29/75/1023862975.db2.gz PEFQGNWGYSSOTH-KRWDZBQOSA-N 2 2 341.524 4.321 20 0 EIADLP CSc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000660481513 1023862978 /nfs/dbraw/zinc/86/29/78/1023862978.db2.gz PEFQGNWGYSSOTH-KRWDZBQOSA-N 2 2 341.524 4.321 20 0 EIADLP CCCOc1ccc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000511792397 1023888476 /nfs/dbraw/zinc/88/84/76/1023888476.db2.gz NNJDRMAIEVJZAE-UHFFFAOYSA-N 2 2 347.528 4.018 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510539187 1024005956 /nfs/dbraw/zinc/00/59/56/1024005956.db2.gz PNVDJKAQFXWZGW-IBGZPJMESA-N 2 2 347.462 4.465 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510539187 1024005970 /nfs/dbraw/zinc/00/59/70/1024005970.db2.gz PNVDJKAQFXWZGW-IBGZPJMESA-N 2 2 347.462 4.465 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651713478 1024244079 /nfs/dbraw/zinc/24/40/79/1024244079.db2.gz ROVVUFXWIXEYFL-INIZCTEOSA-N 2 2 335.451 4.143 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651713479 1024246007 /nfs/dbraw/zinc/24/60/07/1024246007.db2.gz ROVVUFXWIXEYFL-MRXNPFEDSA-N 2 2 335.451 4.143 20 0 EIADLP Cc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccc(F)c2)c1 ZINC000510698931 1024252249 /nfs/dbraw/zinc/25/22/49/1024252249.db2.gz ADIANPLCNCZDCB-QFIPXVFZSA-N 2 2 338.470 4.440 20 0 EIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000511941344 1024821724 /nfs/dbraw/zinc/82/17/24/1024821724.db2.gz IPXJIRHLNLNLER-GOSISDBHSA-N 2 2 329.513 4.105 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742292 1024844465 /nfs/dbraw/zinc/84/44/65/1024844465.db2.gz IOMIBJRLGVZZHI-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742292 1024844466 /nfs/dbraw/zinc/84/44/66/1024844466.db2.gz IOMIBJRLGVZZHI-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742292 1024844469 /nfs/dbraw/zinc/84/44/69/1024844469.db2.gz IOMIBJRLGVZZHI-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093742292 1024844471 /nfs/dbraw/zinc/84/44/71/1024844471.db2.gz IOMIBJRLGVZZHI-CQSZACIVSA-N 2 2 335.542 4.035 20 0 EIADLP Clc1cccc(Cl)c1CCC[NH2+]CCCCn1cc[nH+]c1 ZINC000684613178 1025090213 /nfs/dbraw/zinc/09/02/13/1025090213.db2.gz CQTNDQKBPCOXJS-UHFFFAOYSA-N 2 2 326.271 4.193 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000277148629 1025126815 /nfs/dbraw/zinc/12/68/15/1025126815.db2.gz YEXWTBIGFNEUMJ-UHFFFAOYSA-N 2 2 347.462 4.010 20 0 EIADLP Clc1scc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1Cl ZINC000663344323 1025140331 /nfs/dbraw/zinc/14/03/31/1025140331.db2.gz RMPLORLYYWGKBQ-GFCCVEGCSA-N 2 2 333.328 4.267 20 0 EIADLP Clc1scc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC000663344323 1025140338 /nfs/dbraw/zinc/14/03/38/1025140338.db2.gz RMPLORLYYWGKBQ-GFCCVEGCSA-N 2 2 333.328 4.267 20 0 EIADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c2ccccc12 ZINC000150975482 1025242349 /nfs/dbraw/zinc/24/23/49/1025242349.db2.gz CQQZWCFJVIOSAG-CVEARBPZSA-N 2 2 335.451 4.019 20 0 EIADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151305904 1025280407 /nfs/dbraw/zinc/28/04/07/1025280407.db2.gz STMCJOTZYWAOFV-CQSZACIVSA-N 2 2 340.496 4.110 20 0 EIADLP Cc1ccccc1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000511989696 1025429825 /nfs/dbraw/zinc/42/98/25/1025429825.db2.gz MKXOQEKFKILMED-SFHVURJKSA-N 2 2 331.529 4.390 20 0 EIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509250 1025811486 /nfs/dbraw/zinc/81/14/86/1025811486.db2.gz LXSHKUMNKXUFRD-SFHVURJKSA-N 2 2 331.891 4.194 20 0 EIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509250 1025811488 /nfs/dbraw/zinc/81/14/88/1025811488.db2.gz LXSHKUMNKXUFRD-SFHVURJKSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509250 1025811491 /nfs/dbraw/zinc/81/14/91/1025811491.db2.gz LXSHKUMNKXUFRD-SFHVURJKSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2ccc(Cl)cc2n1 ZINC001167509250 1025811496 /nfs/dbraw/zinc/81/14/96/1025811496.db2.gz LXSHKUMNKXUFRD-SFHVURJKSA-N 2 2 331.891 4.194 20 0 EIADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Sc2ccccn2)o1)C(C)(C)C ZINC000511041758 1025816294 /nfs/dbraw/zinc/81/62/94/1025816294.db2.gz IBADOPNDYWDEFY-INIZCTEOSA-N 2 2 347.528 4.282 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000344000060 1025866728 /nfs/dbraw/zinc/86/67/28/1025866728.db2.gz VWWITXPCNTXVLX-HSQYWUDLSA-N 2 2 347.462 4.443 20 0 EIADLP Fc1ccc(/C=C\C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000512099876 1025973319 /nfs/dbraw/zinc/97/33/19/1025973319.db2.gz OBKVBOACZVURPF-DJWKRKHSSA-N 2 2 339.389 4.013 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450808 1026037836 /nfs/dbraw/zinc/03/78/36/1026037836.db2.gz YEJVGOZGBCWKKH-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000432450808 1026037858 /nfs/dbraw/zinc/03/78/58/1026037858.db2.gz YEJVGOZGBCWKKH-UONOGXRCSA-N 2 2 345.314 4.145 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363814 1026305004 /nfs/dbraw/zinc/30/50/04/1026305004.db2.gz PJDDNNJCJMCJIX-XMJMUYDCSA-N 2 2 341.543 4.241 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657363814 1026305012 /nfs/dbraw/zinc/30/50/12/1026305012.db2.gz PJDDNNJCJMCJIX-XMJMUYDCSA-N 2 2 341.543 4.241 20 0 EIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192740 1026346007 /nfs/dbraw/zinc/34/60/07/1026346007.db2.gz BUEFTMLBGBGJEH-RBUKOAKNSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2=Cc3ccccc3OC2)C1 ZINC000512192740 1026346025 /nfs/dbraw/zinc/34/60/25/1026346025.db2.gz BUEFTMLBGBGJEH-RBUKOAKNSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192740 1026346040 /nfs/dbraw/zinc/34/60/40/1026346040.db2.gz BUEFTMLBGBGJEH-RBUKOAKNSA-N 2 2 340.511 4.049 20 0 EIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000512192740 1026346054 /nfs/dbraw/zinc/34/60/54/1026346054.db2.gz BUEFTMLBGBGJEH-RBUKOAKNSA-N 2 2 340.511 4.049 20 0 EIADLP CCOc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000657381777 1026394922 /nfs/dbraw/zinc/39/49/22/1026394922.db2.gz RHZADLXUKCICAS-OAQYLSRUSA-N 2 2 349.478 4.201 20 0 EIADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344523284 1026432821 /nfs/dbraw/zinc/43/28/21/1026432821.db2.gz XJJINVBDXDRIGC-SFHVURJKSA-N 2 2 327.472 4.038 20 0 EIADLP C[C@H](Nc1[nH+]ccc2c(N)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663778570 1026575920 /nfs/dbraw/zinc/57/59/20/1026575920.db2.gz GBCOVTHNSDLJEB-FUHWJXTLSA-N 2 2 346.478 4.140 20 0 EIADLP C[C@H](Nc1[nH+]ccc2c(N)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663778570 1026575929 /nfs/dbraw/zinc/57/59/29/1026575929.db2.gz GBCOVTHNSDLJEB-FUHWJXTLSA-N 2 2 346.478 4.140 20 0 EIADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000344898921 1026700469 /nfs/dbraw/zinc/70/04/69/1026700469.db2.gz VPUWFVKTQFFFOT-QGZVFWFLSA-N 2 2 343.452 4.010 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000507350565 1026757442 /nfs/dbraw/zinc/75/74/42/1026757442.db2.gz TVTFJJPEBLKWKR-UHFFFAOYSA-N 2 2 347.890 4.300 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000507350565 1026757453 /nfs/dbraw/zinc/75/74/53/1026757453.db2.gz TVTFJJPEBLKWKR-UHFFFAOYSA-N 2 2 347.890 4.300 20 0 EIADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512365080 1026807505 /nfs/dbraw/zinc/80/75/05/1026807505.db2.gz RNCMLXLEWBVHSA-UHFFFAOYSA-N 2 2 347.462 4.465 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000507608331 1026848271 /nfs/dbraw/zinc/84/82/71/1026848271.db2.gz WTCQJWLLMLHMDR-HXUWFJFHSA-N 2 2 331.463 4.421 20 0 EIADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000507608331 1026848277 /nfs/dbraw/zinc/84/82/77/1026848277.db2.gz WTCQJWLLMLHMDR-HXUWFJFHSA-N 2 2 331.463 4.421 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3cccnc32)c(C)c1 ZINC000684960988 1026900394 /nfs/dbraw/zinc/90/03/94/1026900394.db2.gz WBCANNHLYHEZBS-NHCUHLMSSA-N 2 2 346.478 4.303 20 0 EIADLP CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758085 1027065056 /nfs/dbraw/zinc/06/50/56/1027065056.db2.gz GJSXAKZYDNVWDE-UHFFFAOYSA-N 2 2 335.451 4.010 20 0 EIADLP COc1cccc2c(NC3CC[NH+](C4CCCC4)CC3)cc[nH+]c12 ZINC000302502995 1027322612 /nfs/dbraw/zinc/32/26/12/1027322612.db2.gz DDALFIRDZKIPMV-UHFFFAOYSA-N 2 2 325.456 4.062 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000302676753 1027358545 /nfs/dbraw/zinc/35/85/45/1027358545.db2.gz UTQLENRRJCEVLS-SJORKVTESA-N 2 2 339.483 4.003 20 0 EIADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000302676753 1027358558 /nfs/dbraw/zinc/35/85/58/1027358558.db2.gz UTQLENRRJCEVLS-SJORKVTESA-N 2 2 339.483 4.003 20 0 EIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474705733 1027422987 /nfs/dbraw/zinc/42/29/87/1027422987.db2.gz DQKTVEBNEVTWNG-ARFHVFGLSA-N 2 2 331.529 4.252 20 0 EIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474705733 1027423003 /nfs/dbraw/zinc/42/30/03/1027423003.db2.gz DQKTVEBNEVTWNG-ARFHVFGLSA-N 2 2 331.529 4.252 20 0 EIADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000475563107 1027630336 /nfs/dbraw/zinc/63/03/36/1027630336.db2.gz PZSGLAOCXAYMMM-NVXWUHKLSA-N 2 2 341.455 4.499 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646902 1027663977 /nfs/dbraw/zinc/66/39/77/1027663977.db2.gz AVBIPIAMXGBBRG-HYVNUMGLSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646902 1027663995 /nfs/dbraw/zinc/66/39/95/1027663995.db2.gz AVBIPIAMXGBBRG-HYVNUMGLSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646517 1027664283 /nfs/dbraw/zinc/66/42/83/1027664283.db2.gz AVBIPIAMXGBBRG-USXIJHARSA-N 2 2 327.497 4.088 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)cs1 ZINC000161646517 1027664312 /nfs/dbraw/zinc/66/43/12/1027664312.db2.gz AVBIPIAMXGBBRG-USXIJHARSA-N 2 2 327.497 4.088 20 0 EIADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000474883908 1027731645 /nfs/dbraw/zinc/73/16/45/1027731645.db2.gz RBXJFLRLADUTNS-INIZCTEOSA-N 2 2 341.474 4.098 20 0 EIADLP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305735437 1027806863 /nfs/dbraw/zinc/80/68/63/1027806863.db2.gz LSRWHAWFNMMAJF-IIDMSEBBSA-N 2 2 341.480 4.097 20 0 EIADLP CSc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000583024523 1027858410 /nfs/dbraw/zinc/85/84/10/1027858410.db2.gz ASYCWVKOPUIREY-LJQANCHMSA-N 2 2 341.524 4.151 20 0 EIADLP COc1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1 ZINC000523519398 1028172831 /nfs/dbraw/zinc/17/28/31/1028172831.db2.gz IMHPZZYJFOQMPN-GOSISDBHSA-N 2 2 338.495 4.448 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1Cl ZINC000154865597 1028319437 /nfs/dbraw/zinc/31/94/37/1028319437.db2.gz YDAYVKBJYZRHKD-QGZVFWFLSA-N 2 2 345.314 4.145 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000346319551 1028371327 /nfs/dbraw/zinc/37/13/27/1028371327.db2.gz YKBMNFMQLAITPR-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000346319551 1028371344 /nfs/dbraw/zinc/37/13/44/1028371344.db2.gz YKBMNFMQLAITPR-KRWDZBQOSA-N 2 2 337.389 4.438 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263032 1028374729 /nfs/dbraw/zinc/37/47/29/1028374729.db2.gz YQTXPSFENSWQPT-WMZOPIPTSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583263032 1028374754 /nfs/dbraw/zinc/37/47/54/1028374754.db2.gz YQTXPSFENSWQPT-WMZOPIPTSA-N 2 2 341.524 4.299 20 0 EIADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304957 1028376182 /nfs/dbraw/zinc/37/61/82/1028376182.db2.gz CXGCXEOQGVMKOE-SUMWQHHRSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000346304957 1028376203 /nfs/dbraw/zinc/37/62/03/1028376203.db2.gz CXGCXEOQGVMKOE-SUMWQHHRSA-N 2 2 337.389 4.293 20 0 EIADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000281412943 1028579324 /nfs/dbraw/zinc/57/93/24/1028579324.db2.gz ZMFKLMVHBYVTIT-RBUKOAKNSA-N 2 2 338.499 4.293 20 0 EIADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c(F)c1 ZINC000583385821 1028636004 /nfs/dbraw/zinc/63/60/04/1028636004.db2.gz VOYVSYVMFKGMHU-MRXNPFEDSA-N 2 2 342.458 4.150 20 0 EIADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173793 1028922337 /nfs/dbraw/zinc/92/23/37/1028922337.db2.gz ZPULPEWVKIZIIM-DOTOQJQBSA-N 2 2 329.513 4.093 20 0 EIADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000925177027 1029108226 /nfs/dbraw/zinc/10/82/26/1029108226.db2.gz MJQLMSLQXSSIGV-LLVKDONJSA-N 2 2 334.348 4.114 20 0 EIADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000925177027 1029108231 /nfs/dbraw/zinc/10/82/31/1029108231.db2.gz MJQLMSLQXSSIGV-LLVKDONJSA-N 2 2 334.348 4.114 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151306986 1029475093 /nfs/dbraw/zinc/47/50/93/1029475093.db2.gz INCYSPXAXGHZJP-ZHRRBRCNSA-N 2 2 349.453 4.484 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151341103 1029487006 /nfs/dbraw/zinc/48/70/06/1029487006.db2.gz DRVHSHUZUWTAPU-MSOLQXFVSA-N 2 2 349.478 4.222 20 0 EIADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000657816335 1029503185 /nfs/dbraw/zinc/50/31/85/1029503185.db2.gz KBDOKJDABBMWHE-LBPRGKRZSA-N 2 2 345.796 4.166 20 0 EIADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)[NH+]2CCCC2)o1 ZINC000301153653 1029677961 /nfs/dbraw/zinc/67/79/61/1029677961.db2.gz QJTJPMJLSWMTQX-MRXNPFEDSA-N 2 2 328.460 4.059 20 0 EIADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000089668723 1029852619 /nfs/dbraw/zinc/85/26/19/1029852619.db2.gz HLYRXDVKSGPCQI-NYVOZVTQSA-N 2 2 338.495 4.017 20 0 EIADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000089668723 1029852620 /nfs/dbraw/zinc/85/26/20/1029852620.db2.gz HLYRXDVKSGPCQI-NYVOZVTQSA-N 2 2 338.495 4.017 20 0 EIADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(C)noc1C ZINC000090887300 1029865190 /nfs/dbraw/zinc/86/51/90/1029865190.db2.gz APWKPWXSIMCMEM-HXUWFJFHSA-N 2 2 341.499 4.039 20 0 EIADLP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072857 1029900471 /nfs/dbraw/zinc/90/04/71/1029900471.db2.gz DMSQHTKSJWTHRD-IBGZPJMESA-N 2 2 347.462 4.465 20 0 EIADLP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072857 1029900488 /nfs/dbraw/zinc/90/04/88/1029900488.db2.gz DMSQHTKSJWTHRD-IBGZPJMESA-N 2 2 347.462 4.465 20 0 EIADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000181992675 1029931742 /nfs/dbraw/zinc/93/17/42/1029931742.db2.gz JIMNACDEEVCFSU-SFHVURJKSA-N 2 2 337.398 4.015 20 0 EIADLP CCc1ncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093318001 1029960948 /nfs/dbraw/zinc/96/09/48/1029960948.db2.gz PRQMTMGYDHIFTI-AEFFLSMTSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093318001 1029960978 /nfs/dbraw/zinc/96/09/78/1029960978.db2.gz PRQMTMGYDHIFTI-AEFFLSMTSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093318001 1029960998 /nfs/dbraw/zinc/96/09/98/1029960998.db2.gz PRQMTMGYDHIFTI-AEFFLSMTSA-N 2 2 343.540 4.190 20 0 EIADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000093318001 1029961023 /nfs/dbraw/zinc/96/10/23/1029961023.db2.gz PRQMTMGYDHIFTI-AEFFLSMTSA-N 2 2 343.540 4.190 20 0 EIADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(C)(C(C)C)CC3)sc2C1 ZINC000428478013 1029975414 /nfs/dbraw/zinc/97/54/14/1029975414.db2.gz BNDNRVUFFFMTOE-UHFFFAOYSA-N 2 2 335.561 4.168 20 0 EIADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(C)(C(C)C)CC3)sc2C1 ZINC000428478013 1029975442 /nfs/dbraw/zinc/97/54/42/1029975442.db2.gz BNDNRVUFFFMTOE-UHFFFAOYSA-N 2 2 335.561 4.168 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000378925334 1030093145 /nfs/dbraw/zinc/09/31/45/1030093145.db2.gz SGRGRTJIOKKQGD-QFIPXVFZSA-N 2 2 338.495 4.249 20 0 EIADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C(C)(C)C(F)F ZINC000657876693 1030147384 /nfs/dbraw/zinc/14/73/84/1030147384.db2.gz GWXVQMZODPWANN-CQSZACIVSA-N 2 2 334.520 4.008 20 0 EIADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220266 1030216157 /nfs/dbraw/zinc/21/61/57/1030216157.db2.gz NGUCOKKBSXCMKQ-MLGOLLRUSA-N 2 2 345.487 4.193 20 0 EIADLP c1nc(C2CCCCC2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530280715 1030266921 /nfs/dbraw/zinc/26/69/21/1030266921.db2.gz UIOAOLHSOHGKED-UHFFFAOYSA-N 2 2 333.545 4.297 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cc(F)cc(F)c2)CC1 ZINC000685467107 1030354911 /nfs/dbraw/zinc/35/49/11/1030354911.db2.gz DVMSUGWJFUGMIO-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cc(F)cc(F)c2)CC1 ZINC000685467107 1030354933 /nfs/dbraw/zinc/35/49/33/1030354933.db2.gz DVMSUGWJFUGMIO-UHFFFAOYSA-N 2 2 330.422 4.061 20 0 EIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685476881 1030367615 /nfs/dbraw/zinc/36/76/15/1030367615.db2.gz WHOOVCGCQSHLJP-BETUJISGSA-N 2 2 343.418 4.487 20 0 EIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685476881 1030367627 /nfs/dbraw/zinc/36/76/27/1030367627.db2.gz WHOOVCGCQSHLJP-BETUJISGSA-N 2 2 343.418 4.487 20 0 EIADLP CC[NH+](CC)CCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451298088 1030381691 /nfs/dbraw/zinc/38/16/91/1030381691.db2.gz VKQDBFKYLCKBDW-UHFFFAOYSA-N 2 2 349.466 4.073 20 0 EIADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000685662152 1030658922 /nfs/dbraw/zinc/65/89/22/1030658922.db2.gz LORPKLNWPUXEMH-WMLDXEAASA-N 2 2 337.389 4.273 20 0 EIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nc(C)cs1 ZINC000192176952 1030679788 /nfs/dbraw/zinc/67/97/88/1030679788.db2.gz QKTXOYLTNSCPSD-QGZVFWFLSA-N 2 2 326.469 4.187 20 0 EIADLP COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1F ZINC000192694185 1030711585 /nfs/dbraw/zinc/71/15/85/1030711585.db2.gz HYRZGJRJAPKBKE-AWEZNQCLSA-N 2 2 339.414 4.179 20 0 EIADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020524 1030782420 /nfs/dbraw/zinc/78/24/20/1030782420.db2.gz VTHMGZFNSBZTME-KMFMINBZSA-N 2 2 329.875 4.236 20 0 EIADLP C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658264145 1030918212 /nfs/dbraw/zinc/91/82/12/1030918212.db2.gz HJMXYZSZSGCMQV-NXVRBGIVSA-N 2 2 331.410 4.491 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949014 1030964250 /nfs/dbraw/zinc/96/42/50/1030964250.db2.gz NQICBPAWJMESSN-PBHICJAKSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cnc2ccsc2c1 ZINC000527949014 1030964267 /nfs/dbraw/zinc/96/42/67/1030964267.db2.gz NQICBPAWJMESSN-PBHICJAKSA-N 2 2 329.513 4.354 20 0 EIADLP C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527967880 1031011164 /nfs/dbraw/zinc/01/11/64/1031011164.db2.gz NFZPBKLDKIPQAY-IERDGZPVSA-N 2 2 332.451 4.459 20 0 EIADLP Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000449015208 1031343837 /nfs/dbraw/zinc/34/38/37/1031343837.db2.gz KQADVHDIAVVFNI-CYBMUJFWSA-N 2 2 342.443 4.052 20 0 EIADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000449084445 1031411616 /nfs/dbraw/zinc/41/16/16/1031411616.db2.gz XXZDYXRZGIQURS-IYBDPMFKSA-N 2 2 343.540 4.219 20 0 EIADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000449084445 1031411627 /nfs/dbraw/zinc/41/16/27/1031411627.db2.gz XXZDYXRZGIQURS-IYBDPMFKSA-N 2 2 343.540 4.219 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)CCC2 ZINC000449167214 1031506252 /nfs/dbraw/zinc/50/62/52/1031506252.db2.gz IPBRCZUVBSIPKP-JTQLQIEISA-N 2 2 330.284 4.227 20 0 EIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ncc(-c2ccccc2)n1C ZINC000453090147 1031582253 /nfs/dbraw/zinc/58/22/53/1031582253.db2.gz KUACSOZFFJFXBQ-KRWDZBQOSA-N 2 2 349.482 4.025 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112135 1031603770 /nfs/dbraw/zinc/60/37/70/1031603770.db2.gz STOPCEMKEQFIAJ-FXAWDEMLSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112135 1031603781 /nfs/dbraw/zinc/60/37/81/1031603781.db2.gz STOPCEMKEQFIAJ-FXAWDEMLSA-N 2 2 346.540 4.417 20 0 EIADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000449296100 1031604261 /nfs/dbraw/zinc/60/42/61/1031604261.db2.gz XTINKIVAAOABIE-WYEXVOONSA-N 2 2 332.454 4.206 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112153 1031604732 /nfs/dbraw/zinc/60/47/32/1031604732.db2.gz STOPCEMKEQFIAJ-PXNSSMCTSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1csc(C)c1)c1ccccc1 ZINC000453112153 1031604738 /nfs/dbraw/zinc/60/47/38/1031604738.db2.gz STOPCEMKEQFIAJ-PXNSSMCTSA-N 2 2 346.540 4.417 20 0 EIADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000449348192 1031645655 /nfs/dbraw/zinc/64/56/55/1031645655.db2.gz FXONQDYEMHCKFZ-HXUWFJFHSA-N 2 2 339.389 4.318 20 0 EIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cs1 ZINC000453176532 1031649070 /nfs/dbraw/zinc/64/90/70/1031649070.db2.gz RCVJAULUTVYPEU-HOTGVXAUSA-N 2 2 329.513 4.328 20 0 EIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccncc1 ZINC000453168978 1031674777 /nfs/dbraw/zinc/67/47/77/1031674777.db2.gz KCHMGJHRSOYZGI-SFTDATJTSA-N 2 2 334.467 4.377 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000449428560 1031724009 /nfs/dbraw/zinc/72/40/09/1031724009.db2.gz VEGRWGJBUNKKFT-DYESRHJHSA-N 2 2 336.479 4.153 20 0 EIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC(C)(C)C)CC2)cc1 ZINC000449522254 1031820778 /nfs/dbraw/zinc/82/07/78/1031820778.db2.gz IQZXNQVOEOHBOI-INIZCTEOSA-N 2 2 345.531 4.024 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000531967344 1031889828 /nfs/dbraw/zinc/88/98/28/1031889828.db2.gz AZEOWUCRKUVEHO-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000359895063 1031894229 /nfs/dbraw/zinc/89/42/29/1031894229.db2.gz GGPGCFSCNAORSW-GOEBONIOSA-N 2 2 339.439 4.175 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000359868168 1031895048 /nfs/dbraw/zinc/89/50/48/1031895048.db2.gz HHKUSUWNRXTYAQ-LJQANCHMSA-N 2 2 349.482 4.061 20 0 EIADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000359868168 1031895055 /nfs/dbraw/zinc/89/50/55/1031895055.db2.gz HHKUSUWNRXTYAQ-LJQANCHMSA-N 2 2 349.482 4.061 20 0 EIADLP c1coc([C@H]2[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC23CCC3)c1 ZINC000449640490 1031897028 /nfs/dbraw/zinc/89/70/28/1031897028.db2.gz SEKNEVVUOVOLTP-QGZVFWFLSA-N 2 2 325.437 4.254 20 0 EIADLP c1coc([C@H]2[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC23CCC3)c1 ZINC000449640490 1031897033 /nfs/dbraw/zinc/89/70/33/1031897033.db2.gz SEKNEVVUOVOLTP-QGZVFWFLSA-N 2 2 325.437 4.254 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000132268882 1031910116 /nfs/dbraw/zinc/91/01/16/1031910116.db2.gz IDHSMMNHHHSXRV-FQEVSTJZSA-N 2 2 337.442 4.354 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264529 1031968350 /nfs/dbraw/zinc/96/83/50/1031968350.db2.gz KHFFGSFDHNNAIT-MUKKUYKPSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001168264529 1031968357 /nfs/dbraw/zinc/96/83/57/1031968357.db2.gz KHFFGSFDHNNAIT-MUKKUYKPSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264529 1031968377 /nfs/dbraw/zinc/96/83/77/1031968377.db2.gz KHFFGSFDHNNAIT-MUKKUYKPSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001168264529 1031968384 /nfs/dbraw/zinc/96/83/84/1031968384.db2.gz KHFFGSFDHNNAIT-MUKKUYKPSA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264528 1031969093 /nfs/dbraw/zinc/96/90/93/1031969093.db2.gz KHFFGSFDHNNAIT-FRIZHTMISA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001168264528 1031969106 /nfs/dbraw/zinc/96/91/06/1031969106.db2.gz KHFFGSFDHNNAIT-FRIZHTMISA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001168264528 1031969117 /nfs/dbraw/zinc/96/91/17/1031969117.db2.gz KHFFGSFDHNNAIT-FRIZHTMISA-N 2 2 336.882 4.489 20 0 EIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001168264528 1031969133 /nfs/dbraw/zinc/96/91/33/1031969133.db2.gz KHFFGSFDHNNAIT-FRIZHTMISA-N 2 2 336.882 4.489 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000459372729 1031978638 /nfs/dbraw/zinc/97/86/38/1031978638.db2.gz ZPMJIVFGQMJYDK-ABAIWWIYSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Br)c2)CC[N@H+]1C ZINC000459372729 1031978664 /nfs/dbraw/zinc/97/86/64/1031978664.db2.gz ZPMJIVFGQMJYDK-ABAIWWIYSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372729 1031978675 /nfs/dbraw/zinc/97/86/75/1031978675.db2.gz ZPMJIVFGQMJYDK-ABAIWWIYSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC[NH+]1C ZINC000459372729 1031978682 /nfs/dbraw/zinc/97/86/82/1031978682.db2.gz ZPMJIVFGQMJYDK-ABAIWWIYSA-N 2 2 345.712 4.017 20 0 EIADLP CC(C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000449779276 1032002635 /nfs/dbraw/zinc/00/26/35/1032002635.db2.gz CYZGZAPZZNOEHB-UHFFFAOYSA-N 2 2 335.561 4.309 20 0 EIADLP CC(C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000449779276 1032002657 /nfs/dbraw/zinc/00/26/57/1032002657.db2.gz CYZGZAPZZNOEHB-UHFFFAOYSA-N 2 2 335.561 4.309 20 0 EIADLP CC(C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000449779276 1032002677 /nfs/dbraw/zinc/00/26/77/1032002677.db2.gz CYZGZAPZZNOEHB-UHFFFAOYSA-N 2 2 335.561 4.309 20 0 EIADLP CC(C)[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000449779276 1032002681 /nfs/dbraw/zinc/00/26/81/1032002681.db2.gz CYZGZAPZZNOEHB-UHFFFAOYSA-N 2 2 335.561 4.309 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000432925826 1033430500 /nfs/dbraw/zinc/43/05/00/1033430500.db2.gz UHRFZENUGOWASL-LLVKDONJSA-N 2 2 344.311 4.243 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000432925826 1033430507 /nfs/dbraw/zinc/43/05/07/1033430507.db2.gz UHRFZENUGOWASL-LLVKDONJSA-N 2 2 344.311 4.243 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)ccn2)c1C ZINC000152145636 1033588012 /nfs/dbraw/zinc/58/80/12/1033588012.db2.gz SWXPLBOPHUHNSL-APWZRJJASA-N 2 2 339.483 4.063 20 0 EIADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)c1C ZINC000152145636 1033588022 /nfs/dbraw/zinc/58/80/22/1033588022.db2.gz SWXPLBOPHUHNSL-APWZRJJASA-N 2 2 339.483 4.063 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC000052510350 1034607057 /nfs/dbraw/zinc/60/70/57/1034607057.db2.gz OVGOZRDFUZKTQM-UHFFFAOYSA-N 2 2 349.825 4.389 20 0 EIADLP Cc1nc([C@H](C)[N@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000420297297 1035495061 /nfs/dbraw/zinc/49/50/61/1035495061.db2.gz YMHSAACXJWKGRJ-ZDUSSCGKSA-N 2 2 335.879 4.281 20 0 EIADLP Cc1nc([C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000420297297 1035495068 /nfs/dbraw/zinc/49/50/68/1035495068.db2.gz YMHSAACXJWKGRJ-ZDUSSCGKSA-N 2 2 335.879 4.281 20 0 EIADLP FC(F)Sc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761116610 1035703697 /nfs/dbraw/zinc/70/36/97/1035703697.db2.gz DBYWWRZUZFUFKK-UHFFFAOYSA-N 2 2 349.450 4.473 20 0 EIADLP Fc1cc(Cl)cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000485683415 1036175895 /nfs/dbraw/zinc/17/58/95/1036175895.db2.gz IUPSTOVVEXISQA-UHFFFAOYSA-N 2 2 343.833 4.056 20 0 EIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421342509 1036285424 /nfs/dbraw/zinc/28/54/24/1036285424.db2.gz NVZGTDDEVTWNDI-KRWDZBQOSA-N 2 2 327.516 4.310 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827278 1036782978 /nfs/dbraw/zinc/78/29/78/1036782978.db2.gz XDDJVPSLXACHIE-GJZGRUSLSA-N 2 2 349.931 4.359 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1Cl ZINC000421827278 1036782998 /nfs/dbraw/zinc/78/29/98/1036782998.db2.gz XDDJVPSLXACHIE-GJZGRUSLSA-N 2 2 349.931 4.359 20 0 EIADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C(C)C)c(F)c1 ZINC000421828970 1036785045 /nfs/dbraw/zinc/78/50/45/1036785045.db2.gz GGUMZJWGRIFGAY-HNAYVOBHSA-N 2 2 345.462 4.204 20 0 EIADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[NH+]2CCCC2)cc1 ZINC000589647263 1036859334 /nfs/dbraw/zinc/85/93/34/1036859334.db2.gz QITZDNROKPIVPO-JOCHJYFZSA-N 2 2 333.479 4.403 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000590073773 1036952723 /nfs/dbraw/zinc/95/27/23/1036952723.db2.gz CJNVOEMRRZABMN-MRXNPFEDSA-N 2 2 329.513 4.288 20 0 EIADLP C[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272564276 1037225857 /nfs/dbraw/zinc/22/58/57/1037225857.db2.gz OBIVPHCKSLJNQX-OAHLLOKOSA-N 2 2 328.422 4.187 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000669714433 1037352530 /nfs/dbraw/zinc/35/25/30/1037352530.db2.gz PMJKKRGOKVFBEZ-KRWDZBQOSA-N 2 2 334.467 4.080 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000669714433 1037352549 /nfs/dbraw/zinc/35/25/49/1037352549.db2.gz PMJKKRGOKVFBEZ-KRWDZBQOSA-N 2 2 334.467 4.080 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000604415141 1037381648 /nfs/dbraw/zinc/38/16/48/1037381648.db2.gz XKDZCCPBCJWNLM-JKSUJKDBSA-N 2 2 328.431 4.111 20 0 EIADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000604415141 1037381667 /nfs/dbraw/zinc/38/16/67/1037381667.db2.gz XKDZCCPBCJWNLM-JKSUJKDBSA-N 2 2 328.431 4.111 20 0 EIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310204 1037635023 /nfs/dbraw/zinc/63/50/23/1037635023.db2.gz QLLIYAYUFKRJRM-RDTXWAMCSA-N 2 2 332.538 4.241 20 0 EIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310204 1037635045 /nfs/dbraw/zinc/63/50/45/1037635045.db2.gz QLLIYAYUFKRJRM-RDTXWAMCSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310204 1037635079 /nfs/dbraw/zinc/63/50/79/1037635079.db2.gz QLLIYAYUFKRJRM-RDTXWAMCSA-N 2 2 332.538 4.241 20 0 EIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000163310204 1037635112 /nfs/dbraw/zinc/63/51/12/1037635112.db2.gz QLLIYAYUFKRJRM-RDTXWAMCSA-N 2 2 332.538 4.241 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC000573892739 1037714756 /nfs/dbraw/zinc/71/47/56/1037714756.db2.gz IYJVDFIXAXELIV-FBBABVLZSA-N 2 2 336.479 4.071 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC000573892739 1037714773 /nfs/dbraw/zinc/71/47/73/1037714773.db2.gz IYJVDFIXAXELIV-FBBABVLZSA-N 2 2 336.479 4.071 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC000573892742 1037715964 /nfs/dbraw/zinc/71/59/64/1037715964.db2.gz IYJVDFIXAXELIV-SLYNCCJLSA-N 2 2 336.479 4.071 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC000573892742 1037715980 /nfs/dbraw/zinc/71/59/80/1037715980.db2.gz IYJVDFIXAXELIV-SLYNCCJLSA-N 2 2 336.479 4.071 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442034 1037769503 /nfs/dbraw/zinc/76/95/03/1037769503.db2.gz QBHOKMAMZSNGHW-RXVVDRJESA-N 2 2 349.522 4.204 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)n2c1CCCC2 ZINC000503442034 1037769521 /nfs/dbraw/zinc/76/95/21/1037769521.db2.gz QBHOKMAMZSNGHW-RXVVDRJESA-N 2 2 349.522 4.204 20 0 EIADLP CC(C)COc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000592464478 1037818275 /nfs/dbraw/zinc/81/82/75/1037818275.db2.gz USGXTVJOPKYJMU-UHFFFAOYSA-N 2 2 349.478 4.239 20 0 EIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC000422745043 1037821878 /nfs/dbraw/zinc/82/18/78/1037821878.db2.gz ULQQAESAYUWCMU-PKTZIBPZSA-N 3 2 349.522 4.153 20 0 EIADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422743159 1037822122 /nfs/dbraw/zinc/82/21/22/1037822122.db2.gz RAEQHQRRCWZGKK-BFQNTYOBSA-N 2 2 333.476 4.049 20 0 EIADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422786774 1037832612 /nfs/dbraw/zinc/83/26/12/1037832612.db2.gz QSVPLCHWMHAPOC-PJIJBLCYSA-N 2 2 332.875 4.153 20 0 EIADLP CC[C@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422854818 1037847423 /nfs/dbraw/zinc/84/74/23/1037847423.db2.gz DDCFCTWTPBYSHA-VXKWHMMOSA-N 2 2 338.495 4.024 20 0 EIADLP CCCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422866277 1037848333 /nfs/dbraw/zinc/84/83/33/1037848333.db2.gz QAESYJGRNKUTGJ-OALUTQOASA-N 2 2 340.467 4.109 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000423021335 1037906556 /nfs/dbraw/zinc/90/65/56/1037906556.db2.gz BSQOGMLTEZHZJL-FGTMMUONSA-N 2 2 328.843 4.288 20 0 EIADLP Cc1cc([C@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Cl)c2)c(C)s1 ZINC000423175679 1038029852 /nfs/dbraw/zinc/02/98/52/1038029852.db2.gz AQKQZESZDQJOHM-GOSISDBHSA-N 2 2 334.916 4.449 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423271887 1038102159 /nfs/dbraw/zinc/10/21/59/1038102159.db2.gz YHNMTLQVNVFZNO-YOEHRIQHSA-N 2 2 331.529 4.066 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423498537 1038253968 /nfs/dbraw/zinc/25/39/68/1038253968.db2.gz ICXZCHWNAVMPEN-KBXCAEBGSA-N 2 2 344.524 4.330 20 0 EIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171834 1038369168 /nfs/dbraw/zinc/36/91/68/1038369168.db2.gz ISDGUIRBPJWVAS-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000490171834 1038369170 /nfs/dbraw/zinc/36/91/70/1038369170.db2.gz ISDGUIRBPJWVAS-QRWLVFNGSA-N 2 2 346.877 4.500 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000173490584 1038373143 /nfs/dbraw/zinc/37/31/43/1038373143.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000173490584 1038373162 /nfs/dbraw/zinc/37/31/62/1038373162.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490584 1038373179 /nfs/dbraw/zinc/37/31/79/1038373179.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)CC[NH+]1Cc1ccccc1 ZINC000173490584 1038373192 /nfs/dbraw/zinc/37/31/92/1038373192.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490296164 1038458968 /nfs/dbraw/zinc/45/89/68/1038458968.db2.gz DAIDTGWHCNMIOH-CHWSQXEVSA-N 2 2 334.261 4.113 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OCCC(C)C)cc1)CCC2 ZINC000608067480 1038484795 /nfs/dbraw/zinc/48/47/95/1038484795.db2.gz DVJKVEHCDGSGHZ-IBGZPJMESA-N 2 2 341.499 4.284 20 0 EIADLP Cc1cc(C)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608075710 1038499235 /nfs/dbraw/zinc/49/92/35/1038499235.db2.gz WQUBFJFRBXMRLX-NRFANRHFSA-N 2 2 333.479 4.419 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncco1 ZINC000924682250 1038796962 /nfs/dbraw/zinc/79/69/62/1038796962.db2.gz AAGKCYKMMYMUAA-BBWFWOEESA-N 2 2 327.472 4.003 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncco1 ZINC000924682250 1038796985 /nfs/dbraw/zinc/79/69/85/1038796985.db2.gz AAGKCYKMMYMUAA-BBWFWOEESA-N 2 2 327.472 4.003 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CCCC2 ZINC000480756630 1038798243 /nfs/dbraw/zinc/79/82/43/1038798243.db2.gz KMCYJKAIYPWGKF-AWEZNQCLSA-N 2 2 329.513 4.053 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncco1 ZINC000924682284 1038800535 /nfs/dbraw/zinc/80/05/35/1038800535.db2.gz AAGKCYKMMYMUAA-IXDOHACOSA-N 2 2 327.472 4.003 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ncco1 ZINC000924682284 1038800538 /nfs/dbraw/zinc/80/05/38/1038800538.db2.gz AAGKCYKMMYMUAA-IXDOHACOSA-N 2 2 327.472 4.003 20 0 EIADLP CC(C)[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773026 1038808639 /nfs/dbraw/zinc/80/86/39/1038808639.db2.gz YHIWOJQMEXVRBW-FCHUYYIVSA-N 2 2 337.511 4.279 20 0 EIADLP CC(C)[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000480773026 1038808644 /nfs/dbraw/zinc/80/86/44/1038808644.db2.gz YHIWOJQMEXVRBW-FCHUYYIVSA-N 2 2 337.511 4.279 20 0 EIADLP Brc1ccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000537605122 1038811400 /nfs/dbraw/zinc/81/14/00/1038811400.db2.gz PVYJFPGJLWDXQO-UHFFFAOYSA-N 2 2 345.244 4.086 20 0 EIADLP Brc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000539164222 1038864947 /nfs/dbraw/zinc/86/49/47/1038864947.db2.gz QQANQSIQFQQATI-QGZVFWFLSA-N 2 2 348.288 4.167 20 0 EIADLP CC(C)(C[NH2+]Cc1ncc(-c2ccccc2)s1)C[NH+]1CCCC1 ZINC000480906532 1038874635 /nfs/dbraw/zinc/87/46/35/1038874635.db2.gz DTBJIGVYKSBKIE-UHFFFAOYSA-N 2 2 329.513 4.022 20 0 EIADLP CC[N@H+](C/C=C\c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618710 1038941986 /nfs/dbraw/zinc/94/19/86/1038941986.db2.gz IAMFOYZBSFKBHE-FLIBITNWSA-N 2 2 335.495 4.333 20 0 EIADLP CC[N@@H+](C/C=C\c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537618710 1038942013 /nfs/dbraw/zinc/94/20/13/1038942013.db2.gz IAMFOYZBSFKBHE-FLIBITNWSA-N 2 2 335.495 4.333 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000119951987 1039030740 /nfs/dbraw/zinc/03/07/40/1039030740.db2.gz UGSDSHYFMZZQCK-HNNXBMFYSA-N 2 2 330.422 4.280 20 0 EIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000534063860 1039060379 /nfs/dbraw/zinc/06/03/79/1039060379.db2.gz QJYMXHDVLDGUDI-FFGOWVMKSA-N 2 2 342.527 4.053 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071572 1039100177 /nfs/dbraw/zinc/10/01/77/1039100177.db2.gz PIUOXVGACWSHQS-RDJZCZTQSA-N 2 2 335.561 4.495 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071572 1039100216 /nfs/dbraw/zinc/10/02/16/1039100216.db2.gz PIUOXVGACWSHQS-RDJZCZTQSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071572 1039100240 /nfs/dbraw/zinc/10/02/40/1039100240.db2.gz PIUOXVGACWSHQS-RDJZCZTQSA-N 2 2 335.561 4.495 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)C[C@@H]1C ZINC000552071572 1039100275 /nfs/dbraw/zinc/10/02/75/1039100275.db2.gz PIUOXVGACWSHQS-RDJZCZTQSA-N 2 2 335.561 4.495 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+]1C ZINC000552071544 1039102922 /nfs/dbraw/zinc/10/29/22/1039102922.db2.gz NCIXWUOSDYUGET-ZBFHGGJFSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+]1C ZINC000552071544 1039102942 /nfs/dbraw/zinc/10/29/42/1039102942.db2.gz NCIXWUOSDYUGET-ZBFHGGJFSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071544 1039102966 /nfs/dbraw/zinc/10/29/66/1039102966.db2.gz NCIXWUOSDYUGET-ZBFHGGJFSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC[NH+]1C ZINC000552071544 1039103000 /nfs/dbraw/zinc/10/30/00/1039103000.db2.gz NCIXWUOSDYUGET-ZBFHGGJFSA-N 2 2 348.437 4.356 20 0 EIADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128589 1039143407 /nfs/dbraw/zinc/14/34/07/1039143407.db2.gz MREJQMBWOHQIGW-CQSZACIVSA-N 2 2 347.409 4.321 20 0 EIADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Br ZINC000534296666 1039313305 /nfs/dbraw/zinc/31/33/05/1039313305.db2.gz HZFNHIYQKABMFJ-AWEZNQCLSA-N 2 2 336.277 4.119 20 0 EIADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Br ZINC000534296666 1039313321 /nfs/dbraw/zinc/31/33/21/1039313321.db2.gz HZFNHIYQKABMFJ-AWEZNQCLSA-N 2 2 336.277 4.119 20 0 EIADLP C[N@H+](C[C@H]1CCCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000534348431 1039338278 /nfs/dbraw/zinc/33/82/78/1039338278.db2.gz YWYJBTVEEXTGOC-IBGZPJMESA-N 2 2 343.559 4.237 20 0 EIADLP C[N@@H+](C[C@H]1CCCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000534348431 1039338298 /nfs/dbraw/zinc/33/82/98/1039338298.db2.gz YWYJBTVEEXTGOC-IBGZPJMESA-N 2 2 343.559 4.237 20 0 EIADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000121369730 1039371157 /nfs/dbraw/zinc/37/11/57/1039371157.db2.gz WGEFCOIGQKFKLL-SFHVURJKSA-N 2 2 329.875 4.445 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000414844687 1039391952 /nfs/dbraw/zinc/39/19/52/1039391952.db2.gz LCYLRLAHUJDUKD-QGZVFWFLSA-N 2 2 340.496 4.051 20 0 EIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545551 1039607111 /nfs/dbraw/zinc/60/71/11/1039607111.db2.gz YVUZWWQAHSCYJJ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545551 1039607116 /nfs/dbraw/zinc/60/71/16/1039607116.db2.gz YVUZWWQAHSCYJJ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545551 1039607126 /nfs/dbraw/zinc/60/71/26/1039607126.db2.gz YVUZWWQAHSCYJJ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434545551 1039607132 /nfs/dbraw/zinc/60/71/32/1039607132.db2.gz YVUZWWQAHSCYJJ-OAHLLOKOSA-N 2 2 341.326 4.200 20 0 EIADLP Clc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000434678492 1039795912 /nfs/dbraw/zinc/79/59/12/1039795912.db2.gz HDUHBZVWUOQBLC-UHFFFAOYSA-N 2 2 335.904 4.314 20 0 EIADLP CC[NH+](CC)CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000514238707 1039802042 /nfs/dbraw/zinc/80/20/42/1039802042.db2.gz GNDXDKQMSQGTNW-HXUWFJFHSA-N 2 2 345.918 4.340 20 0 EIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000479212401 1040210193 /nfs/dbraw/zinc/21/01/93/1040210193.db2.gz FLJGYJNJYKFRRO-HXUWFJFHSA-N 2 2 337.854 4.362 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000479331210 1040275934 /nfs/dbraw/zinc/27/59/34/1040275934.db2.gz PDNYGZFRNJKCHN-BLLLJJGKSA-N 2 2 348.288 4.046 20 0 EIADLP CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479459986 1040366626 /nfs/dbraw/zinc/36/66/26/1040366626.db2.gz YQVHPBQEYONQFF-YLJYHZDGSA-N 2 2 342.531 4.016 20 0 EIADLP Cc1ncsc1C[N@@H+](Cc1ccc(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435447178 1040393822 /nfs/dbraw/zinc/39/38/22/1040393822.db2.gz FLEYAXWAFIFUOM-INIZCTEOSA-N 2 2 349.931 4.025 20 0 EIADLP Cc1ncsc1C[N@H+](Cc1ccc(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435447178 1040393830 /nfs/dbraw/zinc/39/38/30/1040393830.db2.gz FLEYAXWAFIFUOM-INIZCTEOSA-N 2 2 349.931 4.025 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497606 1040400457 /nfs/dbraw/zinc/40/04/57/1040400457.db2.gz ILIGGLLFGYPNPH-QRWLVFNGSA-N 2 2 348.450 4.148 20 0 EIADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497606 1040400468 /nfs/dbraw/zinc/40/04/68/1040400468.db2.gz ILIGGLLFGYPNPH-QRWLVFNGSA-N 2 2 348.450 4.148 20 0 EIADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000479524225 1040421130 /nfs/dbraw/zinc/42/11/30/1040421130.db2.gz HSEDVGUMJRAPHX-DQPZFDDXSA-N 2 2 338.442 4.346 20 0 EIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000482775928 1040480801 /nfs/dbraw/zinc/48/08/01/1040480801.db2.gz BYAFBCPJULRBPG-UHFFFAOYSA-N 2 2 336.907 4.045 20 0 EIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000482775928 1040480806 /nfs/dbraw/zinc/48/08/06/1040480806.db2.gz BYAFBCPJULRBPG-UHFFFAOYSA-N 2 2 336.907 4.045 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000482778023 1040483809 /nfs/dbraw/zinc/48/38/09/1040483809.db2.gz IYZPOEBHLVHEIV-KBXCAEBGSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000482778023 1040483824 /nfs/dbraw/zinc/48/38/24/1040483824.db2.gz IYZPOEBHLVHEIV-KBXCAEBGSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778023 1040483838 /nfs/dbraw/zinc/48/38/38/1040483838.db2.gz IYZPOEBHLVHEIV-KBXCAEBGSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778023 1040483850 /nfs/dbraw/zinc/48/38/50/1040483850.db2.gz IYZPOEBHLVHEIV-KBXCAEBGSA-N 2 2 336.907 4.043 20 0 EIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152820475 1040513306 /nfs/dbraw/zinc/51/33/06/1040513306.db2.gz QEJGMABFPTZNIP-INIZCTEOSA-N 2 2 347.915 4.242 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515200552 1040548675 /nfs/dbraw/zinc/54/86/75/1040548675.db2.gz OFYHEOPGTRHLEZ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000515200552 1040548695 /nfs/dbraw/zinc/54/86/95/1040548695.db2.gz OFYHEOPGTRHLEZ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000515200552 1040548713 /nfs/dbraw/zinc/54/87/13/1040548713.db2.gz OFYHEOPGTRHLEZ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP Cc1nsc(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000515200552 1040548736 /nfs/dbraw/zinc/54/87/36/1040548736.db2.gz OFYHEOPGTRHLEZ-DNVCBOLYSA-N 2 2 343.540 4.245 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000483140002 1040729776 /nfs/dbraw/zinc/72/97/76/1040729776.db2.gz GDNJDHVKKQZIQK-AWEZNQCLSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000483140003 1040731449 /nfs/dbraw/zinc/73/14/49/1040731449.db2.gz GDNJDHVKKQZIQK-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP C[N@H+](Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)CC(C)(C)C[NH3+] ZINC000629515156 1040807197 /nfs/dbraw/zinc/80/71/97/1040807197.db2.gz ZGNHMLKGZHQZJP-UHFFFAOYSA-N 2 2 342.270 4.065 20 0 EIADLP C[N@@H+](Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)CC(C)(C)C[NH3+] ZINC000629515156 1040807199 /nfs/dbraw/zinc/80/71/99/1040807199.db2.gz ZGNHMLKGZHQZJP-UHFFFAOYSA-N 2 2 342.270 4.065 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816805 1040809271 /nfs/dbraw/zinc/80/92/71/1040809271.db2.gz DIRFXEZYNUPJKL-IUODEOHRSA-N 2 2 345.314 4.307 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816805 1040809275 /nfs/dbraw/zinc/80/92/75/1040809275.db2.gz DIRFXEZYNUPJKL-IUODEOHRSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816805 1040809277 /nfs/dbraw/zinc/80/92/77/1040809277.db2.gz DIRFXEZYNUPJKL-IUODEOHRSA-N 2 2 345.314 4.307 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2OC)C[C@H]1C ZINC000539816805 1040809279 /nfs/dbraw/zinc/80/92/79/1040809279.db2.gz DIRFXEZYNUPJKL-IUODEOHRSA-N 2 2 345.314 4.307 20 0 EIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850500 1040840918 /nfs/dbraw/zinc/84/09/18/1040840918.db2.gz MUAAZTHMRRQRNE-HNNXBMFYSA-N 2 2 347.553 4.035 20 0 EIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850500 1040840920 /nfs/dbraw/zinc/84/09/20/1040840920.db2.gz MUAAZTHMRRQRNE-HNNXBMFYSA-N 2 2 347.553 4.035 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850500 1040840922 /nfs/dbraw/zinc/84/09/22/1040840922.db2.gz MUAAZTHMRRQRNE-HNNXBMFYSA-N 2 2 347.553 4.035 20 0 EIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000539850500 1040840924 /nfs/dbraw/zinc/84/09/24/1040840924.db2.gz MUAAZTHMRRQRNE-HNNXBMFYSA-N 2 2 347.553 4.035 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1C[C@H](C)Sc3sccc31)CCC2 ZINC000483432575 1040856736 /nfs/dbraw/zinc/85/67/36/1040856736.db2.gz JDTUDKMXKHTMEV-GUTXKFCHSA-N 2 2 333.526 4.346 20 0 EIADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000436054028 1040857513 /nfs/dbraw/zinc/85/75/13/1040857513.db2.gz PBUSANDYLHZGNS-CABCVRRESA-N 2 2 349.931 4.278 20 0 EIADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000436054028 1040857518 /nfs/dbraw/zinc/85/75/18/1040857518.db2.gz PBUSANDYLHZGNS-CABCVRRESA-N 2 2 349.931 4.278 20 0 EIADLP CCC(C)(C)C1CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000462744513 1040893544 /nfs/dbraw/zinc/89/35/44/1040893544.db2.gz MMWXVARHVUMYDO-UHFFFAOYSA-N 2 2 338.580 4.460 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000669851253 1040917637 /nfs/dbraw/zinc/91/76/37/1040917637.db2.gz ZGGLLVGPUCRKQV-HNNXBMFYSA-N 2 2 332.488 4.245 20 0 EIADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483629650 1040921993 /nfs/dbraw/zinc/92/19/93/1040921993.db2.gz VQEQXRYFACTKCJ-JKSUJKDBSA-N 2 2 339.414 4.130 20 0 EIADLP Cc1nc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000462805576 1040973158 /nfs/dbraw/zinc/97/31/58/1040973158.db2.gz HOSMQCCAFRQWFV-ASKKUZCQSA-N 2 2 343.540 4.259 20 0 EIADLP Cc1nc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000462805576 1040973185 /nfs/dbraw/zinc/97/31/85/1040973185.db2.gz HOSMQCCAFRQWFV-ASKKUZCQSA-N 2 2 343.540 4.259 20 0 EIADLP C[C@H]1CCCc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000462836829 1041017808 /nfs/dbraw/zinc/01/78/08/1041017808.db2.gz DNWZSONLJQVGCG-JTSKRJEESA-N 2 2 335.495 4.354 20 0 EIADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062193 1041034512 /nfs/dbraw/zinc/03/45/12/1041034512.db2.gz FXISDYJDKCVLEY-GJZGRUSLSA-N 2 2 348.922 4.142 20 0 EIADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000538062193 1041034525 /nfs/dbraw/zinc/03/45/25/1041034525.db2.gz FXISDYJDKCVLEY-GJZGRUSLSA-N 2 2 348.922 4.142 20 0 EIADLP c1cc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000668277249 1041053573 /nfs/dbraw/zinc/05/35/73/1041053573.db2.gz CGOFEQZGIPYNPE-NRFANRHFSA-N 2 2 342.446 4.161 20 0 EIADLP c1cc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000668277249 1041053589 /nfs/dbraw/zinc/05/35/89/1041053589.db2.gz CGOFEQZGIPYNPE-NRFANRHFSA-N 2 2 342.446 4.161 20 0 EIADLP Clc1cccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000436300868 1041071197 /nfs/dbraw/zinc/07/11/97/1041071197.db2.gz LITFAWFXNBLDCM-RUCARUNLSA-N 2 2 341.886 4.240 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1 ZINC000480201677 1041076222 /nfs/dbraw/zinc/07/62/22/1041076222.db2.gz QLCYOTKYFRJTLT-HZPDHXFCSA-N 2 2 331.891 4.296 20 0 EIADLP C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000480201677 1041076234 /nfs/dbraw/zinc/07/62/34/1041076234.db2.gz QLCYOTKYFRJTLT-HZPDHXFCSA-N 2 2 331.891 4.296 20 0 EIADLP CC[C@H]([NH2+]CC(CC)(CC)[NH2+][C@H](C)c1ccccc1)c1cnn(C)c1 ZINC000484128115 1041124153 /nfs/dbraw/zinc/12/41/53/1041124153.db2.gz IMAZNXRDVGWVJZ-XLIONFOSSA-N 2 2 342.531 4.370 20 0 EIADLP CC[C@@H]([NH2+]CC(CC)(CC)[NH2+][C@H](C)c1ccccc1)c1cnn(C)c1 ZINC000484128117 1041128241 /nfs/dbraw/zinc/12/82/41/1041128241.db2.gz IMAZNXRDVGWVJZ-YLJYHZDGSA-N 2 2 342.531 4.370 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000480251140 1041136922 /nfs/dbraw/zinc/13/69/22/1041136922.db2.gz SCSJLNVOOIAZKA-GOSISDBHSA-N 2 2 345.490 4.334 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2n1 ZINC000480251140 1041136928 /nfs/dbraw/zinc/13/69/28/1041136928.db2.gz SCSJLNVOOIAZKA-GOSISDBHSA-N 2 2 345.490 4.334 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000484150400 1041141244 /nfs/dbraw/zinc/14/12/44/1041141244.db2.gz CZXARNYNGDRMBL-RBUKOAKNSA-N 2 2 344.543 4.445 20 0 EIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCCCC1 ZINC000484150398 1041141365 /nfs/dbraw/zinc/14/13/65/1041141365.db2.gz CZXARNYNGDRMBL-MOPGFXCFSA-N 2 2 344.543 4.445 20 0 EIADLP CCCC[C@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540152697 1041202179 /nfs/dbraw/zinc/20/21/79/1041202179.db2.gz MMTZMZHCKYQMSD-UYAOXDASSA-N 2 2 329.488 4.036 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000484494385 1041300380 /nfs/dbraw/zinc/30/03/80/1041300380.db2.gz VXVXPKYDOSFCQZ-ABSDTBQOSA-N 2 2 326.484 4.403 20 0 EIADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000484494385 1041300402 /nfs/dbraw/zinc/30/04/02/1041300402.db2.gz VXVXPKYDOSFCQZ-ABSDTBQOSA-N 2 2 326.484 4.403 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000463138071 1041372829 /nfs/dbraw/zinc/37/28/29/1041372829.db2.gz OIMGXGBFFVYWHN-HNNXBMFYSA-N 2 2 332.488 4.245 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000463245264 1041451589 /nfs/dbraw/zinc/45/15/89/1041451589.db2.gz QXAAIFVKPUHPKU-GHTZIAJQSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000463245264 1041451591 /nfs/dbraw/zinc/45/15/91/1041451591.db2.gz QXAAIFVKPUHPKU-GHTZIAJQSA-N 2 2 349.522 4.103 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692197 1041475898 /nfs/dbraw/zinc/47/58/98/1041475898.db2.gz HKZIRYLZQHXVRK-RXVVDRJESA-N 2 2 341.543 4.408 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000480692197 1041475903 /nfs/dbraw/zinc/47/59/03/1041475903.db2.gz HKZIRYLZQHXVRK-RXVVDRJESA-N 2 2 341.543 4.408 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538717399 1041485366 /nfs/dbraw/zinc/48/53/66/1041485366.db2.gz YGULSDXUYVFHKO-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538717399 1041485372 /nfs/dbraw/zinc/48/53/72/1041485372.db2.gz YGULSDXUYVFHKO-INIZCTEOSA-N 2 2 333.545 4.109 20 0 EIADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000138355831 1041585165 /nfs/dbraw/zinc/58/51/65/1041585165.db2.gz AFAWXMWRSKOGEP-OAHLLOKOSA-N 2 2 338.442 4.299 20 0 EIADLP CCc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000540757545 1041643715 /nfs/dbraw/zinc/64/37/15/1041643715.db2.gz XNBBWCBQJJRVPW-ZBFHGGJFSA-N 2 2 344.528 4.019 20 0 EIADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC000540757469 1041643747 /nfs/dbraw/zinc/64/37/47/1041643747.db2.gz UZEXOCQKIHMVGB-PXNSSMCTSA-N 2 2 338.499 4.012 20 0 EIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccnc1 ZINC000366674372 1041836377 /nfs/dbraw/zinc/83/63/77/1041836377.db2.gz GSZBAEJCPGDOBA-IBGZPJMESA-N 2 2 329.513 4.239 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000464775440 1042158476 /nfs/dbraw/zinc/15/84/76/1042158476.db2.gz JHSOPFJUOVMLJO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000464775440 1042158478 /nfs/dbraw/zinc/15/84/78/1042158478.db2.gz JHSOPFJUOVMLJO-CABCVRRESA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000464775442 1042159138 /nfs/dbraw/zinc/15/91/38/1042159138.db2.gz JHSOPFJUOVMLJO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000464775442 1042159142 /nfs/dbraw/zinc/15/91/42/1042159142.db2.gz JHSOPFJUOVMLJO-HUUCEWRRSA-N 2 2 339.321 4.174 20 0 EIADLP CCc1ccc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464809268 1042173304 /nfs/dbraw/zinc/17/33/04/1042173304.db2.gz ZQDLBTTZICRHRJ-UHFFFAOYSA-N 2 2 337.511 4.383 20 0 EIADLP CCc1ccc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464809268 1042173314 /nfs/dbraw/zinc/17/33/14/1042173314.db2.gz ZQDLBTTZICRHRJ-UHFFFAOYSA-N 2 2 337.511 4.383 20 0 EIADLP CC[N@@H+](Cc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807434 1042180279 /nfs/dbraw/zinc/18/02/79/1042180279.db2.gz UIKOZYKMIRTRJO-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP CC[N@H+](Cc1cc(C)cc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807434 1042180282 /nfs/dbraw/zinc/18/02/82/1042180282.db2.gz UIKOZYKMIRTRJO-UHFFFAOYSA-N 2 2 337.511 4.437 20 0 EIADLP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834066 1042180687 /nfs/dbraw/zinc/18/06/87/1042180687.db2.gz FTAKVUVQIWIBGG-SFHVURJKSA-N 2 2 328.887 4.294 20 0 EIADLP C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464834066 1042180691 /nfs/dbraw/zinc/18/06/91/1042180691.db2.gz FTAKVUVQIWIBGG-SFHVURJKSA-N 2 2 328.887 4.294 20 0 EIADLP C[NH+](Cc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834066 1042180699 /nfs/dbraw/zinc/18/06/99/1042180699.db2.gz FTAKVUVQIWIBGG-SFHVURJKSA-N 2 2 328.887 4.294 20 0 EIADLP C[NH+](Cc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834066 1042180703 /nfs/dbraw/zinc/18/07/03/1042180703.db2.gz FTAKVUVQIWIBGG-SFHVURJKSA-N 2 2 328.887 4.294 20 0 EIADLP Cc1cc[nH+]c(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000541932062 1042184400 /nfs/dbraw/zinc/18/44/00/1042184400.db2.gz JFIKZAWQCUPEFN-UHFFFAOYSA-N 2 2 333.838 4.259 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844569 1042193990 /nfs/dbraw/zinc/19/39/90/1042193990.db2.gz IGEOVIRZCLZCJW-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844569 1042193993 /nfs/dbraw/zinc/19/39/93/1042193993.db2.gz IGEOVIRZCLZCJW-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844569 1042193995 /nfs/dbraw/zinc/19/39/95/1042193995.db2.gz IGEOVIRZCLZCJW-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844569 1042193999 /nfs/dbraw/zinc/19/39/99/1042193999.db2.gz IGEOVIRZCLZCJW-WMZOPIPTSA-N 2 2 344.449 4.480 20 0 EIADLP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542010147 1042230655 /nfs/dbraw/zinc/23/06/55/1042230655.db2.gz WMJKEUYSTCWBAB-MRXNPFEDSA-N 2 2 339.414 4.131 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000506358318 1042347909 /nfs/dbraw/zinc/34/79/09/1042347909.db2.gz XRECNECICKOQBD-UHFFFAOYSA-N 2 2 332.385 4.149 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000506358318 1042347913 /nfs/dbraw/zinc/34/79/13/1042347913.db2.gz XRECNECICKOQBD-UHFFFAOYSA-N 2 2 332.385 4.149 20 0 EIADLP Oc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000328260732 1042457789 /nfs/dbraw/zinc/45/77/89/1042457789.db2.gz VARRFAXTIIVRMZ-KRWDZBQOSA-N 2 2 344.886 4.047 20 0 EIADLP Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000328260732 1042457791 /nfs/dbraw/zinc/45/77/91/1042457791.db2.gz VARRFAXTIIVRMZ-KRWDZBQOSA-N 2 2 344.886 4.047 20 0 EIADLP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000491578876 1042475349 /nfs/dbraw/zinc/47/53/49/1042475349.db2.gz KWHMNHLLXDLKTF-UHFFFAOYSA-N 2 2 338.470 4.457 20 0 EIADLP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000439260424 1042563644 /nfs/dbraw/zinc/56/36/44/1042563644.db2.gz PJQNWXIQGPKMSA-JOCHJYFZSA-N 2 2 349.478 4.036 20 0 EIADLP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000439260424 1042563649 /nfs/dbraw/zinc/56/36/49/1042563649.db2.gz PJQNWXIQGPKMSA-JOCHJYFZSA-N 2 2 349.478 4.036 20 0 EIADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000237182382 1042874653 /nfs/dbraw/zinc/87/46/53/1042874653.db2.gz BKFURRCDALGCFC-INIZCTEOSA-N 2 2 342.458 4.150 20 0 EIADLP CCCc1csc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000494187035 1043027410 /nfs/dbraw/zinc/02/74/10/1043027410.db2.gz XRHIQKJULQWQKX-AEFFLSMTSA-N 2 2 343.540 4.096 20 0 EIADLP CCCc1csc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000494187035 1043027414 /nfs/dbraw/zinc/02/74/14/1043027414.db2.gz XRHIQKJULQWQKX-AEFFLSMTSA-N 2 2 343.540 4.096 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809879 1043042171 /nfs/dbraw/zinc/04/21/71/1043042171.db2.gz AMADFQBSMHULST-DLBZAZTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809879 1043042180 /nfs/dbraw/zinc/04/21/80/1043042180.db2.gz AMADFQBSMHULST-DLBZAZTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809879 1043042183 /nfs/dbraw/zinc/04/21/83/1043042183.db2.gz AMADFQBSMHULST-DLBZAZTESA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809879 1043042192 /nfs/dbraw/zinc/04/21/92/1043042192.db2.gz AMADFQBSMHULST-DLBZAZTESA-N 2 2 328.456 4.377 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991124 1043092302 /nfs/dbraw/zinc/09/23/02/1043092302.db2.gz CSLXOZKHQXOAAI-HZPDHXFCSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991124 1043092317 /nfs/dbraw/zinc/09/23/17/1043092317.db2.gz CSLXOZKHQXOAAI-HZPDHXFCSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991124 1043092331 /nfs/dbraw/zinc/09/23/31/1043092331.db2.gz CSLXOZKHQXOAAI-HZPDHXFCSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991124 1043092353 /nfs/dbraw/zinc/09/23/53/1043092353.db2.gz CSLXOZKHQXOAAI-HZPDHXFCSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009856 1043120786 /nfs/dbraw/zinc/12/07/86/1043120786.db2.gz IIKJYHQXPMDESM-CWPLJXCYSA-N 2 2 344.449 4.496 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009856 1043120797 /nfs/dbraw/zinc/12/07/97/1043120797.db2.gz IIKJYHQXPMDESM-CWPLJXCYSA-N 2 2 344.449 4.496 20 0 EIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Oc2ccccc2)cc1 ZINC000427838966 1043233519 /nfs/dbraw/zinc/23/35/19/1043233519.db2.gz CSIOYQKCFPDZLJ-AEFFLSMTSA-N 2 2 333.435 4.341 20 0 EIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCc2ccccc2)cc1 ZINC000427861396 1043236890 /nfs/dbraw/zinc/23/68/90/1043236890.db2.gz SSRPSGKVXAPIDF-PXNSSMCTSA-N 2 2 347.462 4.128 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OCc1ccccc1 ZINC000427868022 1043240895 /nfs/dbraw/zinc/24/08/95/1043240895.db2.gz PWFKAAOTKCHARY-PKOBYXMFSA-N 2 2 347.462 4.128 20 0 EIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427872871 1043243266 /nfs/dbraw/zinc/24/32/66/1043243266.db2.gz JZUAKRWXMDANDQ-SJLPKXTDSA-N 2 2 327.472 4.118 20 0 EIADLP Cc1ccc(C)c([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427880359 1043246263 /nfs/dbraw/zinc/24/62/63/1043246263.db2.gz FFWWPHARDSUHMC-UGKGYDQZSA-N 2 2 331.463 4.194 20 0 EIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427880358 1043247329 /nfs/dbraw/zinc/24/73/29/1043247329.db2.gz FFWWPHARDSUHMC-SIKLNZKXSA-N 2 2 331.463 4.194 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(ccc3ccccc23)o1 ZINC000427884388 1043248645 /nfs/dbraw/zinc/24/86/45/1043248645.db2.gz FYGKKJHYGPAQMQ-GDBMZVCRSA-N 2 2 331.419 4.448 20 0 EIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427887928 1043251413 /nfs/dbraw/zinc/25/14/13/1043251413.db2.gz RNNGHELFVGHIIR-SUMWQHHRSA-N 2 2 338.282 4.492 20 0 EIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427887926 1043251628 /nfs/dbraw/zinc/25/16/28/1043251628.db2.gz RNNGHELFVGHIIR-GUYCJALGSA-N 2 2 338.282 4.492 20 0 EIADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2cc(OC)ccc2c1 ZINC000427895176 1043254750 /nfs/dbraw/zinc/25/47/50/1043254750.db2.gz SCEBPNHOORWUET-ICSRJNTNSA-N 2 2 335.451 4.101 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000428047506 1043306902 /nfs/dbraw/zinc/30/69/02/1043306902.db2.gz YVYGBMIZZSKGNX-MJGOQNOKSA-N 2 2 341.524 4.117 20 0 EIADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000428047506 1043306912 /nfs/dbraw/zinc/30/69/12/1043306912.db2.gz YVYGBMIZZSKGNX-MJGOQNOKSA-N 2 2 341.524 4.117 20 0 EIADLP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347878959 1043314783 /nfs/dbraw/zinc/31/47/83/1043314783.db2.gz MLMIBXWMHXUOCG-SFHVURJKSA-N 2 2 329.513 4.240 20 0 EIADLP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347878959 1043314792 /nfs/dbraw/zinc/31/47/92/1043314792.db2.gz MLMIBXWMHXUOCG-SFHVURJKSA-N 2 2 329.513 4.240 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2sccc2C)cc1F ZINC000665259230 1043385161 /nfs/dbraw/zinc/38/51/61/1043385161.db2.gz YZGKDOFNQLNTRO-QRTARXTBSA-N 2 2 348.487 4.001 20 0 EIADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2csc(C)c2)cc1F ZINC000665259382 1043390832 /nfs/dbraw/zinc/39/08/32/1043390832.db2.gz DJPGWKQECVWJJP-OWQGQXMQSA-N 2 2 348.487 4.001 20 0 EIADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC23CCCC3)CCOCC1)c1ccccc1 ZINC000189130620 1043441405 /nfs/dbraw/zinc/44/14/05/1043441405.db2.gz BUDPSHFPDOHLCB-AZUAARDMSA-N 2 2 342.527 4.199 20 0 EIADLP CCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242692 1043461516 /nfs/dbraw/zinc/46/15/16/1043461516.db2.gz WEBWELBOWQSTNO-VQIMIIECSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242692 1043461518 /nfs/dbraw/zinc/46/15/18/1043461518.db2.gz WEBWELBOWQSTNO-VQIMIIECSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242692 1043461522 /nfs/dbraw/zinc/46/15/22/1043461522.db2.gz WEBWELBOWQSTNO-VQIMIIECSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428242692 1043461526 /nfs/dbraw/zinc/46/15/26/1043461526.db2.gz WEBWELBOWQSTNO-VQIMIIECSA-N 2 2 341.499 4.030 20 0 EIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000494402368 1043465468 /nfs/dbraw/zinc/46/54/68/1043465468.db2.gz DOPITOHMDLZYFE-OAQYLSRUSA-N 2 2 331.463 4.272 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000895151560 1043510738 /nfs/dbraw/zinc/51/07/38/1043510738.db2.gz LTGMIRWWVBETLE-PBHICJAKSA-N 2 2 347.915 4.254 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000895151560 1043510751 /nfs/dbraw/zinc/51/07/51/1043510751.db2.gz LTGMIRWWVBETLE-PBHICJAKSA-N 2 2 347.915 4.254 20 0 EIADLP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338796981 1043511034 /nfs/dbraw/zinc/51/10/34/1043511034.db2.gz WOACEQYOMIESBA-MHORFTMASA-N 2 2 327.472 4.117 20 0 EIADLP Clc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665279542 1043643249 /nfs/dbraw/zinc/64/32/49/1043643249.db2.gz FVEUXVWYLBQFAB-CRPOECCBSA-N 2 2 332.900 4.027 20 0 EIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000521318443 1043707637 /nfs/dbraw/zinc/70/76/37/1043707637.db2.gz ZRXHJFNPBDQXDO-REWPJTCUSA-N 2 2 345.490 4.432 20 0 EIADLP c1ccc([C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[NH+]2CCCC2)cc1 ZINC000442643573 1043792218 /nfs/dbraw/zinc/79/22/18/1043792218.db2.gz GLTTWJFPTYCPKN-MBSDFSHPSA-N 2 2 345.490 4.062 20 0 EIADLP COc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073195 1043805894 /nfs/dbraw/zinc/80/58/94/1043805894.db2.gz VKJCUXPJNGGWAH-AEFFLSMTSA-N 2 2 327.472 4.215 20 0 EIADLP COc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)cc1C ZINC000682073195 1043805895 /nfs/dbraw/zinc/80/58/95/1043805895.db2.gz VKJCUXPJNGGWAH-AEFFLSMTSA-N 2 2 327.472 4.215 20 0 EIADLP c1ccc(N2CCC([NH2+]C(C3CCCC3)C3CCCC3)CC2)[nH+]c1 ZINC000766066569 1043860498 /nfs/dbraw/zinc/86/04/98/1043860498.db2.gz UFQLIGOAXDJWJQ-UHFFFAOYSA-N 2 2 327.516 4.389 20 0 EIADLP C[C@@H]1CC([NH2+][C@@H]2CCc3cccnc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014469 1043862357 /nfs/dbraw/zinc/86/23/57/1043862357.db2.gz LLTMUZOALPUHBJ-CBGDNZLLSA-N 2 2 335.495 4.100 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207487 1044133945 /nfs/dbraw/zinc/13/39/45/1044133945.db2.gz CPKBTSFMRYJWFG-KSSFIOAISA-N 2 2 327.859 4.156 20 0 EIADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)CC2 ZINC000543207487 1044133971 /nfs/dbraw/zinc/13/39/71/1044133971.db2.gz CPKBTSFMRYJWFG-KSSFIOAISA-N 2 2 327.859 4.156 20 0 EIADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COCc4ccccc43)CC[N@H+]2C2CC2)cc1 ZINC000639271654 1044252387 /nfs/dbraw/zinc/25/23/87/1044252387.db2.gz PBBXWXVAYKQPAY-OIBXWCBGSA-N 2 2 348.490 4.216 20 0 EIADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COCc4ccccc43)CC[N@@H+]2C2CC2)cc1 ZINC000639271654 1044252403 /nfs/dbraw/zinc/25/24/03/1044252403.db2.gz PBBXWXVAYKQPAY-OIBXWCBGSA-N 2 2 348.490 4.216 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000348008054 1044360478 /nfs/dbraw/zinc/36/04/78/1044360478.db2.gz OESZMOOTNXPZQK-OXQOHEQNSA-N 3 2 342.531 4.198 20 0 EIADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192375 1044401222 /nfs/dbraw/zinc/40/12/22/1044401222.db2.gz UDVXQKHKDWRSFR-HXOBKFHXSA-N 2 2 349.522 4.245 20 0 EIADLP Cc1ccsc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919790 1044560284 /nfs/dbraw/zinc/56/02/84/1044560284.db2.gz JEOKUTNAGNHKDN-NVXWUHKLSA-N 2 2 325.481 4.425 20 0 EIADLP CCOc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675919245 1044561417 /nfs/dbraw/zinc/56/14/17/1044561417.db2.gz LPYHKKNHANNYJU-DYESRHJHSA-N 2 2 349.478 4.453 20 0 EIADLP CC[C@@H](Cc1cccs1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922196 1044562539 /nfs/dbraw/zinc/56/25/39/1044562539.db2.gz NYAAIYYGHKWNHZ-PKOBYXMFSA-N 2 2 339.508 4.376 20 0 EIADLP C[C@@H](CCc1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675921131 1044564399 /nfs/dbraw/zinc/56/43/99/1044564399.db2.gz VXDQEXYEIVDSQX-GHTZIAJQSA-N 2 2 333.479 4.315 20 0 EIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000675922946 1044565101 /nfs/dbraw/zinc/56/51/01/1044565101.db2.gz QTBAIJCRLOKDIP-LVCYWYKZSA-N 2 2 333.479 4.486 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2noc3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025346 1044657402 /nfs/dbraw/zinc/65/74/02/1044657402.db2.gz JQMCEFRNMRYATC-IZZQQSIFSA-N 2 2 349.478 4.359 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]Cc2noc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025346 1044657413 /nfs/dbraw/zinc/65/74/13/1044657413.db2.gz JQMCEFRNMRYATC-IZZQQSIFSA-N 2 2 349.478 4.359 20 0 EIADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203157 1044788494 /nfs/dbraw/zinc/78/84/94/1044788494.db2.gz UVQRITFALGIGBB-RDTXWAMCSA-N 2 2 330.859 4.126 20 0 EIADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203157 1044788518 /nfs/dbraw/zinc/78/85/18/1044788518.db2.gz UVQRITFALGIGBB-RDTXWAMCSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203157 1044788543 /nfs/dbraw/zinc/78/85/43/1044788543.db2.gz UVQRITFALGIGBB-RDTXWAMCSA-N 2 2 330.859 4.126 20 0 EIADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@@H]2C1 ZINC000495203157 1044788554 /nfs/dbraw/zinc/78/85/54/1044788554.db2.gz UVQRITFALGIGBB-RDTXWAMCSA-N 2 2 330.859 4.126 20 0 EIADLP Clc1ccc(SCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000302612481 1044898131 /nfs/dbraw/zinc/89/81/31/1044898131.db2.gz QJLIXRRGKNWBDC-UHFFFAOYSA-N 2 2 343.883 4.408 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154891 1044926822 /nfs/dbraw/zinc/92/68/22/1044926822.db2.gz YMXVZAHVKPFQDS-MQGJPIDWSA-N 2 2 345.490 4.486 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912148 1044978285 /nfs/dbraw/zinc/97/82/85/1044978285.db2.gz DJYSTDCUTCZZFI-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000347912148 1044978293 /nfs/dbraw/zinc/97/82/93/1044978293.db2.gz DJYSTDCUTCZZFI-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000347912148 1044978311 /nfs/dbraw/zinc/97/83/11/1044978311.db2.gz DJYSTDCUTCZZFI-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000347912148 1044978323 /nfs/dbraw/zinc/97/83/23/1044978323.db2.gz DJYSTDCUTCZZFI-JTHBVZDNSA-N 2 2 349.522 4.131 20 0 EIADLP S=c1oc2cc(Cl)ccc2n1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738150716 1045039895 /nfs/dbraw/zinc/03/98/95/1045039895.db2.gz XTVYFYHZQUNBFK-CYBMUJFWSA-N 2 2 348.859 4.108 20 0 EIADLP S=c1oc2cc(Cl)ccc2n1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738150716 1045039911 /nfs/dbraw/zinc/03/99/11/1045039911.db2.gz XTVYFYHZQUNBFK-CYBMUJFWSA-N 2 2 348.859 4.108 20 0 EIADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361497127 1045074906 /nfs/dbraw/zinc/07/49/06/1045074906.db2.gz OIQDGSROGJAADK-SFHVURJKSA-N 2 2 339.439 4.338 20 0 EIADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431041 1045131459 /nfs/dbraw/zinc/13/14/59/1045131459.db2.gz MLPQBICDFGCODU-FPOVZHCZSA-N 2 2 330.516 4.002 20 0 EIADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431041 1045131469 /nfs/dbraw/zinc/13/14/69/1045131469.db2.gz MLPQBICDFGCODU-FPOVZHCZSA-N 2 2 330.516 4.002 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000347922382 1045142384 /nfs/dbraw/zinc/14/23/84/1045142384.db2.gz OEEUACKJDZNJQA-BZSNNMDCSA-N 2 2 340.515 4.094 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(Cl)c1Cl ZINC000762419477 1045226565 /nfs/dbraw/zinc/22/65/65/1045226565.db2.gz CIMLJOPWXIJPMX-LLVKDONJSA-N 2 2 332.300 4.456 20 0 EIADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237201759 1045377702 /nfs/dbraw/zinc/37/77/02/1045377702.db2.gz QHRGMGXVQSTRPP-WIYYLYMNSA-N 2 2 338.495 4.053 20 0 EIADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237255334 1045379982 /nfs/dbraw/zinc/37/99/82/1045379982.db2.gz QHRGMGXVQSTRPP-GHTZIAJQSA-N 2 2 338.495 4.053 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccnc2Cl)cc1F ZINC000153706035 1045454909 /nfs/dbraw/zinc/45/49/09/1045454909.db2.gz NJXFUMRXQJMCNV-GFCCVEGCSA-N 2 2 344.821 4.219 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)c(Cl)cc1Cl ZINC000322394965 1045479843 /nfs/dbraw/zinc/47/98/43/1045479843.db2.gz RRAVUPWRBZEAQA-YEJSDXFRSA-N 2 2 331.262 4.408 20 0 EIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)c(Cl)cc1Cl ZINC000322394965 1045479851 /nfs/dbraw/zinc/47/98/51/1045479851.db2.gz RRAVUPWRBZEAQA-YEJSDXFRSA-N 2 2 331.262 4.408 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246940228 1045835796 /nfs/dbraw/zinc/83/57/96/1045835796.db2.gz HPFMFWRVPFTBKV-XQBPLPMBSA-N 2 2 337.511 4.075 20 0 EIADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000246940228 1045835797 /nfs/dbraw/zinc/83/57/97/1045835797.db2.gz HPFMFWRVPFTBKV-XQBPLPMBSA-N 2 2 337.511 4.075 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000247038156 1045838557 /nfs/dbraw/zinc/83/85/57/1045838557.db2.gz UZEODCRMBCACGD-SXSPYAJSSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCC2 ZINC000247038156 1045838558 /nfs/dbraw/zinc/83/85/58/1045838558.db2.gz UZEODCRMBCACGD-SXSPYAJSSA-N 2 2 349.522 4.268 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247139703 1045842841 /nfs/dbraw/zinc/84/28/41/1045842841.db2.gz SDYCSVZHSXZQRF-HFTRVMKXSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000247139703 1045842844 /nfs/dbraw/zinc/84/28/44/1045842844.db2.gz SDYCSVZHSXZQRF-HFTRVMKXSA-N 2 2 329.513 4.013 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247201882 1045842989 /nfs/dbraw/zinc/84/29/89/1045842989.db2.gz WIKYXDQVCGRQDY-RBUKOAKNSA-N 3 2 340.515 4.035 20 0 EIADLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247201882 1045842991 /nfs/dbraw/zinc/84/29/91/1045842991.db2.gz WIKYXDQVCGRQDY-RBUKOAKNSA-N 3 2 340.515 4.035 20 0 EIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000248424745 1045871850 /nfs/dbraw/zinc/87/18/50/1045871850.db2.gz IQTGSFQRXCQUCO-WAOWUJCRSA-N 2 2 327.516 4.189 20 0 EIADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000769870639 1046100566 /nfs/dbraw/zinc/10/05/66/1046100566.db2.gz BEIFSFCXPWJEGU-GFCCVEGCSA-N 2 2 342.418 4.029 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000162058991 1046118885 /nfs/dbraw/zinc/11/88/85/1046118885.db2.gz OIJARRVZJYUPQN-QIJUGHKUSA-N 2 2 338.495 4.017 20 0 EIADLP C[C@@H]1C[C@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000162058991 1046118893 /nfs/dbraw/zinc/11/88/93/1046118893.db2.gz OIJARRVZJYUPQN-QIJUGHKUSA-N 2 2 338.495 4.017 20 0 EIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000162361562 1046190159 /nfs/dbraw/zinc/19/01/59/1046190159.db2.gz IXFOUNXKWDCACA-KBPBESRZSA-N 2 2 326.469 4.357 20 0 EIADLP Cc1[nH+]cc(CNc2ccc(C[NH+]3CCCC3)cc2)n1-c1ccccc1 ZINC000770484347 1046214766 /nfs/dbraw/zinc/21/47/66/1046214766.db2.gz GVIQTUMWBVBHDN-UHFFFAOYSA-N 2 2 346.478 4.389 20 0 EIADLP CCc1noc(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119981 1046325970 /nfs/dbraw/zinc/32/59/70/1046325970.db2.gz FRIAGKUGWVWTMP-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119981 1046325977 /nfs/dbraw/zinc/32/59/77/1046325977.db2.gz FRIAGKUGWVWTMP-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119981 1046325984 /nfs/dbraw/zinc/32/59/84/1046325984.db2.gz FRIAGKUGWVWTMP-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CCc1noc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268119981 1046325992 /nfs/dbraw/zinc/32/59/92/1046325992.db2.gz FRIAGKUGWVWTMP-QFBILLFUSA-N 2 2 341.499 4.030 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659509 1046609361 /nfs/dbraw/zinc/60/93/61/1046609361.db2.gz JRKWIGVBDIPQSL-WBMJQRKESA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659509 1046609377 /nfs/dbraw/zinc/60/93/77/1046609377.db2.gz JRKWIGVBDIPQSL-WBMJQRKESA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659509 1046609390 /nfs/dbraw/zinc/60/93/90/1046609390.db2.gz JRKWIGVBDIPQSL-WBMJQRKESA-N 2 2 332.385 4.149 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000536659509 1046609403 /nfs/dbraw/zinc/60/94/03/1046609403.db2.gz JRKWIGVBDIPQSL-WBMJQRKESA-N 2 2 332.385 4.149 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660615 1046623828 /nfs/dbraw/zinc/62/38/28/1046623828.db2.gz DUIXFDQMKJFQFW-DOMZBBRYSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660615 1046623832 /nfs/dbraw/zinc/62/38/32/1046623832.db2.gz DUIXFDQMKJFQFW-DOMZBBRYSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660615 1046623837 /nfs/dbraw/zinc/62/38/37/1046623837.db2.gz DUIXFDQMKJFQFW-DOMZBBRYSA-N 2 2 346.849 4.246 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)C[C@H]1C ZINC000536660615 1046623844 /nfs/dbraw/zinc/62/38/44/1046623844.db2.gz DUIXFDQMKJFQFW-DOMZBBRYSA-N 2 2 346.849 4.246 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658960 1046624682 /nfs/dbraw/zinc/62/46/82/1046624682.db2.gz WYTMBNIQZPCRSL-IUODEOHRSA-N 2 2 346.849 4.104 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658960 1046624686 /nfs/dbraw/zinc/62/46/86/1046624686.db2.gz WYTMBNIQZPCRSL-IUODEOHRSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658960 1046624692 /nfs/dbraw/zinc/62/46/92/1046624692.db2.gz WYTMBNIQZPCRSL-IUODEOHRSA-N 2 2 346.849 4.104 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000536658960 1046624699 /nfs/dbraw/zinc/62/46/99/1046624699.db2.gz WYTMBNIQZPCRSL-IUODEOHRSA-N 2 2 346.849 4.104 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379624356 1046714615 /nfs/dbraw/zinc/71/46/15/1046714615.db2.gz JPDRXTPSILBZSN-DNVCBOLYSA-N 2 2 330.422 4.108 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379624356 1046714630 /nfs/dbraw/zinc/71/46/30/1046714630.db2.gz JPDRXTPSILBZSN-DNVCBOLYSA-N 2 2 330.422 4.108 20 0 EIADLP Cc1[nH+]cc(CNc2ccc(C[NH+](C)C)c(C)c2)n1-c1ccccc1 ZINC000459735241 1046868434 /nfs/dbraw/zinc/86/84/34/1046868434.db2.gz DRASXZJCPZRRHW-UHFFFAOYSA-N 2 2 334.467 4.163 20 0 EIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000537297064 1047079528 /nfs/dbraw/zinc/07/95/28/1047079528.db2.gz NFKANLDUZYKFNR-OAHLLOKOSA-N 2 2 337.467 4.421 20 0 EIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(Cl)c1 ZINC000537456592 1047255003 /nfs/dbraw/zinc/25/50/03/1047255003.db2.gz UYROIPQFIWCURO-KBXCAEBGSA-N 2 2 344.890 4.048 20 0 EIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000129659910 1047458556 /nfs/dbraw/zinc/45/85/56/1047458556.db2.gz GDZWZSQJDGLODY-RDJZCZTQSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000129659910 1047458562 /nfs/dbraw/zinc/45/85/62/1047458562.db2.gz GDZWZSQJDGLODY-RDJZCZTQSA-N 2 2 338.480 4.090 20 0 EIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000045106266 1047680366 /nfs/dbraw/zinc/68/03/66/1047680366.db2.gz GTDISOUPWNDZQA-LLVKDONJSA-N 2 2 330.234 4.460 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000130466268 1047712748 /nfs/dbraw/zinc/71/27/48/1047712748.db2.gz SLBLEGNCCVZYCP-FCHUYYIVSA-N 2 2 331.463 4.357 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143683719 1048142104 /nfs/dbraw/zinc/14/21/04/1048142104.db2.gz OHGSULQHCXTPPY-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP Cc1ccc(C(F)(F)F)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143683719 1048142113 /nfs/dbraw/zinc/14/21/13/1048142113.db2.gz OHGSULQHCXTPPY-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP COc1ccc2c(cc[nH+]c2Nc2ccc(C[NH3+])cc2C(F)(F)F)c1 ZINC001160417601 1048184746 /nfs/dbraw/zinc/18/47/46/1048184746.db2.gz JJBJKLCZTZHIFF-UHFFFAOYSA-N 2 2 347.340 4.465 20 0 EIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccs1 ZINC000132173466 1048216056 /nfs/dbraw/zinc/21/60/56/1048216056.db2.gz RZAAKSAJGKGSLR-KRWDZBQOSA-N 2 2 325.481 4.276 20 0 EIADLP Cc1ccsc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132178666 1048219053 /nfs/dbraw/zinc/21/90/53/1048219053.db2.gz STVQFESICVZWCX-INIZCTEOSA-N 2 2 325.481 4.195 20 0 EIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143863369 1048237571 /nfs/dbraw/zinc/23/75/71/1048237571.db2.gz GWRUZTBYVZCNAH-UHFFFAOYSA-N 2 2 342.886 4.184 20 0 EIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143863369 1048237588 /nfs/dbraw/zinc/23/75/88/1048237588.db2.gz GWRUZTBYVZCNAH-UHFFFAOYSA-N 2 2 342.886 4.184 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)cn1 ZINC000815561714 1048510772 /nfs/dbraw/zinc/51/07/72/1048510772.db2.gz NZRQNUMGLVWKEP-HNNXBMFYSA-N 2 2 332.451 4.304 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000809738787 1048512468 /nfs/dbraw/zinc/51/24/68/1048512468.db2.gz JULVBAOZGDKYHF-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(-c3ccco3)n2)cc1 ZINC000809738787 1048512481 /nfs/dbraw/zinc/51/24/81/1048512481.db2.gz JULVBAOZGDKYHF-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cnc3ccccc3c2)CC1 ZINC000809766688 1048524516 /nfs/dbraw/zinc/52/45/16/1048524516.db2.gz SOPBXVCVSGOBDO-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cnc3ccccc3c2)CC1 ZINC000809766688 1048524527 /nfs/dbraw/zinc/52/45/27/1048524527.db2.gz SOPBXVCVSGOBDO-UHFFFAOYSA-N 2 2 345.490 4.331 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815649921 1048573852 /nfs/dbraw/zinc/57/38/52/1048573852.db2.gz CGCKFFSCCZHANO-GOEBONIOSA-N 2 2 348.412 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815649921 1048573860 /nfs/dbraw/zinc/57/38/60/1048573860.db2.gz CGCKFFSCCZHANO-GOEBONIOSA-N 2 2 348.412 4.104 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001144326477 1048599538 /nfs/dbraw/zinc/59/95/38/1048599538.db2.gz BKRMUNRDHQXRTK-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001144326477 1048599553 /nfs/dbraw/zinc/59/95/53/1048599553.db2.gz BKRMUNRDHQXRTK-UHFFFAOYSA-N 2 2 340.486 4.485 20 0 EIADLP CCCCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170601266 1048726848 /nfs/dbraw/zinc/72/68/48/1048726848.db2.gz YHOKHJKZCUYDEK-SVFBPWRDSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170601266 1048726865 /nfs/dbraw/zinc/72/68/65/1048726865.db2.gz YHOKHJKZCUYDEK-SVFBPWRDSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170601266 1048726882 /nfs/dbraw/zinc/72/68/82/1048726882.db2.gz YHOKHJKZCUYDEK-SVFBPWRDSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170601266 1048726896 /nfs/dbraw/zinc/72/68/96/1048726896.db2.gz YHOKHJKZCUYDEK-SVFBPWRDSA-N 2 2 329.532 4.194 20 0 EIADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000772949821 1048888314 /nfs/dbraw/zinc/88/83/14/1048888314.db2.gz VHWGQSZUHUGBSU-HNNXBMFYSA-N 2 2 343.298 4.279 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc2c(s1)CCC2 ZINC000135054817 1049060006 /nfs/dbraw/zinc/06/00/06/1049060006.db2.gz KTZVEGRSIIHCAG-AWEZNQCLSA-N 2 2 333.545 4.080 20 0 EIADLP c1cc2cccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2[nH]1 ZINC000282744794 1049439978 /nfs/dbraw/zinc/43/99/78/1049439978.db2.gz NMPYADGSTFJFCV-GOSISDBHSA-N 2 2 334.467 4.080 20 0 EIADLP c1cc2cccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2[nH]1 ZINC000282744794 1049439982 /nfs/dbraw/zinc/43/99/82/1049439982.db2.gz NMPYADGSTFJFCV-GOSISDBHSA-N 2 2 334.467 4.080 20 0 EIADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000812825910 1049588863 /nfs/dbraw/zinc/58/88/63/1049588863.db2.gz QLUAZNKQIZYVKX-QZTJIDSGSA-N 2 2 329.532 4.137 20 0 EIADLP C[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000812825912 1049590587 /nfs/dbraw/zinc/59/05/87/1049590587.db2.gz QLUAZNKQIZYVKX-ZWKOTPCHSA-N 2 2 329.532 4.137 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000812845169 1049608989 /nfs/dbraw/zinc/60/89/89/1049608989.db2.gz YDOHOTABSBAHOW-SFHVURJKSA-N 2 2 329.532 4.280 20 0 EIADLP Fc1cccc2c1CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001171400831 1049619947 /nfs/dbraw/zinc/61/99/47/1049619947.db2.gz GGLNRIWBWBTRQS-SIKLNZKXSA-N 2 2 338.470 4.110 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237675091 1049692353 /nfs/dbraw/zinc/69/23/53/1049692353.db2.gz CYMNLTHZUBYKHR-CYBMUJFWSA-N 2 2 332.460 4.090 20 0 EIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237675091 1049692367 /nfs/dbraw/zinc/69/23/67/1049692367.db2.gz CYMNLTHZUBYKHR-CYBMUJFWSA-N 2 2 332.460 4.090 20 0 EIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1(C)C ZINC001171630039 1049762550 /nfs/dbraw/zinc/76/25/50/1049762550.db2.gz FUQYPEHTUYDHJY-MRXNPFEDSA-N 2 2 335.923 4.427 20 0 EIADLP C[N@@H+](Cc1ccc(Cl)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137661576 1049771366 /nfs/dbraw/zinc/77/13/66/1049771366.db2.gz YZTAOFJKGPMHMO-QGZVFWFLSA-N 2 2 346.877 4.433 20 0 EIADLP C[N@H+](Cc1ccc(Cl)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137661576 1049771369 /nfs/dbraw/zinc/77/13/69/1049771369.db2.gz YZTAOFJKGPMHMO-QGZVFWFLSA-N 2 2 346.877 4.433 20 0 EIADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137661576 1049771374 /nfs/dbraw/zinc/77/13/74/1049771374.db2.gz YZTAOFJKGPMHMO-QGZVFWFLSA-N 2 2 346.877 4.433 20 0 EIADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137661576 1049771380 /nfs/dbraw/zinc/77/13/80/1049771380.db2.gz YZTAOFJKGPMHMO-QGZVFWFLSA-N 2 2 346.877 4.433 20 0 EIADLP Cc1ccc(CC[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171666812 1049773070 /nfs/dbraw/zinc/77/30/70/1049773070.db2.gz QRNNMHFTXLYIJT-HMXCVIKNSA-N 2 2 337.511 4.488 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001171965745 1049826730 /nfs/dbraw/zinc/82/67/30/1049826730.db2.gz RFKARWXCXXRPSF-IBGZPJMESA-N 2 2 344.449 4.498 20 0 EIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171965745 1049826731 /nfs/dbraw/zinc/82/67/31/1049826731.db2.gz RFKARWXCXXRPSF-IBGZPJMESA-N 2 2 344.449 4.498 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982469 1049838897 /nfs/dbraw/zinc/83/88/97/1049838897.db2.gz IWZYHZHKJYLVAZ-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982469 1049838898 /nfs/dbraw/zinc/83/88/98/1049838898.db2.gz IWZYHZHKJYLVAZ-ICSRJNTNSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984888 1049839972 /nfs/dbraw/zinc/83/99/72/1049839972.db2.gz YNMJKHVKGJWVPF-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171984888 1049839974 /nfs/dbraw/zinc/83/99/74/1049839974.db2.gz YNMJKHVKGJWVPF-QUCCMNQESA-N 2 2 337.511 4.484 20 0 EIADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840100 /nfs/dbraw/zinc/84/01/00/1049840100.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840102 /nfs/dbraw/zinc/84/01/02/1049840102.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840105 /nfs/dbraw/zinc/84/01/05/1049840105.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 3 2 345.575 4.093 20 0 EIADLP CCC[NH+](CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840108 /nfs/dbraw/zinc/84/01/08/1049840108.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 3 2 345.575 4.093 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2COc4ccccc42)C3)cc1 ZINC001172074034 1049844355 /nfs/dbraw/zinc/84/43/55/1049844355.db2.gz SUJBJOMWBCBKRG-XAPVIXHLSA-N 2 2 348.490 4.295 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2COc4ccccc42)C3)cc1 ZINC001172074034 1049844362 /nfs/dbraw/zinc/84/43/62/1049844362.db2.gz SUJBJOMWBCBKRG-XAPVIXHLSA-N 2 2 348.490 4.295 20 0 EIADLP Clc1cccc2c1CC[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171037537 1049889028 /nfs/dbraw/zinc/88/90/28/1049889028.db2.gz MYTWKZFQRXUUIS-INIZCTEOSA-N 2 2 342.870 4.136 20 0 EIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172359711 1049894971 /nfs/dbraw/zinc/89/49/71/1049894971.db2.gz NHSAEIGPZTWBSO-FUHIMQAGSA-N 2 2 330.516 4.074 20 0 EIADLP CC(C)OCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172443243 1049913501 /nfs/dbraw/zinc/91/35/01/1049913501.db2.gz YNEMAHXLGFRMEG-DZFGPLHGSA-N 2 2 326.484 4.221 20 0 EIADLP CC(C)COCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172454042 1049916167 /nfs/dbraw/zinc/91/61/67/1049916167.db2.gz IJYVYUNAIQHVQW-STZQEDGTSA-N 2 2 340.511 4.469 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000089513179 1050120415 /nfs/dbraw/zinc/12/04/15/1050120415.db2.gz XWBPSGPCTWTPNJ-GFCCVEGCSA-N 2 2 344.421 4.341 20 0 EIADLP C[N@H+](CCC[NH2+]Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC001177136353 1050153925 /nfs/dbraw/zinc/15/39/25/1050153925.db2.gz LEIIZPQZNFKDLL-UHFFFAOYSA-N 2 2 343.540 4.412 20 0 EIADLP C[N@@H+](CCC[NH2+]Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC001177136353 1050153933 /nfs/dbraw/zinc/15/39/33/1050153933.db2.gz LEIIZPQZNFKDLL-UHFFFAOYSA-N 2 2 343.540 4.412 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)CC2 ZINC001172837446 1050171272 /nfs/dbraw/zinc/17/12/72/1050171272.db2.gz GFGKLNMAMVADJD-JOCHJYFZSA-N 2 2 326.528 4.191 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)CC2 ZINC001172837446 1050171282 /nfs/dbraw/zinc/17/12/82/1050171282.db2.gz GFGKLNMAMVADJD-JOCHJYFZSA-N 2 2 326.528 4.191 20 0 EIADLP CCCc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC001177249904 1050175752 /nfs/dbraw/zinc/17/57/52/1050175752.db2.gz FSLQFOINNBEJSE-UHFFFAOYSA-N 2 2 332.557 4.090 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172878751 1050220141 /nfs/dbraw/zinc/22/01/41/1050220141.db2.gz KDTXSAMWLQMLLE-GDBMZVCRSA-N 2 2 338.948 4.427 20 0 EIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172878751 1050220154 /nfs/dbraw/zinc/22/01/54/1050220154.db2.gz KDTXSAMWLQMLLE-GDBMZVCRSA-N 2 2 338.948 4.427 20 0 EIADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070295 1050222406 /nfs/dbraw/zinc/22/24/06/1050222406.db2.gz OSIAVZXHKLXMPC-RDJZCZTQSA-N 2 2 328.504 4.117 20 0 EIADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C2CCC2)[nH+]1 ZINC001186070295 1050222422 /nfs/dbraw/zinc/22/24/22/1050222422.db2.gz OSIAVZXHKLXMPC-RDJZCZTQSA-N 2 2 328.504 4.117 20 0 EIADLP C[C@@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172881419 1050223419 /nfs/dbraw/zinc/22/34/19/1050223419.db2.gz GMNMHRWTGGHWSX-UONOGXRCSA-N 2 2 335.904 4.357 20 0 EIADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091317650 1050252747 /nfs/dbraw/zinc/25/27/47/1050252747.db2.gz SYABDVFVNZNNJU-OAQYLSRUSA-N 2 2 348.506 4.148 20 0 EIADLP CC[NH+](CC)CCn1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC001203253773 1050327160 /nfs/dbraw/zinc/32/71/60/1050327160.db2.gz QDHSGGGOYVFGFP-UHFFFAOYSA-N 2 2 343.862 4.170 20 0 EIADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Oc1cccc(Cl)c1 ZINC001177928521 1050336823 /nfs/dbraw/zinc/33/68/23/1050336823.db2.gz MEFHGSXCGHZIFR-CYBMUJFWSA-N 2 2 347.871 4.144 20 0 EIADLP Cc1cc([NH2+]C[C@H]2C(C)=CCC[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001178031000 1050371728 /nfs/dbraw/zinc/37/17/28/1050371728.db2.gz UPDSJCGHWRJYND-XLIONFOSSA-N 2 2 327.516 4.151 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCn1cc[nH+]c1 ZINC001173552266 1050490179 /nfs/dbraw/zinc/49/01/79/1050490179.db2.gz WUIRTOAKDGUCSW-CYBMUJFWSA-N 2 2 326.271 4.191 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)[NH+](CC)CC)cc1 ZINC001178827220 1050565469 /nfs/dbraw/zinc/56/54/69/1050565469.db2.gz MSKZFNRJOPVQIH-NJYVYQBISA-N 2 2 332.532 4.179 20 0 EIADLP FC(F)(F)c1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000075774228 1050665278 /nfs/dbraw/zinc/66/52/78/1050665278.db2.gz NFEBSCPOCGKVDT-UHFFFAOYSA-N 2 2 345.368 4.240 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(CC(C)C)nc2)[nH+]1 ZINC001179937935 1050823982 /nfs/dbraw/zinc/82/39/82/1050823982.db2.gz QQBKOQLDMQTXIZ-HXUWFJFHSA-N 2 2 338.499 4.060 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(CC(C)C)nc2)[nH+]1 ZINC001179937935 1050823987 /nfs/dbraw/zinc/82/39/87/1050823987.db2.gz QQBKOQLDMQTXIZ-HXUWFJFHSA-N 2 2 338.499 4.060 20 0 EIADLP CC(C)COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152784943 1050851490 /nfs/dbraw/zinc/85/14/90/1050851490.db2.gz FCFJMSMPQOUBQW-KRWDZBQOSA-N 2 2 341.499 4.148 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(-c2ccccc2)o1 ZINC000152823196 1050863568 /nfs/dbraw/zinc/86/35/68/1050863568.db2.gz LBZLXSOGHZDOOM-INIZCTEOSA-N 2 2 335.451 4.373 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC001180646558 1051056003 /nfs/dbraw/zinc/05/60/03/1051056003.db2.gz NLJIYCZCSAQQSC-UMDHHFKGSA-N 2 2 344.543 4.082 20 0 EIADLP COC1CCC(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180646558 1051056009 /nfs/dbraw/zinc/05/60/09/1051056009.db2.gz NLJIYCZCSAQQSC-UMDHHFKGSA-N 2 2 344.543 4.082 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1Cl ZINC001181534285 1051248473 /nfs/dbraw/zinc/24/84/73/1051248473.db2.gz IMVIAUMJBVRBTI-BBRMVZONSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1Cl ZINC001181534285 1051248477 /nfs/dbraw/zinc/24/84/77/1051248477.db2.gz IMVIAUMJBVRBTI-BBRMVZONSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1Cl ZINC001181534285 1051248485 /nfs/dbraw/zinc/24/84/85/1051248485.db2.gz IMVIAUMJBVRBTI-BBRMVZONSA-N 2 2 327.299 4.218 20 0 EIADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1Cl ZINC001181534285 1051248494 /nfs/dbraw/zinc/24/84/94/1051248494.db2.gz IMVIAUMJBVRBTI-BBRMVZONSA-N 2 2 327.299 4.218 20 0 EIADLP C[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)CCC(F)(F)F ZINC001190690616 1051258127 /nfs/dbraw/zinc/25/81/27/1051258127.db2.gz HDXQZSZHZISKSP-UHFFFAOYSA-N 2 2 342.449 4.215 20 0 EIADLP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)CCC(F)(F)F ZINC001190690616 1051258142 /nfs/dbraw/zinc/25/81/42/1051258142.db2.gz HDXQZSZHZISKSP-UHFFFAOYSA-N 2 2 342.449 4.215 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000620757836 1051276354 /nfs/dbraw/zinc/27/63/54/1051276354.db2.gz PUILSWQWSYFKFP-SFHVURJKSA-N 2 2 334.467 4.077 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272358632 1051568249 /nfs/dbraw/zinc/56/82/49/1051568249.db2.gz RUECWBYGTPSZIQ-MPGHIAIKSA-N 2 2 329.513 4.013 20 0 EIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272358632 1051568267 /nfs/dbraw/zinc/56/82/67/1051568267.db2.gz RUECWBYGTPSZIQ-MPGHIAIKSA-N 2 2 329.513 4.013 20 0 EIADLP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001192334257 1051691142 /nfs/dbraw/zinc/69/11/42/1051691142.db2.gz GKCQQYDYDSECCJ-XXBNENTESA-N 2 2 345.490 4.352 20 0 EIADLP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC001192334257 1051691146 /nfs/dbraw/zinc/69/11/46/1051691146.db2.gz GKCQQYDYDSECCJ-XXBNENTESA-N 2 2 345.490 4.352 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C[N@@H+]1Cc1ccccc1 ZINC001183024800 1051772727 /nfs/dbraw/zinc/77/27/27/1051772727.db2.gz OZIRJVLHUIVMRZ-HYVNUMGLSA-N 2 2 341.326 4.213 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C[N@H+]1Cc1ccccc1 ZINC001183024800 1051772736 /nfs/dbraw/zinc/77/27/36/1051772736.db2.gz OZIRJVLHUIVMRZ-HYVNUMGLSA-N 2 2 341.326 4.213 20 0 EIADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2CCC(C(C)C)CC2)CC1 ZINC001183181881 1051802642 /nfs/dbraw/zinc/80/26/42/1051802642.db2.gz ZJJYLXMRPLGRRK-UHFFFAOYSA-N 2 2 336.564 4.026 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC001183481196 1051848374 /nfs/dbraw/zinc/84/83/74/1051848374.db2.gz FDQLPRPSZJFYSI-XLIONFOSSA-N 2 2 333.479 4.311 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC001183481196 1051848377 /nfs/dbraw/zinc/84/83/77/1051848377.db2.gz FDQLPRPSZJFYSI-XLIONFOSSA-N 2 2 333.479 4.311 20 0 EIADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183866290 1051920758 /nfs/dbraw/zinc/92/07/58/1051920758.db2.gz ZFLOEDGWXGLZEP-UHFFFAOYSA-N 2 2 327.472 4.357 20 0 EIADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184266129 1051980473 /nfs/dbraw/zinc/98/04/73/1051980473.db2.gz YYDUHJACJCVJBB-QGZVFWFLSA-N 2 2 342.449 4.348 20 0 EIADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184266129 1051980485 /nfs/dbraw/zinc/98/04/85/1051980485.db2.gz YYDUHJACJCVJBB-QGZVFWFLSA-N 2 2 342.449 4.348 20 0 EIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)ccc1OC ZINC001176312702 1052017516 /nfs/dbraw/zinc/01/75/16/1052017516.db2.gz WRLFXVMJVAAZRM-IBGZPJMESA-N 2 2 339.414 4.261 20 0 EIADLP CCOC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165574442 1052071432 /nfs/dbraw/zinc/07/14/32/1052071432.db2.gz GXJICWUPIKYEGA-GOSISDBHSA-N 2 2 349.478 4.113 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000165618795 1052072392 /nfs/dbraw/zinc/07/23/92/1052072392.db2.gz TXGVNYQDDYEDRD-HNNXBMFYSA-N 2 2 341.524 4.335 20 0 EIADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000192075843 1052468332 /nfs/dbraw/zinc/46/83/32/1052468332.db2.gz YGLNYULNVKHKMC-NRFANRHFSA-N 2 2 332.451 4.221 20 0 EIADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000192075843 1052468333 /nfs/dbraw/zinc/46/83/33/1052468333.db2.gz YGLNYULNVKHKMC-NRFANRHFSA-N 2 2 332.451 4.221 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965304 1052578531 /nfs/dbraw/zinc/57/85/31/1052578531.db2.gz XZLJNCQXCPFXQI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965304 1052578540 /nfs/dbraw/zinc/57/85/40/1052578540.db2.gz XZLJNCQXCPFXQI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965304 1052578545 /nfs/dbraw/zinc/57/85/45/1052578545.db2.gz XZLJNCQXCPFXQI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000174965304 1052578549 /nfs/dbraw/zinc/57/85/49/1052578549.db2.gz XZLJNCQXCPFXQI-HNNXBMFYSA-N 2 2 331.891 4.052 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481221 1052662207 /nfs/dbraw/zinc/66/22/07/1052662207.db2.gz UMKZYTPKKWDJMS-HUUCEWRRSA-N 2 2 332.385 4.282 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1(C)C ZINC000623481221 1052662210 /nfs/dbraw/zinc/66/22/10/1052662210.db2.gz UMKZYTPKKWDJMS-HUUCEWRRSA-N 2 2 332.385 4.282 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524422 1052671808 /nfs/dbraw/zinc/67/18/08/1052671808.db2.gz SMNNQWURSWOCOW-AAEUAGOBSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000623524422 1052671812 /nfs/dbraw/zinc/67/18/12/1052671812.db2.gz SMNNQWURSWOCOW-AAEUAGOBSA-N 2 2 343.284 4.112 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000178606567 1052710071 /nfs/dbraw/zinc/71/00/71/1052710071.db2.gz BVCFPAQWUIFOCA-LIRRHRJNSA-N 2 2 330.422 4.127 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000178606567 1052710074 /nfs/dbraw/zinc/71/00/74/1052710074.db2.gz BVCFPAQWUIFOCA-LIRRHRJNSA-N 2 2 330.422 4.127 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000623880698 1052829297 /nfs/dbraw/zinc/82/92/97/1052829297.db2.gz QNNXSPOXWYHSQC-HUUCEWRRSA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000623880698 1052829298 /nfs/dbraw/zinc/82/92/98/1052829298.db2.gz QNNXSPOXWYHSQC-HUUCEWRRSA-N 2 2 335.542 4.076 20 0 EIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884267 1052954468 /nfs/dbraw/zinc/95/44/68/1052954468.db2.gz WBKFGBMSKYCWEI-QINHECLXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182884267 1052954472 /nfs/dbraw/zinc/95/44/72/1052954472.db2.gz WBKFGBMSKYCWEI-QINHECLXSA-N 2 2 338.499 4.027 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000183220483 1052966689 /nfs/dbraw/zinc/96/66/89/1052966689.db2.gz MCQVFFVJEUMRPV-CQSZACIVSA-N 2 2 327.378 4.060 20 0 EIADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1C ZINC000764432048 1053100887 /nfs/dbraw/zinc/10/08/87/1053100887.db2.gz JCIXQPOPCOSEPA-WWMYMODYSA-N 2 2 329.532 4.136 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850427458 1053205499 /nfs/dbraw/zinc/20/54/99/1053205499.db2.gz UETDXTOOAPMDED-INIZCTEOSA-N 2 2 333.435 4.048 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000383655567 1053371655 /nfs/dbraw/zinc/37/16/55/1053371655.db2.gz FIYVBAXBMZUHLS-QFBILLFUSA-N 2 2 343.540 4.404 20 0 EIADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000383655567 1053371671 /nfs/dbraw/zinc/37/16/71/1053371671.db2.gz FIYVBAXBMZUHLS-QFBILLFUSA-N 2 2 343.540 4.404 20 0 EIADLP CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000101932762 1053401964 /nfs/dbraw/zinc/40/19/64/1053401964.db2.gz KDWKACBXXDHSMR-UHFFFAOYSA-N 2 2 349.478 4.477 20 0 EIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250355 1053475710 /nfs/dbraw/zinc/47/57/10/1053475710.db2.gz LETKIZGEVAYEDP-GPMSIDNRSA-N 2 2 329.488 4.088 20 0 EIADLP COc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1SC ZINC000765252023 1053476817 /nfs/dbraw/zinc/47/68/17/1053476817.db2.gz PGWAWOIJEBRQDZ-KBXCAEBGSA-N 2 2 347.528 4.379 20 0 EIADLP Cc1c(Cl)cccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000865481565 1053521624 /nfs/dbraw/zinc/52/16/24/1053521624.db2.gz HVYMWSYUWJWRDX-LJQANCHMSA-N 2 2 339.870 4.456 20 0 EIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765429523 1053547690 /nfs/dbraw/zinc/54/76/90/1053547690.db2.gz WGUPWLBIYYYQRG-HSZRJFAPSA-N 2 2 349.522 4.307 20 0 EIADLP CSCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000921517833 1053573305 /nfs/dbraw/zinc/57/33/05/1053573305.db2.gz OKWDTLYLSVAKAP-UHFFFAOYSA-N 2 2 337.492 4.084 20 0 EIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866233516 1053658488 /nfs/dbraw/zinc/65/84/88/1053658488.db2.gz VBIFABVLBLDXIY-PZJWPPBQSA-N 2 2 342.458 4.088 20 0 EIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866233516 1053658491 /nfs/dbraw/zinc/65/84/91/1053658491.db2.gz VBIFABVLBLDXIY-PZJWPPBQSA-N 2 2 342.458 4.088 20 0 EIADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257459 1053666612 /nfs/dbraw/zinc/66/66/12/1053666612.db2.gz VCEQJAOSWWJVAL-GOSISDBHSA-N 2 2 348.494 4.433 20 0 EIADLP C[C@@H](CCc1cccnc1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000866364188 1053705243 /nfs/dbraw/zinc/70/52/43/1053705243.db2.gz QLQWYLSNLDZUJA-HNNXBMFYSA-N 2 2 340.858 4.032 20 0 EIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930818 1054027175 /nfs/dbraw/zinc/02/71/75/1054027175.db2.gz SWIOPRDKTNLUHT-KGLIPLIRSA-N 2 2 333.838 4.146 20 0 EIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197930818 1054027191 /nfs/dbraw/zinc/02/71/91/1054027191.db2.gz SWIOPRDKTNLUHT-KGLIPLIRSA-N 2 2 333.838 4.146 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000921630042 1054192079 /nfs/dbraw/zinc/19/20/79/1054192079.db2.gz OYXZBVBGQXMKDY-HNNXBMFYSA-N 2 2 349.931 4.107 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000921630042 1054192093 /nfs/dbraw/zinc/19/20/93/1054192093.db2.gz OYXZBVBGQXMKDY-HNNXBMFYSA-N 2 2 349.931 4.107 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000872033559 1054349895 /nfs/dbraw/zinc/34/98/95/1054349895.db2.gz FHAKXULSEFOUCD-IEBWSBKVSA-N 2 2 330.516 4.197 20 0 EIADLP CC(C)[C@@H]1CCCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580608 1054477954 /nfs/dbraw/zinc/47/79/54/1054477954.db2.gz PTRSZVVXDXCEQL-YADHBBJMSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001168580608 1054477958 /nfs/dbraw/zinc/47/79/58/1054477958.db2.gz PTRSZVVXDXCEQL-YADHBBJMSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001168580608 1054477966 /nfs/dbraw/zinc/47/79/66/1054477966.db2.gz PTRSZVVXDXCEQL-YADHBBJMSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)[C@@H]1CCCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001168580608 1054477967 /nfs/dbraw/zinc/47/79/67/1054477967.db2.gz PTRSZVVXDXCEQL-YADHBBJMSA-N 2 2 344.543 4.178 20 0 EIADLP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463984 1054495010 /nfs/dbraw/zinc/49/50/10/1054495010.db2.gz GFEHWALYMOKAMK-VXKWHMMOSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C2CCOCC2)cc1 ZINC000858463984 1054495018 /nfs/dbraw/zinc/49/50/18/1054495018.db2.gz GFEHWALYMOKAMK-VXKWHMMOSA-N 2 2 342.527 4.151 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001200879043 1054564419 /nfs/dbraw/zinc/56/44/19/1054564419.db2.gz DKRFVAHQJRSPPM-RXVVDRJESA-N 2 2 349.522 4.103 20 0 EIADLP C[C@H]1C[C@@H]([NH2+]Cc2nccc3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001200879043 1054564436 /nfs/dbraw/zinc/56/44/36/1054564436.db2.gz DKRFVAHQJRSPPM-RXVVDRJESA-N 2 2 349.522 4.103 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000859215561 1054644271 /nfs/dbraw/zinc/64/42/71/1054644271.db2.gz KFFVYXPFWCZZCI-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(-c3cccs3)on2)cc1 ZINC000859215561 1054644277 /nfs/dbraw/zinc/64/42/77/1054644277.db2.gz KFFVYXPFWCZZCI-UHFFFAOYSA-N 2 2 341.480 4.097 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201974687 1054952455 /nfs/dbraw/zinc/95/24/55/1054952455.db2.gz ZFPYLCQZMIBVAG-PWRODBHTSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201975479 1054952909 /nfs/dbraw/zinc/95/29/09/1054952909.db2.gz ICYFXBLCXRYGMN-QGZVFWFLSA-N 2 2 342.487 4.050 20 0 EIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201975479 1054952924 /nfs/dbraw/zinc/95/29/24/1054952924.db2.gz ICYFXBLCXRYGMN-QGZVFWFLSA-N 2 2 342.487 4.050 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977588 1054954086 /nfs/dbraw/zinc/95/40/86/1054954086.db2.gz TYQDIOUDRJAVLO-ILWGZMRPSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977588 1054954092 /nfs/dbraw/zinc/95/40/92/1054954092.db2.gz TYQDIOUDRJAVLO-ILWGZMRPSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977588 1054954102 /nfs/dbraw/zinc/95/41/02/1054954102.db2.gz TYQDIOUDRJAVLO-ILWGZMRPSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201977588 1054954107 /nfs/dbraw/zinc/95/41/07/1054954107.db2.gz TYQDIOUDRJAVLO-ILWGZMRPSA-N 2 2 341.543 4.218 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1C(F)(F)F ZINC000862272831 1055043265 /nfs/dbraw/zinc/04/32/65/1055043265.db2.gz QOBCITVXAKUBQA-GFCCVEGCSA-N 2 2 331.407 4.168 20 0 EIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411521 1055295361 /nfs/dbraw/zinc/29/53/61/1055295361.db2.gz LHUJNKKRVBAIKM-QWHCGFSZSA-N 2 2 330.394 4.041 20 0 EIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411521 1055295385 /nfs/dbraw/zinc/29/53/85/1055295385.db2.gz LHUJNKKRVBAIKM-QWHCGFSZSA-N 2 2 330.394 4.041 20 0 EIADLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCc2ccccc21 ZINC000347634042 1055647877 /nfs/dbraw/zinc/64/78/77/1055647877.db2.gz IVFHGSZIMKGDSC-GOSISDBHSA-N 2 2 329.513 4.104 20 0 EIADLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCc2ccccc21 ZINC000347634042 1055647912 /nfs/dbraw/zinc/64/79/12/1055647912.db2.gz IVFHGSZIMKGDSC-GOSISDBHSA-N 2 2 329.513 4.104 20 0 EIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)(F)CC1 ZINC000655855086 1055764689 /nfs/dbraw/zinc/76/46/89/1055764689.db2.gz BIXLIIBMOHVNKO-LBPRGKRZSA-N 2 2 325.428 4.237 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000921775924 1056527901 /nfs/dbraw/zinc/52/79/01/1056527901.db2.gz ISSUNJNWVGYGFG-RHSMWYFYSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000921775924 1056527916 /nfs/dbraw/zinc/52/79/16/1056527916.db2.gz ISSUNJNWVGYGFG-RHSMWYFYSA-N 2 2 349.931 4.278 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000515315598 1056676167 /nfs/dbraw/zinc/67/61/67/1056676167.db2.gz HWVDPVVKKRVIOB-RTBURBONSA-N 2 2 344.886 4.274 20 0 EIADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000515315598 1056676180 /nfs/dbraw/zinc/67/61/80/1056676180.db2.gz HWVDPVVKKRVIOB-RTBURBONSA-N 2 2 344.886 4.274 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000742378833 1058605190 /nfs/dbraw/zinc/60/51/90/1058605190.db2.gz ZZKHRPOZRROUDL-UHFFFAOYSA-N 2 2 349.931 4.226 20 0 EIADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000766305257 1059365971 /nfs/dbraw/zinc/36/59/71/1059365971.db2.gz RQGPJHZZAXTJCY-OXQOHEQNSA-N 2 2 337.442 4.064 20 0 EIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1Cl ZINC000766307113 1059379294 /nfs/dbraw/zinc/37/92/94/1059379294.db2.gz WEJJJCLJQNXFPB-PBHICJAKSA-N 2 2 340.858 4.103 20 0 EIADLP COc1ccc2cc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc2c1 ZINC001169144353 1060663459 /nfs/dbraw/zinc/66/34/59/1060663459.db2.gz QWFZEUSTOOOZIH-UZLBHIALSA-N 2 2 327.472 4.199 20 0 EIADLP CC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001169270678 1060755455 /nfs/dbraw/zinc/75/54/55/1060755455.db2.gz JDXIJTHERKDHCM-YLJYHZDGSA-N 2 2 349.950 4.020 20 0 EIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000037157693 524962908 /nfs/dbraw/zinc/96/29/08/524962908.db2.gz CBXSEJPUVGGONH-RYUDHWBXSA-N 2 2 348.244 4.131 20 0 EIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1sccc1Br ZINC000532205144 1032090082 /nfs/dbraw/zinc/09/00/82/1032090082.db2.gz MTYFZFKHKZJJNL-NSHDSACASA-N 2 2 343.334 4.178 20 0 EIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1OC(F)F ZINC000532212274 1032096360 /nfs/dbraw/zinc/09/63/60/1032096360.db2.gz ZDVYYTFDCPOWTM-LBPRGKRZSA-N 2 2 343.805 4.269 20 0 EIADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226926 1032104165 /nfs/dbraw/zinc/10/41/65/1032104165.db2.gz XPHHWUOXAMHEKG-CMPLNLGQSA-N 2 2 333.328 4.364 20 0 EIADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000532226926 1032104172 /nfs/dbraw/zinc/10/41/72/1032104172.db2.gz XPHHWUOXAMHEKG-CMPLNLGQSA-N 2 2 333.328 4.364 20 0 EIADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000532230413 1032109853 /nfs/dbraw/zinc/10/98/53/1032109853.db2.gz OMJJYMHWJZYXGM-QWFCFKBJSA-N 2 2 330.516 4.055 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1sccc1Br ZINC000532233223 1032113524 /nfs/dbraw/zinc/11/35/24/1032113524.db2.gz QZPODVYZZJRMSC-NSHDSACASA-N 2 2 340.290 4.058 20 0 EIADLP Cc1cc(N2CCC([N@H+](C)Cc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000360073366 1032235992 /nfs/dbraw/zinc/23/59/92/1032235992.db2.gz GDGWZDDDKMWHJB-UHFFFAOYSA-N 2 2 344.528 4.071 20 0 EIADLP Cc1cc(N2CCC([N@@H+](C)Cc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000360073366 1032236009 /nfs/dbraw/zinc/23/60/09/1032236009.db2.gz GDGWZDDDKMWHJB-UHFFFAOYSA-N 2 2 344.528 4.071 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000508622005 1032270433 /nfs/dbraw/zinc/27/04/33/1032270433.db2.gz NZKHGXQLUMWZKX-CYBMUJFWSA-N 2 2 338.282 4.182 20 0 EIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000508622005 1032270442 /nfs/dbraw/zinc/27/04/42/1032270442.db2.gz NZKHGXQLUMWZKX-CYBMUJFWSA-N 2 2 338.282 4.182 20 0 EIADLP c1cn(C2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c[nH+]1 ZINC000171941984 1032283733 /nfs/dbraw/zinc/28/37/33/1032283733.db2.gz LPWLEYQFBBIBSW-UHFFFAOYSA-N 2 2 347.462 4.299 20 0 EIADLP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450368751 1032458707 /nfs/dbraw/zinc/45/87/07/1032458707.db2.gz JRYBFRUNCZKMQG-CYBMUJFWSA-N 2 2 344.821 4.201 20 0 EIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)nc1 ZINC000760169827 1032543025 /nfs/dbraw/zinc/54/30/25/1032543025.db2.gz RVBYYUCKZMWPSV-RHSMWYFYSA-N 2 2 340.858 4.103 20 0 EIADLP c1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000180415019 1032588170 /nfs/dbraw/zinc/58/81/70/1032588170.db2.gz MMYCHPHDJWZLFK-OAQYLSRUSA-N 2 2 332.451 4.048 20 0 EIADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000432732335 1032620235 /nfs/dbraw/zinc/62/02/35/1032620235.db2.gz ULUNTBFRAKJAHD-WCQYABFASA-N 2 2 329.391 4.047 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1n1cc[nH+]c1 ZINC000432732335 1032620261 /nfs/dbraw/zinc/62/02/61/1032620261.db2.gz ULUNTBFRAKJAHD-WCQYABFASA-N 2 2 329.391 4.047 20 0 EIADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143093 1018834207 /nfs/dbraw/zinc/83/42/07/1018834207.db2.gz WPWLAJQHWXSXAA-IBGZPJMESA-N 2 2 330.472 4.082 20 0 EIADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143093 1018834210 /nfs/dbraw/zinc/83/42/10/1018834210.db2.gz WPWLAJQHWXSXAA-IBGZPJMESA-N 2 2 330.472 4.082 20 0 EIADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143093 1018834213 /nfs/dbraw/zinc/83/42/13/1018834213.db2.gz WPWLAJQHWXSXAA-IBGZPJMESA-N 2 2 330.472 4.082 20 0 EIADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000430143093 1018834220 /nfs/dbraw/zinc/83/42/20/1018834220.db2.gz WPWLAJQHWXSXAA-IBGZPJMESA-N 2 2 330.472 4.082 20 0 EIADLP CC(F)(F)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000339420107 1018857504 /nfs/dbraw/zinc/85/75/04/1018857504.db2.gz ZTLCDDMJNRPWQI-UHFFFAOYSA-N 2 2 333.407 4.335 20 0 EIADLP C[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C[C@H]1n1cc[nH+]c1 ZINC000246195207 1032796770 /nfs/dbraw/zinc/79/67/70/1032796770.db2.gz LMMAVNGHWRTIPD-SWLSCSKDSA-N 2 2 341.427 4.015 20 0 EIADLP C[C@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C[C@H]1n1cc[nH+]c1 ZINC000246195207 1032796788 /nfs/dbraw/zinc/79/67/88/1032796788.db2.gz LMMAVNGHWRTIPD-SWLSCSKDSA-N 2 2 341.427 4.015 20 0 EIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CCOCC1 ZINC000537948645 1019877047 /nfs/dbraw/zinc/87/70/47/1019877047.db2.gz WBKLRMYTJRVXSD-NHCUHLMSSA-N 2 2 341.499 4.036 20 0 EIADLP Fc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Cl)c2)c1 ZINC000179992568 1020016673 /nfs/dbraw/zinc/01/66/73/1020016673.db2.gz HMMFCZLYMSWPLY-SFHVURJKSA-N 2 2 329.806 4.055 20 0 EIADLP CCc1ccc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(C)C)cc1 ZINC000510185662 1020404488 /nfs/dbraw/zinc/40/44/88/1020404488.db2.gz OLPFHDQWTONSOX-LJQANCHMSA-N 2 2 331.529 4.254 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000398139017 1020496677 /nfs/dbraw/zinc/49/66/77/1020496677.db2.gz LVOLEEBYQLCHPR-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000398139017 1020496691 /nfs/dbraw/zinc/49/66/91/1020496691.db2.gz LVOLEEBYQLCHPR-RHSMWYFYSA-N 2 2 334.916 4.402 20 0 EIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000340207063 1020630198 /nfs/dbraw/zinc/63/01/98/1020630198.db2.gz ARDINKPASSZNDE-IBGZPJMESA-N 2 2 344.499 4.115 20 0 EIADLP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655693914 1020900361 /nfs/dbraw/zinc/90/03/61/1020900361.db2.gz ARCIPTCGQCHSPN-WOJBJXKFSA-N 2 2 348.506 4.146 20 0 EIADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)cc1 ZINC000655700634 1020903515 /nfs/dbraw/zinc/90/35/15/1020903515.db2.gz KEENZHBEQPRGNC-YADHBBJMSA-N 2 2 342.527 4.151 20 0 EIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655760639 1020941951 /nfs/dbraw/zinc/94/19/51/1020941951.db2.gz VXKCSUNLSBAIGU-WMZOPIPTSA-N 2 2 342.483 4.035 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848448 1021012354 /nfs/dbraw/zinc/01/23/54/1021012354.db2.gz FHLXSJHXAFLKAJ-FUMNGEBKSA-N 2 2 327.516 4.023 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848448 1021012359 /nfs/dbraw/zinc/01/23/59/1021012359.db2.gz FHLXSJHXAFLKAJ-FUMNGEBKSA-N 2 2 327.516 4.023 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848072 1021012370 /nfs/dbraw/zinc/01/23/70/1021012370.db2.gz AQQRHNDPYQXHJP-BULFRSBZSA-N 2 2 335.495 4.416 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(-c2ccncc2)c1 ZINC000655848072 1021012376 /nfs/dbraw/zinc/01/23/76/1021012376.db2.gz AQQRHNDPYQXHJP-BULFRSBZSA-N 2 2 335.495 4.416 20 0 EIADLP Cc1ccc(C)c([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000584499232 1021359830 /nfs/dbraw/zinc/35/98/30/1021359830.db2.gz BGUMZOFSXPWPMN-GCJKJVERSA-N 2 2 331.463 4.263 20 0 EIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957097 1021456713 /nfs/dbraw/zinc/45/67/13/1021456713.db2.gz RCWOCTFRSZMECS-GHTZIAJQSA-N 2 2 343.559 4.488 20 0 EIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000537957097 1021456724 /nfs/dbraw/zinc/45/67/24/1021456724.db2.gz RCWOCTFRSZMECS-GHTZIAJQSA-N 2 2 343.559 4.488 20 0 EIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000161605464 1021482495 /nfs/dbraw/zinc/48/24/95/1021482495.db2.gz BMEXOQQRUYWXBG-GFCCVEGCSA-N 2 2 343.284 4.113 20 0 EIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000892527102 1021767732 /nfs/dbraw/zinc/76/77/32/1021767732.db2.gz IOPQLXXPBILUPN-UHFFFAOYSA-N 2 2 337.467 4.420 20 0 EIADLP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCCC1 ZINC000414071502 1021799455 /nfs/dbraw/zinc/79/94/55/1021799455.db2.gz LXOAWHAZJWLQNS-HZPDHXFCSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1csc(-c2ccccc2)n1 ZINC000414099138 1021853716 /nfs/dbraw/zinc/85/37/16/1021853716.db2.gz JIWBMTLCAJKYST-HNNXBMFYSA-N 2 2 338.480 4.358 20 0 EIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c2ccccc21 ZINC000656201288 1021932439 /nfs/dbraw/zinc/93/24/39/1021932439.db2.gz ODMXMFSNMUFERF-DLBZAZTESA-N 2 2 348.368 4.309 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OC3CCCC3)c1)CCC2 ZINC000377836821 1022043495 /nfs/dbraw/zinc/04/34/95/1022043495.db2.gz GDKYZZXEOSEAOC-SFHVURJKSA-N 2 2 339.483 4.180 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OC3CCCC3)c1)CCC2 ZINC000377836820 1022044282 /nfs/dbraw/zinc/04/42/82/1022044282.db2.gz GDKYZZXEOSEAOC-GOSISDBHSA-N 2 2 339.483 4.180 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2noc4ccccc24)C3)cc1 ZINC000580465626 1022054906 /nfs/dbraw/zinc/05/49/06/1022054906.db2.gz PUBDOXUXIGWSPG-LDLYASANSA-N 2 2 347.462 4.113 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2noc4ccccc24)C3)cc1 ZINC000580465626 1022054928 /nfs/dbraw/zinc/05/49/28/1022054928.db2.gz PUBDOXUXIGWSPG-LDLYASANSA-N 2 2 347.462 4.113 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2noc4ccccc24)C3)cc1 ZINC000580465627 1022055838 /nfs/dbraw/zinc/05/58/38/1022055838.db2.gz PUBDOXUXIGWSPG-REPLKXPHSA-N 2 2 347.462 4.113 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2noc4ccccc24)C3)cc1 ZINC000580465627 1022055852 /nfs/dbraw/zinc/05/58/52/1022055852.db2.gz PUBDOXUXIGWSPG-REPLKXPHSA-N 2 2 347.462 4.113 20 0 EIADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000178587648 1022141622 /nfs/dbraw/zinc/14/16/22/1022141622.db2.gz NKFDZTLMBYTIJK-KRWDZBQOSA-N 2 2 339.439 4.338 20 0 EIADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653029 1022282436 /nfs/dbraw/zinc/28/24/36/1022282436.db2.gz WAFSSLSPNZDKPL-MAUKXSAKSA-N 2 2 329.513 4.178 20 0 EIADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348653029 1022282452 /nfs/dbraw/zinc/28/24/52/1022282452.db2.gz WAFSSLSPNZDKPL-MAUKXSAKSA-N 2 2 329.513 4.178 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CC(C)(C)Oc3cc(F)ccc31)CCC2 ZINC000378185153 1022486335 /nfs/dbraw/zinc/48/63/35/1022486335.db2.gz RPYADBAGRUPXOA-PBHICJAKSA-N 2 2 343.446 4.100 20 0 EIADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000376476598 1022800649 /nfs/dbraw/zinc/80/06/49/1022800649.db2.gz IIDFFTZKMSQTNA-UZLBHIALSA-N 2 2 344.524 4.078 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000430565685 1023052709 /nfs/dbraw/zinc/05/27/09/1023052709.db2.gz QKHKWVNVKXGAID-YJBOKZPZSA-N 2 2 343.540 4.493 20 0 EIADLP CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000430565685 1023052715 /nfs/dbraw/zinc/05/27/15/1023052715.db2.gz QKHKWVNVKXGAID-YJBOKZPZSA-N 2 2 343.540 4.493 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000656503613 1023074645 /nfs/dbraw/zinc/07/46/45/1023074645.db2.gz QMERIHDIAKUKIA-ACRUOGEOSA-N 2 2 331.463 4.097 20 0 EIADLP C/C(=C\c1ccccc1)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376682547 1023254470 /nfs/dbraw/zinc/25/44/70/1023254470.db2.gz UWUJGYWZQDHCMX-UMKIKXNYSA-N 2 2 335.495 4.110 20 0 EIADLP C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376682547 1023254484 /nfs/dbraw/zinc/25/44/84/1023254484.db2.gz UWUJGYWZQDHCMX-UMKIKXNYSA-N 2 2 335.495 4.110 20 0 EIADLP C/C(=C\c1ccccc1)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376682547 1023254493 /nfs/dbraw/zinc/25/44/93/1023254493.db2.gz UWUJGYWZQDHCMX-UMKIKXNYSA-N 2 2 335.495 4.110 20 0 EIADLP C/C(=C\c1ccccc1)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376682547 1023254504 /nfs/dbraw/zinc/25/45/04/1023254504.db2.gz UWUJGYWZQDHCMX-UMKIKXNYSA-N 2 2 335.495 4.110 20 0 EIADLP CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119553532 1023410802 /nfs/dbraw/zinc/41/08/02/1023410802.db2.gz PVXJFELXKLIIBS-KRWDZBQOSA-N 2 2 335.451 4.260 20 0 EIADLP Brc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415077328 1023423357 /nfs/dbraw/zinc/42/33/57/1023423357.db2.gz HNWWSUCVFNDHJN-FUHWJXTLSA-N 2 2 345.284 4.032 20 0 EIADLP COc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415081244 1023430471 /nfs/dbraw/zinc/43/04/71/1023430471.db2.gz KMPMLBIQVCXSGS-OXQOHEQNSA-N 2 2 344.886 4.170 20 0 EIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(c1ccccc1)c1ccccc1 ZINC000377414564 1023519939 /nfs/dbraw/zinc/51/99/39/1023519939.db2.gz VLDFCUDFYRWPHS-LPHOPBHVSA-N 2 2 331.463 4.077 20 0 EIADLP Clc1sccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000312592880 1023593823 /nfs/dbraw/zinc/59/38/23/1023593823.db2.gz ALNNUGXNPWKOAR-MRXNPFEDSA-N 2 2 334.916 4.403 20 0 EIADLP Clc1sccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312592880 1023593833 /nfs/dbraw/zinc/59/38/33/1023593833.db2.gz ALNNUGXNPWKOAR-MRXNPFEDSA-N 2 2 334.916 4.403 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276508828 1023613257 /nfs/dbraw/zinc/61/32/57/1023613257.db2.gz ZDWVRQVJYBGSQB-HXUWFJFHSA-N 2 2 349.482 4.199 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276508828 1023613263 /nfs/dbraw/zinc/61/32/63/1023613263.db2.gz ZDWVRQVJYBGSQB-HXUWFJFHSA-N 2 2 349.482 4.199 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390552352 1023675494 /nfs/dbraw/zinc/67/54/94/1023675494.db2.gz DLYSRTQLSQRSMJ-NVXWUHKLSA-N 2 2 328.422 4.362 20 0 EIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390552352 1023675502 /nfs/dbraw/zinc/67/55/02/1023675502.db2.gz DLYSRTQLSQRSMJ-NVXWUHKLSA-N 2 2 328.422 4.362 20 0 EIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1Cl ZINC000377798100 1023763326 /nfs/dbraw/zinc/76/33/26/1023763326.db2.gz DHVBYXRIAIRQRS-PXAZEXFGSA-N 2 2 336.266 4.315 20 0 EIADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478464 1023859651 /nfs/dbraw/zinc/85/96/51/1023859651.db2.gz BZWAXOPSYGPSKA-GJZGRUSLSA-N 2 2 325.447 4.080 20 0 EIADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478464 1023859653 /nfs/dbraw/zinc/85/96/53/1023859653.db2.gz BZWAXOPSYGPSKA-GJZGRUSLSA-N 2 2 325.447 4.080 20 0 EIADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000194864125 1023919447 /nfs/dbraw/zinc/91/94/47/1023919447.db2.gz KIOYZMYESRNVRW-LJQANCHMSA-N 2 2 333.435 4.048 20 0 EIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000430729775 1023980988 /nfs/dbraw/zinc/98/09/88/1023980988.db2.gz HPEUBZZJSVHVTF-OOSNJVJTSA-N 2 2 329.532 4.411 20 0 EIADLP CC(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000341644654 1024095787 /nfs/dbraw/zinc/09/57/87/1024095787.db2.gz YUJMAENGUVEHGE-INIZCTEOSA-N 2 2 325.378 4.279 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510736765 1024380096 /nfs/dbraw/zinc/38/00/96/1024380096.db2.gz RFGWTPIKFYZAIN-HBGVWJBISA-N 2 2 326.459 4.296 20 0 EIADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(F)c2)c1 ZINC000510736765 1024380105 /nfs/dbraw/zinc/38/01/05/1024380105.db2.gz RFGWTPIKFYZAIN-HBGVWJBISA-N 2 2 326.459 4.296 20 0 EIADLP COc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000091318760 1024567504 /nfs/dbraw/zinc/56/75/04/1024567504.db2.gz LOERWOIRHXPONI-FQEVSTJZSA-N 2 2 325.456 4.023 20 0 EIADLP CC[N@H+](CCC1CC[NH+](Cc2ncc(Cl)s2)CC1)CC(C)C ZINC000548488656 1024849991 /nfs/dbraw/zinc/84/99/91/1024849991.db2.gz WDIFUKHDMLRZPR-UHFFFAOYSA-N 2 2 343.968 4.377 20 0 EIADLP CC[N@@H+](CCC1CC[NH+](Cc2ncc(Cl)s2)CC1)CC(C)C ZINC000548488656 1024849993 /nfs/dbraw/zinc/84/99/93/1024849993.db2.gz WDIFUKHDMLRZPR-UHFFFAOYSA-N 2 2 343.968 4.377 20 0 EIADLP COc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCC2)c1 ZINC000662109919 1024871281 /nfs/dbraw/zinc/87/12/81/1024871281.db2.gz VQLYMYWIOSBRRB-UHFFFAOYSA-N 2 2 347.462 4.358 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803855 1024962359 /nfs/dbraw/zinc/96/23/59/1024962359.db2.gz CKDGLPZFBUUDGK-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803855 1024962372 /nfs/dbraw/zinc/96/23/72/1024962372.db2.gz CKDGLPZFBUUDGK-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535803855 1024962385 /nfs/dbraw/zinc/96/23/85/1024962385.db2.gz CKDGLPZFBUUDGK-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535803855 1024962399 /nfs/dbraw/zinc/96/23/99/1024962399.db2.gz CKDGLPZFBUUDGK-YJBOKZPZSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803853 1024963149 /nfs/dbraw/zinc/96/31/49/1024963149.db2.gz CKDGLPZFBUUDGK-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535803853 1024963159 /nfs/dbraw/zinc/96/31/59/1024963159.db2.gz CKDGLPZFBUUDGK-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535803853 1024963172 /nfs/dbraw/zinc/96/31/72/1024963172.db2.gz CKDGLPZFBUUDGK-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP FC(F)(F)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535803853 1024963179 /nfs/dbraw/zinc/96/31/79/1024963179.db2.gz CKDGLPZFBUUDGK-MAUKXSAKSA-N 2 2 338.417 4.154 20 0 EIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903190 1024979996 /nfs/dbraw/zinc/97/99/96/1024979996.db2.gz TUOWTBXWWGOKIW-SIKLNZKXSA-N 2 2 340.511 4.355 20 0 EIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000341903190 1024980010 /nfs/dbraw/zinc/98/00/10/1024980010.db2.gz TUOWTBXWWGOKIW-SIKLNZKXSA-N 2 2 340.511 4.355 20 0 EIADLP Fc1cccc(Cl)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343894332 1024991397 /nfs/dbraw/zinc/99/13/97/1024991397.db2.gz RPABUPFFRQAENX-UHFFFAOYSA-N 2 2 329.806 4.014 20 0 EIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000277092502 1025037888 /nfs/dbraw/zinc/03/78/88/1025037888.db2.gz GLIAWIYLGFXTCX-MNEFBYGVSA-N 2 2 347.572 4.117 20 0 EIADLP Clc1scc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1Cl ZINC000663344325 1025139102 /nfs/dbraw/zinc/13/91/02/1025139102.db2.gz RMPLORLYYWGKBQ-LBPRGKRZSA-N 2 2 333.328 4.267 20 0 EIADLP Clc1scc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC000663344325 1025139113 /nfs/dbraw/zinc/13/91/13/1025139113.db2.gz RMPLORLYYWGKBQ-LBPRGKRZSA-N 2 2 333.328 4.267 20 0 EIADLP c1nc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)sc1-c1ccccc1 ZINC000663344638 1025140591 /nfs/dbraw/zinc/14/05/91/1025140591.db2.gz DDMPYVGYFBGSPW-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP c1nc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)sc1-c1ccccc1 ZINC000663344638 1025140604 /nfs/dbraw/zinc/14/06/04/1025140604.db2.gz DDMPYVGYFBGSPW-KRWDZBQOSA-N 2 2 341.524 4.022 20 0 EIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000326712849 1025210655 /nfs/dbraw/zinc/21/06/55/1025210655.db2.gz BCGAEALODZJICI-APWZRJJASA-N 2 2 345.487 4.056 20 0 EIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151110246 1025265949 /nfs/dbraw/zinc/26/59/49/1025265949.db2.gz MUJZEGFVLIRJBE-OAHLLOKOSA-N 2 2 340.496 4.364 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cnc2ccsc2c1 ZINC000151348704 1025284359 /nfs/dbraw/zinc/28/43/59/1025284359.db2.gz TVWDFPNTRWPBHW-HNNXBMFYSA-N 2 2 348.475 4.392 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164908 1025580633 /nfs/dbraw/zinc/58/06/33/1025580633.db2.gz VRAPUAJVFKFDFX-VQTJNVASSA-N 2 2 343.902 4.093 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546164908 1025580651 /nfs/dbraw/zinc/58/06/51/1025580651.db2.gz VRAPUAJVFKFDFX-VQTJNVASSA-N 2 2 343.902 4.093 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663622970 1025871079 /nfs/dbraw/zinc/87/10/79/1025871079.db2.gz YTZHAHUVWSIDPB-INIZCTEOSA-N 2 2 346.478 4.455 20 0 EIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390913093 1025882744 /nfs/dbraw/zinc/88/27/44/1025882744.db2.gz QQWPLJQBSAPXJB-KRWDZBQOSA-N 2 2 332.875 4.323 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000390913093 1025882748 /nfs/dbraw/zinc/88/27/48/1025882748.db2.gz QQWPLJQBSAPXJB-KRWDZBQOSA-N 2 2 332.875 4.323 20 0 EIADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(CC)CC ZINC000344033678 1025889812 /nfs/dbraw/zinc/88/98/12/1025889812.db2.gz LPXHNRVSHVIAFV-UXHICEINSA-N 2 2 341.499 4.005 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001207275311 1025981407 /nfs/dbraw/zinc/98/14/07/1025981407.db2.gz LSHDHRQFVDCIHZ-MRXNPFEDSA-N 2 2 339.321 4.174 20 0 EIADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001207275311 1025981426 /nfs/dbraw/zinc/98/14/26/1025981426.db2.gz LSHDHRQFVDCIHZ-MRXNPFEDSA-N 2 2 339.321 4.174 20 0 EIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000152238648 1026241557 /nfs/dbraw/zinc/24/15/57/1026241557.db2.gz BSOPRXQWJFHTSS-GFCCVEGCSA-N 2 2 331.341 4.140 20 0 EIADLP C[N@H+](Cc1cccc(C(F)F)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000375679352 1026327699 /nfs/dbraw/zinc/32/76/99/1026327699.db2.gz OQKTXMRDCRQUQR-UHFFFAOYSA-N 2 2 331.410 4.120 20 0 EIADLP C[N@@H+](Cc1cccc(C(F)F)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000375679352 1026327711 /nfs/dbraw/zinc/32/77/11/1026327711.db2.gz OQKTXMRDCRQUQR-UHFFFAOYSA-N 2 2 331.410 4.120 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)nc2ccccc12 ZINC000550239153 1026391137 /nfs/dbraw/zinc/39/11/37/1026391137.db2.gz QUHLHPRDVBRMGS-HXUWFJFHSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)nc2ccccc12 ZINC000550239153 1026391150 /nfs/dbraw/zinc/39/11/50/1026391150.db2.gz QUHLHPRDVBRMGS-HXUWFJFHSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)nc2ccccc12 ZINC000550239153 1026391165 /nfs/dbraw/zinc/39/11/65/1026391165.db2.gz QUHLHPRDVBRMGS-HXUWFJFHSA-N 2 2 343.902 4.114 20 0 EIADLP Cc1c(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)nc2ccccc12 ZINC000550239153 1026391186 /nfs/dbraw/zinc/39/11/86/1026391186.db2.gz QUHLHPRDVBRMGS-HXUWFJFHSA-N 2 2 343.902 4.114 20 0 EIADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000582427321 1026618878 /nfs/dbraw/zinc/61/88/78/1026618878.db2.gz KFICDQICLISYIU-QMMLZNLJSA-N 2 2 332.532 4.037 20 0 EIADLP Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000893707045 1026801652 /nfs/dbraw/zinc/80/16/52/1026801652.db2.gz OZZUHAGSXGLAQN-IBGZPJMESA-N 2 2 331.463 4.272 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000507471784 1026806906 /nfs/dbraw/zinc/80/69/06/1026806906.db2.gz PQGLPQXXUHWUEL-WFXMLNOXSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000507471784 1026806908 /nfs/dbraw/zinc/80/69/08/1026806908.db2.gz PQGLPQXXUHWUEL-WFXMLNOXSA-N 2 2 337.511 4.205 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000507506133 1026819568 /nfs/dbraw/zinc/81/95/68/1026819568.db2.gz FGDOEMJZILTWKW-WFXMLNOXSA-N 2 2 337.511 4.348 20 0 EIADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000507506133 1026819569 /nfs/dbraw/zinc/81/95/69/1026819569.db2.gz FGDOEMJZILTWKW-WFXMLNOXSA-N 2 2 337.511 4.348 20 0 EIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934559405 1026870138 /nfs/dbraw/zinc/87/01/38/1026870138.db2.gz MZAFEVRPYWVPQJ-QGZVFWFLSA-N 2 2 349.482 4.028 20 0 EIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684956364 1026890192 /nfs/dbraw/zinc/89/01/92/1026890192.db2.gz BVETVHXUXGBJJK-UWJYYQICSA-N 2 2 335.495 4.274 20 0 EIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3cccnc32)c(C)c1 ZINC000684960986 1026900101 /nfs/dbraw/zinc/90/01/01/1026900101.db2.gz WBCANNHLYHEZBS-LEWJYISDSA-N 2 2 346.478 4.303 20 0 EIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000474473379 1027099210 /nfs/dbraw/zinc/09/92/10/1027099210.db2.gz YHOPVPRLTYLYFZ-UXHICEINSA-N 2 2 325.500 4.278 20 0 EIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2SC(C)C)C1 ZINC000474487864 1027123240 /nfs/dbraw/zinc/12/32/40/1027123240.db2.gz KWHRYDCRUAWPEU-AWEZNQCLSA-N 2 2 326.937 4.272 20 0 EIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2SC(C)C)C1 ZINC000474487864 1027123248 /nfs/dbraw/zinc/12/32/48/1027123248.db2.gz KWHRYDCRUAWPEU-AWEZNQCLSA-N 2 2 326.937 4.272 20 0 EIADLP Cc1cccc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000301892068 1027132671 /nfs/dbraw/zinc/13/26/71/1027132671.db2.gz VMXMZBZOIRSHCR-INIZCTEOSA-N 2 2 335.373 4.095 20 0 EIADLP Cc1cccc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235521 1027275113 /nfs/dbraw/zinc/27/51/13/1027275113.db2.gz IGWLDHHJQLDERW-RDTXWAMCSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1cccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302235521 1027275138 /nfs/dbraw/zinc/27/51/38/1027275138.db2.gz IGWLDHHJQLDERW-RDTXWAMCSA-N 2 2 333.838 4.287 20 0 EIADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000078333199 1027319458 /nfs/dbraw/zinc/31/94/58/1027319458.db2.gz ZSXMKNLIINVORJ-UHFFFAOYSA-N 2 2 345.244 4.004 20 0 EIADLP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)ccc21 ZINC000520231696 1027339463 /nfs/dbraw/zinc/33/94/63/1027339463.db2.gz YWRXPJKLHJKJLT-QGZVFWFLSA-N 2 2 346.478 4.437 20 0 EIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474705736 1027422636 /nfs/dbraw/zinc/42/26/36/1027422636.db2.gz DQKTVEBNEVTWNG-HRCADAONSA-N 2 2 331.529 4.252 20 0 EIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474705736 1027422649 /nfs/dbraw/zinc/42/26/49/1027422649.db2.gz DQKTVEBNEVTWNG-HRCADAONSA-N 2 2 331.529 4.252 20 0 EIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000428352447 1027436513 /nfs/dbraw/zinc/43/65/13/1027436513.db2.gz PYDFUXDEIMWYDU-AWEZNQCLSA-N 2 2 338.455 4.451 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582844608 1027492645 /nfs/dbraw/zinc/49/26/45/1027492645.db2.gz AJQPPPBEMBDEPZ-IBGZPJMESA-N 2 2 342.433 4.252 20 0 EIADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582844608 1027492656 /nfs/dbraw/zinc/49/26/56/1027492656.db2.gz AJQPPPBEMBDEPZ-IBGZPJMESA-N 2 2 342.433 4.252 20 0 EIADLP CCC(CC)(C[NH2+]Cc1cnccc1C)[NH2+][C@H](C)c1ccccc1 ZINC000474807377 1027528040 /nfs/dbraw/zinc/52/80/40/1027528040.db2.gz IOCXGQJGUOAUPR-GOSISDBHSA-N 2 2 325.500 4.389 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474821158 1027542847 /nfs/dbraw/zinc/54/28/47/1027542847.db2.gz JNSUMNOWWWQIMS-KGLIPLIRSA-N 2 2 326.937 4.413 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474821158 1027542862 /nfs/dbraw/zinc/54/28/62/1027542862.db2.gz JNSUMNOWWWQIMS-KGLIPLIRSA-N 2 2 326.937 4.413 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000643344977 1027563707 /nfs/dbraw/zinc/56/37/07/1027563707.db2.gz DBBMSUUTTOVGDU-AEFFLSMTSA-N 2 2 343.902 4.298 20 0 EIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000643344977 1027563720 /nfs/dbraw/zinc/56/37/20/1027563720.db2.gz DBBMSUUTTOVGDU-AEFFLSMTSA-N 2 2 343.902 4.298 20 0 EIADLP Fc1cccc([C@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000475563109 1027631247 /nfs/dbraw/zinc/63/12/47/1027631247.db2.gz PZSGLAOCXAYMMM-RDJZCZTQSA-N 2 2 341.455 4.499 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474869099 1027700926 /nfs/dbraw/zinc/70/09/26/1027700926.db2.gz NPUBAVWVMAJGRO-HZSPNIEDSA-N 2 2 335.904 4.380 20 0 EIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000124358188 1027774236 /nfs/dbraw/zinc/77/42/36/1027774236.db2.gz CGWBZQVWZOZZTM-UHFFFAOYSA-N 2 2 346.356 4.292 20 0 EIADLP CCC[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000523299297 1027928973 /nfs/dbraw/zinc/92/89/73/1027928973.db2.gz JOZMMFYRODHKNH-UHFFFAOYSA-N 2 2 348.288 4.284 20 0 EIADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125614950 1028438134 /nfs/dbraw/zinc/43/81/34/1028438134.db2.gz VLLIAVCCRQGRMG-NRFANRHFSA-N 2 2 348.494 4.131 20 0 EIADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000126051272 1028520761 /nfs/dbraw/zinc/52/07/61/1028520761.db2.gz MSXCSIMJRKCHSG-OAQYLSRUSA-N 2 2 348.494 4.131 20 0 EIADLP COCCC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000281620785 1028815143 /nfs/dbraw/zinc/81/51/43/1028815143.db2.gz CCOXWWSXXGTSLY-LJQANCHMSA-N 2 2 345.462 4.170 20 0 EIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151035039 1028853935 /nfs/dbraw/zinc/85/39/35/1028853935.db2.gz QFWIXKMGCBUROO-RBZFPXEDSA-N 2 2 339.389 4.174 20 0 EIADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000925177029 1029108126 /nfs/dbraw/zinc/10/81/26/1029108126.db2.gz MJQLMSLQXSSIGV-NSHDSACASA-N 2 2 334.348 4.114 20 0 EIADLP C[C@H]1CCC[N@H+]1CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000925177029 1029108134 /nfs/dbraw/zinc/10/81/34/1029108134.db2.gz MJQLMSLQXSSIGV-NSHDSACASA-N 2 2 334.348 4.114 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000151121106 1029114680 /nfs/dbraw/zinc/11/46/80/1029114680.db2.gz SIQLHJJPZGNPNY-SFHVURJKSA-N 2 2 335.451 4.203 20 0 EIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151136342 1029144089 /nfs/dbraw/zinc/14/40/89/1029144089.db2.gz ODNRXOIWLIUZNA-AWEZNQCLSA-N 2 2 329.444 4.492 20 0 EIADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000343438754 1029250314 /nfs/dbraw/zinc/25/03/14/1029250314.db2.gz FXLQQRWCYMXFQY-WOJBJXKFSA-N 2 2 346.478 4.392 20 0 EIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc2c(s1)CCC2 ZINC000151335467 1029483212 /nfs/dbraw/zinc/48/32/12/1029483212.db2.gz KFHQEYPFSFEXDN-OAHLLOKOSA-N 2 2 337.492 4.332 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151366782 1029489862 /nfs/dbraw/zinc/48/98/62/1029489862.db2.gz AWQAESVNQQBWIT-QVKFZJNVSA-N 2 2 335.426 4.094 20 0 EIADLP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000475345423 1029559245 /nfs/dbraw/zinc/55/92/45/1029559245.db2.gz APOQYJULWJSIOR-KTQJEEDSSA-N 2 2 332.454 4.206 20 0 EIADLP CCc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)o2)cc1 ZINC000525289853 1029559425 /nfs/dbraw/zinc/55/94/25/1029559425.db2.gz YHGIDZBWKAWROU-GOSISDBHSA-N 2 2 335.451 4.373 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H](C)C1 ZINC000475347950 1029563734 /nfs/dbraw/zinc/56/37/34/1029563734.db2.gz SNPUSIPGNGYPNF-JFOVZFFPSA-N 2 2 332.454 4.206 20 0 EIADLP C[C@@H]1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H](C)C1 ZINC000475347952 1029564056 /nfs/dbraw/zinc/56/40/56/1029564056.db2.gz SNPUSIPGNGYPNF-SCQRFTTHSA-N 2 2 332.454 4.206 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000446841106 1029605073 /nfs/dbraw/zinc/60/50/73/1029605073.db2.gz MBYKNCKGVHTPBK-UXLLHSPISA-N 2 2 326.406 4.205 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000446841106 1029605079 /nfs/dbraw/zinc/60/50/79/1029605079.db2.gz MBYKNCKGVHTPBK-UXLLHSPISA-N 2 2 326.406 4.205 20 0 EIADLP C[C@H]1CC([NH+]2CCC3(CCCO3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065139 1029641014 /nfs/dbraw/zinc/64/10/14/1029641014.db2.gz UBQYTUAVEOTJOY-OALUTQOASA-N 2 2 342.527 4.073 20 0 EIADLP Fc1ccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)cc[nH+]c2c1 ZINC000080948875 1029765323 /nfs/dbraw/zinc/76/53/23/1029765323.db2.gz DIKIOOWJAGMICV-UHFFFAOYSA-N 2 2 332.382 4.231 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000092071784 1029900180 /nfs/dbraw/zinc/90/01/80/1029900180.db2.gz BCQXMTYGFARYCR-KRWDZBQOSA-N 2 2 325.456 4.111 20 0 EIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000092071784 1029900210 /nfs/dbraw/zinc/90/02/10/1029900210.db2.gz BCQXMTYGFARYCR-KRWDZBQOSA-N 2 2 325.456 4.111 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409808 1030207705 /nfs/dbraw/zinc/20/77/05/1030207705.db2.gz PORTUTNPHCYCOM-GDBMZVCRSA-N 2 2 329.513 4.334 20 0 EIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000623409808 1030207726 /nfs/dbraw/zinc/20/77/26/1030207726.db2.gz PORTUTNPHCYCOM-GDBMZVCRSA-N 2 2 329.513 4.334 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139038 1030337389 /nfs/dbraw/zinc/33/73/89/1030337389.db2.gz LQHVYDXNLADJGO-GCJKJVERSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139038 1030337403 /nfs/dbraw/zinc/33/74/03/1030337403.db2.gz LQHVYDXNLADJGO-GCJKJVERSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139038 1030337419 /nfs/dbraw/zinc/33/74/19/1030337419.db2.gz LQHVYDXNLADJGO-GCJKJVERSA-N 2 2 337.511 4.183 20 0 EIADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000187139038 1030337437 /nfs/dbraw/zinc/33/74/37/1030337437.db2.gz LQHVYDXNLADJGO-GCJKJVERSA-N 2 2 337.511 4.183 20 0 EIADLP CC(C)(C)c1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000685459605 1030358007 /nfs/dbraw/zinc/35/80/07/1030358007.db2.gz PNVDFXKBLBUSMR-UHFFFAOYSA-N 2 2 346.544 4.330 20 0 EIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)c[nH+]1 ZINC000190749629 1030582773 /nfs/dbraw/zinc/58/27/73/1030582773.db2.gz GVIZXOASMOORNJ-UHFFFAOYSA-N 2 2 347.462 4.010 20 0 EIADLP CCOC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000657930694 1030623545 /nfs/dbraw/zinc/62/35/45/1030623545.db2.gz KASIYNOBKGYTCI-GZNCHQMQSA-N 2 2 341.499 4.179 20 0 EIADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000685662179 1030658628 /nfs/dbraw/zinc/65/86/28/1030658628.db2.gz WKQOHABCESQQLN-GJZGRUSLSA-N 2 2 337.389 4.417 20 0 EIADLP CC[N@@H+](Cc1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530757294 1030705548 /nfs/dbraw/zinc/70/55/48/1030705548.db2.gz WTZQUQFMISWZGF-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP CC[N@H+](Cc1cc(F)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000530757294 1030705570 /nfs/dbraw/zinc/70/55/70/1030705570.db2.gz WTZQUQFMISWZGF-UHFFFAOYSA-N 2 2 345.437 4.098 20 0 EIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527662425 1030804437 /nfs/dbraw/zinc/80/44/37/1030804437.db2.gz QBXADSJXKZODIO-OAHLLOKOSA-N 2 2 329.875 4.050 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000658092364 1030821709 /nfs/dbraw/zinc/82/17/09/1030821709.db2.gz PZICLRLSLHPNAI-KKUMJFAQSA-N 2 2 331.529 4.251 20 0 EIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000658092364 1030821711 /nfs/dbraw/zinc/82/17/11/1030821711.db2.gz PZICLRLSLHPNAI-KKUMJFAQSA-N 2 2 331.529 4.251 20 0 EIADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC000527750963 1030843194 /nfs/dbraw/zinc/84/31/94/1030843194.db2.gz CVWDJLFUGVCPSN-QFUCXCTJSA-N 2 2 327.516 4.104 20 0 EIADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC000527750963 1030843199 /nfs/dbraw/zinc/84/31/99/1030843199.db2.gz CVWDJLFUGVCPSN-QFUCXCTJSA-N 2 2 327.516 4.104 20 0 EIADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945387 1030960876 /nfs/dbraw/zinc/96/08/76/1030960876.db2.gz GIOUFDJWISPOSZ-BIXGBWIQSA-N 2 2 334.548 4.253 20 0 EIADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527945387 1030960902 /nfs/dbraw/zinc/96/09/02/1030960902.db2.gz GIOUFDJWISPOSZ-BIXGBWIQSA-N 2 2 334.548 4.253 20 0 EIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000340363622 1031210489 /nfs/dbraw/zinc/21/04/89/1031210489.db2.gz IVZANWZBRQSDOL-PWIZWCRZSA-N 2 2 340.442 4.074 20 0 EIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C[C@@H]1c1ccccc1 ZINC000340363622 1031210511 /nfs/dbraw/zinc/21/05/11/1031210511.db2.gz IVZANWZBRQSDOL-PWIZWCRZSA-N 2 2 340.442 4.074 20 0 EIADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000449073747 1031429960 /nfs/dbraw/zinc/42/99/60/1031429960.db2.gz NXXPVHQLUJBPFS-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000449077622 1031435055 /nfs/dbraw/zinc/43/50/55/1031435055.db2.gz SDDFCRNMYGZQJG-FUHWJXTLSA-N 2 2 343.902 4.341 20 0 EIADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000449096833 1031441160 /nfs/dbraw/zinc/44/11/60/1031441160.db2.gz JUVDVZHPGWYVMD-UHFFFAOYSA-N 3 2 349.607 4.272 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000531701644 1031486112 /nfs/dbraw/zinc/48/61/12/1031486112.db2.gz AWQRCYWIGARSLR-CZUORRHYSA-N 2 2 348.288 4.264 20 0 EIADLP C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000449167359 1031507942 /nfs/dbraw/zinc/50/79/42/1031507942.db2.gz JPHREKGBNGRVCE-MRXNPFEDSA-N 2 2 335.455 4.035 20 0 EIADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000453062548 1031555583 /nfs/dbraw/zinc/55/55/83/1031555583.db2.gz UHOXVKAOYZCWOW-UGKGYDQZSA-N 2 2 337.511 4.220 20 0 EIADLP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000125180274 1031577829 /nfs/dbraw/zinc/57/78/29/1031577829.db2.gz FXXXIIPABASKQC-ZWKOTPCHSA-N 2 2 340.515 4.340 20 0 EIADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000449349417 1031645703 /nfs/dbraw/zinc/64/57/03/1031645703.db2.gz JGHZQASKTPISLF-SFHVURJKSA-N 2 2 345.418 4.379 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)[NH+]1CCCCC1 ZINC000453196602 1031707245 /nfs/dbraw/zinc/70/72/45/1031707245.db2.gz QXGGJHUJAMSZOV-MSOLQXFVSA-N 2 2 340.515 4.002 20 0 EIADLP C[N@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000459324986 1031815831 /nfs/dbraw/zinc/81/58/31/1031815831.db2.gz LKPJTCDMFVANKY-UHFFFAOYSA-N 2 2 349.522 4.098 20 0 EIADLP C[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000459324986 1031815833 /nfs/dbraw/zinc/81/58/33/1031815833.db2.gz LKPJTCDMFVANKY-UHFFFAOYSA-N 2 2 349.522 4.098 20 0 EIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ncccc1F ZINC000528828574 1031869501 /nfs/dbraw/zinc/86/95/01/1031869501.db2.gz YXFBEDYUMUGWQO-INIZCTEOSA-N 2 2 327.447 4.057 20 0 EIADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000193431161 1032048247 /nfs/dbraw/zinc/04/82/47/1032048247.db2.gz SCQMKIKEOFCBHW-DYESRHJHSA-N 2 2 335.451 4.301 20 0 EIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152111454 1033523953 /nfs/dbraw/zinc/52/39/53/1033523953.db2.gz JSIOFPVMDQPUOS-MSOLQXFVSA-N 2 2 349.478 4.222 20 0 EIADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000513406225 1034919913 /nfs/dbraw/zinc/91/99/13/1034919913.db2.gz OKUZVLNIOWZRMC-QGZVFWFLSA-N 2 2 335.561 4.355 20 0 EIADLP CC(C)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000513406225 1034919924 /nfs/dbraw/zinc/91/99/24/1034919924.db2.gz OKUZVLNIOWZRMC-QGZVFWFLSA-N 2 2 335.561 4.355 20 0 EIADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000280173410 1035196277 /nfs/dbraw/zinc/19/62/77/1035196277.db2.gz GDQCIWMLYKYNMB-YLJYHZDGSA-N 2 2 339.458 4.115 20 0 EIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034124 1035360478 /nfs/dbraw/zinc/36/04/78/1035360478.db2.gz XFANUHDJSQYXHE-ZFWWWQNUSA-N 2 2 337.389 4.412 20 0 EIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000501034124 1035360480 /nfs/dbraw/zinc/36/04/80/1035360480.db2.gz XFANUHDJSQYXHE-ZFWWWQNUSA-N 2 2 337.389 4.412 20 0 EIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286942 1035499682 /nfs/dbraw/zinc/49/96/82/1035499682.db2.gz HCJSHYBLDLHBQC-RBOXIYTFSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1nc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000420286942 1035499684 /nfs/dbraw/zinc/49/96/84/1035499684.db2.gz HCJSHYBLDLHBQC-RBOXIYTFSA-N 2 2 333.863 4.034 20 0 EIADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000195439075 1035844067 /nfs/dbraw/zinc/84/40/67/1035844067.db2.gz RSFOYZYDIDGMHP-UHFFFAOYSA-N 2 2 329.806 4.263 20 0 EIADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323846 1036078560 /nfs/dbraw/zinc/07/85/60/1036078560.db2.gz XYSWYRIIIYWAFW-ICSRJNTNSA-N 2 2 337.511 4.278 20 0 EIADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323846 1036078587 /nfs/dbraw/zinc/07/85/87/1036078587.db2.gz XYSWYRIIIYWAFW-ICSRJNTNSA-N 2 2 337.511 4.278 20 0 EIADLP C/C(=C/c1ccccc1)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000588177683 1036285488 /nfs/dbraw/zinc/28/54/88/1036285488.db2.gz YGEIZSKMBCMOBJ-SDXDJHTJSA-N 2 2 330.541 4.041 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421895412 1036846265 /nfs/dbraw/zinc/84/62/65/1036846265.db2.gz YNFDDSIUZLYAIH-NVXWUHKLSA-N 2 2 327.497 4.056 20 0 EIADLP CC1CC[NH+]([C@@H](C[NH2+]C/C=C/c2ccncc2)c2ccccc2)CC1 ZINC000486957903 1036920501 /nfs/dbraw/zinc/92/05/01/1036920501.db2.gz NADDBXILTIEZLN-BDNZGDGKSA-N 2 2 335.495 4.158 20 0 EIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C/C=C/c1ccncc1 ZINC000487283007 1037096692 /nfs/dbraw/zinc/09/66/92/1037096692.db2.gz XJLPMIQZJCEQBK-WMWRJIBUSA-N 2 2 349.522 4.157 20 0 EIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C/C=C/c1ccncc1 ZINC000487283007 1037096705 /nfs/dbraw/zinc/09/67/05/1037096705.db2.gz XJLPMIQZJCEQBK-WMWRJIBUSA-N 2 2 349.522 4.157 20 0 EIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000272594238 1037236805 /nfs/dbraw/zinc/23/68/05/1037236805.db2.gz SMUDCYFCSSILPB-UHFFFAOYSA-N 2 2 334.451 4.032 20 0 EIADLP CC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272584175 1037240289 /nfs/dbraw/zinc/24/02/89/1037240289.db2.gz QWOTVEMSMCWQAG-OAHLLOKOSA-N 2 2 328.422 4.187 20 0 EIADLP CC1([NH3+])CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000647924780 1037338821 /nfs/dbraw/zinc/33/88/21/1037338821.db2.gz JRKZGZGFVMEAIH-UHFFFAOYSA-N 2 2 332.394 4.070 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)n2c1CCCC2 ZINC000669714388 1037359674 /nfs/dbraw/zinc/35/96/74/1037359674.db2.gz ACZJSZZPMNJENV-FQEVSTJZSA-N 2 2 346.478 4.147 20 0 EIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)n2c1CCCC2 ZINC000669714388 1037359690 /nfs/dbraw/zinc/35/96/90/1037359690.db2.gz ACZJSZZPMNJENV-FQEVSTJZSA-N 2 2 346.478 4.147 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000273104385 1037362451 /nfs/dbraw/zinc/36/24/51/1037362451.db2.gz VFIIPRQMPDLMHB-QGZVFWFLSA-N 2 2 335.451 4.099 20 0 EIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ccccc21 ZINC000422711480 1037804360 /nfs/dbraw/zinc/80/43/60/1037804360.db2.gz NESNNARUBIRPFE-DHIUTWEWSA-N 3 2 349.522 4.297 20 0 EIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ccccc21 ZINC000422711485 1037804601 /nfs/dbraw/zinc/80/46/01/1037804601.db2.gz NESNNARUBIRPFE-GOTSBHOMSA-N 3 2 349.522 4.297 20 0 EIADLP CSc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)c(F)c2)c1 ZINC000422784914 1037832153 /nfs/dbraw/zinc/83/21/53/1037832153.db2.gz JBZILCITLNXQHQ-IBGZPJMESA-N 2 2 348.462 4.118 20 0 EIADLP C[C@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422866261 1037849596 /nfs/dbraw/zinc/84/95/96/1037849596.db2.gz PZCZUEWCWWGJHW-PGRDOPGGSA-N 2 2 338.495 4.024 20 0 EIADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(O[C@H](C)CC(C)C)c1 ZINC000422872854 1037859106 /nfs/dbraw/zinc/85/91/06/1037859106.db2.gz IWDHQQBVGGVPJM-IAGOWNOFSA-N 2 2 341.499 4.467 20 0 EIADLP CCOc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2cccc(Cl)c2)cc1 ZINC000423003501 1037897421 /nfs/dbraw/zinc/89/74/21/1037897421.db2.gz MJEABTYSQOPUHV-VLIAUNLRSA-N 2 2 344.886 4.026 20 0 EIADLP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423197989 1038049068 /nfs/dbraw/zinc/04/90/68/1038049068.db2.gz CKVVVRLQSUKIAX-KRWDZBQOSA-N 2 2 340.364 4.133 20 0 EIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423249429 1038079302 /nfs/dbraw/zinc/07/93/02/1038079302.db2.gz TURPBHRMLRMMFX-YCPHGPKFSA-N 2 2 325.481 4.078 20 0 EIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H](C)c1nc2ccccc2s1 ZINC000423249426 1038082399 /nfs/dbraw/zinc/08/23/99/1038082399.db2.gz TURPBHRMLRMMFX-DZKIICNBSA-N 2 2 325.481 4.078 20 0 EIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423271885 1038098954 /nfs/dbraw/zinc/09/89/54/1038098954.db2.gz YHNMTLQVNVFZNO-WMLDXEAASA-N 2 2 331.529 4.066 20 0 EIADLP c1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc3ccccc3n2)cc1 ZINC000423377518 1038188370 /nfs/dbraw/zinc/18/83/70/1038188370.db2.gz YWDNWRXQYDGFGX-DENIHFKCSA-N 2 2 331.463 4.056 20 0 EIADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000423502095 1038256919 /nfs/dbraw/zinc/25/69/19/1038256919.db2.gz LTUZUQCJTBSEJY-MGPUTAFESA-N 2 2 325.456 4.042 20 0 EIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423504046 1038258178 /nfs/dbraw/zinc/25/81/78/1038258178.db2.gz NILZPLGSUOQOIL-CNBHCMJISA-N 2 2 330.516 4.109 20 0 EIADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000490168743 1038365904 /nfs/dbraw/zinc/36/59/04/1038365904.db2.gz ZDVKTVFJWGXNBS-LJQANCHMSA-N 2 2 343.833 4.363 20 0 EIADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490296176 1038449308 /nfs/dbraw/zinc/44/93/08/1038449308.db2.gz DAIDTGWHCNMIOH-QWHCGFSZSA-N 2 2 334.261 4.113 20 0 EIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608068901 1038485574 /nfs/dbraw/zinc/48/55/74/1038485574.db2.gz KQUIPDLHJMNIDF-LZQZEXGQSA-N 2 2 335.451 4.210 20 0 EIADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000608071842 1038486675 /nfs/dbraw/zinc/48/66/75/1038486675.db2.gz KERIMTAJZVYHCO-HNNXBMFYSA-N 2 2 331.872 4.209 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000424162227 1038697992 /nfs/dbraw/zinc/69/79/92/1038697992.db2.gz WQOPITHUXGZLFX-KRWDZBQOSA-N 2 2 326.488 4.451 20 0 EIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000424162227 1038698002 /nfs/dbraw/zinc/69/80/02/1038698002.db2.gz WQOPITHUXGZLFX-KRWDZBQOSA-N 2 2 326.488 4.451 20 0 EIADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000480764386 1038789668 /nfs/dbraw/zinc/78/96/68/1038789668.db2.gz AJPAGJBPMYQCQZ-FQEVSTJZSA-N 2 2 342.527 4.012 20 0 EIADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000480764386 1038789686 /nfs/dbraw/zinc/78/96/86/1038789686.db2.gz AJPAGJBPMYQCQZ-FQEVSTJZSA-N 2 2 342.527 4.012 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000480756798 1038798352 /nfs/dbraw/zinc/79/83/52/1038798352.db2.gz AGDNEUYGKWAXCY-WMLDXEAASA-N 2 2 328.422 4.218 20 0 EIADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480756798 1038798376 /nfs/dbraw/zinc/79/83/76/1038798376.db2.gz AGDNEUYGKWAXCY-WMLDXEAASA-N 2 2 328.422 4.218 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000480757526 1038800208 /nfs/dbraw/zinc/80/02/08/1038800208.db2.gz LUIRLQWZTIHAHY-FRRDWIJNSA-N 2 2 342.270 4.024 20 0 EIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000424310037 1038815274 /nfs/dbraw/zinc/81/52/74/1038815274.db2.gz IZPNGLMIOJMCJL-AWEZNQCLSA-N 2 2 336.907 4.406 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000119305336 1038882750 /nfs/dbraw/zinc/88/27/50/1038882750.db2.gz MNUWJCRYMRCFJY-QUCCMNQESA-N 2 2 329.532 4.098 20 0 EIADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000119305336 1038882763 /nfs/dbraw/zinc/88/27/63/1038882763.db2.gz MNUWJCRYMRCFJY-QUCCMNQESA-N 2 2 329.532 4.098 20 0 EIADLP C[N@H+](CC1=Cc2ccccc2OC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119320490 1038885230 /nfs/dbraw/zinc/88/52/30/1038885230.db2.gz JSSNQDDNBSPDCV-UHFFFAOYSA-N 2 2 348.490 4.059 20 0 EIADLP C[N@@H+](CC1=Cc2ccccc2OC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119320490 1038885231 /nfs/dbraw/zinc/88/52/31/1038885231.db2.gz JSSNQDDNBSPDCV-UHFFFAOYSA-N 2 2 348.490 4.059 20 0 EIADLP CCCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000537617815 1038938394 /nfs/dbraw/zinc/93/83/94/1038938394.db2.gz DZBZULXDYXTMOJ-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000537617815 1038938432 /nfs/dbraw/zinc/93/84/32/1038938432.db2.gz DZBZULXDYXTMOJ-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000537617815 1038938475 /nfs/dbraw/zinc/93/84/75/1038938475.db2.gz DZBZULXDYXTMOJ-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000537617815 1038938512 /nfs/dbraw/zinc/93/85/12/1038938512.db2.gz DZBZULXDYXTMOJ-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP COc1ccc(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000481052720 1038996278 /nfs/dbraw/zinc/99/62/78/1038996278.db2.gz QPMMNEUCMLUBJA-QGZVFWFLSA-N 2 2 335.451 4.164 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000090667888 1039276917 /nfs/dbraw/zinc/27/69/17/1039276917.db2.gz FSHNABXDQIDQJL-CABCVRRESA-N 2 2 345.437 4.236 20 0 EIADLP Clc1ccc(C2CCC([NH2+]CCOc3cc[nH+]cc3)CC2)cc1 ZINC001168340632 1039288815 /nfs/dbraw/zinc/28/88/15/1039288815.db2.gz AHPMLKAVTKOIAL-UHFFFAOYSA-N 2 2 330.859 4.430 20 0 EIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000550795756 1039305800 /nfs/dbraw/zinc/30/58/00/1039305800.db2.gz KKCKKFYSXCRPIY-IEBWSBKVSA-N 2 2 332.850 4.404 20 0 EIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C[C@@H]1c1ccccc1 ZINC000550795756 1039305818 /nfs/dbraw/zinc/30/58/18/1039305818.db2.gz KKCKKFYSXCRPIY-IEBWSBKVSA-N 2 2 332.850 4.404 20 0 EIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036899 1039341523 /nfs/dbraw/zinc/34/15/23/1039341523.db2.gz WHUFFSGJZUONKS-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036899 1039341541 /nfs/dbraw/zinc/34/15/41/1039341541.db2.gz WHUFFSGJZUONKS-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036899 1039341557 /nfs/dbraw/zinc/34/15/57/1039341557.db2.gz WHUFFSGJZUONKS-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000478036899 1039341576 /nfs/dbraw/zinc/34/15/76/1039341576.db2.gz WHUFFSGJZUONKS-GJZGRUSLSA-N 2 2 339.321 4.174 20 0 EIADLP c1coc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)c1 ZINC000121365429 1039369262 /nfs/dbraw/zinc/36/92/62/1039369262.db2.gz BRZCDJCBAJKFMB-NRFANRHFSA-N 2 2 333.435 4.023 20 0 EIADLP c1cn(C2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)c[nH+]1 ZINC000092648687 1039575122 /nfs/dbraw/zinc/57/51/22/1039575122.db2.gz VVQDSSSLKKNXCW-UHFFFAOYSA-N 2 2 347.462 4.299 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000514118245 1039647652 /nfs/dbraw/zinc/64/76/52/1039647652.db2.gz GSQRMIMSICQAMT-IBGZPJMESA-N 2 2 345.490 4.464 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000514118245 1039647671 /nfs/dbraw/zinc/64/76/71/1039647671.db2.gz GSQRMIMSICQAMT-IBGZPJMESA-N 2 2 345.490 4.464 20 0 EIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000414848155 1039677154 /nfs/dbraw/zinc/67/71/54/1039677154.db2.gz PRUQKHXCFKDHTR-GOSISDBHSA-N 2 2 340.496 4.051 20 0 EIADLP c1csc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000093683696 1039729824 /nfs/dbraw/zinc/72/98/24/1039729824.db2.gz NNJIDXQECXVNNH-OAHLLOKOSA-N 2 2 347.553 4.179 20 0 EIADLP c1csc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000093683696 1039729842 /nfs/dbraw/zinc/72/98/42/1039729842.db2.gz NNJIDXQECXVNNH-OAHLLOKOSA-N 2 2 347.553 4.179 20 0 EIADLP Fc1ccc(Cl)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434674189 1039808186 /nfs/dbraw/zinc/80/81/86/1039808186.db2.gz HWUNSNGJHHSNRJ-UHFFFAOYSA-N 2 2 347.865 4.392 20 0 EIADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688545 1039813282 /nfs/dbraw/zinc/81/32/82/1039813282.db2.gz NHYHLTVELCVWHO-CQSZACIVSA-N 2 2 345.437 4.438 20 0 EIADLP Cc1cccc(C)c1OCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861569 1039828217 /nfs/dbraw/zinc/82/82/17/1039828217.db2.gz TZCOBZCDTROUOB-UHFFFAOYSA-N 2 2 339.483 4.044 20 0 EIADLP FC(F)(F)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534862687 1039830469 /nfs/dbraw/zinc/83/04/69/1039830469.db2.gz OIYLYWQIDHYLLY-UHFFFAOYSA-N 2 2 335.373 4.177 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Br)c1 ZINC000157753207 1039861573 /nfs/dbraw/zinc/86/15/73/1039861573.db2.gz SANGTPFAFTVEIX-UHFFFAOYSA-N 2 2 339.321 4.110 20 0 EIADLP CC[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660728 1039874591 /nfs/dbraw/zinc/87/45/91/1039874591.db2.gz JCVURHKUGJEMCO-KRWDZBQOSA-N 2 2 332.875 4.277 20 0 EIADLP CC[N@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660728 1039874594 /nfs/dbraw/zinc/87/45/94/1039874594.db2.gz JCVURHKUGJEMCO-KRWDZBQOSA-N 2 2 332.875 4.277 20 0 EIADLP CC[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660728 1039874598 /nfs/dbraw/zinc/87/45/98/1039874598.db2.gz JCVURHKUGJEMCO-KRWDZBQOSA-N 2 2 332.875 4.277 20 0 EIADLP CC[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660728 1039874605 /nfs/dbraw/zinc/87/46/05/1039874605.db2.gz JCVURHKUGJEMCO-KRWDZBQOSA-N 2 2 332.875 4.277 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CCC2 ZINC000551050430 1039906728 /nfs/dbraw/zinc/90/67/28/1039906728.db2.gz IRQJTVSDRVEKBT-IEBWSBKVSA-N 2 2 343.902 4.333 20 0 EIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000482141074 1040030455 /nfs/dbraw/zinc/03/04/55/1040030455.db2.gz XYTJVGXHGXIBMX-AUJRIZCKSA-N 2 2 341.474 4.158 20 0 EIADLP CC[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000643498969 1040060313 /nfs/dbraw/zinc/06/03/13/1040060313.db2.gz DGARVSXTCOKVLI-NRFANRHFSA-N 2 2 337.442 4.053 20 0 EIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(OC4CCCC4)cc3)cc2)c[nH+]1 ZINC000551233545 1040081210 /nfs/dbraw/zinc/08/12/10/1040081210.db2.gz YLVRBAPWNANOTP-UHFFFAOYSA-N 2 2 347.462 4.484 20 0 EIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246122 1040094378 /nfs/dbraw/zinc/09/43/78/1040094378.db2.gz KFLUUELSKIQRLP-MSYGRNIXSA-N 2 2 349.522 4.075 20 0 EIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551246122 1040094389 /nfs/dbraw/zinc/09/43/89/1040094389.db2.gz KFLUUELSKIQRLP-MSYGRNIXSA-N 2 2 349.522 4.075 20 0 EIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000482242173 1040101752 /nfs/dbraw/zinc/10/17/52/1040101752.db2.gz KBXKFUSPARAVCW-CQSZACIVSA-N 2 2 333.863 4.287 20 0 EIADLP CCC1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000482513126 1040320397 /nfs/dbraw/zinc/32/03/97/1040320397.db2.gz RKYXSTPZSAPZSJ-OXKPJDFFSA-N 2 2 329.532 4.098 20 0 EIADLP CCC1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000482513126 1040320410 /nfs/dbraw/zinc/32/04/10/1040320410.db2.gz RKYXSTPZSAPZSJ-OXKPJDFFSA-N 2 2 329.532 4.098 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497607 1040399435 /nfs/dbraw/zinc/39/94/35/1040399435.db2.gz ILIGGLLFGYPNPH-YWZLYKJASA-N 2 2 348.450 4.148 20 0 EIADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497607 1040399450 /nfs/dbraw/zinc/39/94/50/1040399450.db2.gz ILIGGLLFGYPNPH-YWZLYKJASA-N 2 2 348.450 4.148 20 0 EIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000482649431 1040407197 /nfs/dbraw/zinc/40/71/97/1040407197.db2.gz QGAYJAOPQZNDAS-OAQYLSRUSA-N 2 2 346.559 4.123 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000482778024 1040484231 /nfs/dbraw/zinc/48/42/31/1040484231.db2.gz IYZPOEBHLVHEIV-KDOFPFPSSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000482778024 1040484244 /nfs/dbraw/zinc/48/42/44/1040484244.db2.gz IYZPOEBHLVHEIV-KDOFPFPSSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778024 1040484250 /nfs/dbraw/zinc/48/42/50/1040484250.db2.gz IYZPOEBHLVHEIV-KDOFPFPSSA-N 2 2 336.907 4.043 20 0 EIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC2CC2)CC[NH+]1C ZINC000482778024 1040484263 /nfs/dbraw/zinc/48/42/63/1040484263.db2.gz IYZPOEBHLVHEIV-KDOFPFPSSA-N 2 2 336.907 4.043 20 0 EIADLP CC(C)C[N@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000551776147 1040577012 /nfs/dbraw/zinc/57/70/12/1040577012.db2.gz XMHUBSJSIHQWOJ-UHFFFAOYSA-N 2 2 339.321 4.001 20 0 EIADLP CC(C)C[N@@H+](Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000551776147 1040577042 /nfs/dbraw/zinc/57/70/42/1040577042.db2.gz XMHUBSJSIHQWOJ-UHFFFAOYSA-N 2 2 339.321 4.001 20 0 EIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000462486752 1040649789 /nfs/dbraw/zinc/64/97/89/1040649789.db2.gz RKYRBEYZKMVGIX-QGZVFWFLSA-N 2 2 332.451 4.185 20 0 EIADLP Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000539660053 1040663665 /nfs/dbraw/zinc/66/36/65/1040663665.db2.gz SSRCGBNKODIHDR-XLIONFOSSA-N 2 2 338.499 4.012 20 0 EIADLP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668227008 1040783027 /nfs/dbraw/zinc/78/30/27/1040783027.db2.gz ZAGDUZIEWDCNRJ-FQEVSTJZSA-N 2 2 336.414 4.052 20 0 EIADLP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668227008 1040783040 /nfs/dbraw/zinc/78/30/40/1040783040.db2.gz ZAGDUZIEWDCNRJ-FQEVSTJZSA-N 2 2 336.414 4.052 20 0 EIADLP CCCCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000539818836 1040810872 /nfs/dbraw/zinc/81/08/72/1040810872.db2.gz BGXVRPAHYFSAAE-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000539818836 1040810879 /nfs/dbraw/zinc/81/08/79/1040810879.db2.gz BGXVRPAHYFSAAE-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000539818836 1040810887 /nfs/dbraw/zinc/81/08/87/1040810887.db2.gz BGXVRPAHYFSAAE-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP CCCCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000539818836 1040810891 /nfs/dbraw/zinc/81/08/91/1040810891.db2.gz BGXVRPAHYFSAAE-HKUYNNGSSA-N 2 2 348.531 4.179 20 0 EIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237505876 1040847592 /nfs/dbraw/zinc/84/75/92/1040847592.db2.gz CYMNLTHZUBYKHR-ZDUSSCGKSA-N 2 2 332.460 4.090 20 0 EIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000237505876 1040847595 /nfs/dbraw/zinc/84/75/95/1040847595.db2.gz CYMNLTHZUBYKHR-ZDUSSCGKSA-N 2 2 332.460 4.090 20 0 EIADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C(F)(F)F ZINC000483441385 1040861866 /nfs/dbraw/zinc/86/18/66/1040861866.db2.gz OIVWUCAGRVHTKJ-MRXNPFEDSA-N 2 2 337.389 4.283 20 0 EIADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C(F)(F)F ZINC000483441385 1040861871 /nfs/dbraw/zinc/86/18/71/1040861871.db2.gz OIVWUCAGRVHTKJ-MRXNPFEDSA-N 2 2 337.389 4.283 20 0 EIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1)CCC2 ZINC000483444493 1040861983 /nfs/dbraw/zinc/86/19/83/1040861983.db2.gz FTLSARLIGQGWIN-PKOBYXMFSA-N 2 2 341.499 4.455 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000480082870 1040939260 /nfs/dbraw/zinc/93/92/60/1040939260.db2.gz GTIQOVXBTMSKJN-WMZOPIPTSA-N 2 2 334.504 4.009 20 0 EIADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000480082870 1040939273 /nfs/dbraw/zinc/93/92/73/1040939273.db2.gz GTIQOVXBTMSKJN-WMZOPIPTSA-N 2 2 334.504 4.009 20 0 EIADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000462823693 1041005638 /nfs/dbraw/zinc/00/56/38/1041005638.db2.gz WLCOTEHJEJKZBN-SOUVJXGZSA-N 2 2 347.503 4.473 20 0 EIADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000462823692 1041006698 /nfs/dbraw/zinc/00/66/98/1041006698.db2.gz WLCOTEHJEJKZBN-RRFJBIMHSA-N 2 2 347.503 4.473 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cn1 ZINC000480164276 1041022399 /nfs/dbraw/zinc/02/23/99/1041022399.db2.gz GGHCBKBNGMODJF-TXPKVOOTSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cn1 ZINC000480164276 1041022406 /nfs/dbraw/zinc/02/24/06/1041022406.db2.gz GGHCBKBNGMODJF-TXPKVOOTSA-N 2 2 343.902 4.296 20 0 EIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](c1cccnc1)C(C)C)c1ccccc1 ZINC000538060561 1041031260 /nfs/dbraw/zinc/03/12/60/1041031260.db2.gz NNKYZICGTMYVAD-LEWJYISDSA-N 2 2 325.500 4.451 20 0 EIADLP COc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000538100913 1041040614 /nfs/dbraw/zinc/04/06/14/1041040614.db2.gz LBDLCJJAHCGXKI-NRFANRHFSA-N 2 2 333.435 4.122 20 0 EIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899271 1041080648 /nfs/dbraw/zinc/08/06/48/1041080648.db2.gz XLEDDHJSCARDBR-HUUCEWRRSA-N 2 2 347.503 4.332 20 0 EIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000462899271 1041080669 /nfs/dbraw/zinc/08/06/69/1041080669.db2.gz XLEDDHJSCARDBR-HUUCEWRRSA-N 2 2 347.503 4.332 20 0 EIADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C)c3ccc(C)cc3[nH+]2)C1 ZINC000460956252 1041084667 /nfs/dbraw/zinc/08/46/67/1041084667.db2.gz AQMVEOYUXRXUJA-QGZVFWFLSA-N 2 2 334.467 4.452 20 0 EIADLP CCCC[C@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000540152696 1041200663 /nfs/dbraw/zinc/20/06/63/1041200663.db2.gz MMTZMZHCKYQMSD-QUCCMNQESA-N 2 2 329.488 4.036 20 0 EIADLP Cc1cc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)ccc1F ZINC000540154218 1041204343 /nfs/dbraw/zinc/20/43/43/1041204343.db2.gz OYKMDJDDVMAESI-OAQYLSRUSA-N 2 2 339.458 4.239 20 0 EIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281744 1041241215 /nfs/dbraw/zinc/24/12/15/1041241215.db2.gz QZMQVQWVJGAKCW-VQIMIIECSA-N 2 2 349.950 4.102 20 0 EIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281744 1041241227 /nfs/dbraw/zinc/24/12/27/1041241227.db2.gz QZMQVQWVJGAKCW-VQIMIIECSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281744 1041241237 /nfs/dbraw/zinc/24/12/37/1041241237.db2.gz QZMQVQWVJGAKCW-VQIMIIECSA-N 2 2 349.950 4.102 20 0 EIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)[C@H](C)C1 ZINC000538281744 1041241241 /nfs/dbraw/zinc/24/12/41/1041241241.db2.gz QZMQVQWVJGAKCW-VQIMIIECSA-N 2 2 349.950 4.102 20 0 EIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(C)(C)C)cc1 ZINC000463030249 1041268284 /nfs/dbraw/zinc/26/82/84/1041268284.db2.gz RZPAIPGVVRXDKV-INIZCTEOSA-N 2 2 327.472 4.412 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000538553352 1041417171 /nfs/dbraw/zinc/41/71/71/1041417171.db2.gz DYUMVGSMGUDSCJ-DYESRHJHSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000538553352 1041417173 /nfs/dbraw/zinc/41/71/73/1041417173.db2.gz DYUMVGSMGUDSCJ-DYESRHJHSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000538553356 1041417615 /nfs/dbraw/zinc/41/76/15/1041417615.db2.gz DYUMVGSMGUDSCJ-UTKZUKDTSA-N 2 2 338.470 4.458 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000538553356 1041417623 /nfs/dbraw/zinc/41/76/23/1041417623.db2.gz DYUMVGSMGUDSCJ-UTKZUKDTSA-N 2 2 338.470 4.458 20 0 EIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000463246419 1041451414 /nfs/dbraw/zinc/45/14/14/1041451414.db2.gz BZNIBSRSYZRUAN-UHFFFAOYSA-N 2 2 340.433 4.461 20 0 EIADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000516218497 1041458003 /nfs/dbraw/zinc/45/80/03/1041458003.db2.gz CBAVSCOKIOVHRJ-ZHRRBRCNSA-N 2 2 349.453 4.484 20 0 EIADLP Fc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)cc1 ZINC000480722862 1041489624 /nfs/dbraw/zinc/48/96/24/1041489624.db2.gz KYCWXRYUQPNPBD-NRFANRHFSA-N 2 2 335.426 4.402 20 0 EIADLP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480730125 1041503324 /nfs/dbraw/zinc/50/33/24/1041503324.db2.gz OXZMSBRZDRFJIE-MRXNPFEDSA-N 2 2 335.426 4.394 20 0 EIADLP COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731744 1041503841 /nfs/dbraw/zinc/50/38/41/1041503841.db2.gz JMIBVIZZOVCSDI-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731744 1041503853 /nfs/dbraw/zinc/50/38/53/1041503853.db2.gz JMIBVIZZOVCSDI-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731744 1041503862 /nfs/dbraw/zinc/50/38/62/1041503862.db2.gz JMIBVIZZOVCSDI-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000538731744 1041503869 /nfs/dbraw/zinc/50/38/69/1041503869.db2.gz JMIBVIZZOVCSDI-RXVVDRJESA-N 2 2 338.495 4.180 20 0 EIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000480748971 1041505299 /nfs/dbraw/zinc/50/52/99/1041505299.db2.gz YKYVHEXTVXILFG-QZTJIDSGSA-N 2 2 335.451 4.201 20 0 EIADLP CCOc1ccc(CCC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000540560641 1041542938 /nfs/dbraw/zinc/54/29/38/1041542938.db2.gz XJEUDSCQPCJSGZ-UHFFFAOYSA-N 2 2 341.499 4.017 20 0 EIADLP CSC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990183 1041769782 /nfs/dbraw/zinc/76/97/82/1041769782.db2.gz FYSKMFGDIXEKNY-WQVCFCJDSA-N 2 2 346.462 4.182 20 0 EIADLP CSC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000540990183 1041769784 /nfs/dbraw/zinc/76/97/84/1041769784.db2.gz FYSKMFGDIXEKNY-WQVCFCJDSA-N 2 2 346.462 4.182 20 0 EIADLP CC(C)(C)c1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000541203518 1041844668 /nfs/dbraw/zinc/84/46/68/1041844668.db2.gz ZPJLZKRKEBVVDS-UHFFFAOYSA-N 2 2 346.544 4.330 20 0 EIADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000541537523 1041987253 /nfs/dbraw/zinc/98/72/53/1041987253.db2.gz LRIYMEXPEQCRAY-UHFFFAOYSA-N 2 2 329.444 4.484 20 0 EIADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000541537523 1041987266 /nfs/dbraw/zinc/98/72/66/1041987266.db2.gz LRIYMEXPEQCRAY-UHFFFAOYSA-N 2 2 329.444 4.484 20 0 EIADLP C[C@H](CC[NH2+][C@@H](C)c1sccc1Br)[NH+]1CCCCC1 ZINC000541557548 1042012543 /nfs/dbraw/zinc/01/25/43/1042012543.db2.gz PDYPPDIQRGEEHE-OLZOCXBDSA-N 2 2 345.350 4.426 20 0 EIADLP Cc1ccc2cc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)ccc2n1 ZINC000438086218 1042039051 /nfs/dbraw/zinc/03/90/51/1042039051.db2.gz GUEVDDPSJSEPIH-UHFFFAOYSA-N 2 2 328.419 4.019 20 0 EIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844500 1042135496 /nfs/dbraw/zinc/13/54/96/1042135496.db2.gz RBIZCFFTYNXAQL-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000541844500 1042135498 /nfs/dbraw/zinc/13/54/98/1042135498.db2.gz RBIZCFFTYNXAQL-FOIQADDNSA-N 2 2 346.877 4.500 20 0 EIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000506358320 1042347937 /nfs/dbraw/zinc/34/79/37/1042347937.db2.gz XSZPPGXEBQAVAX-UHFFFAOYSA-N 2 2 335.542 4.176 20 0 EIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000506358320 1042347939 /nfs/dbraw/zinc/34/79/39/1042347939.db2.gz XSZPPGXEBQAVAX-UHFFFAOYSA-N 2 2 335.542 4.176 20 0 EIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000173312463 1042564328 /nfs/dbraw/zinc/56/43/28/1042564328.db2.gz SIEAAYOLVLCNHH-HNNXBMFYSA-N 2 2 341.405 4.103 20 0 EIADLP C[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134161551 1042887269 /nfs/dbraw/zinc/88/72/69/1042887269.db2.gz AWJPJHWBFXYXTJ-ACJLOTCBSA-N 2 2 326.831 4.172 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278728 1042891639 /nfs/dbraw/zinc/89/16/39/1042891639.db2.gz VKLLLNWGLQMDIF-ALKREAHSSA-N 2 2 347.503 4.406 20 0 EIADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cn1 ZINC000493278728 1042891640 /nfs/dbraw/zinc/89/16/40/1042891640.db2.gz VKLLLNWGLQMDIF-ALKREAHSSA-N 2 2 347.503 4.406 20 0 EIADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000170986839 1042911128 /nfs/dbraw/zinc/91/11/28/1042911128.db2.gz NLAVZDPWLUCMPR-CYBMUJFWSA-N 2 2 330.394 4.109 20 0 EIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000493901006 1042980273 /nfs/dbraw/zinc/98/02/73/1042980273.db2.gz QJYMXHDVLDGUDI-RSPOEFSDSA-N 2 2 342.527 4.053 20 0 EIADLP C[C@@H]1CC([NH2+]Cc2ccc(F)cc2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006164 1042996381 /nfs/dbraw/zinc/99/63/81/1042996381.db2.gz MEFFNJXUYHYRSN-HZPDHXFCSA-N 2 2 344.449 4.496 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000494100014 1043013516 /nfs/dbraw/zinc/01/35/16/1043013516.db2.gz UZLDGHOJSLSMDK-KSSFIOAISA-N 2 2 349.569 4.330 20 0 EIADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000494100014 1043013519 /nfs/dbraw/zinc/01/35/19/1043013519.db2.gz UZLDGHOJSLSMDK-KSSFIOAISA-N 2 2 349.569 4.330 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809882 1043042609 /nfs/dbraw/zinc/04/26/09/1043042609.db2.gz AMADFQBSMHULST-IRXDYDNUSA-N 2 2 328.456 4.377 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809882 1043042616 /nfs/dbraw/zinc/04/26/16/1043042616.db2.gz AMADFQBSMHULST-IRXDYDNUSA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809882 1043042623 /nfs/dbraw/zinc/04/26/23/1043042623.db2.gz AMADFQBSMHULST-IRXDYDNUSA-N 2 2 328.456 4.377 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000507809882 1043042627 /nfs/dbraw/zinc/04/26/27/1043042627.db2.gz AMADFQBSMHULST-IRXDYDNUSA-N 2 2 328.456 4.377 20 0 EIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991122 1043094802 /nfs/dbraw/zinc/09/48/02/1043094802.db2.gz CSLXOZKHQXOAAI-CVEARBPZSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2scnc2C2CC2)C1 ZINC000494991122 1043094815 /nfs/dbraw/zinc/09/48/15/1043094815.db2.gz CSLXOZKHQXOAAI-CVEARBPZSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991122 1043094827 /nfs/dbraw/zinc/09/48/27/1043094827.db2.gz CSLXOZKHQXOAAI-CVEARBPZSA-N 2 2 333.545 4.107 20 0 EIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991122 1043094835 /nfs/dbraw/zinc/09/48/35/1043094835.db2.gz CSLXOZKHQXOAAI-CVEARBPZSA-N 2 2 333.545 4.107 20 0 EIADLP CCSc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185490550 1043188699 /nfs/dbraw/zinc/18/86/99/1043188699.db2.gz VBOSLIDSWXXBQK-UHFFFAOYSA-N 2 2 341.455 4.413 20 0 EIADLP Fc1ccc(CCCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000427841035 1043222715 /nfs/dbraw/zinc/22/27/15/1043222715.db2.gz MWJLILUKRHRDET-UHFFFAOYSA-N 2 2 341.474 4.192 20 0 EIADLP Clc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1Cl ZINC000427840117 1043222757 /nfs/dbraw/zinc/22/27/57/1043222757.db2.gz FWYXGRHQMGTMCB-CXAGYDPISA-N 2 2 336.266 4.246 20 0 EIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCCC1 ZINC000766188901 1043238440 /nfs/dbraw/zinc/23/84/40/1043238440.db2.gz CNIOALDKRCILKA-QGZVFWFLSA-N 2 2 329.532 4.280 20 0 EIADLP COCC(C)(C)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000672616976 1043321080 /nfs/dbraw/zinc/32/10/80/1043321080.db2.gz WMBGNOWAHRIPGT-LJQANCHMSA-N 2 2 332.532 4.082 20 0 EIADLP COCC(C)(C)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000672616976 1043321088 /nfs/dbraw/zinc/32/10/88/1043321088.db2.gz WMBGNOWAHRIPGT-LJQANCHMSA-N 2 2 332.532 4.082 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187368234 1043345231 /nfs/dbraw/zinc/34/52/31/1043345231.db2.gz BFQSOWOJOFKPCJ-ZIAGYGMSSA-N 2 2 335.854 4.228 20 0 EIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187368234 1043345240 /nfs/dbraw/zinc/34/52/40/1043345240.db2.gz BFQSOWOJOFKPCJ-ZIAGYGMSSA-N 2 2 335.854 4.228 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(Cl)c1 ZINC000520822464 1043397639 /nfs/dbraw/zinc/39/76/39/1043397639.db2.gz RMCJHJHSUIFSFG-INIZCTEOSA-N 2 2 343.902 4.359 20 0 EIADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(Cl)c1 ZINC000520822465 1043398035 /nfs/dbraw/zinc/39/80/35/1043398035.db2.gz RMCJHJHSUIFSFG-MRXNPFEDSA-N 2 2 343.902 4.359 20 0 EIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979657 1043411652 /nfs/dbraw/zinc/41/16/52/1043411652.db2.gz PLQUUCDCCXJPBE-HKUYNNGSSA-N 2 2 346.540 4.417 20 0 EIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)c1ccccc1 ZINC000165979657 1043411655 /nfs/dbraw/zinc/41/16/55/1043411655.db2.gz PLQUUCDCCXJPBE-HKUYNNGSSA-N 2 2 346.540 4.417 20 0 EIADLP Cc1nc2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc2s1 ZINC000494330966 1043418577 /nfs/dbraw/zinc/41/85/77/1043418577.db2.gz PEKWBBNZOWQOPK-UHFFFAOYSA-N 2 2 348.475 4.139 20 0 EIADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCC23CCCC3)CCOCC1)c1ccccc1 ZINC000189130685 1043441621 /nfs/dbraw/zinc/44/16/21/1043441621.db2.gz BUDPSHFPDOHLCB-QUCCMNQESA-N 2 2 342.527 4.199 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000895151561 1043502715 /nfs/dbraw/zinc/50/27/15/1043502715.db2.gz LTGMIRWWVBETLE-RHSMWYFYSA-N 2 2 347.915 4.254 20 0 EIADLP Clc1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000895151561 1043502728 /nfs/dbraw/zinc/50/27/28/1043502728.db2.gz LTGMIRWWVBETLE-RHSMWYFYSA-N 2 2 347.915 4.254 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000189504276 1043588185 /nfs/dbraw/zinc/58/81/85/1043588185.db2.gz ZLDPRPQEWMXCLD-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)c(Cl)c2)CC[N@H+]1C ZINC000189504276 1043588205 /nfs/dbraw/zinc/58/82/05/1043588205.db2.gz ZLDPRPQEWMXCLD-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504276 1043588214 /nfs/dbraw/zinc/58/82/14/1043588214.db2.gz ZLDPRPQEWMXCLD-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)c(Cl)c2)CC[NH+]1C ZINC000189504276 1043588226 /nfs/dbraw/zinc/58/82/26/1043588226.db2.gz ZLDPRPQEWMXCLD-AAEUAGOBSA-N 2 2 345.712 4.017 20 0 EIADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000543062750 1043708132 /nfs/dbraw/zinc/70/81/32/1043708132.db2.gz JGGXIDDALPKEEA-UHFFFAOYSA-N 2 2 335.854 4.368 20 0 EIADLP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000442876415 1043877201 /nfs/dbraw/zinc/87/72/01/1043877201.db2.gz XOYSFNUQCKCXQP-LJQANCHMSA-N 2 2 346.563 4.031 20 0 EIADLP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cc21 ZINC000657412417 1044015574 /nfs/dbraw/zinc/01/55/74/1044015574.db2.gz KCNUHXRQDFRYMZ-QGZVFWFLSA-N 2 2 348.494 4.187 20 0 EIADLP CCC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000443099657 1044031475 /nfs/dbraw/zinc/03/14/75/1044031475.db2.gz BIZOUDQIDGFRMM-QZTJIDSGSA-N 2 2 344.528 4.237 20 0 EIADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H](C)C1 ZINC000766107789 1044188155 /nfs/dbraw/zinc/18/81/55/1044188155.db2.gz JSRQIKYTWPNXLQ-DZFIZOCASA-N 2 2 329.532 4.136 20 0 EIADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000675474811 1044343665 /nfs/dbraw/zinc/34/36/65/1044343665.db2.gz ANKSKZYLQQRYMM-GOSISDBHSA-N 2 2 325.481 4.172 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc(F)ccc1F ZINC000675918824 1044559437 /nfs/dbraw/zinc/55/94/37/1044559437.db2.gz GUZIOLFDAIMHRC-LIRRHRJNSA-N 2 2 341.405 4.333 20 0 EIADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675922947 1044562856 /nfs/dbraw/zinc/56/28/56/1044562856.db2.gz QTBAIJCRLOKDIP-WFXMLNOXSA-N 2 2 333.479 4.486 20 0 EIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000675921708 1044563828 /nfs/dbraw/zinc/56/38/28/1044563828.db2.gz MTQDVUIDJGHOPB-QZTJIDSGSA-N 2 2 337.492 4.433 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccnc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024771 1044641464 /nfs/dbraw/zinc/64/14/64/1044641464.db2.gz ISEORAMIGPPDGC-RMFSNUHRSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024771 1044641471 /nfs/dbraw/zinc/64/14/71/1044641471.db2.gz ISEORAMIGPPDGC-RMFSNUHRSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428870245 1044784182 /nfs/dbraw/zinc/78/41/82/1044784182.db2.gz GNWRRVHCIHITBT-KGLIPLIRSA-N 2 2 347.503 4.178 20 0 EIADLP C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428870245 1044784201 /nfs/dbraw/zinc/78/42/01/1044784201.db2.gz GNWRRVHCIHITBT-KGLIPLIRSA-N 2 2 347.503 4.178 20 0 EIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000895554124 1044808755 /nfs/dbraw/zinc/80/87/55/1044808755.db2.gz REMLZJNTCXCNIB-UHFFFAOYSA-N 2 2 333.545 4.251 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000474272933 1044832603 /nfs/dbraw/zinc/83/26/03/1044832603.db2.gz LKCYXQYWQVDLIW-AWEZNQCLSA-N 2 2 326.937 4.224 20 0 EIADLP CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000474272933 1044832607 /nfs/dbraw/zinc/83/26/07/1044832607.db2.gz LKCYXQYWQVDLIW-AWEZNQCLSA-N 2 2 326.937 4.224 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673601831 1044860934 /nfs/dbraw/zinc/86/09/34/1044860934.db2.gz SNDLOVNGAAUIQS-MOVXZBDNSA-N 2 2 338.417 4.183 20 0 EIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673601831 1044860937 /nfs/dbraw/zinc/86/09/37/1044860937.db2.gz SNDLOVNGAAUIQS-MOVXZBDNSA-N 2 2 338.417 4.183 20 0 EIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3c(Cl)cccc31)CCC2 ZINC000543596883 1044886265 /nfs/dbraw/zinc/88/62/65/1044886265.db2.gz XLAKOYUZPHFWLZ-KBXCAEBGSA-N 2 2 329.875 4.390 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347913516 1045000295 /nfs/dbraw/zinc/00/02/95/1045000295.db2.gz AEMWYYDXMLOGKU-ZWKOTPCHSA-N 3 2 340.515 4.096 20 0 EIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347913516 1045000309 /nfs/dbraw/zinc/00/03/09/1045000309.db2.gz AEMWYYDXMLOGKU-ZWKOTPCHSA-N 3 2 340.515 4.096 20 0 EIADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCC(c4ccccc4)CC3)C2)cc1 ZINC000716273312 1045001396 /nfs/dbraw/zinc/00/13/96/1045001396.db2.gz WGJIOOBEVKMZRZ-UHFFFAOYSA-N 2 2 334.507 4.434 20 0 EIADLP CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000347765987 1045019419 /nfs/dbraw/zinc/01/94/19/1045019419.db2.gz DIVPJMHKPGKISF-HSZRJFAPSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000347765987 1045019432 /nfs/dbraw/zinc/01/94/32/1045019432.db2.gz DIVPJMHKPGKISF-HSZRJFAPSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000347765987 1045019436 /nfs/dbraw/zinc/01/94/36/1045019436.db2.gz DIVPJMHKPGKISF-HSZRJFAPSA-N 2 2 349.522 4.132 20 0 EIADLP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000347765987 1045019443 /nfs/dbraw/zinc/01/94/43/1045019443.db2.gz DIVPJMHKPGKISF-HSZRJFAPSA-N 2 2 349.522 4.132 20 0 EIADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000474479563 1045021943 /nfs/dbraw/zinc/02/19/43/1045021943.db2.gz YFBHHQZIWDXNKF-PMPSAXMXSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000474479563 1045021955 /nfs/dbraw/zinc/02/19/55/1045021955.db2.gz YFBHHQZIWDXNKF-PMPSAXMXSA-N 2 2 331.529 4.252 20 0 EIADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000922878869 1045022190 /nfs/dbraw/zinc/02/21/90/1045022190.db2.gz YYKBVMLTVVTKRZ-IOMROCGXSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000922878869 1045022202 /nfs/dbraw/zinc/02/22/02/1045022202.db2.gz YYKBVMLTVVTKRZ-IOMROCGXSA-N 2 2 335.495 4.102 20 0 EIADLP C[NH+]1CC[C@]2(CC[N@H+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037014 1045047540 /nfs/dbraw/zinc/04/75/40/1045047540.db2.gz SLCVGTKSZSZMAQ-INIZCTEOSA-N 2 2 345.339 4.113 20 0 EIADLP C[N@@H+]1CC[C@]2(CC[NH+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037014 1045047520 /nfs/dbraw/zinc/04/75/20/1045047520.db2.gz SLCVGTKSZSZMAQ-INIZCTEOSA-N 2 2 345.339 4.113 20 0 EIADLP C[N@H+]1CC[C@]2(CC[NH+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037014 1045047530 /nfs/dbraw/zinc/04/75/30/1045047530.db2.gz SLCVGTKSZSZMAQ-INIZCTEOSA-N 2 2 345.339 4.113 20 0 EIADLP C[NH+]1CC[C@]2(CC[N@@H+](CCSc3cc(Cl)ccc3Cl)C2)C1 ZINC000429037014 1045047551 /nfs/dbraw/zinc/04/75/51/1045047551.db2.gz SLCVGTKSZSZMAQ-INIZCTEOSA-N 2 2 345.339 4.113 20 0 EIADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237309865 1045381553 /nfs/dbraw/zinc/38/15/53/1045381553.db2.gz RQIFXLXVCGONAH-AVRDEDQJSA-N 2 2 338.495 4.140 20 0 EIADLP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+]1CCCCC1 ZINC000237600303 1045389817 /nfs/dbraw/zinc/38/98/17/1045389817.db2.gz RKTCHFDZWUOLDW-MRXNPFEDSA-N 2 2 329.513 4.022 20 0 EIADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000393903143 1045497606 /nfs/dbraw/zinc/49/76/06/1045497606.db2.gz IXHZPZDLNJZCGC-QGZVFWFLSA-N 2 2 332.875 4.325 20 0 EIADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000393903143 1045497610 /nfs/dbraw/zinc/49/76/10/1045497610.db2.gz IXHZPZDLNJZCGC-QGZVFWFLSA-N 2 2 332.875 4.325 20 0 EIADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455494610 1045682677 /nfs/dbraw/zinc/68/26/77/1045682677.db2.gz DXNHHLYZDQDYNB-UHFFFAOYSA-N 2 2 346.519 4.127 20 0 EIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1COc2ccccc21 ZINC000246380731 1045716667 /nfs/dbraw/zinc/71/66/67/1045716667.db2.gz KAPKFWBBRXXMSH-RZQQEMMASA-N 2 2 333.435 4.088 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000247971038 1045861396 /nfs/dbraw/zinc/86/13/96/1045861396.db2.gz JKBPQCKBVYLMFX-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000247971038 1045861402 /nfs/dbraw/zinc/86/14/02/1045861402.db2.gz JKBPQCKBVYLMFX-TWOQFEAHSA-N 2 2 343.902 4.296 20 0 EIADLP C[C@H](Cc1ccccc1Cl)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170262478 1045958931 /nfs/dbraw/zinc/95/89/31/1045958931.db2.gz AHLNWCUJPSLUCW-KBAYOESNSA-N 2 2 343.902 4.443 20 0 EIADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001170255238 1045975482 /nfs/dbraw/zinc/97/54/82/1045975482.db2.gz CLHCERCEGRKQTC-INIZCTEOSA-N 2 2 343.902 4.172 20 0 EIADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC001170331541 1046003745 /nfs/dbraw/zinc/00/37/45/1046003745.db2.gz YKSUPHVIMUVSHJ-LDLYASANSA-N 2 2 337.467 4.006 20 0 EIADLP COc1c[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC001170331541 1046003761 /nfs/dbraw/zinc/00/37/61/1046003761.db2.gz YKSUPHVIMUVSHJ-LDLYASANSA-N 2 2 337.467 4.006 20 0 EIADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000769878841 1046104874 /nfs/dbraw/zinc/10/48/74/1046104874.db2.gz YPCJAWCUDQGALK-JKSUJKDBSA-N 2 2 341.499 4.422 20 0 EIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718306 1046375307 /nfs/dbraw/zinc/37/53/07/1046375307.db2.gz KSSYAGSSNSBTSZ-HOTGVXAUSA-N 2 2 345.512 4.130 20 0 EIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718306 1046375320 /nfs/dbraw/zinc/37/53/20/1046375320.db2.gz KSSYAGSSNSBTSZ-HOTGVXAUSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718306 1046375336 /nfs/dbraw/zinc/37/53/36/1046375336.db2.gz KSSYAGSSNSBTSZ-HOTGVXAUSA-N 2 2 345.512 4.130 20 0 EIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C[C@@H]1C ZINC000508718306 1046375352 /nfs/dbraw/zinc/37/53/52/1046375352.db2.gz KSSYAGSSNSBTSZ-HOTGVXAUSA-N 2 2 345.512 4.130 20 0 EIADLP CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661075 1046626818 /nfs/dbraw/zinc/62/68/18/1046626818.db2.gz WSLWEHBOAXVMTF-YADHBBJMSA-N 2 2 349.522 4.424 20 0 EIADLP CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536661075 1046626820 /nfs/dbraw/zinc/62/68/20/1046626820.db2.gz WSLWEHBOAXVMTF-YADHBBJMSA-N 2 2 349.522 4.424 20 0 EIADLP c1cc2cccc(C[NH2+]C[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2[nH]1 ZINC000379644053 1046738135 /nfs/dbraw/zinc/73/81/35/1046738135.db2.gz BYFBQMBOJOPJPC-OAQYLSRUSA-N 2 2 333.479 4.312 20 0 EIADLP c1cc2cccc(C[NH2+]C[C@H]3CCCC[N@H+]3Cc3ccccc3)c2[nH]1 ZINC000379644053 1046738146 /nfs/dbraw/zinc/73/81/46/1046738146.db2.gz BYFBQMBOJOPJPC-OAQYLSRUSA-N 2 2 333.479 4.312 20 0 EIADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000536772601 1046768465 /nfs/dbraw/zinc/76/84/65/1046768465.db2.gz NGNOUHNILYVPOR-OAHLLOKOSA-N 2 2 335.561 4.327 20 0 EIADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000536772601 1046768478 /nfs/dbraw/zinc/76/84/78/1046768478.db2.gz NGNOUHNILYVPOR-OAHLLOKOSA-N 2 2 335.561 4.327 20 0 EIADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000459565615 1046785167 /nfs/dbraw/zinc/78/51/67/1046785167.db2.gz RHVOOLMCAMXZIF-GOSISDBHSA-N 2 2 347.462 4.041 20 0 EIADLP COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000536870174 1046834083 /nfs/dbraw/zinc/83/40/83/1046834083.db2.gz MYQKOVBOPHTZSQ-IAGOWNOFSA-N 2 2 335.451 4.163 20 0 EIADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000128588936 1046976220 /nfs/dbraw/zinc/97/62/20/1046976220.db2.gz AFFYNEYYLKUDMR-KRWDZBQOSA-N 2 2 348.288 4.434 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001170084672 1047187615 /nfs/dbraw/zinc/18/76/15/1047187615.db2.gz YWYXSAMBTSPQTF-LJQANCHMSA-N 2 2 346.563 4.065 20 0 EIADLP CC(C)CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001170084672 1047187620 /nfs/dbraw/zinc/18/76/20/1047187620.db2.gz YWYXSAMBTSPQTF-LJQANCHMSA-N 2 2 346.563 4.065 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154708090 1047410221 /nfs/dbraw/zinc/41/02/21/1047410221.db2.gz NJZNJUGBZOFXOO-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154708090 1047410223 /nfs/dbraw/zinc/41/02/23/1047410223.db2.gz NJZNJUGBZOFXOO-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154708090 1047410226 /nfs/dbraw/zinc/41/02/26/1047410226.db2.gz NJZNJUGBZOFXOO-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000154708090 1047410227 /nfs/dbraw/zinc/41/02/27/1047410227.db2.gz NJZNJUGBZOFXOO-OAHLLOKOSA-N 2 2 331.891 4.052 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556078684 1047436158 /nfs/dbraw/zinc/43/61/58/1047436158.db2.gz YUFMXKBDVXWWHO-MOPGFXCFSA-N 2 2 344.499 4.473 20 0 EIADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556078684 1047436166 /nfs/dbraw/zinc/43/61/66/1047436166.db2.gz YUFMXKBDVXWWHO-MOPGFXCFSA-N 2 2 344.499 4.473 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cncs1 ZINC000897931038 1047500143 /nfs/dbraw/zinc/50/01/43/1047500143.db2.gz VABOCWNQNJKYNJ-YXJHDRRASA-N 2 2 327.497 4.162 20 0 EIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cncs1 ZINC000897931038 1047500151 /nfs/dbraw/zinc/50/01/51/1047500151.db2.gz VABOCWNQNJKYNJ-YXJHDRRASA-N 2 2 327.497 4.162 20 0 EIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000130466021 1047712506 /nfs/dbraw/zinc/71/25/06/1047712506.db2.gz SLBLEGNCCVZYCP-FGZHOGPDSA-N 2 2 331.463 4.357 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057312 1047871823 /nfs/dbraw/zinc/87/18/23/1047871823.db2.gz AMJJTDVBMCOCEY-SJORKVTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171057312 1047871833 /nfs/dbraw/zinc/87/18/33/1047871833.db2.gz AMJJTDVBMCOCEY-SJORKVTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170731952 1047874942 /nfs/dbraw/zinc/87/49/42/1047874942.db2.gz VBUNIHJQEWAKFC-ACDBMABISA-N 2 2 330.491 4.123 20 0 EIADLP Cc1ccc2c(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001136976639 1048019195 /nfs/dbraw/zinc/01/91/95/1048019195.db2.gz ITUGSMQRNNGUTE-UHFFFAOYSA-N 2 2 325.500 4.315 20 0 EIADLP Cc1ccc2c(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001136976639 1048019203 /nfs/dbraw/zinc/01/92/03/1048019203.db2.gz ITUGSMQRNNGUTE-UHFFFAOYSA-N 2 2 325.500 4.315 20 0 EIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000556858039 1048074643 /nfs/dbraw/zinc/07/46/43/1048074643.db2.gz HOKIMPHUARCYLT-INIZCTEOSA-N 2 2 341.377 4.303 20 0 EIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170763968 1048161008 /nfs/dbraw/zinc/16/10/08/1048161008.db2.gz CSZHTYMLLJIZGE-LDLYASANSA-N 2 2 330.491 4.157 20 0 EIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170763968 1048161016 /nfs/dbraw/zinc/16/10/16/1048161016.db2.gz CSZHTYMLLJIZGE-LDLYASANSA-N 2 2 330.491 4.157 20 0 EIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170763969 1048161943 /nfs/dbraw/zinc/16/19/43/1048161943.db2.gz CSZHTYMLLJIZGE-REPLKXPHSA-N 2 2 330.491 4.157 20 0 EIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170763969 1048161958 /nfs/dbraw/zinc/16/19/58/1048161958.db2.gz CSZHTYMLLJIZGE-REPLKXPHSA-N 2 2 330.491 4.157 20 0 EIADLP Cc1c(F)cc(F)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001143757576 1048191988 /nfs/dbraw/zinc/19/19/88/1048191988.db2.gz FFGJJMFLNZQQNY-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP Cc1c(F)cc(F)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001143757576 1048191999 /nfs/dbraw/zinc/19/19/99/1048191999.db2.gz FFGJJMFLNZQQNY-UHFFFAOYSA-N 2 2 344.449 4.370 20 0 EIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000132221972 1048227636 /nfs/dbraw/zinc/22/76/36/1048227636.db2.gz OWAFEIYHALVUHW-OAHLLOKOSA-N 2 2 341.405 4.103 20 0 EIADLP Cc1c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001143929618 1048296846 /nfs/dbraw/zinc/29/68/46/1048296846.db2.gz TXMKPQPKFRMYSC-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP Cc1c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001143929618 1048296864 /nfs/dbraw/zinc/29/68/64/1048296864.db2.gz TXMKPQPKFRMYSC-UHFFFAOYSA-N 2 2 328.422 4.318 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)s1 ZINC000809574272 1048403868 /nfs/dbraw/zinc/40/38/68/1048403868.db2.gz JZKVAHLSTRMZQN-GOSISDBHSA-N 2 2 343.540 4.192 20 0 EIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)s1 ZINC000809574272 1048403877 /nfs/dbraw/zinc/40/38/77/1048403877.db2.gz JZKVAHLSTRMZQN-GOSISDBHSA-N 2 2 343.540 4.192 20 0 EIADLP CC[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@@H]1c1ccccc1 ZINC000809591994 1048428676 /nfs/dbraw/zinc/42/86/76/1048428676.db2.gz KTUHHRIDAZPCDP-LPHOPBHVSA-N 2 2 343.540 4.220 20 0 EIADLP CC[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC[C@@H]1c1ccccc1 ZINC000809591994 1048428683 /nfs/dbraw/zinc/42/86/83/1048428683.db2.gz KTUHHRIDAZPCDP-LPHOPBHVSA-N 2 2 343.540 4.220 20 0 EIADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171150497 1048499611 /nfs/dbraw/zinc/49/96/11/1048499611.db2.gz SLZWAXVHQNOXQC-HNNXBMFYSA-N 2 2 346.261 4.288 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576099 1048516920 /nfs/dbraw/zinc/51/69/20/1048516920.db2.gz JIEIFKOYYBCREI-YESZJQIVSA-N 2 2 348.556 4.091 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1SC(C)(C)C ZINC000815576099 1048516934 /nfs/dbraw/zinc/51/69/34/1048516934.db2.gz JIEIFKOYYBCREI-YESZJQIVSA-N 2 2 348.556 4.091 20 0 EIADLP CCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170592709 1048589982 /nfs/dbraw/zinc/58/99/82/1048589982.db2.gz LYJBBXJFHMWAIR-HBMCJLEFSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170592709 1048589997 /nfs/dbraw/zinc/58/99/97/1048589997.db2.gz LYJBBXJFHMWAIR-HBMCJLEFSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170592709 1048590013 /nfs/dbraw/zinc/59/00/13/1048590013.db2.gz LYJBBXJFHMWAIR-HBMCJLEFSA-N 2 2 329.532 4.194 20 0 EIADLP CCCCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170592709 1048590024 /nfs/dbraw/zinc/59/00/24/1048590024.db2.gz LYJBBXJFHMWAIR-HBMCJLEFSA-N 2 2 329.532 4.194 20 0 EIADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326957 1049025589 /nfs/dbraw/zinc/02/55/89/1049025589.db2.gz YJFHGYWLQQMUOF-IAQYHMDHSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326957 1049025606 /nfs/dbraw/zinc/02/56/06/1049025606.db2.gz YJFHGYWLQQMUOF-IAQYHMDHSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326957 1049025617 /nfs/dbraw/zinc/02/56/17/1049025617.db2.gz YJFHGYWLQQMUOF-IAQYHMDHSA-N 2 2 334.813 4.131 20 0 EIADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000564326957 1049025632 /nfs/dbraw/zinc/02/56/32/1049025632.db2.gz YJFHGYWLQQMUOF-IAQYHMDHSA-N 2 2 334.813 4.131 20 0 EIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000136306366 1049377257 /nfs/dbraw/zinc/37/72/57/1049377257.db2.gz IMDOLZDFKKTTEX-UHFFFAOYSA-N 2 2 342.874 4.224 20 0 EIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000136306366 1049377276 /nfs/dbraw/zinc/37/72/76/1049377276.db2.gz IMDOLZDFKKTTEX-UHFFFAOYSA-N 2 2 342.874 4.224 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948039 1049515972 /nfs/dbraw/zinc/51/59/72/1049515972.db2.gz ZWBPCKOXDXKJEE-DLBZAZTESA-N 2 2 342.870 4.054 20 0 EIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170948039 1049515987 /nfs/dbraw/zinc/51/59/87/1049515987.db2.gz ZWBPCKOXDXKJEE-DLBZAZTESA-N 2 2 342.870 4.054 20 0 EIADLP CCc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812834876 1049604472 /nfs/dbraw/zinc/60/44/72/1049604472.db2.gz XRJNTELEUFBBFV-UHFFFAOYSA-N 2 2 337.511 4.074 20 0 EIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852293 1049613969 /nfs/dbraw/zinc/61/39/69/1049613969.db2.gz XLARUQYHKPANEN-AVRDEDQJSA-N 2 2 349.478 4.125 20 0 EIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852293 1049613979 /nfs/dbraw/zinc/61/39/79/1049613979.db2.gz XLARUQYHKPANEN-AVRDEDQJSA-N 2 2 349.478 4.125 20 0 EIADLP C[C@H](C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000237610955 1049660943 /nfs/dbraw/zinc/66/09/43/1049660943.db2.gz LTINYQNOYUKISV-GOSISDBHSA-N 2 2 337.511 4.433 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000037156299 1049663312 /nfs/dbraw/zinc/66/33/12/1049663312.db2.gz UDOMTLZQHDNJQG-OAHLLOKOSA-N 2 2 326.271 4.394 20 0 EIADLP Cc1ccc(CC[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171666814 1049772689 /nfs/dbraw/zinc/77/26/89/1049772689.db2.gz QRNNMHFTXLYIJT-JBACZVJFSA-N 2 2 337.511 4.488 20 0 EIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000324813084 1049804906 /nfs/dbraw/zinc/80/49/06/1049804906.db2.gz DLIDRYROJQUBOQ-CZUORRHYSA-N 2 2 337.414 4.250 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962604 1049825488 /nfs/dbraw/zinc/82/54/88/1049825488.db2.gz CGXCOJPUNHNCOU-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962604 1049825490 /nfs/dbraw/zinc/82/54/90/1049825490.db2.gz CGXCOJPUNHNCOU-AZUAARDMSA-N 2 2 337.511 4.484 20 0 EIADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171964540 1049826377 /nfs/dbraw/zinc/82/63/77/1049826377.db2.gz GTLKQKJBUPOLHO-NRFANRHFSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171964540 1049826378 /nfs/dbraw/zinc/82/63/78/1049826378.db2.gz GTLKQKJBUPOLHO-NRFANRHFSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964540 1049826379 /nfs/dbraw/zinc/82/63/79/1049826379.db2.gz GTLKQKJBUPOLHO-NRFANRHFSA-N 3 2 345.575 4.141 20 0 EIADLP CCCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964540 1049826382 /nfs/dbraw/zinc/82/63/82/1049826382.db2.gz GTLKQKJBUPOLHO-NRFANRHFSA-N 3 2 345.575 4.141 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC001171971472 1049834937 /nfs/dbraw/zinc/83/49/37/1049834937.db2.gz IMDCZAJEKQJYST-WOJBJXKFSA-N 2 2 335.495 4.102 20 0 EIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC001171971472 1049834938 /nfs/dbraw/zinc/83/49/38/1049834938.db2.gz IMDCZAJEKQJYST-WOJBJXKFSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001171973638 1049835712 /nfs/dbraw/zinc/83/57/12/1049835712.db2.gz MBVJSEJKLQWUMX-DZGCQCFKSA-N 2 2 337.389 4.173 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982437 1049838734 /nfs/dbraw/zinc/83/87/34/1049838734.db2.gz IQZFQJZGAMJKNW-PKOBYXMFSA-N 2 2 330.516 4.167 20 0 EIADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982437 1049838736 /nfs/dbraw/zinc/83/87/36/1049838736.db2.gz IQZFQJZGAMJKNW-PKOBYXMFSA-N 2 2 330.516 4.167 20 0 EIADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4cnccc4C2)C3)cc1 ZINC001172076737 1049844902 /nfs/dbraw/zinc/84/49/02/1049844902.db2.gz HIAASQSAJQAMTM-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCc4cnccc4C2)C3)cc1 ZINC001172076737 1049844907 /nfs/dbraw/zinc/84/49/07/1049844907.db2.gz HIAASQSAJQAMTM-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCc4cnccc4C2)C3)cc1 ZINC001172076737 1049844908 /nfs/dbraw/zinc/84/49/08/1049844908.db2.gz HIAASQSAJQAMTM-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCc4cnccc4C2)C3)cc1 ZINC001172076737 1049844911 /nfs/dbraw/zinc/84/49/11/1049844911.db2.gz HIAASQSAJQAMTM-NUNAXRQHSA-N 2 2 347.506 4.025 20 0 EIADLP Clc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171017187 1049849476 /nfs/dbraw/zinc/84/94/76/1049849476.db2.gz GJKRLKOBXMYOOP-QGZVFWFLSA-N 2 2 337.854 4.173 20 0 EIADLP Cc1cc(C[NH+](Cc2ccccc2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC001172127979 1049852662 /nfs/dbraw/zinc/85/26/62/1049852662.db2.gz MQFVPUGWKNXNMG-PMOLBWCYSA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[NH+](Cc2ccccc2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)on1 ZINC001172127979 1049852664 /nfs/dbraw/zinc/85/26/64/1049852664.db2.gz MQFVPUGWKNXNMG-PMOLBWCYSA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[N@H+](Cc2ccccc2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)on1 ZINC001172127979 1049852668 /nfs/dbraw/zinc/85/26/68/1049852668.db2.gz MQFVPUGWKNXNMG-PMOLBWCYSA-N 2 2 339.483 4.001 20 0 EIADLP Cc1cc(C[N@@H+](Cc2ccccc2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)on1 ZINC001172127979 1049852669 /nfs/dbraw/zinc/85/26/69/1049852669.db2.gz MQFVPUGWKNXNMG-PMOLBWCYSA-N 2 2 339.483 4.001 20 0 EIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245993339 1049888478 /nfs/dbraw/zinc/88/84/78/1049888478.db2.gz QYXXENGGHXJIQN-SIKLNZKXSA-N 2 2 337.511 4.129 20 0 EIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245993339 1049888480 /nfs/dbraw/zinc/88/84/80/1049888480.db2.gz QYXXENGGHXJIQN-SIKLNZKXSA-N 2 2 337.511 4.129 20 0 EIADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246007586 1049890971 /nfs/dbraw/zinc/89/09/71/1049890971.db2.gz KNIWRHUSJMSJET-IAGOWNOFSA-N 2 2 348.535 4.231 20 0 EIADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000246007586 1049890976 /nfs/dbraw/zinc/89/09/76/1049890976.db2.gz KNIWRHUSJMSJET-IAGOWNOFSA-N 2 2 348.535 4.231 20 0 EIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576361 1049942625 /nfs/dbraw/zinc/94/26/25/1049942625.db2.gz CWVIGWZKOHNGIG-ZDUSSCGKSA-N 2 2 341.833 4.158 20 0 EIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172576361 1049942631 /nfs/dbraw/zinc/94/26/31/1049942631.db2.gz CWVIGWZKOHNGIG-ZDUSSCGKSA-N 2 2 341.833 4.158 20 0 EIADLP CC1(C)CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC(C)(C)O1 ZINC001172649983 1049955973 /nfs/dbraw/zinc/95/59/73/1049955973.db2.gz ZGQXMIGMISICEE-IBGZPJMESA-N 2 2 330.516 4.149 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001172827515 1050167026 /nfs/dbraw/zinc/16/70/26/1050167026.db2.gz LVGDHXFLUQHJGC-XMMPIXPASA-N 2 2 348.534 4.449 20 0 EIADLP Cc1ccc2c(c1)C[C@H]([N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001172827515 1050167032 /nfs/dbraw/zinc/16/70/32/1050167032.db2.gz LVGDHXFLUQHJGC-XMMPIXPASA-N 2 2 348.534 4.449 20 0 EIADLP Cc1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)ccc1Cl ZINC001177251127 1050176070 /nfs/dbraw/zinc/17/60/70/1050176070.db2.gz UHXZLBWJVSKERI-UHFFFAOYSA-N 2 2 338.948 4.100 20 0 EIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172862994 1050200254 /nfs/dbraw/zinc/20/02/54/1050200254.db2.gz KOCLCWRUMPNWDB-OAHLLOKOSA-N 2 2 346.877 4.132 20 0 EIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001177844421 1050315831 /nfs/dbraw/zinc/31/58/31/1050315831.db2.gz PSCACYZOWJCXPH-OALUTQOASA-N 2 2 336.589 4.320 20 0 EIADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001186381668 1050315810 /nfs/dbraw/zinc/31/58/10/1050315810.db2.gz XGSXJQNKPYGFOQ-FOIQADDNSA-N 2 2 338.499 4.076 20 0 EIADLP Cc1cccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1Br ZINC001177947803 1050343002 /nfs/dbraw/zinc/34/30/02/1050343002.db2.gz AFGMEDPSJXZXBU-UHFFFAOYSA-N 2 2 341.337 4.356 20 0 EIADLP Cc1[nH+]cn([C@@H](C)CC(c2ccccc2)c2ccccc2)c1CC[NH3+] ZINC001173206854 1050365711 /nfs/dbraw/zinc/36/57/11/1050365711.db2.gz XTCGDUBVSPEULG-KRWDZBQOSA-N 2 2 333.479 4.476 20 0 EIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001173213635 1050373501 /nfs/dbraw/zinc/37/35/01/1050373501.db2.gz GXFCUMVSKXYSDC-LJQANCHMSA-N 2 2 334.507 4.377 20 0 EIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001173213635 1050373519 /nfs/dbraw/zinc/37/35/19/1050373519.db2.gz GXFCUMVSKXYSDC-LJQANCHMSA-N 2 2 334.507 4.377 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001173261097 1050387057 /nfs/dbraw/zinc/38/70/57/1050387057.db2.gz OKLIQQHSKPGULU-ZVDOUQERSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001173261097 1050387068 /nfs/dbraw/zinc/38/70/68/1050387068.db2.gz OKLIQQHSKPGULU-ZVDOUQERSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001173261097 1050387081 /nfs/dbraw/zinc/38/70/81/1050387081.db2.gz OKLIQQHSKPGULU-ZVDOUQERSA-N 2 2 329.532 4.050 20 0 EIADLP CCCC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001173261097 1050387093 /nfs/dbraw/zinc/38/70/93/1050387093.db2.gz OKLIQQHSKPGULU-ZVDOUQERSA-N 2 2 329.532 4.050 20 0 EIADLP CC[C@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C1 ZINC001173297830 1050398683 /nfs/dbraw/zinc/39/86/83/1050398683.db2.gz ZTJMOLFDUGGFQB-SWLSCSKDSA-N 2 2 348.288 4.075 20 0 EIADLP CC[C@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)C1 ZINC001173297831 1050399428 /nfs/dbraw/zinc/39/94/28/1050399428.db2.gz ZTJMOLFDUGGFQB-WFASDCNBSA-N 2 2 348.288 4.075 20 0 EIADLP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283948 1050411189 /nfs/dbraw/zinc/41/11/89/1050411189.db2.gz XVIVCRSJJOXHHU-PKOBYXMFSA-N 2 2 347.572 4.461 20 0 EIADLP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)C1 ZINC001173283948 1050411196 /nfs/dbraw/zinc/41/11/96/1050411196.db2.gz XVIVCRSJJOXHHU-PKOBYXMFSA-N 2 2 347.572 4.461 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173551664 1050487108 /nfs/dbraw/zinc/48/71/08/1050487108.db2.gz UQGOASXYAXMGKB-QIIPPGSGSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173551664 1050487117 /nfs/dbraw/zinc/48/71/17/1050487117.db2.gz UQGOASXYAXMGKB-QIIPPGSGSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001173551664 1050487121 /nfs/dbraw/zinc/48/71/21/1050487121.db2.gz UQGOASXYAXMGKB-QIIPPGSGSA-N 2 2 341.326 4.341 20 0 EIADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001173551664 1050487130 /nfs/dbraw/zinc/48/71/30/1050487130.db2.gz UQGOASXYAXMGKB-QIIPPGSGSA-N 2 2 341.326 4.341 20 0 EIADLP CS[C@H]1CCC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770310 1050551883 /nfs/dbraw/zinc/55/18/83/1050551883.db2.gz YXKKWJXJQJDHDH-OALUTQOASA-N 2 2 332.557 4.305 20 0 EIADLP CS[C@H]1CCC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001178770310 1050551896 /nfs/dbraw/zinc/55/18/96/1050551896.db2.gz YXKKWJXJQJDHDH-OALUTQOASA-N 2 2 332.557 4.305 20 0 EIADLP Cc1scc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC001178791225 1050555546 /nfs/dbraw/zinc/55/55/46/1050555546.db2.gz UFUNECDMGRSQMS-UHFFFAOYSA-N 2 2 331.872 4.494 20 0 EIADLP CCC[N@H+](Cc1ccccc1)Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC001179044549 1050613313 /nfs/dbraw/zinc/61/33/13/1050613313.db2.gz HZMFALBAWPIMAS-UHFFFAOYSA-N 2 2 348.494 4.444 20 0 EIADLP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC001179044549 1050613325 /nfs/dbraw/zinc/61/33/25/1050613325.db2.gz HZMFALBAWPIMAS-UHFFFAOYSA-N 2 2 348.494 4.444 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093693964 1050664087 /nfs/dbraw/zinc/66/40/87/1050664087.db2.gz QJAUNVIJXRNNDC-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000093693964 1050664096 /nfs/dbraw/zinc/66/40/96/1050664096.db2.gz QJAUNVIJXRNNDC-QGZVFWFLSA-N 2 2 343.540 4.282 20 0 EIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741962 1050672715 /nfs/dbraw/zinc/67/27/15/1050672715.db2.gz GKGOQTJLBJJGAB-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741962 1050672725 /nfs/dbraw/zinc/67/27/25/1050672725.db2.gz GKGOQTJLBJJGAB-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741962 1050672733 /nfs/dbraw/zinc/67/27/33/1050672733.db2.gz GKGOQTJLBJJGAB-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093741962 1050672738 /nfs/dbraw/zinc/67/27/38/1050672738.db2.gz GKGOQTJLBJJGAB-QGZVFWFLSA-N 2 2 341.474 4.051 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001179339173 1050679762 /nfs/dbraw/zinc/67/97/62/1050679762.db2.gz XPNXEMVAVPJFNS-WMZOPIPTSA-N 2 2 343.540 4.124 20 0 EIADLP CC(C)c1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001179339173 1050679764 /nfs/dbraw/zinc/67/97/64/1050679764.db2.gz XPNXEMVAVPJFNS-WMZOPIPTSA-N 2 2 343.540 4.124 20 0 EIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1Cl ZINC000152783835 1050851122 /nfs/dbraw/zinc/85/11/22/1050851122.db2.gz RLFRCOKRPAVYCF-LBPRGKRZSA-N 2 2 338.282 4.420 20 0 EIADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cc(Cl)cc(Cl)c1 ZINC001180239564 1050931022 /nfs/dbraw/zinc/93/10/22/1050931022.db2.gz MOJGRJZGPOCYCD-UHFFFAOYSA-N 2 2 347.249 4.206 20 0 EIADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cc(Cl)cc(Cl)c1 ZINC001180239564 1050931029 /nfs/dbraw/zinc/93/10/29/1050931029.db2.gz MOJGRJZGPOCYCD-UHFFFAOYSA-N 2 2 347.249 4.206 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C[N@@H+]1Cc1ccccc1 ZINC001181383390 1051214316 /nfs/dbraw/zinc/21/43/16/1051214316.db2.gz SUEHXYQRDXBDIX-WIYYLYMNSA-N 2 2 340.486 4.401 20 0 EIADLP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001181383390 1051214330 /nfs/dbraw/zinc/21/43/30/1051214330.db2.gz SUEHXYQRDXBDIX-WIYYLYMNSA-N 2 2 340.486 4.401 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC3 ZINC001181436708 1051238269 /nfs/dbraw/zinc/23/82/69/1051238269.db2.gz YXQNFEGTAQJPSS-IERDGZPVSA-N 2 2 339.527 4.044 20 0 EIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC3 ZINC001181436708 1051238286 /nfs/dbraw/zinc/23/82/86/1051238286.db2.gz YXQNFEGTAQJPSS-IERDGZPVSA-N 2 2 339.527 4.044 20 0 EIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCc3ccccc3C2)CCC1 ZINC001181913157 1051350943 /nfs/dbraw/zinc/35/09/43/1051350943.db2.gz MGHNDVUDWXXABC-NRFANRHFSA-N 2 2 348.534 4.436 20 0 EIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCc3ccccc3C2)CCC1 ZINC001181913157 1051350953 /nfs/dbraw/zinc/35/09/53/1051350953.db2.gz MGHNDVUDWXXABC-NRFANRHFSA-N 2 2 348.534 4.436 20 0 EIADLP [NH3+]CCC1CC[NH+](Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001206499762 1051504924 /nfs/dbraw/zinc/50/49/24/1051504924.db2.gz BWCZPCIOPNNVOZ-UHFFFAOYSA-N 2 2 338.776 4.059 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2C)[nH+]1 ZINC001192043296 1051620649 /nfs/dbraw/zinc/62/06/49/1051620649.db2.gz RGERIUOEJDUGKX-GOSISDBHSA-N 2 2 329.875 4.428 20 0 EIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2C)[nH+]1 ZINC001192043296 1051620656 /nfs/dbraw/zinc/62/06/56/1051620656.db2.gz RGERIUOEJDUGKX-GOSISDBHSA-N 2 2 329.875 4.428 20 0 EIADLP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001192334056 1051692574 /nfs/dbraw/zinc/69/25/74/1051692574.db2.gz GKCQQYDYDSECCJ-CVDCTZTESA-N 2 2 345.490 4.352 20 0 EIADLP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC001192334056 1051692577 /nfs/dbraw/zinc/69/25/77/1051692577.db2.gz GKCQQYDYDSECCJ-CVDCTZTESA-N 2 2 345.490 4.352 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182843724 1051713220 /nfs/dbraw/zinc/71/32/20/1051713220.db2.gz GHTQTJQVNSLYHN-BBRMVZONSA-N 2 2 328.422 4.099 20 0 EIADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182843724 1051713228 /nfs/dbraw/zinc/71/32/28/1051713228.db2.gz GHTQTJQVNSLYHN-BBRMVZONSA-N 2 2 328.422 4.099 20 0 EIADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001182845106 1051714210 /nfs/dbraw/zinc/71/42/10/1051714210.db2.gz RNPNQHBUWRBMIF-GGVAOPBYSA-N 2 2 344.543 4.425 20 0 EIADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001182845106 1051714226 /nfs/dbraw/zinc/71/42/26/1051714226.db2.gz RNPNQHBUWRBMIF-GGVAOPBYSA-N 2 2 344.543 4.425 20 0 EIADLP c1ccc(SC2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC001182919169 1051730549 /nfs/dbraw/zinc/73/05/49/1051730549.db2.gz VYCFDMQRHYGCFT-IPCDKGFNSA-N 2 2 330.541 4.306 20 0 EIADLP c1ccc(SC2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC001182919169 1051730552 /nfs/dbraw/zinc/73/05/52/1051730552.db2.gz VYCFDMQRHYGCFT-IPCDKGFNSA-N 2 2 330.541 4.306 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000621261959 1051794093 /nfs/dbraw/zinc/79/40/93/1051794093.db2.gz JXARCEIFKMHOMN-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([NH+](C)Cc2cncc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000621261959 1051794101 /nfs/dbraw/zinc/79/41/01/1051794101.db2.gz JXARCEIFKMHOMN-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261959 1051794109 /nfs/dbraw/zinc/79/41/09/1051794109.db2.gz JXARCEIFKMHOMN-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cncc(Cl)c2)CC[NH+]1Cc1ccccc1 ZINC000621261959 1051794125 /nfs/dbraw/zinc/79/41/25/1051794125.db2.gz JXARCEIFKMHOMN-OXJNMPFZSA-N 2 2 343.902 4.220 20 0 EIADLP [NH3+]Cc1ccc(Nc2cc[nH+]c3cc(Br)ccc23)cc1 ZINC001175965600 1051851213 /nfs/dbraw/zinc/85/12/13/1051851213.db2.gz BEXRQJHPLAFUDW-UHFFFAOYSA-N 2 2 328.213 4.200 20 0 EIADLP Cc1ccccc1C1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001183497824 1051855277 /nfs/dbraw/zinc/85/52/77/1051855277.db2.gz CAMKFJBVSPTIMZ-AOMIVXANSA-N 2 2 331.463 4.469 20 0 EIADLP FC(F)(F)c1coc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001193333975 1051901743 /nfs/dbraw/zinc/90/17/43/1051901743.db2.gz AAYOUXAQLRTDMT-UHFFFAOYSA-N 2 2 341.377 4.187 20 0 EIADLP CCCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)c1 ZINC001183863287 1051918720 /nfs/dbraw/zinc/91/87/20/1051918720.db2.gz AYTQUTSQTFQHHU-UHFFFAOYSA-N 2 2 339.483 4.255 20 0 EIADLP c1cn(Cc2cccc(Nc3cccc(C[NH+]4CCCC4)c3)c2)c[nH+]1 ZINC001176198212 1051941501 /nfs/dbraw/zinc/94/15/01/1051941501.db2.gz AAOJUTDYTZDNCJ-UHFFFAOYSA-N 2 2 332.451 4.271 20 0 EIADLP C[NH+](C)CCOc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001176227539 1051964872 /nfs/dbraw/zinc/96/48/72/1051964872.db2.gz PNIWAGHHGGUTJI-UHFFFAOYSA-N 2 2 339.483 4.361 20 0 EIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H](C)c1nc2ccccc2s1 ZINC000163827207 1052008352 /nfs/dbraw/zinc/00/83/52/1052008352.db2.gz QWVLBLFGZIMZMA-HUUCEWRRSA-N 2 2 340.496 4.275 20 0 EIADLP c1ccc(C[NH2+]C2CC[NH+](CCSc3ccccc3)CC2)cc1 ZINC001194525684 1052163950 /nfs/dbraw/zinc/16/39/50/1052163950.db2.gz TXCKOTDRCVUQLE-UHFFFAOYSA-N 2 2 326.509 4.033 20 0 EIADLP CCC[N@H+](C[C@@H](O)CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891228 1052201338 /nfs/dbraw/zinc/20/13/38/1052201338.db2.gz BYYCBLUFYDFUOT-QFIPXVFZSA-N 2 2 346.559 4.160 20 0 EIADLP CCC[N@@H+](C[C@@H](O)CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891228 1052201346 /nfs/dbraw/zinc/20/13/46/1052201346.db2.gz BYYCBLUFYDFUOT-QFIPXVFZSA-N 2 2 346.559 4.160 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623508658 1052666089 /nfs/dbraw/zinc/66/60/89/1052666089.db2.gz CVVUHHJWCBABJW-ZBFHGGJFSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623508658 1052666092 /nfs/dbraw/zinc/66/60/92/1052666092.db2.gz CVVUHHJWCBABJW-ZBFHGGJFSA-N 2 2 328.422 4.451 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000623880699 1052829129 /nfs/dbraw/zinc/82/91/29/1052829129.db2.gz QNNXSPOXWYHSQC-LSDHHAIUSA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000623880699 1052829131 /nfs/dbraw/zinc/82/91/31/1052829131.db2.gz QNNXSPOXWYHSQC-LSDHHAIUSA-N 2 2 335.542 4.076 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623880006 1052829150 /nfs/dbraw/zinc/82/91/50/1052829150.db2.gz WHWKAVNHMVZZLS-FUHWJXTLSA-N 2 2 329.513 4.014 20 0 EIADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623880006 1052829152 /nfs/dbraw/zinc/82/91/52/1052829152.db2.gz WHWKAVNHMVZZLS-FUHWJXTLSA-N 2 2 329.513 4.014 20 0 EIADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000623985820 1052844157 /nfs/dbraw/zinc/84/41/57/1052844157.db2.gz DAAMLVXDLIBTMZ-POZUXBRTSA-N 2 2 345.487 4.099 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123478 1052868589 /nfs/dbraw/zinc/86/85/89/1052868589.db2.gz MSCJQNQOHGNYNV-HUUCEWRRSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2F)n1 ZINC000624123478 1052868596 /nfs/dbraw/zinc/86/85/96/1052868596.db2.gz MSCJQNQOHGNYNV-HUUCEWRRSA-N 2 2 347.503 4.332 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124099 1052868817 /nfs/dbraw/zinc/86/88/17/1052868817.db2.gz XFYSWAWCGDUOOD-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000624124099 1052868818 /nfs/dbraw/zinc/86/88/18/1052868818.db2.gz XFYSWAWCGDUOOD-HOTGVXAUSA-N 2 2 329.513 4.193 20 0 EIADLP CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000182504931 1052936775 /nfs/dbraw/zinc/93/67/75/1052936775.db2.gz JQCOIDPSPSRNCW-CALCHBBNSA-N 2 2 348.491 4.068 20 0 EIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCO2 ZINC000850428648 1053203295 /nfs/dbraw/zinc/20/32/95/1053203295.db2.gz JLWRXZDYVOLZOB-INIZCTEOSA-N 2 2 333.435 4.048 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCCO2 ZINC000850428649 1053206381 /nfs/dbraw/zinc/20/63/81/1053206381.db2.gz JLWRXZDYVOLZOB-MRXNPFEDSA-N 2 2 333.435 4.048 20 0 EIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2cscn2)ccc1OC ZINC000850511838 1053271034 /nfs/dbraw/zinc/27/10/34/1053271034.db2.gz OICBRYQHRMQCTL-GJZGRUSLSA-N 2 2 347.528 4.405 20 0 EIADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539320 1053301965 /nfs/dbraw/zinc/30/19/65/1053301965.db2.gz RWMMHEWYLFWDJW-IFMALSPDSA-N 2 2 342.527 4.151 20 0 EIADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C2CCOCC2)cc1 ZINC000850539320 1053301979 /nfs/dbraw/zinc/30/19/79/1053301979.db2.gz RWMMHEWYLFWDJW-IFMALSPDSA-N 2 2 342.527 4.151 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000765251316 1053476607 /nfs/dbraw/zinc/47/66/07/1053476607.db2.gz ONZUNNOSGLMTLX-PKOBYXMFSA-N 2 2 339.483 4.334 20 0 EIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000765357635 1053513793 /nfs/dbraw/zinc/51/37/93/1053513793.db2.gz AYDNSKGHECDQPH-CQSZACIVSA-N 2 2 341.842 4.385 20 0 EIADLP CCC(CC)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000865756441 1053583663 /nfs/dbraw/zinc/58/36/63/1053583663.db2.gz OBDRAADXRZAOET-UHFFFAOYSA-N 2 2 348.375 4.362 20 0 EIADLP CSc1ccccc1[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000866218554 1053653940 /nfs/dbraw/zinc/65/39/40/1053653940.db2.gz RPHPKEOZCHUWBF-FQEVSTJZSA-N 2 2 326.509 4.182 20 0 EIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000121013895 1053693364 /nfs/dbraw/zinc/69/33/64/1053693364.db2.gz SCPZOCKDADWMIR-WMZHIEFXSA-N 2 2 349.522 4.115 20 0 EIADLP CSc1ccccc1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000866360626 1053705319 /nfs/dbraw/zinc/70/53/19/1053705319.db2.gz FRSUSGHOUSQPCY-HRAATJIYSA-N 2 2 349.503 4.368 20 0 EIADLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000866505542 1053756356 /nfs/dbraw/zinc/75/63/56/1053756356.db2.gz ODTGWNPQZGPBDH-UHFFFAOYSA-N 2 2 343.437 4.004 20 0 EIADLP Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000776766329 1053858807 /nfs/dbraw/zinc/85/88/07/1053858807.db2.gz DPNVYEGADASAEX-QGZVFWFLSA-N 2 2 341.499 4.175 20 0 EIADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CCN1c1cc[nH+]cc1 ZINC001197376673 1053897564 /nfs/dbraw/zinc/89/75/64/1053897564.db2.gz GFADCJJLUWSXSX-ZDUSSCGKSA-N 2 2 336.266 4.099 20 0 EIADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CCN1c1cc[nH+]cc1 ZINC001197376673 1053897568 /nfs/dbraw/zinc/89/75/68/1053897568.db2.gz GFADCJJLUWSXSX-ZDUSSCGKSA-N 2 2 336.266 4.099 20 0 EIADLP CCC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633016 1054212634 /nfs/dbraw/zinc/21/26/34/1054212634.db2.gz PEPQOGWTQKJPOK-PZJWPPBQSA-N 2 2 344.543 4.178 20 0 EIADLP CCC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198633016 1054212645 /nfs/dbraw/zinc/21/26/45/1054212645.db2.gz PEPQOGWTQKJPOK-PZJWPPBQSA-N 2 2 344.543 4.178 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001198790780 1054252524 /nfs/dbraw/zinc/25/25/24/1054252524.db2.gz OPCCGNCUGWWXDW-SFHVURJKSA-N 2 2 329.463 4.487 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001198790780 1054252536 /nfs/dbraw/zinc/25/25/36/1054252536.db2.gz OPCCGNCUGWWXDW-SFHVURJKSA-N 2 2 329.463 4.487 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001198791271 1054257900 /nfs/dbraw/zinc/25/79/00/1054257900.db2.gz URJOIJPUMZVTHT-HUUCEWRRSA-N 2 2 325.447 4.253 20 0 EIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001198791271 1054257924 /nfs/dbraw/zinc/25/79/24/1054257924.db2.gz URJOIJPUMZVTHT-HUUCEWRRSA-N 2 2 325.447 4.253 20 0 EIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001198908774 1054312428 /nfs/dbraw/zinc/31/24/28/1054312428.db2.gz ZSWKMZDYXGPNKM-SFHVURJKSA-N 2 2 346.421 4.331 20 0 EIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001198908774 1054312441 /nfs/dbraw/zinc/31/24/41/1054312441.db2.gz ZSWKMZDYXGPNKM-SFHVURJKSA-N 2 2 346.421 4.331 20 0 EIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001199608069 1054432134 /nfs/dbraw/zinc/43/21/34/1054432134.db2.gz BRSJLMLPPUVCPI-OAHLLOKOSA-N 2 2 346.525 4.273 20 0 EIADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904882 1054614746 /nfs/dbraw/zinc/61/47/46/1054614746.db2.gz XSZWBPOTUIXFDD-WDEREUQCSA-N 2 2 344.596 4.445 20 0 EIADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1=CSC(=C2SC=CS2)S1 ZINC001205904882 1054614757 /nfs/dbraw/zinc/61/47/57/1054614757.db2.gz XSZWBPOTUIXFDD-WDEREUQCSA-N 2 2 344.596 4.445 20 0 EIADLP CCCC[C@@H](CC)C[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201558508 1054846953 /nfs/dbraw/zinc/84/69/53/1054846953.db2.gz CEZUPLQMNCFDEM-QZTJIDSGSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201558508 1054846958 /nfs/dbraw/zinc/84/69/58/1054846958.db2.gz CEZUPLQMNCFDEM-QZTJIDSGSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201558508 1054846962 /nfs/dbraw/zinc/84/69/62/1054846962.db2.gz CEZUPLQMNCFDEM-QZTJIDSGSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@@H](CC)C[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201558508 1054846966 /nfs/dbraw/zinc/84/69/66/1054846966.db2.gz CEZUPLQMNCFDEM-QZTJIDSGSA-N 2 2 334.552 4.316 20 0 EIADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566371 1054850788 /nfs/dbraw/zinc/85/07/88/1054850788.db2.gz SPGPANVGVLYGMR-OKZBNKHCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201566371 1054850797 /nfs/dbraw/zinc/85/07/97/1054850797.db2.gz SPGPANVGVLYGMR-OKZBNKHCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201566371 1054850799 /nfs/dbraw/zinc/85/07/99/1054850799.db2.gz SPGPANVGVLYGMR-OKZBNKHCSA-N 2 2 335.561 4.256 20 0 EIADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201566371 1054850802 /nfs/dbraw/zinc/85/08/02/1054850802.db2.gz SPGPANVGVLYGMR-OKZBNKHCSA-N 2 2 335.561 4.256 20 0 EIADLP Clc1csc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000876991472 1054992271 /nfs/dbraw/zinc/99/22/71/1054992271.db2.gz YPFUIODNAJJRIK-UHFFFAOYSA-N 2 2 349.931 4.462 20 0 EIADLP FC(F)(F)CCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001202433271 1055183374 /nfs/dbraw/zinc/18/33/74/1055183374.db2.gz KCQYQPSZNSFUHS-BSDSXHPESA-N 2 2 342.449 4.224 20 0 EIADLP FC(F)(F)CCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001202433271 1055183380 /nfs/dbraw/zinc/18/33/80/1055183380.db2.gz KCQYQPSZNSFUHS-BSDSXHPESA-N 2 2 342.449 4.224 20 0 EIADLP FC(F)(F)CCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001202433271 1055183383 /nfs/dbraw/zinc/18/33/83/1055183383.db2.gz KCQYQPSZNSFUHS-BSDSXHPESA-N 2 2 342.449 4.224 20 0 EIADLP FC(F)(F)CCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001202433271 1055183388 /nfs/dbraw/zinc/18/33/88/1055183388.db2.gz KCQYQPSZNSFUHS-BSDSXHPESA-N 2 2 342.449 4.224 20 0 EIADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2cccnc2)c1 ZINC000765865524 1056034387 /nfs/dbraw/zinc/03/43/87/1056034387.db2.gz FDVRMLLNVILYJQ-JOCHJYFZSA-N 2 2 337.511 4.250 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000921775920 1056528341 /nfs/dbraw/zinc/52/83/41/1056528341.db2.gz ISSUNJNWVGYGFG-PBHICJAKSA-N 2 2 349.931 4.278 20 0 EIADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000921775920 1056528360 /nfs/dbraw/zinc/52/83/60/1056528360.db2.gz ISSUNJNWVGYGFG-PBHICJAKSA-N 2 2 349.931 4.278 20 0 EIADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391322 1058589760 /nfs/dbraw/zinc/58/97/60/1058589760.db2.gz HVPMEVWJAKWPGQ-CQSZACIVSA-N 2 2 343.377 4.325 20 0 EIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccnc(Cl)c1 ZINC000766305771 1059373209 /nfs/dbraw/zinc/37/32/09/1059373209.db2.gz SKPNYYHIYIYFMX-YOEHRIQHSA-N 2 2 340.858 4.103 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379653161 1060139695 /nfs/dbraw/zinc/13/96/95/1060139695.db2.gz YYKBVMLTVVTKRZ-QMMLZNLJSA-N 2 2 335.495 4.102 20 0 EIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379653161 1060139718 /nfs/dbraw/zinc/13/97/18/1060139718.db2.gz YYKBVMLTVVTKRZ-QMMLZNLJSA-N 2 2 335.495 4.102 20 0 EIADLP Clc1ccc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2)c1Cl ZINC000044353165 1060169780 /nfs/dbraw/zinc/16/97/80/1060169780.db2.gz CHMQYJITBPMOAQ-UHFFFAOYSA-N 2 2 332.662 4.413 20 0 EIADLP c1ccc(NC2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)[nH+]c1 ZINC001168931141 1060546550 /nfs/dbraw/zinc/54/65/50/1060546550.db2.gz FUVHFAWGLFULCH-IBGZPJMESA-N 2 2 343.515 4.230 20 0 EIADLP CC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001169270676 1060754418 /nfs/dbraw/zinc/75/44/18/1060754418.db2.gz JDXIJTHERKDHCM-PXNSSMCTSA-N 2 2 349.950 4.020 20 0 EIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1sccc1Br ZINC000037786483 213166608 /nfs/dbraw/zinc/16/66/08/213166608.db2.gz NBINJNKYADJZFS-LLVKDONJSA-N 2 2 345.350 4.424 20 0 EIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1F ZINC000067977628 527373435 /nfs/dbraw/zinc/37/34/35/527373435.db2.gz FKKQCTQZOWTNKW-GUYCJALGSA-N 2 2 339.414 4.326 20 0 EIADLP COc1ccc2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165050472 721973687 /nfs/dbraw/zinc/97/36/87/721973687.db2.gz YKMPXBOVMSONDC-SFHVURJKSA-N 2 2 339.483 4.088 20 0 EIADLP