smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000181906419 529961109 /nfs/dbraw/zinc/96/11/09/529961109.db2.gz DDZWXXWNGSTTTP-CABCVRRESA-N 2 0 337.420 1.608 20 5 EDBDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262278407 139266091 /nfs/dbraw/zinc/26/60/91/139266091.db2.gz UGVHXPOVMYBQOW-HOCLYGCPSA-N 2 0 346.431 1.675 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000433146548 305101799 /nfs/dbraw/zinc/10/17/99/305101799.db2.gz LVVBXWFHOPPPKU-UHFFFAOYSA-N 2 0 349.435 1.326 20 5 EDBDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162575686 442105046 /nfs/dbraw/zinc/10/50/46/442105046.db2.gz BDIYYDQDKJEPMU-QGZVFWFLSA-N 2 0 346.431 1.376 20 5 EDBDRP Cc1cc(NCCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336881345 444829394 /nfs/dbraw/zinc/82/93/94/444829394.db2.gz TVOLZBDSFHOQIY-UHFFFAOYSA-N 2 0 329.404 1.581 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359290133 446125299 /nfs/dbraw/zinc/12/52/99/446125299.db2.gz QVTPOWOTDJYVCD-RYUDHWBXSA-N 2 0 334.376 1.083 20 5 EDBDRP C[C@@H]1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641665 447685007 /nfs/dbraw/zinc/68/50/07/447685007.db2.gz YIWXSMFYVUNPAX-VNHYZAJKSA-N 2 0 346.431 1.789 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484869 448856187 /nfs/dbraw/zinc/85/61/87/448856187.db2.gz GLLADVIDWUXACN-UHFFFAOYSA-N 2 0 336.392 1.745 20 5 EDBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752598 580728976 /nfs/dbraw/zinc/72/89/76/580728976.db2.gz GCQQVRAOUXNWMO-KBPBESRZSA-N 2 0 335.452 1.854 20 5 EDBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C[NH3+] ZINC000843354929 595085511 /nfs/dbraw/zinc/08/55/11/595085511.db2.gz MBUSZKBKLOGOQK-UHFFFAOYSA-N 2 0 326.372 1.979 20 5 EDBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000377933619 158032423 /nfs/dbraw/zinc/03/24/23/158032423.db2.gz WGVOYRGZKPOQKN-UHFFFAOYSA-N 2 0 337.424 1.226 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863739 445347028 /nfs/dbraw/zinc/34/70/28/445347028.db2.gz UUFQZSMHOGMAHN-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000572510497 448397551 /nfs/dbraw/zinc/39/75/51/448397551.db2.gz SLYCYJGBARLXIW-GDBMZVCRSA-N 2 0 346.431 1.327 20 5 EDBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000573594109 448666535 /nfs/dbraw/zinc/66/65/35/448666535.db2.gz UHMFNHKPXDWJMP-GVDBMIGSSA-N 2 0 335.404 1.720 20 5 EDBDRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000593733242 449167570 /nfs/dbraw/zinc/16/75/70/449167570.db2.gz JRSUKEMLGISMLF-XCRHUMRWSA-N 2 0 344.415 1.761 20 5 EDBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600682835 449489835 /nfs/dbraw/zinc/48/98/35/449489835.db2.gz QMLPNUWEFRBNCZ-CJNGLKHVSA-N 2 0 344.419 1.832 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814258 449828262 /nfs/dbraw/zinc/82/82/62/449828262.db2.gz YSEZUNCVABIQAE-DZGCQCFKSA-N 2 0 339.440 1.555 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000903492268 592184913 /nfs/dbraw/zinc/18/49/13/592184913.db2.gz KWHFKVCXDICGFM-JRATXPSKSA-N 2 0 333.388 1.868 20 5 EDBDRP O=C(CC[N@@H+]1CCc2nc[nH]c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859308258 596044614 /nfs/dbraw/zinc/04/46/14/596044614.db2.gz RBVQNLBKSREXIE-UHFFFAOYSA-N 2 0 333.323 1.844 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350346 306328816 /nfs/dbraw/zinc/32/88/16/306328816.db2.gz WZKDKAZCCOWQBA-VXGBXAGGSA-N 2 0 336.392 1.744 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563350342 306329085 /nfs/dbraw/zinc/32/90/85/306329085.db2.gz WZKDKAZCCOWQBA-NEPJUHHUSA-N 2 0 336.392 1.744 20 5 EDBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368265 204233505 /nfs/dbraw/zinc/23/35/05/204233505.db2.gz ZJGJEUAMCDEIIZ-QGZVFWFLSA-N 2 0 348.447 1.685 20 5 EDBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619266 305059309 /nfs/dbraw/zinc/05/93/09/305059309.db2.gz AYNPDBWTPKMTQH-CABCVRRESA-N 2 0 346.431 1.800 20 5 EDBDRP C[C@@]1(C[NH3+])CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000337738153 444382381 /nfs/dbraw/zinc/38/23/81/444382381.db2.gz BOOGNXRSRGHNFU-INIZCTEOSA-N 2 0 334.376 1.564 20 5 EDBDRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571074635 448105242 /nfs/dbraw/zinc/10/52/42/448105242.db2.gz XYPNZAIYPMFMJL-INIZCTEOSA-N 2 0 337.420 1.797 20 5 EDBDRP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCO2 ZINC000592433591 448835837 /nfs/dbraw/zinc/83/58/37/448835837.db2.gz IUWWEKWSEWVKMZ-BETUJISGSA-N 2 0 333.388 1.797 20 5 EDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000595900228 449241867 /nfs/dbraw/zinc/24/18/67/449241867.db2.gz BRMAMSCGLMHLIH-HNNXBMFYSA-N 2 0 346.431 1.905 20 5 EDBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819135414 593740850 /nfs/dbraw/zinc/74/08/50/593740850.db2.gz WJUVZESQKJVUPO-KRWDZBQOSA-N 2 0 336.436 1.244 20 5 EDBDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000819287663 593748448 /nfs/dbraw/zinc/74/84/48/593748448.db2.gz QKOLGXUPSFZQAJ-MRXNPFEDSA-N 2 0 336.436 1.244 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261653914 139214613 /nfs/dbraw/zinc/21/46/13/139214613.db2.gz HNPGCMZSXBSZIE-INIZCTEOSA-N 2 0 336.392 1.603 20 5 EDBDRP Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069269 306019376 /nfs/dbraw/zinc/01/93/76/306019376.db2.gz YIIBCZBWZSFOLM-ZFWWWQNUSA-N 2 0 346.387 1.558 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000420265102 446437751 /nfs/dbraw/zinc/43/77/51/446437751.db2.gz BCGODPVXNXEYAA-UHFFFAOYSA-N 2 0 336.392 1.616 20 5 EDBDRP CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433138166 446535610 /nfs/dbraw/zinc/53/56/10/446535610.db2.gz RDDSVJFYXVRNCD-UHFFFAOYSA-N 2 0 334.420 1.757 20 5 EDBDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390777 446567628 /nfs/dbraw/zinc/56/76/28/446567628.db2.gz ZWCWUFLKOHROME-AWEZNQCLSA-N 2 0 346.391 1.361 20 5 EDBDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000584346575 448491271 /nfs/dbraw/zinc/49/12/71/448491271.db2.gz QGZMSAMKFXFFHH-ZBFHGGJFSA-N 2 0 337.420 1.656 20 5 EDBDRP O=C(CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575117104 449039560 /nfs/dbraw/zinc/03/95/60/449039560.db2.gz ZWLDGCPQBMYZQZ-CYBMUJFWSA-N 2 0 332.404 1.997 20 5 EDBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000600678165 449487066 /nfs/dbraw/zinc/48/70/66/449487066.db2.gz MSYXSTDZIPHQHU-GFCCVEGCSA-N 2 0 336.392 1.409 20 5 EDBDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276591 580413673 /nfs/dbraw/zinc/41/36/73/580413673.db2.gz KTZHUXDDZSRUFR-QGZVFWFLSA-N 2 0 336.436 1.245 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870025488 596714665 /nfs/dbraw/zinc/71/46/65/596714665.db2.gz UVCSLNIRUREUOT-HZPDHXFCSA-N 2 0 348.447 1.335 20 5 EDBDRP CCc1nn(C)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000866011742 596757609 /nfs/dbraw/zinc/75/76/09/596757609.db2.gz KFOIZBSVQYWZEV-CHWSQXEVSA-N 2 0 338.456 1.066 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000866264343 596841947 /nfs/dbraw/zinc/84/19/47/596841947.db2.gz YKIZIQNRAPLIEQ-KGLIPLIRSA-N 2 0 338.427 1.890 20 5 EDBDRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004147088 711558257 /nfs/dbraw/zinc/55/82/57/711558257.db2.gz CQWMXBIRZBKQJO-UHFFFAOYSA-N 2 0 346.431 1.771 20 5 EDBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000557584987 306230025 /nfs/dbraw/zinc/23/00/25/306230025.db2.gz JZMALWYZSGMPEE-GOEBONIOSA-N 2 0 336.436 1.162 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287992 292294955 /nfs/dbraw/zinc/29/49/55/292294955.db2.gz GWUHUPYVYDDVKQ-KGLIPLIRSA-N 2 0 334.420 1.751 20 5 EDBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)cc1 ZINC000414870400 447335733 /nfs/dbraw/zinc/33/57/33/447335733.db2.gz SMNJMNPWWFTJLI-UHFFFAOYSA-N 2 0 330.388 1.850 20 5 EDBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543750 305281913 /nfs/dbraw/zinc/28/19/13/305281913.db2.gz SCCWXCIQZVLIDC-ZIAGYGMSSA-N 2 0 337.424 1.321 20 5 EDBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)n1 ZINC000423185802 319755004 /nfs/dbraw/zinc/75/50/04/319755004.db2.gz NKVSWKJJMDYLHD-GJZGRUSLSA-N 2 0 336.440 1.160 20 5 EDBDRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568741387 321304153 /nfs/dbraw/zinc/30/41/53/321304153.db2.gz SMRGJCPGYOHBSN-QGZVFWFLSA-N 2 0 347.419 1.394 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351487860 446090409 /nfs/dbraw/zinc/09/04/09/446090409.db2.gz CYBDKBNGQVSZJE-UBHSHLNASA-N 2 0 348.403 1.601 20 5 EDBDRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420339019 446510342 /nfs/dbraw/zinc/51/03/42/446510342.db2.gz LLVJOQGMQDQNGY-KGLIPLIRSA-N 2 0 332.404 1.855 20 5 EDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000413180978 447053319 /nfs/dbraw/zinc/05/33/19/447053319.db2.gz YTLURPRFVSSICM-UHFFFAOYSA-N 2 0 327.404 1.839 20 5 EDBDRP C[C@@H]1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641662 447685500 /nfs/dbraw/zinc/68/55/00/447685500.db2.gz YIWXSMFYVUNPAX-IPYPFGDCSA-N 2 0 346.431 1.789 20 5 EDBDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576749633 448131485 /nfs/dbraw/zinc/13/14/85/448131485.db2.gz UWXINIFFIFTWAY-GJZGRUSLSA-N 2 0 337.420 1.656 20 5 EDBDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000567103845 448613725 /nfs/dbraw/zinc/61/37/25/448613725.db2.gz SHCGPZDBDBFKLB-HNNXBMFYSA-N 2 0 337.420 1.656 20 5 EDBDRP O=C(NCC[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047141194 491166821 /nfs/dbraw/zinc/16/68/21/491166821.db2.gz YUGGDWONDMNHFN-UHFFFAOYSA-N 2 0 343.387 1.996 20 5 EDBDRP O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510841 592190522 /nfs/dbraw/zinc/19/05/22/592190522.db2.gz LVXAVJDXVIZBIB-CALCHBBNSA-N 2 0 330.432 1.995 20 5 EDBDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262256482 139264125 /nfs/dbraw/zinc/26/41/25/139264125.db2.gz QSTUNCWDPNVVNG-RDJZCZTQSA-N 2 0 346.431 1.675 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561850 152097700 /nfs/dbraw/zinc/09/77/00/152097700.db2.gz KEILSCNSYSVMAD-QGZVFWFLSA-N 2 0 348.403 1.617 20 5 EDBDRP C[N@@H+]1CC[C@@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264924 289301713 /nfs/dbraw/zinc/30/17/13/289301713.db2.gz ZBBSGHLNYYKIIF-NVXWUHKLSA-N 2 0 335.404 1.362 20 5 EDBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[NH2+]CC1 ZINC000423204126 304889269 /nfs/dbraw/zinc/88/92/69/304889269.db2.gz NQVHSWQLRVZUCP-AWEZNQCLSA-N 2 0 338.477 1.960 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133637247 442427709 /nfs/dbraw/zinc/42/77/09/442427709.db2.gz WNJNBJVUVAOLFT-UHFFFAOYSA-N 2 0 337.424 1.860 20 5 EDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420344947 446516637 /nfs/dbraw/zinc/51/66/37/446516637.db2.gz VCIAWEHIMLGZKJ-UONOGXRCSA-N 2 0 332.404 1.515 20 5 EDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000596101380 449362137 /nfs/dbraw/zinc/36/21/37/449362137.db2.gz GLBXJYXKXLBUJO-UHFFFAOYSA-N 2 0 340.449 1.737 20 5 EDBDRP CC[NH+]1CCN(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602590209 449690463 /nfs/dbraw/zinc/69/04/63/449690463.db2.gz CLWFKCVBCAOKGN-UHFFFAOYSA-N 2 0 347.419 1.853 20 5 EDBDRP Cn1ccnc1[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637623 580901132 /nfs/dbraw/zinc/90/11/32/580901132.db2.gz YZCGTCUXFLFALX-LLVKDONJSA-N 2 0 343.343 1.683 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000819172358 593742665 /nfs/dbraw/zinc/74/26/65/593742665.db2.gz DKAFZWRPQDOOJG-FGTMMUONSA-N 2 0 349.431 1.596 20 5 EDBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877158734 597447157 /nfs/dbraw/zinc/44/71/57/597447157.db2.gz MDYCAVKWPXFMIO-PIMMBPRGSA-N 2 0 325.413 1.441 20 5 EDBDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262278405 139265985 /nfs/dbraw/zinc/26/59/85/139265985.db2.gz UGVHXPOVMYBQOW-GOEBONIOSA-N 2 0 346.431 1.675 20 5 EDBDRP C[C@H]1C[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085357 441875171 /nfs/dbraw/zinc/87/51/71/441875171.db2.gz MZWYQDGKYBKCQD-DZGCQCFKSA-N 2 0 346.431 1.898 20 5 EDBDRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000581369931 322169573 /nfs/dbraw/zinc/16/95/73/322169573.db2.gz BWVMNHCRXXKFSA-QGZVFWFLSA-N 2 0 332.404 1.999 20 5 EDBDRP C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000420409696 446583485 /nfs/dbraw/zinc/58/34/85/446583485.db2.gz QOGNNTOFULVPSX-CHWSQXEVSA-N 2 0 348.403 1.810 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442770544 446961566 /nfs/dbraw/zinc/96/15/66/446961566.db2.gz XWALPVJMZZSUFS-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057884 446999897 /nfs/dbraw/zinc/99/98/97/446999897.db2.gz IPHKHBHAXRLEEU-CJNGLKHVSA-N 2 0 332.404 1.761 20 5 EDBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572869852 448486219 /nfs/dbraw/zinc/48/62/19/448486219.db2.gz UBHKNMAIRBSNTH-GOEBONIOSA-N 2 0 339.440 1.396 20 5 EDBDRP C[NH+](C)C1CCN(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587991569 448851251 /nfs/dbraw/zinc/85/12/51/448851251.db2.gz TWRDZSAZKIUCKA-UHFFFAOYSA-N 2 0 337.424 1.107 20 5 EDBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843351163 595083933 /nfs/dbraw/zinc/08/39/33/595083933.db2.gz GZEKCMFZKRUEPE-UHFFFAOYSA-N 2 0 338.383 1.994 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000843073743 595281206 /nfs/dbraw/zinc/28/12/06/595281206.db2.gz UNPFBBOCLCMYEO-DLBZAZTESA-N 2 0 337.420 1.455 20 5 EDBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000415134886 304162978 /nfs/dbraw/zinc/16/29/78/304162978.db2.gz FKYOMKUCWGLYSD-ZBFHGGJFSA-N 2 0 335.379 1.934 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430939017 305069383 /nfs/dbraw/zinc/06/93/83/305069383.db2.gz JYDUVCIVPLWQNL-WCQYABFASA-N 2 0 336.392 1.601 20 5 EDBDRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430972144 305071824 /nfs/dbraw/zinc/07/18/24/305071824.db2.gz REGGHQNEBDHIKN-LBPRGKRZSA-N 2 0 336.392 1.473 20 5 EDBDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385522 446561264 /nfs/dbraw/zinc/56/12/64/446561264.db2.gz SYSFLFMLASXWAD-INIZCTEOSA-N 2 0 330.392 1.525 20 5 EDBDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000420390781 446566064 /nfs/dbraw/zinc/56/60/64/446566064.db2.gz ZWCWUFLKOHROME-CQSZACIVSA-N 2 0 346.391 1.361 20 5 EDBDRP CC[N@H+](C)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000573860357 448731388 /nfs/dbraw/zinc/73/13/88/448731388.db2.gz SLARPIKALBXFPI-OAHLLOKOSA-N 2 0 337.420 1.751 20 5 EDBDRP Cn1cc(C[N@H+](C)CCOCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600778306 449544797 /nfs/dbraw/zinc/54/47/97/449544797.db2.gz XYVJZHPVKKNJFO-UHFFFAOYSA-N 2 0 333.392 1.402 20 5 EDBDRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000596653441 449588546 /nfs/dbraw/zinc/58/85/46/449588546.db2.gz KKXKBERYQXQWGZ-RYUDHWBXSA-N 2 0 347.379 1.019 20 5 EDBDRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602520247 449646886 /nfs/dbraw/zinc/64/68/86/449646886.db2.gz LUTXYZQTMCAVDN-CQSZACIVSA-N 2 0 333.436 1.890 20 5 EDBDRP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000755253428 579923684 /nfs/dbraw/zinc/92/36/84/579923684.db2.gz TUXZLSXDBJASKU-CCEZHUSRSA-N 2 0 348.447 1.950 20 5 EDBDRP C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[N@H+](C)[C@H]3C)c2[N+](=O)[O-])CC[NH+]1C ZINC000895734851 591264592 /nfs/dbraw/zinc/26/45/92/591264592.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 2 0 349.439 1.394 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C[NH+](C)C ZINC000866012983 596757996 /nfs/dbraw/zinc/75/79/96/596757996.db2.gz YQMUQMHXJWEMFT-VXGBXAGGSA-N 2 0 348.407 1.307 20 5 EDBDRP CC[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958852 598117020 /nfs/dbraw/zinc/11/70/20/598117020.db2.gz MLGGDGYQXLJQBM-QWHCGFSZSA-N 2 0 349.439 1.397 20 5 EDBDRP O=[N+]([O-])c1cnccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340157168 142286435 /nfs/dbraw/zinc/28/64/35/142286435.db2.gz CLRXRZYARVVLNW-UHFFFAOYSA-N 2 0 342.403 1.431 20 5 EDBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619276 305059403 /nfs/dbraw/zinc/05/94/03/305059403.db2.gz AYNPDBWTPKMTQH-LSDHHAIUSA-N 2 0 346.431 1.800 20 5 EDBDRP C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000430957613 305070711 /nfs/dbraw/zinc/07/07/11/305070711.db2.gz TUYZXOZIWQLZJX-WCQYABFASA-N 2 0 334.376 1.562 20 5 EDBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503702 319112676 /nfs/dbraw/zinc/11/26/76/319112676.db2.gz FFRSNDIVIIXDQO-ZDUSSCGKSA-N 2 0 332.404 1.997 20 5 EDBDRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420339021 446509678 /nfs/dbraw/zinc/50/96/78/446509678.db2.gz LLVJOQGMQDQNGY-ZIAGYGMSSA-N 2 0 332.404 1.855 20 5 EDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420344946 446517609 /nfs/dbraw/zinc/51/76/09/446517609.db2.gz VCIAWEHIMLGZKJ-KGLIPLIRSA-N 2 0 332.404 1.515 20 5 EDBDRP [NH3+]CC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423040705 447796273 /nfs/dbraw/zinc/79/62/73/447796273.db2.gz UVFLETKFFYMBJT-UHFFFAOYSA-N 2 0 341.433 1.476 20 5 EDBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000843072032 595280408 /nfs/dbraw/zinc/28/04/08/595280408.db2.gz DWWCPQPMQIAHKF-IRXDYDNUSA-N 2 0 337.420 1.455 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000565157902 306376429 /nfs/dbraw/zinc/37/64/29/306376429.db2.gz QTTRWKRCOBPXPY-NEPJUHHUSA-N 2 0 336.392 1.744 20 5 EDBDRP CN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431028330 305073077 /nfs/dbraw/zinc/07/30/77/305073077.db2.gz PFPNHJJAPWARSG-UHFFFAOYSA-N 2 0 332.404 1.633 20 5 EDBDRP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000432077559 305086815 /nfs/dbraw/zinc/08/68/15/305086815.db2.gz JOUDQFOQLQAYGJ-CYBMUJFWSA-N 2 0 330.392 1.814 20 5 EDBDRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000341182915 444714593 /nfs/dbraw/zinc/71/45/93/444714593.db2.gz HCMKEJVDNTWIAD-MRXNPFEDSA-N 2 0 337.420 1.608 20 5 EDBDRP O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)nc1NCC[NH+]1CCCC1 ZINC000434080019 446620115 /nfs/dbraw/zinc/62/01/15/446620115.db2.gz GXDXWLIMBOGDPC-UHFFFAOYSA-N 2 0 348.451 2.005 20 5 EDBDRP C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000420409698 446583717 /nfs/dbraw/zinc/58/37/17/446583717.db2.gz QOGNNTOFULVPSX-QWHCGFSZSA-N 2 0 348.403 1.810 20 5 EDBDRP C[NH+]1CCC2(CCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000899909583 591976321 /nfs/dbraw/zinc/97/63/21/591976321.db2.gz DDUVLRJFFNOYEC-CQSZACIVSA-N 2 0 335.404 1.505 20 5 EDBDRP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989711 304148835 /nfs/dbraw/zinc/14/88/35/304148835.db2.gz QWAPQFDYZUHYCY-CYBMUJFWSA-N 2 0 332.326 1.521 20 5 EDBDRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000284465775 274211842 /nfs/dbraw/zinc/21/18/42/274211842.db2.gz HUHAPNJKINAIEP-CZUORRHYSA-N 2 0 329.360 1.438 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621284 305059501 /nfs/dbraw/zinc/05/95/01/305059501.db2.gz CTDPIZFCPUJYFY-LBPRGKRZSA-N 2 0 336.392 1.603 20 5 EDBDRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000351479567 446080574 /nfs/dbraw/zinc/08/05/74/446080574.db2.gz RXXDDXCFEDGBDO-MPESAESLSA-N 2 0 330.388 1.369 20 5 EDBDRP C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285133 446451169 /nfs/dbraw/zinc/45/11/69/446451169.db2.gz DVCMUBHBIDCIIV-GFCCVEGCSA-N 2 0 336.392 1.616 20 5 EDBDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451105342 447684704 /nfs/dbraw/zinc/68/47/04/447684704.db2.gz MHWFQRYASGSEEP-ZDUSSCGKSA-N 2 0 346.431 1.988 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592485224 448856946 /nfs/dbraw/zinc/85/69/46/448856946.db2.gz RYFFTDVHGDSOFT-UHFFFAOYSA-N 2 0 336.392 1.745 20 5 EDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337579687 535595536 /nfs/dbraw/zinc/59/55/36/535595536.db2.gz MOGLYAIVOCTGKS-ZDUSSCGKSA-N 2 0 337.424 1.411 20 5 EDBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559067 593642775 /nfs/dbraw/zinc/64/27/75/593642775.db2.gz WOLDVXRRXVTAAM-AWEZNQCLSA-N 2 0 335.452 1.855 20 5 EDBDRP CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000843347955 595082443 /nfs/dbraw/zinc/08/24/43/595082443.db2.gz ZHBDCNYHRAAPCB-UHFFFAOYSA-N 2 0 326.784 1.871 20 5 EDBDRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997308073 703566387 /nfs/dbraw/zinc/56/63/87/703566387.db2.gz ZCKHTJGDLMDYMZ-UHFFFAOYSA-N 2 0 346.431 1.771 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430942995 305069870 /nfs/dbraw/zinc/06/98/70/305069870.db2.gz NTSKOUNOGFIBEF-AAEUAGOBSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134194 305307395 /nfs/dbraw/zinc/30/73/95/305307395.db2.gz HJLNMXJECCAAQE-HOCLYGCPSA-N 2 0 348.447 1.703 20 5 EDBDRP Cc1sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104533173 441197038 /nfs/dbraw/zinc/19/70/38/441197038.db2.gz SYCDDQIEVHDDBN-UHFFFAOYSA-N 2 0 328.438 1.530 20 5 EDBDRP Cc1cc(NCC(=O)N2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326385402 444375241 /nfs/dbraw/zinc/37/52/41/444375241.db2.gz ZPPVKHGBMKPXRO-UHFFFAOYSA-N 2 0 329.360 1.295 20 5 EDBDRP [NH3+]CC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000443060968 447001259 /nfs/dbraw/zinc/00/12/59/447001259.db2.gz QIKGPGJRBMQZHM-ZDUSSCGKSA-N 2 0 348.403 1.954 20 5 EDBDRP CNc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000531118908 448023246 /nfs/dbraw/zinc/02/32/46/448023246.db2.gz IMHDQVCAKPFEJB-UHFFFAOYSA-N 2 0 337.424 1.202 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281645 448304793 /nfs/dbraw/zinc/30/47/93/448304793.db2.gz HQUUAECNPKCDSM-OAHLLOKOSA-N 2 0 349.387 1.378 20 5 EDBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171122 448650386 /nfs/dbraw/zinc/65/03/86/448650386.db2.gz QZBNNOBAVMXLEH-GDBMZVCRSA-N 2 0 339.440 1.110 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472312 448852069 /nfs/dbraw/zinc/85/20/69/448852069.db2.gz XEAXNLQYQIOBGS-UHFFFAOYSA-N 2 0 349.435 1.069 20 5 EDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493531 448861919 /nfs/dbraw/zinc/86/19/19/448861919.db2.gz UKNJUMVAABFSBL-GJZGRUSLSA-N 2 0 346.431 1.905 20 5 EDBDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000602878844 449886934 /nfs/dbraw/zinc/88/69/34/449886934.db2.gz ZHUXXIZPDOGFGC-UHFFFAOYSA-N 2 0 332.404 1.611 20 5 EDBDRP Cc1noc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595330972 450045953 /nfs/dbraw/zinc/04/59/53/450045953.db2.gz GOOFYSZAAPHSCP-UHFFFAOYSA-N 2 0 338.408 1.968 20 5 EDBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055765 593736251 /nfs/dbraw/zinc/73/62/51/593736251.db2.gz YRIMAHUDKZPEKB-QAPCUYQASA-N 2 0 348.447 1.386 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870017459 596709665 /nfs/dbraw/zinc/70/96/65/596709665.db2.gz OLUCKZYHTZOMGN-ZIAGYGMSSA-N 2 0 328.457 1.020 20 5 EDBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000866240966 596836451 /nfs/dbraw/zinc/83/64/51/596836451.db2.gz RULHBOBOMMNBRL-WFASDCNBSA-N 2 0 325.384 1.711 20 5 EDBDRP C[NH+]1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000414483074 304118593 /nfs/dbraw/zinc/11/85/93/304118593.db2.gz MIPPXEFHEKZHQY-UHFFFAOYSA-N 2 0 348.447 1.481 20 5 EDBDRP Cc1c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000195519284 139019357 /nfs/dbraw/zinc/01/93/57/139019357.db2.gz YRDMKTWTNYGBSQ-UHFFFAOYSA-N 2 0 348.447 1.793 20 5 EDBDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000424329528 252195945 /nfs/dbraw/zinc/19/59/45/252195945.db2.gz GTPFGPRDRCMLRI-CHWSQXEVSA-N 2 0 334.376 1.752 20 5 EDBDRP O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000347197960 143293829 /nfs/dbraw/zinc/29/38/29/143293829.db2.gz IIRUBDGFULVFMC-OAHLLOKOSA-N 2 0 332.404 1.239 20 5 EDBDRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430972143 305071846 /nfs/dbraw/zinc/07/18/46/305071846.db2.gz REGGHQNEBDHIKN-GFCCVEGCSA-N 2 0 336.392 1.473 20 5 EDBDRP C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000449130998 305307296 /nfs/dbraw/zinc/30/72/96/305307296.db2.gz JIYSUEDRYQHRJD-HOTGVXAUSA-N 2 0 334.464 1.999 20 5 EDBDRP Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069266 306019274 /nfs/dbraw/zinc/01/92/74/306019274.db2.gz YIIBCZBWZSFOLM-DZGCQCFKSA-N 2 0 346.387 1.558 20 5 EDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046885190 441134063 /nfs/dbraw/zinc/13/40/63/441134063.db2.gz CQUNNUUILRSASO-UHFFFAOYSA-N 2 0 325.413 1.269 20 5 EDBDRP Cn1cnc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299561329 444079955 /nfs/dbraw/zinc/07/99/55/444079955.db2.gz NNJHAWHWSWQISB-UHFFFAOYSA-N 2 0 345.407 1.348 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444983 322052842 /nfs/dbraw/zinc/05/28/42/322052842.db2.gz DIRJLBDWRMTGOF-GHMZBOCLSA-N 2 0 325.365 1.362 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442770542 446961286 /nfs/dbraw/zinc/96/12/86/446961286.db2.gz XWALPVJMZZSUFS-NEPJUHHUSA-N 2 0 336.392 1.601 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000579702431 448856558 /nfs/dbraw/zinc/85/65/58/448856558.db2.gz UTWKHWQPVARKLQ-INIZCTEOSA-N 2 0 349.431 1.799 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596639808 449581018 /nfs/dbraw/zinc/58/10/18/449581018.db2.gz ZXVSPUJXAUEKLR-UHFFFAOYSA-N 2 0 337.424 1.908 20 5 EDBDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000154159331 529152435 /nfs/dbraw/zinc/15/24/35/529152435.db2.gz PJQBVGRRZQOHBH-ROUUACIJSA-N 2 0 348.447 1.340 20 5 EDBDRP COc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903092529 592122064 /nfs/dbraw/zinc/12/20/64/592122064.db2.gz LCYQAKBUWSOQSV-ZIAGYGMSSA-N 2 0 336.436 1.890 20 5 EDBDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557412 593642603 /nfs/dbraw/zinc/64/26/03/593642603.db2.gz UKAVVNQLXMAIOF-CYBMUJFWSA-N 2 0 335.452 1.854 20 5 EDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175294 593742857 /nfs/dbraw/zinc/74/28/57/593742857.db2.gz WDEZQQIDWFZCNS-KZNAEPCWSA-N 2 0 349.431 1.596 20 5 EDBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000863552343 596616306 /nfs/dbraw/zinc/61/63/06/596616306.db2.gz XQFCHWJNKKJCMV-CVEARBPZSA-N 2 0 346.387 1.352 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870024530 596714619 /nfs/dbraw/zinc/71/46/19/596714619.db2.gz FBDQQAVUWSDNAM-HZPDHXFCSA-N 2 0 348.447 1.335 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870025440 596714699 /nfs/dbraw/zinc/71/46/99/596714699.db2.gz RWOVPLNCVMTFKF-HUUCEWRRSA-N 2 0 334.420 1.406 20 5 EDBDRP C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000181906393 529961123 /nfs/dbraw/zinc/96/11/23/529961123.db2.gz DDZWXXWNGSTTTP-GJZGRUSLSA-N 2 0 337.420 1.608 20 5 EDBDRP C[NH2+]CC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430935773 305069181 /nfs/dbraw/zinc/06/91/81/305069181.db2.gz RITOFWPLAUCZEI-UHFFFAOYSA-N 2 0 348.403 1.824 20 5 EDBDRP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000431037701 305073383 /nfs/dbraw/zinc/07/33/83/305073383.db2.gz PBHXZGCDMJOMDM-MRXNPFEDSA-N 2 0 344.415 1.776 20 5 EDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531635470 305963956 /nfs/dbraw/zinc/96/39/56/305963956.db2.gz OYQTVZJCVSCWBU-UHFFFAOYSA-N 2 0 337.424 1.335 20 5 EDBDRP Cc1c(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000423810587 319815086 /nfs/dbraw/zinc/81/50/86/319815086.db2.gz OGGSZXLPXKQTIK-UHFFFAOYSA-N 2 0 334.420 1.723 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342099473 445171354 /nfs/dbraw/zinc/17/13/54/445171354.db2.gz JSPXBBGAMDGYJW-UBHSHLNASA-N 2 0 348.403 1.601 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479525 446080178 /nfs/dbraw/zinc/08/01/78/446080178.db2.gz RKPBSTSPKBMXEL-IACUBPJLSA-N 2 0 348.403 1.601 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486457 446086695 /nfs/dbraw/zinc/08/66/95/446086695.db2.gz AWKPJQCZAQVSFS-AEGPPILISA-N 2 0 332.404 1.901 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000532514545 448268046 /nfs/dbraw/zinc/26/80/46/448268046.db2.gz UNFSEQIOMCUJJG-CZUORRHYSA-N 2 0 334.420 1.894 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000532514543 448268287 /nfs/dbraw/zinc/26/82/87/448268287.db2.gz UNFSEQIOMCUJJG-BBRMVZONSA-N 2 0 334.420 1.894 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000578324920 448516004 /nfs/dbraw/zinc/51/60/04/448516004.db2.gz NRFIZOKHMLJLCY-DLBZAZTESA-N 2 0 348.447 1.650 20 5 EDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000596104419 449363168 /nfs/dbraw/zinc/36/31/68/449363168.db2.gz DRKWEAGVHPNNLR-UHFFFAOYSA-N 2 0 348.447 1.983 20 5 EDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602837280 449847220 /nfs/dbraw/zinc/84/72/20/449847220.db2.gz KZRWAKSEOWVYFY-UHFFFAOYSA-N 2 0 338.456 1.105 20 5 EDBDRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091438 592119175 /nfs/dbraw/zinc/11/91/75/592119175.db2.gz UEQCNURASUNAMT-ZIAGYGMSSA-N 2 0 336.436 1.890 20 5 EDBDRP Cc1cnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000905703762 592616351 /nfs/dbraw/zinc/61/63/51/592616351.db2.gz PGFLYRKUFRBPLM-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870023004 596713170 /nfs/dbraw/zinc/71/31/70/596713170.db2.gz IDZYUCKMJUWXSJ-CHWSQXEVSA-N 2 0 340.449 1.468 20 5 EDBDRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262256481 139264068 /nfs/dbraw/zinc/26/40/68/139264068.db2.gz QSTUNCWDPNVVNG-NVXWUHKLSA-N 2 0 346.431 1.675 20 5 EDBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000360541783 152086637 /nfs/dbraw/zinc/08/66/37/152086637.db2.gz AVONVLYUBJISIF-QGZVFWFLSA-N 2 0 332.404 1.917 20 5 EDBDRP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H](C)N1C ZINC000452152559 305385261 /nfs/dbraw/zinc/38/52/61/305385261.db2.gz NGVQNOCSLVHURK-BETUJISGSA-N 2 0 343.387 1.945 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444984 322052691 /nfs/dbraw/zinc/05/26/91/322052691.db2.gz DIRJLBDWRMTGOF-MNOVXSKESA-N 2 0 325.365 1.362 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864937 445347600 /nfs/dbraw/zinc/34/76/00/445347600.db2.gz ZWLMCNKOKQVONM-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420382507 446558573 /nfs/dbraw/zinc/55/85/73/446558573.db2.gz SFSIZDTXPVQUMF-KRWDZBQOSA-N 2 0 332.404 1.999 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000595908440 449245924 /nfs/dbraw/zinc/24/59/24/449245924.db2.gz IGVPJAHZHLRVGG-UHFFFAOYSA-N 2 0 334.376 1.355 20 5 EDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055764 593736172 /nfs/dbraw/zinc/73/61/72/593736172.db2.gz YRIMAHUDKZPEKB-MAUKXSAKSA-N 2 0 348.447 1.386 20 5 EDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175296 593742750 /nfs/dbraw/zinc/74/27/50/593742750.db2.gz WDEZQQIDWFZCNS-RCCFBDPRSA-N 2 0 349.431 1.596 20 5 EDBDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262256479 139264141 /nfs/dbraw/zinc/26/41/41/139264141.db2.gz QSTUNCWDPNVVNG-DOTOQJQBSA-N 2 0 346.431 1.675 20 5 EDBDRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000269075061 161547684 /nfs/dbraw/zinc/54/76/84/161547684.db2.gz YGADXSNZFCUGIT-MRXNPFEDSA-N 2 0 333.432 1.962 20 5 EDBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543747 305281950 /nfs/dbraw/zinc/28/19/50/305281950.db2.gz SCCWXCIQZVLIDC-KBPBESRZSA-N 2 0 337.424 1.321 20 5 EDBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174883683 441978005 /nfs/dbraw/zinc/97/80/05/441978005.db2.gz VZWSASZFKCEJPR-UHFFFAOYSA-N 2 0 337.424 1.368 20 5 EDBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000442788620 446967849 /nfs/dbraw/zinc/96/78/49/446967849.db2.gz YCHQSWRAZNJVHK-VXGBXAGGSA-N 2 0 334.376 1.562 20 5 EDBDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000584346572 448491537 /nfs/dbraw/zinc/49/15/37/448491537.db2.gz QGZMSAMKFXFFHH-GDBMZVCRSA-N 2 0 337.420 1.656 20 5 EDBDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000579703616 448856752 /nfs/dbraw/zinc/85/67/52/448856752.db2.gz PBYMZIDYVTUYRJ-CQSZACIVSA-N 2 0 325.413 1.005 20 5 EDBDRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000596655292 449589814 /nfs/dbraw/zinc/58/98/14/449589814.db2.gz UJOLMHAAURWFNI-CQSZACIVSA-N 2 0 343.387 1.660 20 5 EDBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513288 449642438 /nfs/dbraw/zinc/64/24/38/449642438.db2.gz BOSJAWBVXJNWSB-ZDUSSCGKSA-N 2 0 347.419 1.852 20 5 EDBDRP C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CC[NH+](C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735763 591264778 /nfs/dbraw/zinc/26/47/78/591264778.db2.gz GZDVLTWHJWMCNR-RQJABVFESA-N 2 0 348.451 1.999 20 5 EDBDRP COc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903092526 592121903 /nfs/dbraw/zinc/12/19/03/592121903.db2.gz LCYQAKBUWSOQSV-KBPBESRZSA-N 2 0 336.436 1.890 20 5 EDBDRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843367382 595089967 /nfs/dbraw/zinc/08/99/67/595089967.db2.gz FXUUMHJELRNYRM-MRXNPFEDSA-N 2 0 336.367 1.748 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)o1 ZINC000414867546 250871278 /nfs/dbraw/zinc/87/12/78/250871278.db2.gz OONQGKICYBEGKU-UHFFFAOYSA-N 2 0 330.388 1.850 20 5 EDBDRP Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000262307195 443189368 /nfs/dbraw/zinc/18/93/68/443189368.db2.gz YJRJINLRAWBQMK-OAHLLOKOSA-N 2 0 341.415 1.935 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430578688 447780897 /nfs/dbraw/zinc/78/08/97/447780897.db2.gz FKOGSCHECLPMER-OLZOCXBDSA-N 2 0 348.403 1.758 20 5 EDBDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576749635 448132050 /nfs/dbraw/zinc/13/20/50/448132050.db2.gz UWXINIFFIFTWAY-HUUCEWRRSA-N 2 0 337.420 1.656 20 5 EDBDRP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000573137995 448553376 /nfs/dbraw/zinc/55/33/76/448553376.db2.gz CFXGBFWXHZWMHT-GXTWGEPZSA-N 2 0 341.371 1.200 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261678338 536760704 /nfs/dbraw/zinc/76/07/04/536760704.db2.gz JTSMRHFRAOHMDO-INIZCTEOSA-N 2 0 336.392 1.603 20 5 EDBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000776578707 580421969 /nfs/dbraw/zinc/42/19/69/580421969.db2.gz IKOYGBOHRNHLCT-SFHVURJKSA-N 2 0 349.431 1.672 20 5 EDBDRP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CC[NH3+] ZINC000903497458 592188342 /nfs/dbraw/zinc/18/83/42/592188342.db2.gz XWTIZTOMRGSNLD-IOASZLSFSA-N 2 0 332.404 1.617 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023117 596713149 /nfs/dbraw/zinc/71/31/49/596713149.db2.gz MAPKHNSYGZNBFO-HUUCEWRRSA-N 2 0 348.447 1.715 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374242 139106021 /nfs/dbraw/zinc/10/60/21/139106021.db2.gz JPSSONWIEBQCIJ-HOCLYGCPSA-N 2 0 339.440 1.518 20 5 EDBDRP O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000347197956 143293777 /nfs/dbraw/zinc/29/37/77/143293777.db2.gz IIRUBDGFULVFMC-HNNXBMFYSA-N 2 0 332.404 1.239 20 5 EDBDRP Cc1c(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000120872523 287365386 /nfs/dbraw/zinc/36/53/86/287365386.db2.gz PBFZWQHAYWUYFL-UHFFFAOYSA-N 2 0 336.436 1.398 20 5 EDBDRP C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156231 442248804 /nfs/dbraw/zinc/24/88/04/442248804.db2.gz DIPHMLFBSCHYCZ-HIFRSBDPSA-N 2 0 334.420 1.833 20 5 EDBDRP CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745369 445476541 /nfs/dbraw/zinc/47/65/41/445476541.db2.gz ZTXJENOWKIABEU-YOEHRIQHSA-N 2 0 346.431 1.974 20 5 EDBDRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358515845 445627534 /nfs/dbraw/zinc/62/75/34/445627534.db2.gz NPGSLBZSOWFJSQ-UHFFFAOYSA-N 2 0 344.415 1.559 20 5 EDBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757517 448705335 /nfs/dbraw/zinc/70/53/35/448705335.db2.gz DLRJNMIEXDBEIF-RBSFLKMASA-N 2 0 337.420 1.797 20 5 EDBDRP C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000819058254 593736309 /nfs/dbraw/zinc/73/63/09/593736309.db2.gz HBEJDGPXTKFZLP-RHSMWYFYSA-N 2 0 336.436 1.101 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000819172359 593742612 /nfs/dbraw/zinc/74/26/12/593742612.db2.gz DKAFZWRPQDOOJG-KZNAEPCWSA-N 2 0 349.431 1.596 20 5 EDBDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563617862 306342248 /nfs/dbraw/zinc/34/22/48/306342248.db2.gz JUYVWGGFBWHERB-YMAMQOFZSA-N 2 0 337.420 1.797 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989568 304148856 /nfs/dbraw/zinc/14/88/56/304148856.db2.gz QQHYJWMZFJQCJM-CYBMUJFWSA-N 2 0 332.326 1.521 20 5 EDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000195519160 139019222 /nfs/dbraw/zinc/01/92/22/139019222.db2.gz PKLRAJVBORUMPM-UHFFFAOYSA-N 2 0 334.420 1.485 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261611503 139210951 /nfs/dbraw/zinc/21/09/51/139210951.db2.gz BJAHTQKXMRKOFX-MRXNPFEDSA-N 2 0 336.392 1.603 20 5 EDBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293790040 303019396 /nfs/dbraw/zinc/01/93/96/303019396.db2.gz QOFAANGIYRMQRZ-AWEZNQCLSA-N 2 0 335.452 1.855 20 5 EDBDRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069268 306019326 /nfs/dbraw/zinc/01/93/26/306019326.db2.gz YIIBCZBWZSFOLM-UKRRQHHQSA-N 2 0 346.387 1.558 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531357846 320656720 /nfs/dbraw/zinc/65/67/20/320656720.db2.gz PVKPTAMEBWQRFA-UHFFFAOYSA-N 2 0 348.403 1.906 20 5 EDBDRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000576749481 321592642 /nfs/dbraw/zinc/59/26/42/321592642.db2.gz QINHHZFKRGZOHD-HNNXBMFYSA-N 2 0 337.420 1.656 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342099471 445171466 /nfs/dbraw/zinc/17/14/66/445171466.db2.gz JSPXBBGAMDGYJW-FPMFFAJLSA-N 2 0 348.403 1.601 20 5 EDBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000593737662 449172063 /nfs/dbraw/zinc/17/20/63/449172063.db2.gz SJNJWKLGKVXWGS-GUYCJALGSA-N 2 0 332.404 1.984 20 5 EDBDRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602520246 449646347 /nfs/dbraw/zinc/64/63/47/449646347.db2.gz LUTXYZQTMCAVDN-AWEZNQCLSA-N 2 0 333.436 1.890 20 5 EDBDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000602878532 449887180 /nfs/dbraw/zinc/88/71/80/449887180.db2.gz YFDTUPLSTFZAKA-INIZCTEOSA-N 2 0 349.431 1.752 20 5 EDBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752601 580729038 /nfs/dbraw/zinc/72/90/38/580729038.db2.gz GCQQVRAOUXNWMO-KGLIPLIRSA-N 2 0 335.452 1.854 20 5 EDBDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000903967436 592402520 /nfs/dbraw/zinc/40/25/20/592402520.db2.gz JLRRSNZZVGTCND-OCCSQVGLSA-N 2 0 329.404 1.940 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C[NH+](C)C ZINC000866010853 596757031 /nfs/dbraw/zinc/75/70/31/596757031.db2.gz PWRRVKJORZQAPH-VXGBXAGGSA-N 2 0 325.388 1.305 20 5 EDBDRP Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000557584989 306230010 /nfs/dbraw/zinc/23/00/10/306230010.db2.gz JZMALWYZSGMPEE-HOCLYGCPSA-N 2 0 336.436 1.162 20 5 EDBDRP COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1[N+](=O)[O-] ZINC000415061876 304155623 /nfs/dbraw/zinc/15/56/23/304155623.db2.gz YYXBDDWJVVWINS-UHFFFAOYSA-N 2 0 348.447 1.909 20 5 EDBDRP CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237110659 139040888 /nfs/dbraw/zinc/04/08/88/139040888.db2.gz ZOQHHIPGBZVWJD-UHFFFAOYSA-N 2 0 329.360 1.605 20 5 EDBDRP C[N@@H+]1CC[C@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264928 289301543 /nfs/dbraw/zinc/30/15/43/289301543.db2.gz ZBBSGHLNYYKIIF-WBVHZDCISA-N 2 0 335.404 1.362 20 5 EDBDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370492 441413785 /nfs/dbraw/zinc/41/37/85/441413785.db2.gz UYVVTYFODDNMOU-KRWDZBQOSA-N 2 0 348.447 1.685 20 5 EDBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431022938 319937051 /nfs/dbraw/zinc/93/70/51/319937051.db2.gz PLNBFJIDZZZYKC-ZDUSSCGKSA-N 2 0 332.404 1.997 20 5 EDBDRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420382511 446559640 /nfs/dbraw/zinc/55/96/40/446559640.db2.gz SFSIZDTXPVQUMF-QGZVFWFLSA-N 2 0 332.404 1.999 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000591726508 448473278 /nfs/dbraw/zinc/47/32/78/448473278.db2.gz CMABQPURHIHPHX-IIAWOOMASA-N 2 0 335.404 1.551 20 5 EDBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000567492539 448701348 /nfs/dbraw/zinc/70/13/48/448701348.db2.gz FCKJQJSIBUUICM-GOEBONIOSA-N 2 0 337.420 1.656 20 5 EDBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596654566 449588135 /nfs/dbraw/zinc/58/81/35/449588135.db2.gz QEIAHLILSYWXBW-NSHDSACASA-N 2 0 331.376 1.660 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000595019536 449842423 /nfs/dbraw/zinc/84/24/23/449842423.db2.gz QPBFXJHZCNRYGT-KGLIPLIRSA-N 2 0 336.436 1.890 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1 ZINC000841045266 591331818 /nfs/dbraw/zinc/33/18/18/591331818.db2.gz QVDNOSLDEKKWDV-UHFFFAOYSA-N 2 0 333.436 1.058 20 5 EDBDRP COc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091437 592118982 /nfs/dbraw/zinc/11/89/82/592118982.db2.gz UEQCNURASUNAMT-UONOGXRCSA-N 2 0 336.436 1.890 20 5 EDBDRP O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC[NH2+]CC3)o2)cc1 ZINC000904397861 592252889 /nfs/dbraw/zinc/25/28/89/592252889.db2.gz IXRHXPCLOYDLAG-UHFFFAOYSA-N 2 0 330.388 1.850 20 5 EDBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815560084 593642724 /nfs/dbraw/zinc/64/27/24/593642724.db2.gz XRQKKVZBQIFRQJ-KGLIPLIRSA-N 2 0 335.452 1.854 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021514 596711875 /nfs/dbraw/zinc/71/18/75/596711875.db2.gz HIGOLYPCPZWBOR-HUUCEWRRSA-N 2 0 348.447 1.715 20 5 EDBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424285938 252189534 /nfs/dbraw/zinc/18/95/34/252189534.db2.gz GKOFTQIRPYPCMM-CYBMUJFWSA-N 2 0 332.404 1.997 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360561170 152097072 /nfs/dbraw/zinc/09/70/72/152097072.db2.gz IGYVABWLPMVMAT-QGZVFWFLSA-N 2 0 348.403 1.617 20 5 EDBDRP Cc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000367880323 154310443 /nfs/dbraw/zinc/31/04/43/154310443.db2.gz UAYVETZGGDJVPT-UHFFFAOYSA-N 2 0 346.431 1.642 20 5 EDBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000362618587 274352648 /nfs/dbraw/zinc/35/26/48/274352648.db2.gz BEGOTVLKEVGAKO-BMFZPTHFSA-N 2 0 337.424 1.270 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430963374 305071282 /nfs/dbraw/zinc/07/12/82/305071282.db2.gz UQXTUHUPBKRNOD-WCQYABFASA-N 2 0 336.392 1.601 20 5 EDBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000176287565 442205121 /nfs/dbraw/zinc/20/51/21/442205121.db2.gz COEAMJWSGNWAGP-UHFFFAOYSA-N 2 0 337.424 1.368 20 5 EDBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12 ZINC000351474174 446074784 /nfs/dbraw/zinc/07/47/84/446074784.db2.gz FUMQIQWUAJRBIR-FPMFFAJLSA-N 2 0 346.387 1.562 20 5 EDBDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368985 446549668 /nfs/dbraw/zinc/54/96/68/446549668.db2.gz BBQAXPWKKCGRKJ-HNNXBMFYSA-N 2 0 346.391 1.361 20 5 EDBDRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000422641663 447685200 /nfs/dbraw/zinc/68/52/00/447685200.db2.gz YIWXSMFYVUNPAX-NFAWXSAZSA-N 2 0 346.431 1.789 20 5 EDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493533 448862199 /nfs/dbraw/zinc/86/21/99/448862199.db2.gz UKNJUMVAABFSBL-LSDHHAIUSA-N 2 0 346.431 1.905 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903719431 592281537 /nfs/dbraw/zinc/28/15/37/592281537.db2.gz ZOVLOWHSLPNAEN-ROUUACIJSA-N 2 0 346.431 1.485 20 5 EDBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903741394 592302964 /nfs/dbraw/zinc/30/29/64/592302964.db2.gz PIIVMDOFDICDQB-UKPHBRMFSA-N 2 0 347.419 1.245 20 5 EDBDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819391373 593753153 /nfs/dbraw/zinc/75/31/53/593753153.db2.gz YNOODKVIWLBTIK-QGZVFWFLSA-N 2 0 336.436 1.244 20 5 EDBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000866264342 596841820 /nfs/dbraw/zinc/84/18/20/596841820.db2.gz YKIZIQNRAPLIEQ-KBPBESRZSA-N 2 0 338.427 1.890 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563350345 306328914 /nfs/dbraw/zinc/32/89/14/306328914.db2.gz WZKDKAZCCOWQBA-RYUDHWBXSA-N 2 0 336.392 1.744 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000565157903 306376451 /nfs/dbraw/zinc/37/64/51/306376451.db2.gz QTTRWKRCOBPXPY-NWDGAFQWSA-N 2 0 336.392 1.744 20 5 EDBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000372353226 156348588 /nfs/dbraw/zinc/34/85/88/156348588.db2.gz DCUJGTUFRQKHCY-QLFBSQMISA-N 2 0 337.424 1.270 20 5 EDBDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411457247 319183157 /nfs/dbraw/zinc/18/31/57/319183157.db2.gz NFTPROFLYMRWKE-CYBMUJFWSA-N 2 0 334.420 1.846 20 5 EDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH2+]CC2)n1 ZINC000423185804 446447984 /nfs/dbraw/zinc/44/79/84/446447984.db2.gz NKVSWKJJMDYLHD-LSDHHAIUSA-N 2 0 336.440 1.160 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344621 446516915 /nfs/dbraw/zinc/51/69/15/446516915.db2.gz UDEYOXTWIBYCGX-OKILXGFUSA-N 2 0 332.404 1.773 20 5 EDBDRP C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000591739735 448478660 /nfs/dbraw/zinc/47/86/60/448478660.db2.gz XAILNCADTHTDAS-CZUORRHYSA-N 2 0 337.420 1.654 20 5 EDBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000574270306 448831425 /nfs/dbraw/zinc/83/14/25/448831425.db2.gz ATVDDCDUKCGDSC-INIZCTEOSA-N 2 0 333.392 1.004 20 5 EDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000596110838 449366965 /nfs/dbraw/zinc/36/69/65/449366965.db2.gz UWSKREXBNGFIIM-UHFFFAOYSA-N 2 0 334.420 1.675 20 5 EDBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600682831 449489073 /nfs/dbraw/zinc/48/90/73/449489073.db2.gz QMLPNUWEFRBNCZ-BBRMVZONSA-N 2 0 344.419 1.832 20 5 EDBDRP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595506871 450194238 /nfs/dbraw/zinc/19/42/38/450194238.db2.gz IFINBQIKPCABBG-AEFFLSMTSA-N 2 0 349.431 1.752 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261678343 536761774 /nfs/dbraw/zinc/76/17/74/536761774.db2.gz JTSMRHFRAOHMDO-MRXNPFEDSA-N 2 0 336.392 1.603 20 5 EDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000819052716 593735951 /nfs/dbraw/zinc/73/59/51/593735951.db2.gz CHIISMFPYDKKBM-MAUKXSAKSA-N 2 0 348.447 1.386 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543692637 306066764 /nfs/dbraw/zinc/06/67/64/306066764.db2.gz POZBHASWSIXIIG-UHFFFAOYSA-N 2 0 341.387 1.691 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351487859 446090116 /nfs/dbraw/zinc/09/01/16/446090116.db2.gz CYBDKBNGQVSZJE-IACUBPJLSA-N 2 0 348.403 1.601 20 5 EDBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000442788617 446967907 /nfs/dbraw/zinc/96/79/07/446967907.db2.gz YCHQSWRAZNJVHK-NWDGAFQWSA-N 2 0 334.376 1.562 20 5 EDBDRP C[C@]12C[NH2+]C[C@@]1(C)CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745777 449530624 /nfs/dbraw/zinc/53/06/24/449530624.db2.gz PTRQLMPATNQWRQ-RYQLBKOJSA-N 2 0 344.415 1.632 20 5 EDBDRP Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018739 596710837 /nfs/dbraw/zinc/71/08/37/596710837.db2.gz GJVQPWBKUHUECS-HUUCEWRRSA-N 2 0 348.447 1.715 20 5 EDBDRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004148839 711562307 /nfs/dbraw/zinc/56/23/07/711562307.db2.gz WIUPTWNNDPEXPI-UHFFFAOYSA-N 2 0 346.431 1.771 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415031154 304152660 /nfs/dbraw/zinc/15/26/60/304152660.db2.gz GOBFUZSSLDPIEJ-DGCLKSJQSA-N 2 0 337.376 1.364 20 5 EDBDRP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000277117089 273180454 /nfs/dbraw/zinc/18/04/54/273180454.db2.gz NOQVYLAISNJUBU-WDEREUQCSA-N 2 0 339.444 1.417 20 5 EDBDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000182968736 442857754 /nfs/dbraw/zinc/85/77/54/442857754.db2.gz OFWZTJBNIAAPJP-UHFFFAOYSA-N 2 0 336.436 1.543 20 5 EDBDRP C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000265943282 442978846 /nfs/dbraw/zinc/97/88/46/442978846.db2.gz GEQMPOKCTPSUMY-HOCLYGCPSA-N 2 0 337.420 1.608 20 5 EDBDRP Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302457053 444213862 /nfs/dbraw/zinc/21/38/62/444213862.db2.gz TXXKVBGZUILQOT-ZDUSSCGKSA-N 2 0 330.388 1.954 20 5 EDBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000351474634 446075031 /nfs/dbraw/zinc/07/50/31/446075031.db2.gz GNHBLBYOCGFKST-IHRRRGAJSA-N 2 0 332.404 1.901 20 5 EDBDRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922594 448629772 /nfs/dbraw/zinc/62/97/72/448629772.db2.gz LJMVFPNQVKWMSY-OAHLLOKOSA-N 2 0 337.420 1.797 20 5 EDBDRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ccc2[N+](=O)[O-])CC[NH+]1C ZINC000895735761 591264552 /nfs/dbraw/zinc/26/45/52/591264552.db2.gz GZDVLTWHJWMCNR-AAVRWANBSA-N 2 0 348.451 1.999 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087695 594849375 /nfs/dbraw/zinc/84/93/75/594849375.db2.gz VCSHOWMRSXOIAQ-KRWDZBQOSA-N 2 0 334.420 1.532 20 5 EDBDRP [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346200 595081232 /nfs/dbraw/zinc/08/12/32/595081232.db2.gz FDLORNLJYHGQIA-JTQLQIEISA-N 2 0 326.784 1.857 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181903864 234373762 /nfs/dbraw/zinc/37/37/62/234373762.db2.gz STUDXHNJTZOHLM-HZPDHXFCSA-N 2 0 349.431 1.752 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263215083 139328740 /nfs/dbraw/zinc/32/87/40/139328740.db2.gz KURXPRSKOPQVKN-XHDPSFHLSA-N 2 0 333.413 1.993 20 5 EDBDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284271328 274141137 /nfs/dbraw/zinc/14/11/37/274141137.db2.gz WWYDHCGKODIKHO-CYBMUJFWSA-N 2 0 335.452 1.854 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000583867321 326154812 /nfs/dbraw/zinc/15/48/12/326154812.db2.gz AEUHINVWGKFRDR-QGZVFWFLSA-N 2 0 349.431 1.941 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442770543 446961504 /nfs/dbraw/zinc/96/15/04/446961504.db2.gz XWALPVJMZZSUFS-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430559481 447778560 /nfs/dbraw/zinc/77/85/60/447778560.db2.gz XHGRQLAHDDMHKN-QWHCGFSZSA-N 2 0 348.403 1.952 20 5 EDBDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000578950048 448673690 /nfs/dbraw/zinc/67/36/90/448673690.db2.gz QCJNQOXNRQVISS-IIAWOOMASA-N 2 0 339.440 1.110 20 5 EDBDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704225 449758511 /nfs/dbraw/zinc/75/85/11/449758511.db2.gz DOZZOEUYUFFFGD-AKAXFMLLSA-N 2 0 333.436 1.888 20 5 EDBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872223707 596843007 /nfs/dbraw/zinc/84/30/07/596843007.db2.gz WIAWHKNUXXFEFC-INIZCTEOSA-N 2 0 339.440 1.252 20 5 EDBDRP CC[NH+]1CCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877145569 597442606 /nfs/dbraw/zinc/44/26/06/597442606.db2.gz LVLDZIKZTZUCNS-UHFFFAOYSA-N 2 0 336.440 1.112 20 5 EDBDRP CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561026469 306281510 /nfs/dbraw/zinc/28/15/10/306281510.db2.gz FGFKDVHDBFYFMV-LBPRGKRZSA-N 2 0 337.380 1.100 20 5 EDBDRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000414695169 304128623 /nfs/dbraw/zinc/12/86/23/304128623.db2.gz OGROHNLDCGMFGJ-ZDUSSCGKSA-N 2 0 332.404 1.150 20 5 EDBDRP COC(=O)COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262013697 139243948 /nfs/dbraw/zinc/24/39/48/139243948.db2.gz VIJXNYMRKLMEKL-UHFFFAOYSA-N 2 0 337.376 1.317 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430963372 305071288 /nfs/dbraw/zinc/07/12/88/305071288.db2.gz UQXTUHUPBKRNOD-AAEUAGOBSA-N 2 0 336.392 1.601 20 5 EDBDRP C[N@@H+]1CCC[C@@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363180065 445710215 /nfs/dbraw/zinc/71/02/15/445710215.db2.gz WVDOOZPMGSIHLD-GOSISDBHSA-N 2 0 332.448 1.849 20 5 EDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351480874 446080692 /nfs/dbraw/zinc/08/06/92/446080692.db2.gz WAHVZKHOZQPYGO-IACUBPJLSA-N 2 0 348.403 1.601 20 5 EDBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000573594108 448666754 /nfs/dbraw/zinc/66/67/54/448666754.db2.gz UHMFNHKPXDWJMP-BRWVUGGUSA-N 2 0 335.404 1.720 20 5 EDBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000573594110 448666842 /nfs/dbraw/zinc/66/68/42/448666842.db2.gz UHMFNHKPXDWJMP-IXDOHACOSA-N 2 0 335.404 1.720 20 5 EDBDRP C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000519141450 448746054 /nfs/dbraw/zinc/74/60/54/448746054.db2.gz HIRXFBHXIOAWRO-HIFRSBDPSA-N 2 0 339.436 1.900 20 5 EDBDRP Cc1ccc(NCCC[NH2+]C[C@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000600724364 449519734 /nfs/dbraw/zinc/51/97/34/449519734.db2.gz NOORSVXLUZXTOW-HNNXBMFYSA-N 2 0 336.436 1.752 20 5 EDBDRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000596653443 449588238 /nfs/dbraw/zinc/58/82/38/449588238.db2.gz KKXKBERYQXQWGZ-VXGBXAGGSA-N 2 0 347.379 1.019 20 5 EDBDRP Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000870025052 596714660 /nfs/dbraw/zinc/71/46/60/596714660.db2.gz MCWQTTLASDAFLJ-HUUCEWRRSA-N 2 0 348.447 1.715 20 5 EDBDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000123221088 222238433 /nfs/dbraw/zinc/23/84/33/222238433.db2.gz SXZNJTKSHCJPAX-INIZCTEOSA-N 2 0 339.440 1.206 20 5 EDBDRP C[C@H]([NH3+])C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430953510 305070603 /nfs/dbraw/zinc/07/06/03/305070603.db2.gz BYGRDBHKEVDMTD-LBPRGKRZSA-N 2 0 348.403 1.952 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414934934 447364309 /nfs/dbraw/zinc/36/43/09/447364309.db2.gz YJHAFFSSKUEPOQ-CHWSQXEVSA-N 2 0 337.376 1.506 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000433153629 319972810 /nfs/dbraw/zinc/97/28/10/319972810.db2.gz WWPLOSNKGOKYAM-UHFFFAOYSA-N 2 0 332.404 1.687 20 5 EDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480873 446081357 /nfs/dbraw/zinc/08/13/57/446081357.db2.gz WAHVZKHOZQPYGO-FPMFFAJLSA-N 2 0 348.403 1.601 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359293321 446128340 /nfs/dbraw/zinc/12/83/40/446128340.db2.gz UVWSOFMMZAHTAR-VXGBXAGGSA-N 2 0 334.376 1.083 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287991 446452273 /nfs/dbraw/zinc/45/22/73/446452273.db2.gz GWUHUPYVYDDVKQ-KBPBESRZSA-N 2 0 334.420 1.751 20 5 EDBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323848 446490043 /nfs/dbraw/zinc/49/00/43/446490043.db2.gz ABVPPZGITCCXII-MCIONIFRSA-N 2 0 332.404 1.853 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433143228 446537640 /nfs/dbraw/zinc/53/76/40/446537640.db2.gz YAXOCGAUCYRKIF-UHFFFAOYSA-N 2 0 349.435 1.326 20 5 EDBDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597739 447280273 /nfs/dbraw/zinc/28/02/73/447280273.db2.gz GPWYUJRQSGGIJJ-ZIAGYGMSSA-N 2 0 325.413 1.443 20 5 EDBDRP C[NH+]1CCC2(CC1)CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000879250788 597864797 /nfs/dbraw/zinc/86/47/97/597864797.db2.gz ZMKVEQXBXYRFCD-UHFFFAOYSA-N 2 0 334.420 1.564 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414836438 304146388 /nfs/dbraw/zinc/14/63/88/304146388.db2.gz SLJHWMLAGPCHHO-LBPRGKRZSA-N 2 0 337.376 1.236 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554869 152093202 /nfs/dbraw/zinc/09/32/02/152093202.db2.gz ZGVQNWPYBZXIKJ-KRWDZBQOSA-N 2 0 332.404 1.917 20 5 EDBDRP Cc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000277117085 273180443 /nfs/dbraw/zinc/18/04/43/273180443.db2.gz NOQVYLAISNJUBU-MNOVXSKESA-N 2 0 339.444 1.417 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414862902 447332847 /nfs/dbraw/zinc/33/28/47/447332847.db2.gz AEAVQMXYSMBOTR-RDJZCZTQSA-N 2 0 332.448 1.801 20 5 EDBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543749 305281939 /nfs/dbraw/zinc/28/19/39/305281939.db2.gz SCCWXCIQZVLIDC-UONOGXRCSA-N 2 0 337.424 1.321 20 5 EDBDRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000554550874 306195315 /nfs/dbraw/zinc/19/53/15/306195315.db2.gz TXCTYUVUSBRFBH-KBPBESRZSA-N 2 0 327.429 1.108 20 5 EDBDRP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104532713 441196885 /nfs/dbraw/zinc/19/68/85/441196885.db2.gz JMTBJPBQHIYTLA-UHFFFAOYSA-N 2 0 338.408 1.169 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000305165529 444262141 /nfs/dbraw/zinc/26/21/41/444262141.db2.gz HJHHHZDSDTZUMC-GOSISDBHSA-N 2 0 349.431 1.672 20 5 EDBDRP [NH3+]CC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000443060966 447001994 /nfs/dbraw/zinc/00/19/94/447001994.db2.gz QIKGPGJRBMQZHM-CYBMUJFWSA-N 2 0 348.403 1.954 20 5 EDBDRP C[C@@H]1C[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000422641664 447685360 /nfs/dbraw/zinc/68/53/60/447685360.db2.gz YIWXSMFYVUNPAX-UMVBOHGHSA-N 2 0 346.431 1.789 20 5 EDBDRP C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602581375 449687467 /nfs/dbraw/zinc/68/74/67/449687467.db2.gz IZFXNBWTCHVLOX-UHFFFAOYSA-N 2 0 331.420 1.810 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000765292532 580139541 /nfs/dbraw/zinc/13/95/41/580139541.db2.gz VVGIQZRGWFENPK-SFHVURJKSA-N 2 0 348.447 1.610 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000904397854 592252754 /nfs/dbraw/zinc/25/27/54/592252754.db2.gz IHSIXTSOJRKJKW-UHFFFAOYSA-N 2 0 330.388 1.850 20 5 EDBDRP Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000878373805 597598308 /nfs/dbraw/zinc/59/83/08/597598308.db2.gz USKVFKPYIRNGHD-CYBMUJFWSA-N 2 0 334.420 1.764 20 5 EDBDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441183469 305218484 /nfs/dbraw/zinc/21/84/84/305218484.db2.gz LVAWZJIJTVKPLK-INIZCTEOSA-N 2 0 339.440 1.206 20 5 EDBDRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000265872517 442952927 /nfs/dbraw/zinc/95/29/27/442952927.db2.gz MOFVKDPRTCRQPN-UHFFFAOYSA-N 2 0 339.392 1.158 20 5 EDBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503699 319112791 /nfs/dbraw/zinc/11/27/91/319112791.db2.gz FFRSNDIVIIXDQO-CYBMUJFWSA-N 2 0 332.404 1.997 20 5 EDBDRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000367899163 446606436 /nfs/dbraw/zinc/60/64/36/446606436.db2.gz BLFCTSRCUWUXBY-LBPRGKRZSA-N 2 0 347.419 1.075 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442776914 446963028 /nfs/dbraw/zinc/96/30/28/446963028.db2.gz HXNRAHOUELLFEQ-NEPJUHHUSA-N 2 0 336.392 1.601 20 5 EDBDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000859211962 596005759 /nfs/dbraw/zinc/00/57/59/596005759.db2.gz IAHLPFCOKLEDHM-UHFFFAOYSA-N 2 0 344.415 1.950 20 5 EDBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709197 596303303 /nfs/dbraw/zinc/30/33/03/596303303.db2.gz ITXXUSCNZYIDBL-OJDYBEQGSA-N 2 0 346.387 1.523 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000866240964 596836421 /nfs/dbraw/zinc/83/64/21/596836421.db2.gz RULHBOBOMMNBRL-IUODEOHRSA-N 2 0 325.384 1.711 20 5 EDBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129307671 223042865 /nfs/dbraw/zinc/04/28/65/223042865.db2.gz PQFGVVODLOPKMH-HNNXBMFYSA-N 2 0 335.404 1.628 20 5 EDBDRP COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424339422 252198128 /nfs/dbraw/zinc/19/81/28/252198128.db2.gz VWAUGVIAJCOLFT-CHWSQXEVSA-N 2 0 336.392 1.792 20 5 EDBDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332521594 141195522 /nfs/dbraw/zinc/19/55/22/141195522.db2.gz ZKDYXNCXMMTTMV-UHFFFAOYSA-N 2 0 347.463 1.764 20 5 EDBDRP CC1(C[NH+]2CCOCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000371371155 446812891 /nfs/dbraw/zinc/81/28/91/446812891.db2.gz AOEHCSMCMIOBAH-UHFFFAOYSA-N 2 0 337.424 1.226 20 5 EDBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431022936 447789880 /nfs/dbraw/zinc/78/98/80/447789880.db2.gz PLNBFJIDZZZYKC-CYBMUJFWSA-N 2 0 332.404 1.997 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000531122437 448023529 /nfs/dbraw/zinc/02/35/29/448023529.db2.gz XJCFKVXUIHWYMD-UHFFFAOYSA-N 2 0 326.372 1.299 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726506 448473698 /nfs/dbraw/zinc/47/36/98/448473698.db2.gz ANGNTQKGJWSYRV-SOUVJXGZSA-N 2 0 335.404 1.551 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726504 448474248 /nfs/dbraw/zinc/47/42/48/448474248.db2.gz ANGNTQKGJWSYRV-RBSFLKMASA-N 2 0 335.404 1.551 20 5 EDBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000584346574 448491587 /nfs/dbraw/zinc/49/15/87/448491587.db2.gz QGZMSAMKFXFFHH-HOCLYGCPSA-N 2 0 337.420 1.656 20 5 EDBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171124 448650327 /nfs/dbraw/zinc/65/03/27/448650327.db2.gz QZBNNOBAVMXLEH-HOCLYGCPSA-N 2 0 339.440 1.110 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472102 448851913 /nfs/dbraw/zinc/85/19/13/448851913.db2.gz LFZDTFNGBYMMEX-UHFFFAOYSA-N 2 0 349.435 1.069 20 5 EDBDRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596359616 449481833 /nfs/dbraw/zinc/48/18/33/449481833.db2.gz CWBNGZMABFJXJS-LBPRGKRZSA-N 2 0 339.440 1.353 20 5 EDBDRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595506875 450194787 /nfs/dbraw/zinc/19/47/87/450194787.db2.gz IFINBQIKPCABBG-SJLPKXTDSA-N 2 0 349.431 1.752 20 5 EDBDRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000903843473 592343082 /nfs/dbraw/zinc/34/30/82/592343082.db2.gz LNWZBTJUQQVQCY-APYUEPQZSA-N 2 0 330.388 1.512 20 5 EDBDRP CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CC[NH+](CC)CC1 ZINC000344143227 283269146 /nfs/dbraw/zinc/26/91/46/283269146.db2.gz MTKZFYCCDLKQHA-UHFFFAOYSA-N 2 0 338.456 1.141 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414984359 447385531 /nfs/dbraw/zinc/38/55/31/447385531.db2.gz LXWNUEVQASANFS-CQSZACIVSA-N 2 0 346.353 1.829 20 5 EDBDRP [NH3+]CC1(O)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000565043659 321166309 /nfs/dbraw/zinc/16/63/09/321166309.db2.gz HKDLPMFTDDXTBE-UHFFFAOYSA-N 2 0 346.387 1.578 20 5 EDBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342142700 444531790 /nfs/dbraw/zinc/53/17/90/444531790.db2.gz VZBLBSCPZYLDQV-VBNZEHGJSA-N 2 0 332.404 1.983 20 5 EDBDRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000351479566 446080514 /nfs/dbraw/zinc/08/05/14/446080514.db2.gz RXXDDXCFEDGBDO-CAPXZKIUSA-N 2 0 330.388 1.369 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000595005050 449839697 /nfs/dbraw/zinc/83/96/97/449839697.db2.gz WFQKNWDXMJDOFC-CQSZACIVSA-N 2 0 336.436 1.892 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000595014528 449841946 /nfs/dbraw/zinc/84/19/46/449841946.db2.gz WLWLPZHKEKTLLB-ZIAGYGMSSA-N 2 0 336.436 1.890 20 5 EDBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261973506 139240995 /nfs/dbraw/zinc/24/09/95/139240995.db2.gz QNMCQDPESJDZOU-GFCCVEGCSA-N 2 0 340.811 1.535 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263215079 139328637 /nfs/dbraw/zinc/32/86/37/139328637.db2.gz KURXPRSKOPQVKN-ABAIWWIYSA-N 2 0 333.413 1.993 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614710 305059178 /nfs/dbraw/zinc/05/91/78/305059178.db2.gz ZYYSZZNLHOBJIL-LBPRGKRZSA-N 2 0 336.392 1.603 20 5 EDBDRP C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000265943283 442978790 /nfs/dbraw/zinc/97/87/90/442978790.db2.gz GEQMPOKCTPSUMY-ZBFHGGJFSA-N 2 0 337.420 1.608 20 5 EDBDRP C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285365355 443957518 /nfs/dbraw/zinc/95/75/18/443957518.db2.gz BSLXPFNYAZGNAZ-QXULXFAOSA-N 2 0 349.431 1.892 20 5 EDBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342142696 444531477 /nfs/dbraw/zinc/53/14/77/444531477.db2.gz VZBLBSCPZYLDQV-DAXOMENPSA-N 2 0 332.404 1.983 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486460 446086113 /nfs/dbraw/zinc/08/61/13/446086113.db2.gz AWKPJQCZAQVSFS-QEJZJMRPSA-N 2 0 332.404 1.901 20 5 EDBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323850 446489764 /nfs/dbraw/zinc/48/97/64/446489764.db2.gz ABVPPZGITCCXII-MELADBBJSA-N 2 0 332.404 1.853 20 5 EDBDRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420343751 446515498 /nfs/dbraw/zinc/51/54/98/446515498.db2.gz RELMXOKWTGRNCW-CABCVRRESA-N 2 0 346.431 1.879 20 5 EDBDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787707 448025592 /nfs/dbraw/zinc/02/55/92/448025592.db2.gz WYKARWHWOASPMH-MRXNPFEDSA-N 2 0 339.440 1.204 20 5 EDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000596110736 449367115 /nfs/dbraw/zinc/36/71/15/449367115.db2.gz SRKHJHAYVSVMQF-UHFFFAOYSA-N 2 0 334.420 1.675 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602814261 449827396 /nfs/dbraw/zinc/82/73/96/449827396.db2.gz YSEZUNCVABIQAE-ZFWWWQNUSA-N 2 0 339.440 1.555 20 5 EDBDRP Cn1ccnc1[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637624 580901164 /nfs/dbraw/zinc/90/11/64/580901164.db2.gz YZCGTCUXFLFALX-NSHDSACASA-N 2 0 343.343 1.683 20 5 EDBDRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000903440150 592169826 /nfs/dbraw/zinc/16/98/26/592169826.db2.gz UWNPVKWHYBDVBH-DZGCQCFKSA-N 2 0 332.404 1.480 20 5 EDBDRP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736967 592299183 /nfs/dbraw/zinc/29/91/83/592299183.db2.gz ODMZLUYEFNJQES-MSOLQXFVSA-N 2 0 346.431 1.485 20 5 EDBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877405421 597510957 /nfs/dbraw/zinc/51/09/57/597510957.db2.gz KFKHNSGABQHBRI-NFOMZHRRSA-N 2 0 336.440 1.110 20 5 EDBDRP O=[N+]([O-])c1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989714 304148700 /nfs/dbraw/zinc/14/87/00/304148700.db2.gz QWAPQFDYZUHYCY-ZDUSSCGKSA-N 2 0 332.326 1.521 20 5 EDBDRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000554550877 306195218 /nfs/dbraw/zinc/19/52/18/306195218.db2.gz TXCTYUVUSBRFBH-ZIAGYGMSSA-N 2 0 327.429 1.108 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359290135 446125227 /nfs/dbraw/zinc/12/52/27/446125227.db2.gz QVTPOWOTDJYVCD-TXEJJXNPSA-N 2 0 334.376 1.083 20 5 EDBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423042442 447795907 /nfs/dbraw/zinc/79/59/07/447795907.db2.gz ZEPNGVYAMJRKPA-SWLSCSKDSA-N 2 0 341.433 1.476 20 5 EDBDRP O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CCC[N@H+]3CCCO)c2c1 ZINC000601169828 449730772 /nfs/dbraw/zinc/73/07/72/449730772.db2.gz GVZCJZPYFQYLPO-AWEZNQCLSA-N 2 0 330.388 1.824 20 5 EDBDRP C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000819058322 593736325 /nfs/dbraw/zinc/73/63/25/593736325.db2.gz IEVQKGFBFHFJNY-PBHICJAKSA-N 2 0 336.436 1.101 20 5 EDBDRP C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000563953262 306353245 /nfs/dbraw/zinc/35/32/45/306353245.db2.gz FOEOGYUCOWVFKP-CZUORRHYSA-N 2 0 335.404 1.575 20 5 EDBDRP O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245585355 139080209 /nfs/dbraw/zinc/08/02/09/139080209.db2.gz LWIAVHIHKHOTNT-WMLDXEAASA-N 2 0 346.431 1.705 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423181767 252044655 /nfs/dbraw/zinc/04/46/55/252044655.db2.gz PMFNMKREECKYJX-QGZVFWFLSA-N 2 0 332.448 1.801 20 5 EDBDRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430923952 305068552 /nfs/dbraw/zinc/06/85/52/305068552.db2.gz HBPIUDAJVXDYGJ-LBPRGKRZSA-N 2 0 336.392 1.473 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503412 319112615 /nfs/dbraw/zinc/11/26/15/319112615.db2.gz GAIUQBZYWMGXLY-UHFFFAOYSA-N 2 0 332.404 1.917 20 5 EDBDRP Cc1c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000436067828 320018657 /nfs/dbraw/zinc/01/86/57/320018657.db2.gz UUEHQQPGTRJSTC-HNNXBMFYSA-N 2 0 334.420 1.723 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342099472 445171229 /nfs/dbraw/zinc/17/12/29/445171229.db2.gz JSPXBBGAMDGYJW-IACUBPJLSA-N 2 0 348.403 1.601 20 5 EDBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351474633 446075680 /nfs/dbraw/zinc/07/56/80/446075680.db2.gz GNHBLBYOCGFKST-BFHYXJOUSA-N 2 0 332.404 1.901 20 5 EDBDRP [NH3+]CC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420277785 446446341 /nfs/dbraw/zinc/44/63/41/446446341.db2.gz UOAKAQRPWFKAPF-UHFFFAOYSA-N 2 0 327.406 1.039 20 5 EDBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000584346573 448491289 /nfs/dbraw/zinc/49/12/89/448491289.db2.gz QGZMSAMKFXFFHH-GOEBONIOSA-N 2 0 337.420 1.656 20 5 EDBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757519 448705840 /nfs/dbraw/zinc/70/58/40/448705840.db2.gz DLRJNMIEXDBEIF-ZNMIVQPWSA-N 2 0 337.420 1.797 20 5 EDBDRP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000574034345 448774692 /nfs/dbraw/zinc/77/46/92/448774692.db2.gz XBSPYYLBAYYIRM-HIFRSBDPSA-N 2 0 335.404 1.575 20 5 EDBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000599062705 449713758 /nfs/dbraw/zinc/71/37/58/449713758.db2.gz QMXDYZPZJHNFJK-PBHICJAKSA-N 2 0 348.447 1.845 20 5 EDBDRP COc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903060284 592111707 /nfs/dbraw/zinc/11/17/07/592111707.db2.gz VOKKYWNBQYLPLF-CQSZACIVSA-N 2 0 336.436 1.892 20 5 EDBDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557413 593642586 /nfs/dbraw/zinc/64/25/86/593642586.db2.gz UKAVVNQLXMAIOF-ZDUSSCGKSA-N 2 0 335.452 1.854 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866012178 596757569 /nfs/dbraw/zinc/75/75/69/596757569.db2.gz SNVUATFWLMIDLB-VXGBXAGGSA-N 2 0 341.843 1.819 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560366 152095848 /nfs/dbraw/zinc/09/58/48/152095848.db2.gz FTXYSNGGDIGYNN-QGZVFWFLSA-N 2 0 332.404 1.917 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561847 152097343 /nfs/dbraw/zinc/09/73/43/152097343.db2.gz KEILSCNSYSVMAD-KRWDZBQOSA-N 2 0 348.403 1.617 20 5 EDBDRP O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000273672098 273051442 /nfs/dbraw/zinc/05/14/42/273051442.db2.gz XVAKMTQPOZRGPY-UHFFFAOYSA-N 2 0 343.391 1.404 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422550463 304872152 /nfs/dbraw/zinc/87/21/52/304872152.db2.gz BEIJTKUBQLAHCO-UHFFFAOYSA-N 2 0 325.365 1.364 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859297 445345080 /nfs/dbraw/zinc/34/50/80/445345080.db2.gz CPZGFNTZCDHNJZ-VXGBXAGGSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[N@H+](C)[C@H]3C)c2[N+](=O)[O-])CC[NH+]1C ZINC000895734853 591264651 /nfs/dbraw/zinc/26/46/51/591264651.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 2 0 349.439 1.394 20 5 EDBDRP Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905704950 592617525 /nfs/dbraw/zinc/61/75/25/592617525.db2.gz UMJVVKIARKPXSI-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433157083 305101969 /nfs/dbraw/zinc/10/19/69/305101969.db2.gz LFLPTKCQYMMVKE-UHFFFAOYSA-N 2 0 334.420 1.457 20 5 EDBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568502598 321294923 /nfs/dbraw/zinc/29/49/23/321294923.db2.gz VGFXXBGNMXLIGP-QGZVFWFLSA-N 2 0 347.419 1.046 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864938 445347688 /nfs/dbraw/zinc/34/76/88/445347688.db2.gz ZWLMCNKOKQVONM-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486458 446085997 /nfs/dbraw/zinc/08/59/97/446085997.db2.gz AWKPJQCZAQVSFS-CFVMTHIKSA-N 2 0 332.404 1.901 20 5 EDBDRP COc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359296488 446130541 /nfs/dbraw/zinc/13/05/41/446130541.db2.gz CYQRUXKPPYOSHF-RYUDHWBXSA-N 2 0 334.376 1.083 20 5 EDBDRP Cc1c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cccc1[N+](=O)[O-] ZINC000420385306 446560575 /nfs/dbraw/zinc/56/05/75/446560575.db2.gz SRWLOZVBOWJSRL-OAHLLOKOSA-N 2 0 330.392 1.791 20 5 EDBDRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057885 447000148 /nfs/dbraw/zinc/00/01/48/447000148.db2.gz IPHKHBHAXRLEEU-CZUORRHYSA-N 2 0 332.404 1.761 20 5 EDBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516563597 448439250 /nfs/dbraw/zinc/43/92/50/448439250.db2.gz MEPRZIGZRXHBEM-LSDHHAIUSA-N 2 0 337.420 1.656 20 5 EDBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517231300 448557578 /nfs/dbraw/zinc/55/75/78/448557578.db2.gz ZDOSKJPGRVUZLD-AWEZNQCLSA-N 2 0 349.435 1.149 20 5 EDBDRP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000519141449 448746438 /nfs/dbraw/zinc/74/64/38/448746438.db2.gz HIRXFBHXIOAWRO-DZGCQCFKSA-N 2 0 339.436 1.900 20 5 EDBDRP Cn1cc(C[NH2+]CCOCCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600778452 449544766 /nfs/dbraw/zinc/54/47/66/449544766.db2.gz ZKUNFSXDRYYIQG-UHFFFAOYSA-N 2 0 333.392 1.450 20 5 EDBDRP Cc1ccc(NCCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000600724368 449518835 /nfs/dbraw/zinc/51/88/35/449518835.db2.gz NOORSVXLUZXTOW-OAHLLOKOSA-N 2 0 336.436 1.752 20 5 EDBDRP C[C@@H](C[NH+](C)C)Nc1ncnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000603376160 450270204 /nfs/dbraw/zinc/27/02/04/450270204.db2.gz KQSORYGZKJNZSB-QWRGUYRKSA-N 2 0 325.417 1.109 20 5 EDBDRP Cc1nn(C[N@H+](C)CC2CC[NH+](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749948789 579744718 /nfs/dbraw/zinc/74/47/18/579744718.db2.gz ATKXOAFRVKJESY-UHFFFAOYSA-N 2 0 332.408 1.879 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000565157904 306376351 /nfs/dbraw/zinc/37/63/51/306376351.db2.gz QTTRWKRCOBPXPY-RYUDHWBXSA-N 2 0 336.392 1.744 20 5 EDBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928197 151199682 /nfs/dbraw/zinc/19/96/82/151199682.db2.gz KNAJPCTXARVBJW-AWEZNQCLSA-N 2 0 325.413 1.224 20 5 EDBDRP C[NH2+]CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430934740 305068986 /nfs/dbraw/zinc/06/89/86/305068986.db2.gz NNLSHHVSJLOAJF-MRXNPFEDSA-N 2 0 332.404 1.632 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000119667035 441946384 /nfs/dbraw/zinc/94/63/84/441946384.db2.gz VXJYKTRTRVMNOF-UHFFFAOYSA-N 2 0 337.424 1.860 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000181441996 442697498 /nfs/dbraw/zinc/69/74/98/442697498.db2.gz JPSSONWIEBQCIJ-ZBFHGGJFSA-N 2 0 339.440 1.518 20 5 EDBDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411771894 319202459 /nfs/dbraw/zinc/20/24/59/319202459.db2.gz PKWOZMJGHILDLA-ZDUSSCGKSA-N 2 0 334.420 1.846 20 5 EDBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420370952 446547838 /nfs/dbraw/zinc/54/78/38/446547838.db2.gz WGZPKWQKCXQULE-HNNXBMFYSA-N 2 0 348.403 1.871 20 5 EDBDRP C[C@]12C[NH2+]C[C@@]1(C)CN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000600745760 449531014 /nfs/dbraw/zinc/53/10/14/449531014.db2.gz PTRQLMPATNQWRQ-NXHRZFHOSA-N 2 0 344.415 1.632 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000866259323 596840408 /nfs/dbraw/zinc/84/04/08/596840408.db2.gz AMMGLNWOUCPUDK-KGLIPLIRSA-N 2 0 338.427 1.890 20 5 EDBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872227214 596844807 /nfs/dbraw/zinc/84/48/07/596844807.db2.gz BIUOPJWKFUFRLG-HNFVBEJKSA-N 2 0 325.413 1.005 20 5 EDBDRP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414770810 304139006 /nfs/dbraw/zinc/13/90/06/304139006.db2.gz YMDZIDFXYBFCLJ-OAHLLOKOSA-N 2 0 334.420 1.266 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289807 252190205 /nfs/dbraw/zinc/19/02/05/252190205.db2.gz CIESGDOCHANRIZ-CHWSQXEVSA-N 2 0 336.392 1.792 20 5 EDBDRP O=C([C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000347022966 143272745 /nfs/dbraw/zinc/27/27/45/143272745.db2.gz OTIYOVOUZYRHDA-HNNXBMFYSA-N 2 0 332.404 1.239 20 5 EDBDRP [NH3+]CC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430627740 305060013 /nfs/dbraw/zinc/06/00/13/305060013.db2.gz UEDJFEJJJHFPKP-UHFFFAOYSA-N 2 0 334.376 1.564 20 5 EDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000447526476 305281480 /nfs/dbraw/zinc/28/14/80/305281480.db2.gz BTKIPBJLGHQBCZ-SOUVJXGZSA-N 2 0 337.424 1.321 20 5 EDBDRP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420302912 446466454 /nfs/dbraw/zinc/46/64/54/446466454.db2.gz MSRWEVIJDTUZAY-HNNXBMFYSA-N 2 0 346.431 1.742 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000582482567 448250554 /nfs/dbraw/zinc/25/05/54/448250554.db2.gz JFCPFMUUHZFFAW-YPMHNXCESA-N 2 0 332.360 1.205 20 5 EDBDRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000591739571 448478031 /nfs/dbraw/zinc/47/80/31/448478031.db2.gz IUOKWLNAYMOCPJ-DZGCQCFKSA-N 2 0 337.420 1.654 20 5 EDBDRP C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000567492541 448701898 /nfs/dbraw/zinc/70/18/98/448701898.db2.gz FCKJQJSIBUUICM-ZBFHGGJFSA-N 2 0 337.420 1.656 20 5 EDBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707567 596303283 /nfs/dbraw/zinc/30/32/83/596303283.db2.gz IYDSENQYUUYOSE-SRMUXQRQSA-N 2 0 346.387 1.523 20 5 EDBDRP Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414990480 304148591 /nfs/dbraw/zinc/14/85/91/304148591.db2.gz PDPJAXRUHZSAIT-QAPCUYQASA-N 2 0 346.431 1.640 20 5 EDBDRP Cc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414963981 447377013 /nfs/dbraw/zinc/37/70/13/447377013.db2.gz BOMOFFFUKNUCTC-AWEZNQCLSA-N 2 0 346.353 1.829 20 5 EDBDRP COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185879327 443274453 /nfs/dbraw/zinc/27/44/53/443274453.db2.gz WPFKBYGYGXBBHD-CQSZACIVSA-N 2 0 336.436 1.719 20 5 EDBDRP Cc1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000436067831 320018750 /nfs/dbraw/zinc/01/87/50/320018750.db2.gz UUEHQQPGTRJSTC-OAHLLOKOSA-N 2 0 334.420 1.723 20 5 EDBDRP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000420320770 446484673 /nfs/dbraw/zinc/48/46/73/446484673.db2.gz BVANZLCKEWRKSI-AWEZNQCLSA-N 2 0 335.404 1.661 20 5 EDBDRP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000420320773 446485290 /nfs/dbraw/zinc/48/52/90/446485290.db2.gz BVANZLCKEWRKSI-CQSZACIVSA-N 2 0 335.404 1.661 20 5 EDBDRP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1)[NH+](C)C ZINC000443440808 447052450 /nfs/dbraw/zinc/05/24/50/447052450.db2.gz JCMFACIXSKXLHU-VHSXEESVSA-N 2 0 330.458 1.775 20 5 EDBDRP C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CC[NH+](C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735875 591264433 /nfs/dbraw/zinc/26/44/33/591264433.db2.gz GBMZOWFFKYCKQZ-UMSGYPCISA-N 2 0 349.439 1.394 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000903492298 592184970 /nfs/dbraw/zinc/18/49/70/592184970.db2.gz MCBAWTSXIFUYSS-WDMOLILDSA-N 2 0 325.390 1.369 20 5 EDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951489 594127713 /nfs/dbraw/zinc/12/77/13/594127713.db2.gz BOOHAGCPXVEFEY-HNNXBMFYSA-N 2 0 342.484 1.696 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C[NH+](C)C ZINC000866011522 596757601 /nfs/dbraw/zinc/75/76/01/596757601.db2.gz GOMADEVTEXRLJL-CHWSQXEVSA-N 2 0 346.435 1.647 20 5 EDBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000359300684 446133673 /nfs/dbraw/zinc/13/36/73/446133673.db2.gz HLCSXVUBBQVWCC-ZIAGYGMSSA-N 2 0 328.372 1.944 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000577500708 448315339 /nfs/dbraw/zinc/31/53/39/448315339.db2.gz OBERXOOGXYKJOE-QGZVFWFLSA-N 2 0 349.431 1.799 20 5 EDBDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566733666 448547432 /nfs/dbraw/zinc/54/74/32/448547432.db2.gz XESCIPFNGGOELL-INIZCTEOSA-N 2 0 337.420 1.656 20 5 EDBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171123 448650255 /nfs/dbraw/zinc/65/02/55/448650255.db2.gz QZBNNOBAVMXLEH-GOEBONIOSA-N 2 0 339.440 1.110 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000519607848 448798838 /nfs/dbraw/zinc/79/88/38/448798838.db2.gz DZQXNMXUMJJNED-NWDGAFQWSA-N 2 0 336.392 1.744 20 5 EDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000776578706 580421931 /nfs/dbraw/zinc/42/19/31/580421931.db2.gz IKOYGBOHRNHLCT-GOSISDBHSA-N 2 0 349.431 1.672 20 5 EDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000843072027 595280497 /nfs/dbraw/zinc/28/04/97/595280497.db2.gz DWWCPQPMQIAHKF-IAGOWNOFSA-N 2 0 337.420 1.455 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH+](C)C ZINC000866012586 596757589 /nfs/dbraw/zinc/75/75/89/596757589.db2.gz JUVBDGQIIPIYTA-VXGBXAGGSA-N 2 0 341.843 1.819 20 5 EDBDRP NC(=O)c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000150792018 441951758 /nfs/dbraw/zinc/95/17/58/441951758.db2.gz JAFFVVHMVICZNY-CYBMUJFWSA-N 2 0 332.404 1.611 20 5 EDBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503252 319112634 /nfs/dbraw/zinc/11/26/34/319112634.db2.gz YHURKLNMCPYVBW-CYBMUJFWSA-N 2 0 332.404 1.997 20 5 EDBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517173 445628296 /nfs/dbraw/zinc/62/82/96/445628296.db2.gz PKYUKBRYXGCJMW-ZDUSSCGKSA-N 2 0 332.404 1.997 20 5 EDBDRP COc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359296489 446131269 /nfs/dbraw/zinc/13/12/69/446131269.db2.gz CYQRUXKPPYOSHF-TXEJJXNPSA-N 2 0 334.376 1.083 20 5 EDBDRP CC1(C[NH+]2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371373597 446815165 /nfs/dbraw/zinc/81/51/65/446815165.db2.gz NLJGPHSDQYXPLT-UHFFFAOYSA-N 2 0 337.424 1.226 20 5 EDBDRP C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(NCC3([NH+](C)C)CC3)n2)CC1 ZINC000419012096 446866692 /nfs/dbraw/zinc/86/66/92/446866692.db2.gz VAFZHDCFFKGQER-UHFFFAOYSA-N 2 0 348.451 2.002 20 5 EDBDRP C[C@@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032460 447794544 /nfs/dbraw/zinc/79/45/44/447794544.db2.gz FJVZGFOOONVFFH-LBPRGKRZSA-N 2 0 329.422 1.476 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000591726510 448473521 /nfs/dbraw/zinc/47/35/21/448473521.db2.gz CMABQPURHIHPHX-OFQRWUPVSA-N 2 0 335.404 1.551 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cn1 ZINC000592477466 448853818 /nfs/dbraw/zinc/85/38/18/448853818.db2.gz XICSNZHQCVWLCE-UHFFFAOYSA-N 2 0 333.436 1.892 20 5 EDBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000600678166 449487342 /nfs/dbraw/zinc/48/73/42/449487342.db2.gz MSYXSTDZIPHQHU-LBPRGKRZSA-N 2 0 336.392 1.409 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000595014527 449841968 /nfs/dbraw/zinc/84/19/68/449841968.db2.gz WLWLPZHKEKTLLB-UONOGXRCSA-N 2 0 336.436 1.890 20 5 EDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951491 594127673 /nfs/dbraw/zinc/12/76/73/594127673.db2.gz BOOHAGCPXVEFEY-OAHLLOKOSA-N 2 0 342.484 1.696 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415031153 304152618 /nfs/dbraw/zinc/15/26/18/304152618.db2.gz GOBFUZSSLDPIEJ-AAEUAGOBSA-N 2 0 337.376 1.364 20 5 EDBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)s2)cc1 ZINC000263130922 139323934 /nfs/dbraw/zinc/32/39/34/139323934.db2.gz BPXWZNQQZYVBJQ-WFASDCNBSA-N 2 0 333.413 1.993 20 5 EDBDRP Cc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414963982 447376841 /nfs/dbraw/zinc/37/68/41/447376841.db2.gz BOMOFFFUKNUCTC-CQSZACIVSA-N 2 0 346.353 1.829 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867781 442931465 /nfs/dbraw/zinc/93/14/65/442931465.db2.gz BERKYWPQCBIBEM-GJZGRUSLSA-N 2 0 339.440 1.518 20 5 EDBDRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420343753 446514594 /nfs/dbraw/zinc/51/45/94/446514594.db2.gz RELMXOKWTGRNCW-GJZGRUSLSA-N 2 0 346.431 1.879 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843352809 595084784 /nfs/dbraw/zinc/08/47/84/595084784.db2.gz MAEBRSMEBTXFQE-UHFFFAOYSA-N 2 0 336.392 1.744 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870025309 596714478 /nfs/dbraw/zinc/71/44/78/596714478.db2.gz QONORRFEULMUDL-HUUCEWRRSA-N 2 0 334.420 1.406 20 5 EDBDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877623558 597542333 /nfs/dbraw/zinc/54/23/33/597542333.db2.gz SUIQXJKDLLCUHA-NFOMZHRRSA-N 2 0 338.456 1.356 20 5 EDBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784412 304140651 /nfs/dbraw/zinc/14/06/51/304140651.db2.gz SEVZJVIRGYHUQA-CQSZACIVSA-N 2 0 349.435 1.197 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374228 139106081 /nfs/dbraw/zinc/10/60/81/139106081.db2.gz JPSSONWIEBQCIJ-GOEBONIOSA-N 2 0 339.440 1.518 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479526 446081286 /nfs/dbraw/zinc/08/12/86/446081286.db2.gz RKPBSTSPKBMXEL-UBHSHLNASA-N 2 0 348.403 1.601 20 5 EDBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572869853 448486437 /nfs/dbraw/zinc/48/64/37/448486437.db2.gz UBHKNMAIRBSNTH-HOCLYGCPSA-N 2 0 339.440 1.396 20 5 EDBDRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000596655291 449589721 /nfs/dbraw/zinc/58/97/21/449589721.db2.gz UJOLMHAAURWFNI-AWEZNQCLSA-N 2 0 343.387 1.660 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000595005049 449839785 /nfs/dbraw/zinc/83/97/85/449839785.db2.gz WFQKNWDXMJDOFC-AWEZNQCLSA-N 2 0 336.436 1.892 20 5 EDBDRP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903757388 592314921 /nfs/dbraw/zinc/31/49/21/592314921.db2.gz ZHSHTXUTFVTWRI-ZBFHGGJFSA-N 2 0 335.408 1.197 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000819172361 593742702 /nfs/dbraw/zinc/74/27/02/593742702.db2.gz DKAFZWRPQDOOJG-RCCFBDPRSA-N 2 0 349.431 1.596 20 5 EDBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000866259321 596840515 /nfs/dbraw/zinc/84/05/15/596840515.db2.gz AMMGLNWOUCPUDK-KBPBESRZSA-N 2 0 338.427 1.890 20 5 EDBDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284148944 274096824 /nfs/dbraw/zinc/09/68/24/274096824.db2.gz PDTLXAJIFMXLBF-CQSZACIVSA-N 2 0 335.452 1.855 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430939015 305069431 /nfs/dbraw/zinc/06/94/31/305069431.db2.gz JYDUVCIVPLWQNL-AAEUAGOBSA-N 2 0 336.392 1.601 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000189998315 443045386 /nfs/dbraw/zinc/04/53/86/443045386.db2.gz BERKYWPQCBIBEM-HUUCEWRRSA-N 2 0 339.440 1.518 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342099474 445171517 /nfs/dbraw/zinc/17/15/17/445171517.db2.gz JSPXBBGAMDGYJW-YUTCNCBUSA-N 2 0 348.403 1.601 20 5 EDBDRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423464971 446548312 /nfs/dbraw/zinc/54/83/12/446548312.db2.gz WFCPGTWZYWSLIM-XZOAIXRZSA-N 2 0 346.431 1.892 20 5 EDBDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877743 449885805 /nfs/dbraw/zinc/88/58/05/449885805.db2.gz MDVAMONQAXAESQ-HNNXBMFYSA-N 2 0 349.431 1.752 20 5 EDBDRP CN(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000602878858 449886995 /nfs/dbraw/zinc/88/69/95/449886995.db2.gz ZMYIJOLVRZRKIG-UHFFFAOYSA-N 2 0 346.431 1.975 20 5 EDBDRP C[NH+](C)CCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000774379686 580360880 /nfs/dbraw/zinc/36/08/80/580360880.db2.gz DSCVNMVFTHOXBN-UHFFFAOYSA-N 2 0 336.436 1.731 20 5 EDBDRP C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CC[NH+](C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735873 591264748 /nfs/dbraw/zinc/26/47/48/591264748.db2.gz GBMZOWFFKYCKQZ-QNWHQSFQSA-N 2 0 349.439 1.394 20 5 EDBDRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000903917751 592390908 /nfs/dbraw/zinc/39/09/08/592390908.db2.gz MZBRVISXWDBPSV-INIZCTEOSA-N 2 0 345.447 1.929 20 5 EDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246576811 139113458 /nfs/dbraw/zinc/11/34/58/139113458.db2.gz LRBPKWQQDWQFRV-IAOVAPTHSA-N 2 0 349.435 1.101 20 5 EDBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000573594111 306626018 /nfs/dbraw/zinc/62/60/18/306626018.db2.gz UHMFNHKPXDWJMP-YESZJQIVSA-N 2 0 335.404 1.720 20 5 EDBDRP Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000262110576 280574650 /nfs/dbraw/zinc/57/46/50/280574650.db2.gz AVBINAUPPYUCQM-HNNXBMFYSA-N 2 0 341.415 1.935 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000430607409 305058463 /nfs/dbraw/zinc/05/84/63/305058463.db2.gz CDVAUXPPGLOTAO-UHFFFAOYSA-N 2 0 336.392 1.603 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430942996 305069879 /nfs/dbraw/zinc/06/98/79/305069879.db2.gz NTSKOUNOGFIBEF-DGCLKSJQSA-N 2 0 336.392 1.601 20 5 EDBDRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431037132 305073373 /nfs/dbraw/zinc/07/33/73/305073373.db2.gz LPANKMHFNDZSBD-UHFFFAOYSA-N 2 0 344.415 1.559 20 5 EDBDRP O=C1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414993729 319344552 /nfs/dbraw/zinc/34/45/52/319344552.db2.gz UAOFTVGZZTXJOM-WBVHZDCISA-N 2 0 332.404 1.331 20 5 EDBDRP C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420285134 446450771 /nfs/dbraw/zinc/45/07/71/446450771.db2.gz DVCMUBHBIDCIIV-LBPRGKRZSA-N 2 0 336.392 1.616 20 5 EDBDRP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000420344134 446517317 /nfs/dbraw/zinc/51/73/17/446517317.db2.gz SCGRCCCGFZLWPD-OKILXGFUSA-N 2 0 332.404 1.489 20 5 EDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392005 448251611 /nfs/dbraw/zinc/25/16/11/448251611.db2.gz VPTWJPFPFTYOKK-OAHLLOKOSA-N 2 0 349.435 1.478 20 5 EDBDRP CC[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000592488748 448859257 /nfs/dbraw/zinc/85/92/57/448859257.db2.gz MYUGFQBFUGSVOH-TZMCWYRMSA-N 2 0 348.403 1.952 20 5 EDBDRP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600771742 449542173 /nfs/dbraw/zinc/54/21/73/449542173.db2.gz AUQPOWJRUVPCNL-UHFFFAOYSA-N 2 0 347.419 1.663 20 5 EDBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602785913 449808477 /nfs/dbraw/zinc/80/84/77/449808477.db2.gz XBBFWBOTWWMKPY-OAHLLOKOSA-N 2 0 339.440 1.532 20 5 EDBDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778954409 580476634 /nfs/dbraw/zinc/47/66/34/580476634.db2.gz WEPLWIRHZLLMQM-KRWDZBQOSA-N 2 0 336.436 1.198 20 5 EDBDRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000903843475 592343110 /nfs/dbraw/zinc/34/31/10/592343110.db2.gz LNWZBTJUQQVQCY-SHUKQUCYSA-N 2 0 330.388 1.512 20 5 EDBDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579113 593643117 /nfs/dbraw/zinc/64/31/17/593643117.db2.gz FJGHEFALDTVWRQ-ZFWWWQNUSA-N 2 0 347.463 1.996 20 5 EDBDRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000819058255 593736437 /nfs/dbraw/zinc/73/64/37/593736437.db2.gz HBEJDGPXTKFZLP-WMLDXEAASA-N 2 0 336.436 1.101 20 5 EDBDRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877158735 597447270 /nfs/dbraw/zinc/44/72/70/597447270.db2.gz MDYCAVKWPXFMIO-SSDMNJCBSA-N 2 0 325.413 1.441 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263215080 139328623 /nfs/dbraw/zinc/32/86/23/139328623.db2.gz KURXPRSKOPQVKN-IAQYHMDHSA-N 2 0 333.413 1.993 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414934944 447364551 /nfs/dbraw/zinc/36/45/51/447364551.db2.gz YJHAFFSSKUEPOQ-QWHCGFSZSA-N 2 0 337.376 1.506 20 5 EDBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342105186 445174193 /nfs/dbraw/zinc/17/41/93/445174193.db2.gz NZJRQXRCAJCDOZ-MGPQQGTHSA-N 2 0 332.404 1.983 20 5 EDBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12 ZINC000351474175 446076112 /nfs/dbraw/zinc/07/61/12/446076112.db2.gz FUMQIQWUAJRBIR-IACUBPJLSA-N 2 0 346.387 1.562 20 5 EDBDRP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593502956 449312227 /nfs/dbraw/zinc/31/22/27/449312227.db2.gz GDDIAVNDMBEPQA-CQSZACIVSA-N 2 0 328.372 1.707 20 5 EDBDRP Cc1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000905702378 592615690 /nfs/dbraw/zinc/61/56/90/592615690.db2.gz FROPOJRSMPHXMQ-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579112 593643073 /nfs/dbraw/zinc/64/30/73/593643073.db2.gz FJGHEFALDTVWRQ-UKRRQHHQSA-N 2 0 347.463 1.996 20 5 EDBDRP C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000819058323 593736330 /nfs/dbraw/zinc/73/63/30/593736330.db2.gz IEVQKGFBFHFJNY-RHSMWYFYSA-N 2 0 336.436 1.101 20 5 EDBDRP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000842478177 595115833 /nfs/dbraw/zinc/11/58/33/595115833.db2.gz GTFWUAVOECQJFX-NEPJUHHUSA-N 2 0 338.383 1.979 20 5 EDBDRP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846219215 595176539 /nfs/dbraw/zinc/17/65/39/595176539.db2.gz KYSOLAREJDKYNS-UHFFFAOYSA-N 2 0 334.420 1.872 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414862903 447333069 /nfs/dbraw/zinc/33/30/69/447333069.db2.gz AEAVQMXYSMBOTR-WBVHZDCISA-N 2 0 332.448 1.801 20 5 EDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299636962 303640922 /nfs/dbraw/zinc/64/09/22/303640922.db2.gz VBBOKWYNZLWNCX-UHFFFAOYSA-N 2 0 334.420 1.485 20 5 EDBDRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000536069267 306019467 /nfs/dbraw/zinc/01/94/67/306019467.db2.gz YIIBCZBWZSFOLM-HIFRSBDPSA-N 2 0 346.387 1.558 20 5 EDBDRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000576749482 321592779 /nfs/dbraw/zinc/59/27/79/321592779.db2.gz QINHHZFKRGZOHD-OAHLLOKOSA-N 2 0 337.420 1.656 20 5 EDBDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000341573713 444902361 /nfs/dbraw/zinc/90/23/61/444902361.db2.gz MSBSPOSHNIOZSV-ZDUSSCGKSA-N 2 0 346.431 1.988 20 5 EDBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000351857515 445344825 /nfs/dbraw/zinc/34/48/25/445344825.db2.gz BZNXDKDXWYSRCV-NEPJUHHUSA-N 2 0 334.376 1.562 20 5 EDBDRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000351479569 446080784 /nfs/dbraw/zinc/08/07/84/446080784.db2.gz RXXDDXCFEDGBDO-RAEVTNRLSA-N 2 0 330.388 1.369 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000433144228 446537281 /nfs/dbraw/zinc/53/72/81/446537281.db2.gz BMNYBYXETMUHFG-UHFFFAOYSA-N 2 0 332.404 1.687 20 5 EDBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516563595 448439712 /nfs/dbraw/zinc/43/97/12/448439712.db2.gz MEPRZIGZRXHBEM-GJZGRUSLSA-N 2 0 337.420 1.656 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000591764743 448485719 /nfs/dbraw/zinc/48/57/19/448485719.db2.gz IRPCUOWQFBYWFS-KRWDZBQOSA-N 2 0 349.431 1.799 20 5 EDBDRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000517922593 448630288 /nfs/dbraw/zinc/63/02/88/448630288.db2.gz LJMVFPNQVKWMSY-HNNXBMFYSA-N 2 0 337.420 1.797 20 5 EDBDRP [NH3+]CC12CC(C1)CN2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595908398 449246605 /nfs/dbraw/zinc/24/66/05/449246605.db2.gz HYDZSDBDGYNNOG-UHFFFAOYSA-N 2 0 332.360 1.316 20 5 EDBDRP Cn1cc(C[NH2+]CCN2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599010701 449697943 /nfs/dbraw/zinc/69/79/43/449697943.db2.gz VTAFDBIVLNUWEQ-MRXNPFEDSA-N 2 0 345.403 1.152 20 5 EDBDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849099999 595481766 /nfs/dbraw/zinc/48/17/66/595481766.db2.gz OIPVHGAYDGDDKO-CQSZACIVSA-N 2 0 335.408 1.572 20 5 EDBDRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000870025084 596714462 /nfs/dbraw/zinc/71/44/62/596714462.db2.gz MUFVSWQHOTVJFP-HZPDHXFCSA-N 2 0 348.447 1.715 20 5 EDBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293790043 303019621 /nfs/dbraw/zinc/01/96/21/303019621.db2.gz QOFAANGIYRMQRZ-CQSZACIVSA-N 2 0 335.452 1.855 20 5 EDBDRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430923951 305068430 /nfs/dbraw/zinc/06/84/30/305068430.db2.gz HBPIUDAJVXDYGJ-GFCCVEGCSA-N 2 0 336.392 1.473 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430963373 305071259 /nfs/dbraw/zinc/07/12/59/305071259.db2.gz UQXTUHUPBKRNOD-DGCLKSJQSA-N 2 0 336.392 1.601 20 5 EDBDRP COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272547206 443359010 /nfs/dbraw/zinc/35/90/10/443359010.db2.gz SHVGLQSTBKEASC-UHFFFAOYSA-N 2 0 336.436 1.673 20 5 EDBDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566118806 321217756 /nfs/dbraw/zinc/21/77/56/321217756.db2.gz HGMVSLZHAHJODX-ZBCRRDGASA-N 2 0 337.420 1.797 20 5 EDBDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385526 446561205 /nfs/dbraw/zinc/56/12/05/446561205.db2.gz SYYNVPOIFVZTBE-HNNXBMFYSA-N 2 0 346.391 1.361 20 5 EDBDRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000593314221 449223095 /nfs/dbraw/zinc/22/30/95/449223095.db2.gz AQPVACVNIXEOFJ-GUYCJALGSA-N 2 0 333.388 1.927 20 5 EDBDRP [NH3+]C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843346201 595081372 /nfs/dbraw/zinc/08/13/72/595081372.db2.gz FDLORNLJYHGQIA-SNVBAGLBSA-N 2 0 326.784 1.857 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414804718 304143173 /nfs/dbraw/zinc/14/31/73/304143173.db2.gz OYBHISNTHDFFLA-STQMWFEESA-N 2 0 337.376 1.364 20 5 EDBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562993 441667824 /nfs/dbraw/zinc/66/78/24/441667824.db2.gz GUCZJJQUTLLFTE-GOSISDBHSA-N 2 0 332.448 1.849 20 5 EDBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000182959243 442854466 /nfs/dbraw/zinc/85/44/66/442854466.db2.gz XLHZMPHIBKEROM-UHFFFAOYSA-N 2 0 347.419 1.805 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867789 442931327 /nfs/dbraw/zinc/93/13/27/442931327.db2.gz BERKYWPQCBIBEM-LSDHHAIUSA-N 2 0 339.440 1.518 20 5 EDBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000305165530 444262437 /nfs/dbraw/zinc/26/24/37/444262437.db2.gz HJHHHZDSDTZUMC-SFHVURJKSA-N 2 0 349.431 1.672 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570443781 448015006 /nfs/dbraw/zinc/01/50/06/448015006.db2.gz ARZMDKPDMMDWDO-DZGCQCFKSA-N 2 0 335.404 1.408 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000577500705 448314693 /nfs/dbraw/zinc/31/46/93/448314693.db2.gz OBERXOOGXYKJOE-KRWDZBQOSA-N 2 0 349.431 1.799 20 5 EDBDRP CC[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1[NH3+] ZINC000592488747 448859761 /nfs/dbraw/zinc/85/97/61/448859761.db2.gz MYUGFQBFUGSVOH-OCCSQVGLSA-N 2 0 348.403 1.952 20 5 EDBDRP CN1CC[NH+](CCCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602510088 449638576 /nfs/dbraw/zinc/63/85/76/449638576.db2.gz JKIKRVKRPXXXEY-UHFFFAOYSA-N 2 0 347.419 1.853 20 5 EDBDRP COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903092528 592121875 /nfs/dbraw/zinc/12/18/75/592121875.db2.gz LCYQAKBUWSOQSV-UONOGXRCSA-N 2 0 336.436 1.890 20 5 EDBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000864091536 596752753 /nfs/dbraw/zinc/75/27/53/596752753.db2.gz ZYXOYHDNPBCUCH-HZSPNIEDSA-N 2 0 332.404 1.805 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H]1C[NH+](C)C ZINC000866012760 596757953 /nfs/dbraw/zinc/75/79/53/596757953.db2.gz PVOKVUYLEJSTGI-VXGBXAGGSA-N 2 0 339.415 1.492 20 5 EDBDRP CC[NH+]1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882959081 598116879 /nfs/dbraw/zinc/11/68/79/598116879.db2.gz UIVTXCYDYZJLKK-STQMWFEESA-N 2 0 349.439 1.397 20 5 EDBDRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262256483 139264116 /nfs/dbraw/zinc/26/41/16/139264116.db2.gz QSTUNCWDPNVVNG-WBVHZDCISA-N 2 0 346.431 1.675 20 5 EDBDRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423451230 319777434 /nfs/dbraw/zinc/77/74/34/319777434.db2.gz IGBDIXFVWOFRJG-NJAPINKUSA-N 2 0 346.431 1.892 20 5 EDBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566106495 321215350 /nfs/dbraw/zinc/21/53/50/321215350.db2.gz RVGAZLQHTSZUIL-GOEBONIOSA-N 2 0 339.440 1.254 20 5 EDBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430559482 447778817 /nfs/dbraw/zinc/77/88/17/447778817.db2.gz XHGRQLAHDDMHKN-STQMWFEESA-N 2 0 348.403 1.952 20 5 EDBDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393831 448367580 /nfs/dbraw/zinc/36/75/80/448367580.db2.gz ZSBHEBCYGODABE-HUUCEWRRSA-N 2 0 337.420 1.656 20 5 EDBDRP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000573137997 448553252 /nfs/dbraw/zinc/55/32/52/448553252.db2.gz CFXGBFWXHZWMHT-OCCSQVGLSA-N 2 0 341.371 1.200 20 5 EDBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000592495825 448863518 /nfs/dbraw/zinc/86/35/18/448863518.db2.gz QWUBMYKGFUONFW-ZDUSSCGKSA-N 2 0 344.419 1.593 20 5 EDBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347684 595081997 /nfs/dbraw/zinc/08/19/97/595081997.db2.gz XDFYJADIPYSLJS-LBPRGKRZSA-N 2 0 338.383 1.994 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CC[NH+](C)CC1 ZINC000866219608 596832124 /nfs/dbraw/zinc/83/21/24/596832124.db2.gz SZCHZXPXDDJGGM-CQSZACIVSA-N 2 0 338.427 1.892 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181903886 234373977 /nfs/dbraw/zinc/37/39/77/234373977.db2.gz STUDXHNJTZOHLM-CVEARBPZSA-N 2 0 349.431 1.752 20 5 EDBDRP Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000286419252 288001766 /nfs/dbraw/zinc/00/17/66/288001766.db2.gz MVBXRQSFGYUYHM-QWRGUYRKSA-N 2 0 339.444 1.417 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000268878615 443135666 /nfs/dbraw/zinc/13/56/66/443135666.db2.gz XCOWHZRNEZPSEU-IAGOWNOFSA-N 2 0 333.432 1.962 20 5 EDBDRP CN(CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289562962 444172864 /nfs/dbraw/zinc/17/28/64/444172864.db2.gz XXJPUOKCXDMGKQ-UHFFFAOYSA-N 2 0 338.452 1.789 20 5 EDBDRP Cc1ccc(CN2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362672377 445491570 /nfs/dbraw/zinc/49/15/70/445491570.db2.gz MSXDQCPLGFOSOS-HNNXBMFYSA-N 2 0 332.404 1.299 20 5 EDBDRP COc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420329442 446498978 /nfs/dbraw/zinc/49/89/78/446498978.db2.gz GUUPTGLOCKPJOH-BETUJISGSA-N 2 0 348.403 1.473 20 5 EDBDRP CC1(C)CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000576540546 448079668 /nfs/dbraw/zinc/07/96/68/448079668.db2.gz NLJHOJXQPCCONL-CYBMUJFWSA-N 2 0 325.413 1.051 20 5 EDBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576749637 448131967 /nfs/dbraw/zinc/13/19/67/448131967.db2.gz UWXINIFFIFTWAY-LSDHHAIUSA-N 2 0 337.420 1.656 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000582482564 448250643 /nfs/dbraw/zinc/25/06/43/448250643.db2.gz JFCPFMUUHZFFAW-AAEUAGOBSA-N 2 0 332.360 1.205 20 5 EDBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757518 448705705 /nfs/dbraw/zinc/70/57/05/448705705.db2.gz DLRJNMIEXDBEIF-RRFJBIMHSA-N 2 0 337.420 1.797 20 5 EDBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000843073746 595281098 /nfs/dbraw/zinc/28/10/98/595281098.db2.gz UNPFBBOCLCMYEO-SJORKVTESA-N 2 0 337.420 1.455 20 5 EDBDRP COc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000352780266 149162068 /nfs/dbraw/zinc/16/20/68/149162068.db2.gz SPXYULGDCXFHIK-UHFFFAOYSA-N 2 0 336.436 1.673 20 5 EDBDRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000367847001 154296370 /nfs/dbraw/zinc/29/63/70/154296370.db2.gz OBJBJDZOUWOQFO-KRWDZBQOSA-N 2 0 332.404 1.951 20 5 EDBDRP Cc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000277117081 273180499 /nfs/dbraw/zinc/18/04/99/273180499.db2.gz NOQVYLAISNJUBU-GHMZBOCLSA-N 2 0 339.444 1.417 20 5 EDBDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292050616 289249096 /nfs/dbraw/zinc/24/90/96/289249096.db2.gz BORAUPMWOPXABH-QGZVFWFLSA-N 2 0 332.404 1.951 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000430603000 305058237 /nfs/dbraw/zinc/05/82/37/305058237.db2.gz IOCPNSJMMILJRC-UHFFFAOYSA-N 2 0 336.392 1.603 20 5 EDBDRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854696 321151708 /nfs/dbraw/zinc/15/17/08/321151708.db2.gz SCMILEVGVIUIEX-UONOGXRCSA-N 2 0 339.436 1.900 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859296 445345209 /nfs/dbraw/zinc/34/52/09/445345209.db2.gz CPZGFNTZCDHNJZ-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420381047 446557289 /nfs/dbraw/zinc/55/72/89/446557289.db2.gz RQQOKDIINLZBMY-QGZVFWFLSA-N 2 0 332.404 1.999 20 5 EDBDRP Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856714 448482849 /nfs/dbraw/zinc/48/28/49/448482849.db2.gz BBKOYLAVQVUAGQ-TZMCWYRMSA-N 2 0 335.408 1.249 20 5 EDBDRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000574034344 448774422 /nfs/dbraw/zinc/77/44/22/448774422.db2.gz XBSPYYLBAYYIRM-DZGCQCFKSA-N 2 0 335.404 1.575 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000595014525 449841989 /nfs/dbraw/zinc/84/19/89/449841989.db2.gz WLWLPZHKEKTLLB-KGLIPLIRSA-N 2 0 336.436 1.890 20 5 EDBDRP Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021347 596711960 /nfs/dbraw/zinc/71/19/60/596711960.db2.gz OKNLXPQHJLDQGE-HUUCEWRRSA-N 2 0 348.447 1.715 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870024273 596714051 /nfs/dbraw/zinc/71/40/51/596714051.db2.gz NLXDZVKLJFKFBX-ZIAGYGMSSA-N 2 0 334.420 1.406 20 5 EDBDRP C[NH+](C)CCNc1ccc([N+](=O)[O-])c(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000271371770 140286714 /nfs/dbraw/zinc/28/67/14/140286714.db2.gz LKYQKEQBQMJQQA-UHFFFAOYSA-N 2 0 340.384 1.450 20 5 EDBDRP Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000347999195 143389507 /nfs/dbraw/zinc/38/95/07/143389507.db2.gz CDGYZLNUPAQEBV-UHFFFAOYSA-N 2 0 339.440 1.279 20 5 EDBDRP Cc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000277117087 273180402 /nfs/dbraw/zinc/18/04/02/273180402.db2.gz NOQVYLAISNJUBU-QWRGUYRKSA-N 2 0 339.444 1.417 20 5 EDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480875 446080978 /nfs/dbraw/zinc/08/09/78/446080978.db2.gz WAHVZKHOZQPYGO-UBHSHLNASA-N 2 0 348.403 1.601 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442773582 446963489 /nfs/dbraw/zinc/96/34/89/446963489.db2.gz XWQATWVQHDVGCT-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000571074636 448105756 /nfs/dbraw/zinc/10/57/56/448105756.db2.gz XYPNZAIYPMFMJL-MRXNPFEDSA-N 2 0 337.420 1.797 20 5 EDBDRP CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1(C)C ZINC000566459137 448480557 /nfs/dbraw/zinc/48/05/57/448480557.db2.gz FETNVUHJTJVDDK-UHFFFAOYSA-N 2 0 343.387 1.947 20 5 EDBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171125 448649953 /nfs/dbraw/zinc/64/99/53/448649953.db2.gz QZBNNOBAVMXLEH-ZBFHGGJFSA-N 2 0 339.440 1.110 20 5 EDBDRP C[NH+](C)CCN1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602509324 449638641 /nfs/dbraw/zinc/63/86/41/449638641.db2.gz RMQSIDASPXRPJS-UHFFFAOYSA-N 2 0 347.419 1.852 20 5 EDBDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579111 593643121 /nfs/dbraw/zinc/64/31/21/593643121.db2.gz FJGHEFALDTVWRQ-HIFRSBDPSA-N 2 0 347.463 1.996 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424337493 252198426 /nfs/dbraw/zinc/19/84/26/252198426.db2.gz SBJCTDGPCKYBJT-CHWSQXEVSA-N 2 0 336.392 1.792 20 5 EDBDRP COCC[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000263706162 139354322 /nfs/dbraw/zinc/35/43/22/139354322.db2.gz CNYOQLTUHIHAKH-UHFFFAOYSA-N 2 0 347.375 1.089 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430559081 447778295 /nfs/dbraw/zinc/77/82/95/447778295.db2.gz RRDOKCIBXKZPQV-UHFFFAOYSA-N 2 0 338.408 1.849 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430564325 447779386 /nfs/dbraw/zinc/77/93/86/447779386.db2.gz LPTVRSASTDRSTR-UHFFFAOYSA-N 2 0 338.408 1.849 20 5 EDBDRP O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000572510500 448397819 /nfs/dbraw/zinc/39/78/19/448397819.db2.gz SLYCYJGBARLXIW-ZBFHGGJFSA-N 2 0 346.431 1.327 20 5 EDBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707561 596302338 /nfs/dbraw/zinc/30/23/38/596302338.db2.gz IYDSENQYUUYOSE-KSYCFECVSA-N 2 0 346.387 1.523 20 5 EDBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000563152298 306320444 /nfs/dbraw/zinc/32/04/44/306320444.db2.gz AJDZLNCASAQVCG-UHFFFAOYSA-N 2 0 334.420 1.343 20 5 EDBDRP C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000563953261 306353190 /nfs/dbraw/zinc/35/31/90/306353190.db2.gz FOEOGYUCOWVFKP-CJNGLKHVSA-N 2 0 335.404 1.575 20 5 EDBDRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000262278409 139265974 /nfs/dbraw/zinc/26/59/74/139265974.db2.gz UGVHXPOVMYBQOW-ZBFHGGJFSA-N 2 0 346.431 1.675 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859294 445345381 /nfs/dbraw/zinc/34/53/81/445345381.db2.gz CPZGFNTZCDHNJZ-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420339018 446510183 /nfs/dbraw/zinc/51/01/83/446510183.db2.gz LLVJOQGMQDQNGY-KBPBESRZSA-N 2 0 332.404 1.855 20 5 EDBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423042441 447796452 /nfs/dbraw/zinc/79/64/52/447796452.db2.gz ZEPNGVYAMJRKPA-IUODEOHRSA-N 2 0 341.433 1.476 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000576745861 448130702 /nfs/dbraw/zinc/13/07/02/448130702.db2.gz BITGXIGXRQBALE-INIZCTEOSA-N 2 0 349.431 1.941 20 5 EDBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602513286 449642352 /nfs/dbraw/zinc/64/23/52/449642352.db2.gz BOSJAWBVXJNWSB-CYBMUJFWSA-N 2 0 347.419 1.852 20 5 EDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000748438141 579686511 /nfs/dbraw/zinc/68/65/11/579686511.db2.gz NVKDVESTWJQYRQ-UHFFFAOYSA-N 2 0 348.451 1.952 20 5 EDBDRP Cn1ncc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892160645 590832245 /nfs/dbraw/zinc/83/22/45/590832245.db2.gz BDNVGTIIJSGCMJ-UHFFFAOYSA-N 2 0 345.407 1.348 20 5 EDBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903741395 592303402 /nfs/dbraw/zinc/30/34/02/592303402.db2.gz PIIVMDOFDICDQB-UNEWFSDZSA-N 2 0 347.419 1.245 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000903978619 592399785 /nfs/dbraw/zinc/39/97/85/592399785.db2.gz HXBQLGKPICSEKM-VEOVGUQNSA-N 2 0 345.399 1.820 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826101187 594331446 /nfs/dbraw/zinc/33/14/46/594331446.db2.gz PJUQVTGLNUDXLN-UHFFFAOYSA-N 2 0 342.827 1.814 20 5 EDBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872227212 596844461 /nfs/dbraw/zinc/84/44/61/596844461.db2.gz BIUOPJWKFUFRLG-BLZCZZARSA-N 2 0 325.413 1.005 20 5 EDBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347127173 143285571 /nfs/dbraw/zinc/28/55/71/143285571.db2.gz YRGDAVYWEKOQJC-OMVNSRBRSA-N 2 0 332.404 1.395 20 5 EDBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107369858 441412559 /nfs/dbraw/zinc/41/25/59/441412559.db2.gz SRHMNINFDJFSPM-MRXNPFEDSA-N 2 0 348.447 1.685 20 5 EDBDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000114562995 441667928 /nfs/dbraw/zinc/66/79/28/441667928.db2.gz GUCZJJQUTLLFTE-SFHVURJKSA-N 2 0 332.448 1.849 20 5 EDBDRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000414679220 319340941 /nfs/dbraw/zinc/34/09/41/319340941.db2.gz RKBSCKLULOKAGR-OAHLLOKOSA-N 2 0 346.431 1.757 20 5 EDBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342142694 444531812 /nfs/dbraw/zinc/53/18/12/444531812.db2.gz VZBLBSCPZYLDQV-APHBMKBZSA-N 2 0 332.404 1.983 20 5 EDBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000351857517 445344993 /nfs/dbraw/zinc/34/49/93/445344993.db2.gz BZNXDKDXWYSRCV-RYUDHWBXSA-N 2 0 334.376 1.562 20 5 EDBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12 ZINC000351474176 446076259 /nfs/dbraw/zinc/07/62/59/446076259.db2.gz FUMQIQWUAJRBIR-KWCYVHTRSA-N 2 0 346.387 1.562 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486459 446086548 /nfs/dbraw/zinc/08/65/48/446086548.db2.gz AWKPJQCZAQVSFS-NWANDNLSSA-N 2 0 332.404 1.901 20 5 EDBDRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602546034 449665104 /nfs/dbraw/zinc/66/51/04/449665104.db2.gz BFKGIYNLEZSHOV-AWEZNQCLSA-N 2 0 333.436 1.890 20 5 EDBDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000602878533 449886987 /nfs/dbraw/zinc/88/69/87/449886987.db2.gz YFDTUPLSTFZAKA-MRXNPFEDSA-N 2 0 349.431 1.752 20 5 EDBDRP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903755087 592312373 /nfs/dbraw/zinc/31/23/73/592312373.db2.gz ACDBLQLMFHESRB-HNNXBMFYSA-N 2 0 349.435 1.587 20 5 EDBDRP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958850 598116671 /nfs/dbraw/zinc/11/66/71/598116671.db2.gz MLGGDGYQXLJQBM-CHWSQXEVSA-N 2 0 349.439 1.397 20 5 EDBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129307888 223042713 /nfs/dbraw/zinc/04/27/13/223042713.db2.gz PQFGVVODLOPKMH-OAHLLOKOSA-N 2 0 335.404 1.628 20 5 EDBDRP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000414719189 304132672 /nfs/dbraw/zinc/13/26/72/304132672.db2.gz XPEDGIFKMOSFEB-ZDUSSCGKSA-N 2 0 334.420 1.617 20 5 EDBDRP C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1[NH3+] ZINC000430957611 305070651 /nfs/dbraw/zinc/07/06/51/305070651.db2.gz TUYZXOZIWQLZJX-AAEUAGOBSA-N 2 0 334.376 1.562 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474414 446075183 /nfs/dbraw/zinc/07/51/83/446075183.db2.gz GAJYKDMYMMIHIA-NWANDNLSSA-N 2 0 332.404 1.901 20 5 EDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCN2CC[NH2+]CC2)n1 ZINC000423185803 446447644 /nfs/dbraw/zinc/44/76/44/446447644.db2.gz NKVSWKJJMDYLHD-HUUCEWRRSA-N 2 0 336.440 1.160 20 5 EDBDRP CC(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000602508265 449639047 /nfs/dbraw/zinc/63/90/47/449639047.db2.gz AJIBRHLLVHLYOB-GOSISDBHSA-N 2 0 334.464 1.999 20 5 EDBDRP Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCC[NH+](C)C)c1C ZINC000898669613 591467588 /nfs/dbraw/zinc/46/75/88/591467588.db2.gz RIVHHFRRXWDPOC-UHFFFAOYSA-N 2 0 336.436 1.825 20 5 EDBDRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000903917752 592390489 /nfs/dbraw/zinc/39/04/89/592390489.db2.gz MZBRVISXWDBPSV-MRXNPFEDSA-N 2 0 345.447 1.929 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000903978618 592399129 /nfs/dbraw/zinc/39/91/29/592399129.db2.gz HXBQLGKPICSEKM-HGDMLWJWSA-N 2 0 345.399 1.820 20 5 EDBDRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566557425 306419636 /nfs/dbraw/zinc/41/96/36/306419636.db2.gz ZKLWQTLAECLALC-INIZCTEOSA-N 2 0 337.420 1.656 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415031156 304152685 /nfs/dbraw/zinc/15/26/85/304152685.db2.gz GOBFUZSSLDPIEJ-YPMHNXCESA-N 2 0 337.376 1.364 20 5 EDBDRP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000262278402 139265951 /nfs/dbraw/zinc/26/59/51/139265951.db2.gz UGVHXPOVMYBQOW-GDBMZVCRSA-N 2 0 346.431 1.675 20 5 EDBDRP O=C([C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000347022967 143272765 /nfs/dbraw/zinc/27/27/65/143272765.db2.gz OTIYOVOUZYRHDA-OAHLLOKOSA-N 2 0 332.404 1.239 20 5 EDBDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284148936 274096872 /nfs/dbraw/zinc/09/68/72/274096872.db2.gz PDTLXAJIFMXLBF-AWEZNQCLSA-N 2 0 335.452 1.855 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430646409 305061118 /nfs/dbraw/zinc/06/11/18/305061118.db2.gz PGPJUZHXRXFAGF-LBPRGKRZSA-N 2 0 336.392 1.603 20 5 EDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299727591 444125770 /nfs/dbraw/zinc/12/57/70/444125770.db2.gz SVBJBCWRKBCIFA-CYBMUJFWSA-N 2 0 337.424 1.411 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863738 445347076 /nfs/dbraw/zinc/34/70/76/445347076.db2.gz UUFQZSMHOGMAHN-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351487858 446090097 /nfs/dbraw/zinc/09/00/97/446090097.db2.gz CYBDKBNGQVSZJE-FPMFFAJLSA-N 2 0 348.403 1.601 20 5 EDBDRP CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420343757 446515790 /nfs/dbraw/zinc/51/57/90/446515790.db2.gz RELMXOKWTGRNCW-LSDHHAIUSA-N 2 0 346.431 1.879 20 5 EDBDRP COc1ccc(NC(=O)CCN2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595907653 449246108 /nfs/dbraw/zinc/24/61/08/449246108.db2.gz CLVZFURIPBGOFD-UHFFFAOYSA-N 2 0 334.376 1.355 20 5 EDBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602619796 449709822 /nfs/dbraw/zinc/70/98/22/449709822.db2.gz RZSMEZOOCYSCID-ZDUSSCGKSA-N 2 0 347.419 1.852 20 5 EDBDRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430958183 305070839 /nfs/dbraw/zinc/07/08/39/305070839.db2.gz RQXXNQBYZDPOPV-MLGOLLRUSA-N 2 0 332.404 1.759 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414984356 447385078 /nfs/dbraw/zinc/38/50/78/447385078.db2.gz LXWNUEVQASANFS-AWEZNQCLSA-N 2 0 346.353 1.829 20 5 EDBDRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000174948305 441987369 /nfs/dbraw/zinc/98/73/69/441987369.db2.gz HMYAWYZVBNWFOG-ZDUSSCGKSA-N 2 0 334.420 1.857 20 5 EDBDRP C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000265943281 442979181 /nfs/dbraw/zinc/97/91/81/442979181.db2.gz GEQMPOKCTPSUMY-GOEBONIOSA-N 2 0 337.420 1.608 20 5 EDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299727592 444126271 /nfs/dbraw/zinc/12/62/71/444126271.db2.gz SVBJBCWRKBCIFA-ZDUSSCGKSA-N 2 0 337.424 1.411 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351487861 446089525 /nfs/dbraw/zinc/08/95/25/446089525.db2.gz CYBDKBNGQVSZJE-YUTCNCBUSA-N 2 0 348.403 1.601 20 5 EDBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423042443 447795967 /nfs/dbraw/zinc/79/59/67/447795967.db2.gz ZEPNGVYAMJRKPA-WFASDCNBSA-N 2 0 341.433 1.476 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726505 448473169 /nfs/dbraw/zinc/47/31/69/448473169.db2.gz ANGNTQKGJWSYRV-RRFJBIMHSA-N 2 0 335.404 1.551 20 5 EDBDRP COc1ccc(NC(=O)CC[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592484396 448855941 /nfs/dbraw/zinc/85/59/41/448855941.db2.gz AIRBASQLPVDWKS-UHFFFAOYSA-N 2 0 336.392 1.745 20 5 EDBDRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000894376223 591294970 /nfs/dbraw/zinc/29/49/70/591294970.db2.gz RASMFNQOUSHKFN-UHFFFAOYSA-N 2 0 336.440 1.112 20 5 EDBDRP O=C1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903522080 592196487 /nfs/dbraw/zinc/19/64/87/592196487.db2.gz KIKTZNLGJHQLDB-AEFFLSMTSA-N 2 0 346.431 1.374 20 5 EDBDRP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736968 592299007 /nfs/dbraw/zinc/29/90/07/592299007.db2.gz ODMZLUYEFNJQES-QZTJIDSGSA-N 2 0 346.431 1.485 20 5 EDBDRP COc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866011557 596757427 /nfs/dbraw/zinc/75/74/27/596757427.db2.gz HHODTKLZFJCPKB-ZIAGYGMSSA-N 2 0 336.436 1.779 20 5 EDBDRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000133435364 287539170 /nfs/dbraw/zinc/53/91/70/287539170.db2.gz JZYOWAGYBCALTN-UHFFFAOYSA-N 2 0 337.424 1.860 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939018 305069390 /nfs/dbraw/zinc/06/93/90/305069390.db2.gz JYDUVCIVPLWQNL-YPMHNXCESA-N 2 0 336.392 1.601 20 5 EDBDRP CC(C)[N@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000534870814 306009029 /nfs/dbraw/zinc/00/90/29/306009029.db2.gz ICQRYOAPSPWUTH-UHFFFAOYSA-N 2 0 336.436 1.809 20 5 EDBDRP Cc1c(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000193642318 442763069 /nfs/dbraw/zinc/76/30/69/442763069.db2.gz LRVMIMBYBZHVIT-OKILXGFUSA-N 2 0 332.404 1.725 20 5 EDBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571671060 321396220 /nfs/dbraw/zinc/39/62/20/321396220.db2.gz PRGUREBKXFXPSS-LZWOXQAQSA-N 2 0 337.420 1.797 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000582482566 448250523 /nfs/dbraw/zinc/25/05/23/448250523.db2.gz JFCPFMUUHZFFAW-WCQYABFASA-N 2 0 332.360 1.205 20 5 EDBDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393830 448367632 /nfs/dbraw/zinc/36/76/32/448367632.db2.gz ZSBHEBCYGODABE-GJZGRUSLSA-N 2 0 337.420 1.656 20 5 EDBDRP Cc1ccc([C@H](C)NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856712 448483181 /nfs/dbraw/zinc/48/31/81/448483181.db2.gz BBKOYLAVQVUAGQ-JSGCOSHPSA-N 2 0 335.408 1.249 20 5 EDBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596654564 449588255 /nfs/dbraw/zinc/58/82/55/449588255.db2.gz QEIAHLILSYWXBW-LLVKDONJSA-N 2 0 331.376 1.660 20 5 EDBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602548573 449666638 /nfs/dbraw/zinc/66/66/38/449666638.db2.gz NBPXBYRDGYCNEN-MRXNPFEDSA-N 2 0 332.448 1.895 20 5 EDBDRP C[NH+](C)CCN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876925919 597387043 /nfs/dbraw/zinc/38/70/43/597387043.db2.gz HORZIVLRLYZINE-UHFFFAOYSA-N 2 0 336.440 1.110 20 5 EDBDRP C[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000414478138 304117805 /nfs/dbraw/zinc/11/78/05/304117805.db2.gz DFOCHHXSMDKNPA-UHFFFAOYSA-N 2 0 348.447 1.481 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989569 304148910 /nfs/dbraw/zinc/14/89/10/304148910.db2.gz QQHYJWMZFJQCJM-ZDUSSCGKSA-N 2 0 332.326 1.521 20 5 EDBDRP COc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000415140688 304163386 /nfs/dbraw/zinc/16/33/86/304163386.db2.gz NQGBHIGJKOCWCU-ZBFHGGJFSA-N 2 0 347.415 1.804 20 5 EDBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261973507 139240988 /nfs/dbraw/zinc/24/09/88/139240988.db2.gz QNMCQDPESJDZOU-LBPRGKRZSA-N 2 0 340.811 1.535 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000347852420 143370386 /nfs/dbraw/zinc/37/03/86/143370386.db2.gz CCBMSHJHHWOFDX-UHFFFAOYSA-N 2 0 334.420 1.457 20 5 EDBDRP CN(C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000358500227 151397520 /nfs/dbraw/zinc/39/75/20/151397520.db2.gz PRGGLARWBBFCGE-UHFFFAOYSA-N 2 0 332.404 1.633 20 5 EDBDRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1[N+](=O)[O-] ZINC000358503659 319112890 /nfs/dbraw/zinc/11/28/90/319112890.db2.gz DVHCRNDFMINGCT-UHFFFAOYSA-N 2 0 332.404 1.999 20 5 EDBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423406463 446522247 /nfs/dbraw/zinc/52/22/47/446522247.db2.gz KYAPNQVKQWUKNB-BZPMIXESSA-N 2 0 325.434 1.635 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442776916 446964042 /nfs/dbraw/zinc/96/40/42/446964042.db2.gz HXNRAHOUELLFEQ-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000599062712 449713835 /nfs/dbraw/zinc/71/38/35/449713835.db2.gz QMXDYZPZJHNFJK-YOEHRIQHSA-N 2 0 348.447 1.845 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602658497 449734945 /nfs/dbraw/zinc/73/49/45/449734945.db2.gz ZHYZCMVONYXJCZ-UHFFFAOYSA-N 2 0 335.408 1.661 20 5 EDBDRP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000892100366 590799001 /nfs/dbraw/zinc/79/90/01/590799001.db2.gz DSAAIFQITGJCKV-UHFFFAOYSA-N 2 0 346.431 1.694 20 5 EDBDRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ncc2[N+](=O)[O-])CC[NH+]1C ZINC000895735866 591264630 /nfs/dbraw/zinc/26/46/30/591264630.db2.gz GBMZOWFFKYCKQZ-FDYHWXHSSA-N 2 0 349.439 1.394 20 5 EDBDRP O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414985773 296325476 /nfs/dbraw/zinc/32/54/76/296325476.db2.gz HYDKZHPRVZNCAH-WBVHZDCISA-N 2 0 332.404 1.331 20 5 EDBDRP [NH3+]C1CC[NH+](CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000433160666 305102234 /nfs/dbraw/zinc/10/22/34/305102234.db2.gz HTFGOOOYJXIZLO-UHFFFAOYSA-N 2 0 346.431 1.683 20 5 EDBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134192 305307259 /nfs/dbraw/zinc/30/72/59/305307259.db2.gz HJLNMXJECCAAQE-GDBMZVCRSA-N 2 0 348.447 1.703 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414934949 447363628 /nfs/dbraw/zinc/36/36/28/447363628.db2.gz YJHAFFSSKUEPOQ-STQMWFEESA-N 2 0 337.376 1.506 20 5 EDBDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000077450384 441782202 /nfs/dbraw/zinc/78/22/02/441782202.db2.gz FRAIHJOBQGOCJM-UHFFFAOYSA-N 2 0 345.346 1.743 20 5 EDBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000268878613 443135461 /nfs/dbraw/zinc/13/54/61/443135461.db2.gz XCOWHZRNEZPSEU-DLBZAZTESA-N 2 0 333.432 1.962 20 5 EDBDRP COc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420334026 446504567 /nfs/dbraw/zinc/50/45/67/446504567.db2.gz KUTSSRMXEIHUKY-OKILXGFUSA-N 2 0 335.404 1.914 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000591726509 448473411 /nfs/dbraw/zinc/47/34/11/448473411.db2.gz CMABQPURHIHPHX-IJEWVQPXSA-N 2 0 335.404 1.551 20 5 EDBDRP CC[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000592488745 448859677 /nfs/dbraw/zinc/85/96/77/448859677.db2.gz MYUGFQBFUGSVOH-GXTWGEPZSA-N 2 0 348.403 1.952 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000595019538 449842338 /nfs/dbraw/zinc/84/23/38/449842338.db2.gz QPBFXJHZCNRYGT-ZIAGYGMSSA-N 2 0 336.436 1.890 20 5 EDBDRP C[NH+]1CCC(Nc2ncnc(NC3CC[NH+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603269669 450196450 /nfs/dbraw/zinc/19/64/50/450196450.db2.gz XEISECDVNVGSEZ-UHFFFAOYSA-N 2 0 349.439 1.397 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000903491925 592185132 /nfs/dbraw/zinc/18/51/32/592185132.db2.gz GJDFGJLPWBWKBK-VBQJREDUSA-N 2 0 333.388 1.350 20 5 EDBDRP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736970 592299298 /nfs/dbraw/zinc/29/92/98/592299298.db2.gz ODMZLUYEFNJQES-ZWKOTPCHSA-N 2 0 346.431 1.485 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000882679213 598020744 /nfs/dbraw/zinc/02/07/44/598020744.db2.gz TWVMEOBHRXPILG-VXGBXAGGSA-N 2 0 325.388 1.305 20 5 EDBDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1 ZINC000374295669 157230927 /nfs/dbraw/zinc/23/09/27/157230927.db2.gz KFKKYPFMEBSEFG-AWEZNQCLSA-N 2 0 333.436 1.988 20 5 EDBDRP O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000572510498 321430717 /nfs/dbraw/zinc/43/07/17/321430717.db2.gz SLYCYJGBARLXIW-GOEBONIOSA-N 2 0 346.431 1.327 20 5 EDBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12 ZINC000351474177 446074805 /nfs/dbraw/zinc/07/48/05/446074805.db2.gz FUMQIQWUAJRBIR-MRVWCRGKSA-N 2 0 346.387 1.562 20 5 EDBDRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443057883 446999321 /nfs/dbraw/zinc/99/93/21/446999321.db2.gz IPHKHBHAXRLEEU-BBRMVZONSA-N 2 0 332.404 1.761 20 5 EDBDRP Cc1c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cccc1[N+](=O)[O-] ZINC000866711016 596303770 /nfs/dbraw/zinc/30/37/70/596303770.db2.gz ZPNMKJLWLVKLDN-IMJJTQAJSA-N 2 0 346.387 1.270 20 5 EDBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000872223709 596842751 /nfs/dbraw/zinc/84/27/51/596842751.db2.gz WIAWHKNUXXFEFC-MRXNPFEDSA-N 2 0 339.440 1.252 20 5 EDBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000866270926 596843596 /nfs/dbraw/zinc/84/35/96/596843596.db2.gz YDDDYOAOTXVYGV-LBPRGKRZSA-N 2 0 325.384 1.711 20 5 EDBDRP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259224 597885753 /nfs/dbraw/zinc/88/57/53/597885753.db2.gz NZIVCTRWXFLXLR-ZDUSSCGKSA-N 2 0 330.392 1.705 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347138785 143286787 /nfs/dbraw/zinc/28/67/87/143286787.db2.gz UZSLZPJVTPHOFC-MRXNPFEDSA-N 2 0 346.431 1.547 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621283 305059483 /nfs/dbraw/zinc/05/94/83/305059483.db2.gz CTDPIZFCPUJYFY-GFCCVEGCSA-N 2 0 336.392 1.603 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430942997 305069873 /nfs/dbraw/zinc/06/98/73/305069873.db2.gz NTSKOUNOGFIBEF-WCQYABFASA-N 2 0 336.392 1.601 20 5 EDBDRP Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000522171841 305800670 /nfs/dbraw/zinc/80/06/70/305800670.db2.gz BNUOUQBEWGAFDW-UHFFFAOYSA-N 2 0 339.440 1.279 20 5 EDBDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122944159 441869165 /nfs/dbraw/zinc/86/91/65/441869165.db2.gz ASTOHUQYNNTQEB-UHFFFAOYSA-N 2 0 334.420 1.693 20 5 EDBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566106496 321215361 /nfs/dbraw/zinc/21/53/61/321215361.db2.gz RVGAZLQHTSZUIL-HOCLYGCPSA-N 2 0 339.440 1.254 20 5 EDBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350181551 445788244 /nfs/dbraw/zinc/78/82/44/445788244.db2.gz PURLDLAZSQCHBI-HNNXBMFYSA-N 2 0 325.413 1.224 20 5 EDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442776918 446963583 /nfs/dbraw/zinc/96/35/83/446963583.db2.gz HXNRAHOUELLFEQ-RYUDHWBXSA-N 2 0 336.392 1.601 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000532514544 448267872 /nfs/dbraw/zinc/26/78/72/448267872.db2.gz UNFSEQIOMCUJJG-CJNGLKHVSA-N 2 0 334.420 1.894 20 5 EDBDRP CC[NH+]1CCC(N2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000574746924 448945068 /nfs/dbraw/zinc/94/50/68/448945068.db2.gz PUELVZUTCYLTLZ-UHFFFAOYSA-N 2 0 336.440 1.325 20 5 EDBDRP O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000602670454 449740984 /nfs/dbraw/zinc/74/09/84/449740984.db2.gz OPYJSKGMWJCGRR-UHFFFAOYSA-N 2 0 348.447 1.719 20 5 EDBDRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595506873 450194734 /nfs/dbraw/zinc/19/47/34/450194734.db2.gz IFINBQIKPCABBG-FUHWJXTLSA-N 2 0 349.431 1.752 20 5 EDBDRP CCOc1cc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC000904342235 592234333 /nfs/dbraw/zinc/23/43/33/592234333.db2.gz AAFOGONVOVOCKE-OKILXGFUSA-N 2 0 334.420 1.853 20 5 EDBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347683 595082377 /nfs/dbraw/zinc/08/23/77/595082377.db2.gz XDFYJADIPYSLJS-GFCCVEGCSA-N 2 0 338.383 1.994 20 5 EDBDRP CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011986 596757472 /nfs/dbraw/zinc/75/74/72/596757472.db2.gz NSYRQSYAULIXAP-HUUCEWRRSA-N 2 0 348.447 1.973 20 5 EDBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640522 305060717 /nfs/dbraw/zinc/06/07/17/305060717.db2.gz RDGISVCPOWPLDA-GDBMZVCRSA-N 2 0 346.431 1.800 20 5 EDBDRP C[NH2+]CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430934739 305069072 /nfs/dbraw/zinc/06/90/72/305069072.db2.gz NNLSHHVSJLOAJF-INIZCTEOSA-N 2 0 332.404 1.632 20 5 EDBDRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430958181 305070946 /nfs/dbraw/zinc/07/09/46/305070946.db2.gz RQXXNQBYZDPOPV-LRDDRELGSA-N 2 0 332.404 1.759 20 5 EDBDRP C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156028 442248661 /nfs/dbraw/zinc/24/86/61/442248661.db2.gz DIPHMLFBSCHYCZ-ZFWWWQNUSA-N 2 0 334.420 1.833 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193625484 442761155 /nfs/dbraw/zinc/76/11/55/442761155.db2.gz SGFFEXRBXAWNAS-OKILXGFUSA-N 2 0 332.404 1.725 20 5 EDBDRP [NH3+]CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000565542607 321190802 /nfs/dbraw/zinc/19/08/02/321190802.db2.gz FOFVYHXHABDUII-MRXNPFEDSA-N 2 0 332.404 1.761 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864936 445347549 /nfs/dbraw/zinc/34/75/49/445347549.db2.gz ZWLMCNKOKQVONM-NEPJUHHUSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423464970 446549200 /nfs/dbraw/zinc/54/92/00/446549200.db2.gz WFCPGTWZYWSLIM-NJAPINKUSA-N 2 0 346.431 1.892 20 5 EDBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570443784 448015496 /nfs/dbraw/zinc/01/54/96/448015496.db2.gz ARZMDKPDMMDWDO-ZFWWWQNUSA-N 2 0 335.404 1.408 20 5 EDBDRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000567103846 448613921 /nfs/dbraw/zinc/61/39/21/448613921.db2.gz SHCGPZDBDBFKLB-OAHLLOKOSA-N 2 0 337.420 1.656 20 5 EDBDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877744 449885654 /nfs/dbraw/zinc/88/56/54/449885654.db2.gz MDVAMONQAXAESQ-OAHLLOKOSA-N 2 0 349.431 1.752 20 5 EDBDRP COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000903091436 592119010 /nfs/dbraw/zinc/11/90/10/592119010.db2.gz UEQCNURASUNAMT-KGLIPLIRSA-N 2 0 336.436 1.890 20 5 EDBDRP O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000903787191 592322925 /nfs/dbraw/zinc/32/29/25/592322925.db2.gz VJDVRUMPZXFZSU-UHFFFAOYSA-N 2 0 343.225 1.352 20 5 EDBDRP C[NH+](C)CCC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000853624644 595837348 /nfs/dbraw/zinc/83/73/48/595837348.db2.gz PEDNGBMAPVMWGW-MRXNPFEDSA-N 2 0 347.419 1.945 20 5 EDBDRP CC(=O)c1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000866012102 596757553 /nfs/dbraw/zinc/75/75/53/596757553.db2.gz QEHVXXWLGIHBNT-HUUCEWRRSA-N 2 0 348.447 1.973 20 5 EDBDRP CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882678584 598020656 /nfs/dbraw/zinc/02/06/56/598020656.db2.gz DYWBFTWQBKFWBV-HUUCEWRRSA-N 2 0 348.447 1.973 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415031155 304152551 /nfs/dbraw/zinc/15/25/51/304152551.db2.gz GOBFUZSSLDPIEJ-WCQYABFASA-N 2 0 337.376 1.364 20 5 EDBDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000372416918 156379400 /nfs/dbraw/zinc/37/94/00/156379400.db2.gz SFUPAOLLOIXCSH-AWEZNQCLSA-N 2 0 333.436 1.988 20 5 EDBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)c1 ZINC000414874722 447337055 /nfs/dbraw/zinc/33/70/55/447337055.db2.gz YZELLGXNPOXRJE-UHFFFAOYSA-N 2 0 330.388 1.850 20 5 EDBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568502597 321294704 /nfs/dbraw/zinc/29/47/04/321294704.db2.gz VGFXXBGNMXLIGP-KRWDZBQOSA-N 2 0 347.419 1.046 20 5 EDBDRP COc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592182183 448725557 /nfs/dbraw/zinc/72/55/57/448725557.db2.gz LFKAXGASZMPVAQ-UHFFFAOYSA-N 2 0 335.404 1.900 20 5 EDBDRP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000574034346 448774729 /nfs/dbraw/zinc/77/47/29/448774729.db2.gz XBSPYYLBAYYIRM-UKRRQHHQSA-N 2 0 335.404 1.575 20 5 EDBDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819390699 593753190 /nfs/dbraw/zinc/75/31/90/593753190.db2.gz SQQQRDTXAPHZTL-QGZVFWFLSA-N 2 0 336.436 1.244 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152368 596813897 /nfs/dbraw/zinc/81/38/97/596813897.db2.gz QCAUSNRUNGQJBK-SUMWQHHRSA-N 2 0 332.404 1.773 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139400444 697837598 /nfs/dbraw/zinc/83/75/98/697837598.db2.gz OQCHJHMLOQNFHW-UHFFFAOYSA-N 2 0 342.827 1.814 20 5 EDBDRP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261822805 139229103 /nfs/dbraw/zinc/22/91/03/139229103.db2.gz WUUZMMVHLHMKLU-LBPRGKRZSA-N 2 0 340.811 1.535 20 5 EDBDRP C[N@@H+]1CC[C@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264926 289301159 /nfs/dbraw/zinc/30/11/59/289301159.db2.gz ZBBSGHLNYYKIIF-RDJZCZTQSA-N 2 0 335.404 1.362 20 5 EDBDRP NC(=O)c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000325652695 444367807 /nfs/dbraw/zinc/36/78/07/444367807.db2.gz ZXIVQUHJUQUFCB-UHFFFAOYSA-N 2 0 336.392 1.024 20 5 EDBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342105177 445174282 /nfs/dbraw/zinc/17/42/82/445174282.db2.gz NZJRQXRCAJCDOZ-BFHYXJOUSA-N 2 0 332.404 1.983 20 5 EDBDRP CC(C)[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000262045290 535049626 /nfs/dbraw/zinc/04/96/26/535049626.db2.gz HXLQXHRSAYNRJT-UHFFFAOYSA-N 2 0 334.420 1.627 20 5 EDBDRP Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905701146 592614460 /nfs/dbraw/zinc/61/44/60/592614460.db2.gz URJRYXOHVPDSKI-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055766 593736124 /nfs/dbraw/zinc/73/61/24/593736124.db2.gz YRIMAHUDKZPEKB-YJBOKZPZSA-N 2 0 348.447 1.386 20 5 EDBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819135415 593740880 /nfs/dbraw/zinc/74/08/80/593740880.db2.gz WJUVZESQKJVUPO-QGZVFWFLSA-N 2 0 336.436 1.244 20 5 EDBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709199 596302617 /nfs/dbraw/zinc/30/26/17/596302617.db2.gz ITXXUSCNZYIDBL-RKLWJJNISA-N 2 0 346.387 1.523 20 5 EDBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000557584986 306229954 /nfs/dbraw/zinc/22/99/54/306229954.db2.gz JZMALWYZSGMPEE-GDBMZVCRSA-N 2 0 336.436 1.162 20 5 EDBDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563617857 306342277 /nfs/dbraw/zinc/34/22/77/306342277.db2.gz JUYVWGGFBWHERB-NRXISQOPSA-N 2 0 337.420 1.797 20 5 EDBDRP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000563953263 306353205 /nfs/dbraw/zinc/35/32/05/306353205.db2.gz FOEOGYUCOWVFKP-XJKSGUPXSA-N 2 0 335.404 1.575 20 5 EDBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928199 151199551 /nfs/dbraw/zinc/19/95/51/151199551.db2.gz KNAJPCTXARVBJW-CQSZACIVSA-N 2 0 325.413 1.224 20 5 EDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560365 152096321 /nfs/dbraw/zinc/09/63/21/152096321.db2.gz FTXYSNGGDIGYNN-KRWDZBQOSA-N 2 0 332.404 1.917 20 5 EDBDRP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315097 446479658 /nfs/dbraw/zinc/47/96/58/446479658.db2.gz ZQUDCVXTMLXENO-CQSZACIVSA-N 2 0 332.404 1.352 20 5 EDBDRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423451232 446542878 /nfs/dbraw/zinc/54/28/78/446542878.db2.gz IGBDIXFVWOFRJG-XZOAIXRZSA-N 2 0 346.431 1.892 20 5 EDBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600682837 449491137 /nfs/dbraw/zinc/49/11/37/449491137.db2.gz QMLPNUWEFRBNCZ-XJKSGUPXSA-N 2 0 344.419 1.832 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000903492269 592184923 /nfs/dbraw/zinc/18/49/23/592184923.db2.gz KWHFKVCXDICGFM-ZHRONYKTSA-N 2 0 333.388 1.868 20 5 EDBDRP Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000905702003 592615424 /nfs/dbraw/zinc/61/54/24/592615424.db2.gz CCRRXEVAHUUVDD-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000878373808 597598260 /nfs/dbraw/zinc/59/82/60/597598260.db2.gz USKVFKPYIRNGHD-ZDUSSCGKSA-N 2 0 334.420 1.764 20 5 EDBDRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004147925 711560384 /nfs/dbraw/zinc/56/03/84/711560384.db2.gz ODFQEJVTUBIGCE-UHFFFAOYSA-N 2 0 346.431 1.771 20 5 EDBDRP [NH3+]CCC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000565096159 306375380 /nfs/dbraw/zinc/37/53/80/306375380.db2.gz JWEDCKHICLPOSL-UHFFFAOYSA-N 2 0 348.403 1.954 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414836433 304146460 /nfs/dbraw/zinc/14/64/60/304146460.db2.gz SLJHWMLAGPCHHO-GFCCVEGCSA-N 2 0 337.376 1.236 20 5 EDBDRP CCC[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000371900367 156159456 /nfs/dbraw/zinc/15/94/56/156159456.db2.gz XQKXLADLBOCDBS-UHFFFAOYSA-N 2 0 334.424 1.381 20 5 EDBDRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000554550875 306195284 /nfs/dbraw/zinc/19/52/84/306195284.db2.gz TXCTYUVUSBRFBH-KGLIPLIRSA-N 2 0 327.429 1.108 20 5 EDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000057157294 441093639 /nfs/dbraw/zinc/09/36/39/441093639.db2.gz JOWJDMZUXMBMLW-UHFFFAOYSA-N 2 0 326.397 1.533 20 5 EDBDRP Cc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000092615636 441813507 /nfs/dbraw/zinc/81/35/07/441813507.db2.gz FAROOKSFCWAJAU-UHFFFAOYSA-N 2 0 348.447 1.793 20 5 EDBDRP C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342691355 444816422 /nfs/dbraw/zinc/81/64/22/444816422.db2.gz HIANJNQAECJVST-HNNXBMFYSA-N 2 0 337.420 1.608 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864939 445347630 /nfs/dbraw/zinc/34/76/30/445347630.db2.gz ZWLMCNKOKQVONM-VXGBXAGGSA-N 2 0 336.392 1.601 20 5 EDBDRP C[N@@H+]1CCC[C@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363180066 445709636 /nfs/dbraw/zinc/70/96/36/445709636.db2.gz WVDOOZPMGSIHLD-SFHVURJKSA-N 2 0 332.448 1.849 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442773581 446964001 /nfs/dbraw/zinc/96/40/01/446964001.db2.gz XWQATWVQHDVGCT-NWDGAFQWSA-N 2 0 336.392 1.601 20 5 EDBDRP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1)[NH+](C)C ZINC000443440806 447051869 /nfs/dbraw/zinc/05/18/69/447051869.db2.gz JCMFACIXSKXLHU-UWVGGRQHSA-N 2 0 330.458 1.775 20 5 EDBDRP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)sc1[N+](=O)[O-])[NH+](C)C ZINC000443440810 447052160 /nfs/dbraw/zinc/05/21/60/447052160.db2.gz JCMFACIXSKXLHU-ZJUUUORDSA-N 2 0 330.458 1.775 20 5 EDBDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787706 448025031 /nfs/dbraw/zinc/02/50/31/448025031.db2.gz WYKARWHWOASPMH-INIZCTEOSA-N 2 0 339.440 1.204 20 5 EDBDRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582464995 448243775 /nfs/dbraw/zinc/24/37/75/448243775.db2.gz ILUXUTWNRHJRKO-MRXNPFEDSA-N 2 0 333.392 1.004 20 5 EDBDRP CCOCCC[N@@H+]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602814260 449828025 /nfs/dbraw/zinc/82/80/25/449828025.db2.gz YSEZUNCVABIQAE-UKRRQHHQSA-N 2 0 339.440 1.555 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000819172360 593742556 /nfs/dbraw/zinc/74/25/56/593742556.db2.gz DKAFZWRPQDOOJG-OKZBNKHCSA-N 2 0 349.431 1.596 20 5 EDBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263215082 139328733 /nfs/dbraw/zinc/32/87/33/139328733.db2.gz KURXPRSKOPQVKN-NHYWBVRUSA-N 2 0 333.413 1.993 20 5 EDBDRP C[C@@H]1C[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085544 441875279 /nfs/dbraw/zinc/87/52/79/441875279.db2.gz MZWYQDGKYBKCQD-HIFRSBDPSA-N 2 0 346.431 1.898 20 5 EDBDRP CC[NH+](CC)CCOC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350064545 445760078 /nfs/dbraw/zinc/76/00/78/445760078.db2.gz BLZPERFICWQYAH-UHFFFAOYSA-N 2 0 339.440 1.614 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000583867320 326154831 /nfs/dbraw/zinc/15/48/31/326154831.db2.gz AEUHINVWGKFRDR-KRWDZBQOSA-N 2 0 349.431 1.941 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420391401 446566149 /nfs/dbraw/zinc/56/61/49/446566149.db2.gz SLERBMKOUGCECV-CVEARBPZSA-N 2 0 347.415 1.804 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442773580 446963900 /nfs/dbraw/zinc/96/39/00/446963900.db2.gz XWQATWVQHDVGCT-NEPJUHHUSA-N 2 0 336.392 1.601 20 5 EDBDRP CC1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000574440802 448875014 /nfs/dbraw/zinc/87/50/14/448875014.db2.gz ANENKLYFVWGXKU-OAHLLOKOSA-N 2 0 332.404 1.339 20 5 EDBDRP C[NH2+]C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC1 ZINC000600824791 449566201 /nfs/dbraw/zinc/56/62/01/449566201.db2.gz PODMEFPNHPTNIZ-UHFFFAOYSA-N 2 0 329.360 1.652 20 5 EDBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059908 593736614 /nfs/dbraw/zinc/73/66/14/593736614.db2.gz DREFYKNWDVJUMX-MRXNPFEDSA-N 2 0 336.436 1.244 20 5 EDBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709195 596303352 /nfs/dbraw/zinc/30/33/52/596303352.db2.gz ITXXUSCNZYIDBL-KOZAUXTDSA-N 2 0 346.387 1.523 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000866270925 596843478 /nfs/dbraw/zinc/84/34/78/596843478.db2.gz YDDDYOAOTXVYGV-GFCCVEGCSA-N 2 0 325.384 1.711 20 5 EDBDRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000414734523 304134463 /nfs/dbraw/zinc/13/44/63/304134463.db2.gz FWBKYCXSIVLGMR-LSDHHAIUSA-N 2 0 346.431 1.741 20 5 EDBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347127167 143285685 /nfs/dbraw/zinc/28/56/85/143285685.db2.gz YRGDAVYWEKOQJC-BYPUDFOVSA-N 2 0 332.404 1.395 20 5 EDBDRP C[C@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032459 304883523 /nfs/dbraw/zinc/88/35/23/304883523.db2.gz FJVZGFOOONVFFH-GFCCVEGCSA-N 2 0 329.422 1.476 20 5 EDBDRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431011003 305072702 /nfs/dbraw/zinc/07/27/02/305072702.db2.gz ANPITZSZYZRENL-UHFFFAOYSA-N 2 0 332.404 1.999 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000532033509 305971865 /nfs/dbraw/zinc/97/18/65/305971865.db2.gz DGDGSONTSHHZNY-UHFFFAOYSA-N 2 0 336.436 1.479 20 5 EDBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025454 319937493 /nfs/dbraw/zinc/93/74/93/319937493.db2.gz SWTXELRWLBYTMV-ZDUSSCGKSA-N 2 0 332.404 1.997 20 5 EDBDRP C[C@@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000343787053 444590836 /nfs/dbraw/zinc/59/08/36/444590836.db2.gz HPAIIDNSZKAAMO-UWVGGRQHSA-N 2 0 330.458 1.775 20 5 EDBDRP Cc1ccc(CN2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362672378 445490974 /nfs/dbraw/zinc/49/09/74/445490974.db2.gz MSXDQCPLGFOSOS-OAHLLOKOSA-N 2 0 332.404 1.299 20 5 EDBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359300674 446133253 /nfs/dbraw/zinc/13/32/53/446133253.db2.gz HLCSXVUBBQVWCC-KBPBESRZSA-N 2 0 328.372 1.944 20 5 EDBDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819391372 593753188 /nfs/dbraw/zinc/75/31/88/593753188.db2.gz YNOODKVIWLBTIK-KRWDZBQOSA-N 2 0 336.436 1.244 20 5 EDBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CC[NH+](C)CC1 ZINC000866219607 596832218 /nfs/dbraw/zinc/83/22/18/596832218.db2.gz SZCHZXPXDDJGGM-AWEZNQCLSA-N 2 0 338.427 1.892 20 5 EDBDRP C[NH+]1CCN(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000877746386 597552631 /nfs/dbraw/zinc/55/26/31/597552631.db2.gz NMKGRQKKTYMMTN-UHFFFAOYSA-N 2 0 332.448 1.849 20 5 EDBDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000123221266 222237857 /nfs/dbraw/zinc/23/78/57/222237857.db2.gz SXZNJTKSHCJPAX-MRXNPFEDSA-N 2 0 339.440 1.206 20 5 EDBDRP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854697 321151667 /nfs/dbraw/zinc/15/16/67/321151667.db2.gz SCMILEVGVIUIEX-ZIAGYGMSSA-N 2 0 339.436 1.900 20 5 EDBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000342093617 445168631 /nfs/dbraw/zinc/16/86/31/445168631.db2.gz WRQXORHWDIICFR-ZFVVBOAOSA-N 2 0 344.415 1.759 20 5 EDBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420327651 446495626 /nfs/dbraw/zinc/49/56/26/446495626.db2.gz GTGCFHPEVHPARG-SJORKVTESA-N 2 0 335.404 1.802 20 5 EDBDRP C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000420409697 446582782 /nfs/dbraw/zinc/58/27/82/446582782.db2.gz QOGNNTOFULVPSX-OLZOCXBDSA-N 2 0 348.403 1.810 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000582482565 448249900 /nfs/dbraw/zinc/24/99/00/448249900.db2.gz JFCPFMUUHZFFAW-DGCLKSJQSA-N 2 0 332.360 1.205 20 5 EDBDRP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000591739572 448477611 /nfs/dbraw/zinc/47/76/11/448477611.db2.gz IUOKWLNAYMOCPJ-HIFRSBDPSA-N 2 0 337.420 1.654 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593449868 449290007 /nfs/dbraw/zinc/29/00/07/449290007.db2.gz AMGGZLPBEWMYTF-UHFFFAOYSA-N 2 0 340.399 1.228 20 5 EDBDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749674327 579734471 /nfs/dbraw/zinc/73/44/71/579734471.db2.gz WOSGCGBGXQNVJE-QGZVFWFLSA-N 2 0 336.436 1.245 20 5 EDBDRP C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000819058256 593736400 /nfs/dbraw/zinc/73/64/00/593736400.db2.gz HBEJDGPXTKFZLP-YOEHRIQHSA-N 2 0 336.436 1.101 20 5 EDBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000843072037 595280618 /nfs/dbraw/zinc/28/06/18/595280618.db2.gz DWWCPQPMQIAHKF-SJORKVTESA-N 2 0 337.420 1.455 20 5 EDBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000866264345 596841917 /nfs/dbraw/zinc/84/19/17/596841917.db2.gz YKIZIQNRAPLIEQ-ZIAGYGMSSA-N 2 0 338.427 1.890 20 5 EDBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129690363 223081515 /nfs/dbraw/zinc/08/15/15/223081515.db2.gz ZMRSPYHSAQHJLP-HNNXBMFYSA-N 2 0 335.404 1.628 20 5 EDBDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284323444 274161036 /nfs/dbraw/zinc/16/10/36/274161036.db2.gz ZXMNYCJISHNHMR-CYBMUJFWSA-N 2 0 335.452 1.854 20 5 EDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246576821 275042014 /nfs/dbraw/zinc/04/20/14/275042014.db2.gz LRBPKWQQDWQFRV-XKQJLSEDSA-N 2 0 349.435 1.101 20 5 EDBDRP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000449130997 305307366 /nfs/dbraw/zinc/30/73/66/305307366.db2.gz JIYSUEDRYQHRJD-CVEARBPZSA-N 2 0 334.464 1.999 20 5 EDBDRP CN1CCN(C(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000282987784 443488085 /nfs/dbraw/zinc/48/80/85/443488085.db2.gz DUOVGMYKCVNJAO-UHFFFAOYSA-N 2 0 346.431 1.723 20 5 EDBDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566118805 321217630 /nfs/dbraw/zinc/21/76/30/321217630.db2.gz HGMVSLZHAHJODX-XUJLQICISA-N 2 0 337.420 1.797 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000580444985 322052732 /nfs/dbraw/zinc/05/27/32/322052732.db2.gz DIRJLBDWRMTGOF-QWRGUYRKSA-N 2 0 325.365 1.362 20 5 EDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502009 446107217 /nfs/dbraw/zinc/10/72/17/446107217.db2.gz YSPFNIDJISZZAP-FPMFFAJLSA-N 2 0 348.403 1.601 20 5 EDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000582436443 448239681 /nfs/dbraw/zinc/23/96/81/448239681.db2.gz RFCKRNKWMBQHMW-UHFFFAOYSA-N 2 0 348.407 1.037 20 5 EDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000591764750 448486059 /nfs/dbraw/zinc/48/60/59/448486059.db2.gz IRPCUOWQFBYWFS-QGZVFWFLSA-N 2 0 349.431 1.799 20 5 EDBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815560083 593642597 /nfs/dbraw/zinc/64/25/97/593642597.db2.gz XRQKKVZBQIFRQJ-KBPBESRZSA-N 2 0 335.452 1.854 20 5 EDBDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000819287661 593748433 /nfs/dbraw/zinc/74/84/33/593748433.db2.gz QKOLGXUPSFZQAJ-INIZCTEOSA-N 2 0 336.436 1.244 20 5 EDBDRP Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024507 596714748 /nfs/dbraw/zinc/71/47/48/596714748.db2.gz QPNOYNGJBZGYJO-ZIAGYGMSSA-N 2 0 349.435 1.110 20 5 EDBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876930888 597388790 /nfs/dbraw/zinc/38/87/90/597388790.db2.gz GBLHXDAPMIICDU-NFOMZHRRSA-N 2 0 336.440 1.110 20 5 EDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351863737 445347342 /nfs/dbraw/zinc/34/73/42/445347342.db2.gz UUFQZSMHOGMAHN-NEPJUHHUSA-N 2 0 336.392 1.601 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474417 446075140 /nfs/dbraw/zinc/07/51/40/446075140.db2.gz GAJYKDMYMMIHIA-QEJZJMRPSA-N 2 0 332.404 1.901 20 5 EDBDRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420381046 446556977 /nfs/dbraw/zinc/55/69/77/446556977.db2.gz RQQOKDIINLZBMY-KRWDZBQOSA-N 2 0 332.404 1.999 20 5 EDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281644 448304696 /nfs/dbraw/zinc/30/46/96/448304696.db2.gz HQUUAECNPKCDSM-HNNXBMFYSA-N 2 0 349.387 1.378 20 5 EDBDRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596363653 449482792 /nfs/dbraw/zinc/48/27/92/449482792.db2.gz UNYVACVPCUGVLP-LBPRGKRZSA-N 2 0 337.424 1.378 20 5 EDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602548572 449666737 /nfs/dbraw/zinc/66/67/37/449666737.db2.gz NBPXBYRDGYCNEN-INIZCTEOSA-N 2 0 332.448 1.895 20 5 EDBDRP Cn1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000903792551 592316413 /nfs/dbraw/zinc/31/64/13/592316413.db2.gz DRYABRNQBAJZDZ-UHFFFAOYSA-N 2 0 329.404 1.821 20 5 EDBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559068 593642621 /nfs/dbraw/zinc/64/26/21/593642621.db2.gz WOLDVXRRXVTAAM-CQSZACIVSA-N 2 0 335.452 1.855 20 5 EDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000843073744 595281332 /nfs/dbraw/zinc/28/13/32/595281332.db2.gz UNPFBBOCLCMYEO-IAGOWNOFSA-N 2 0 337.420 1.455 20 5 EDBDRP CSC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC[NH+](C)CC1 ZINC000877539828 597532743 /nfs/dbraw/zinc/53/27/43/597532743.db2.gz UDQAGYZTCHNIAF-UHFFFAOYSA-N 2 0 339.465 1.912 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000877669812 597546628 /nfs/dbraw/zinc/54/66/28/597546628.db2.gz AIFPWJPTAHNGBE-IAGOWNOFSA-N 2 0 334.464 1.809 20 5 EDBDRP CC[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2CC)ncc1[N+](=O)[O-] ZINC000882958853 598116550 /nfs/dbraw/zinc/11/65/50/598116550.db2.gz MLGGDGYQXLJQBM-STQMWFEESA-N 2 0 349.439 1.397 20 5 EDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000563811872 306348162 /nfs/dbraw/zinc/34/81/62/306348162.db2.gz WNJAMAUORYQTJS-ZBFHGGJFSA-N 2 0 348.403 1.022 20 5 EDBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784410 304140354 /nfs/dbraw/zinc/14/03/54/304140354.db2.gz SEVZJVIRGYHUQA-AWEZNQCLSA-N 2 0 349.435 1.197 20 5 EDBDRP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262057791 139247354 /nfs/dbraw/zinc/24/73/54/139247354.db2.gz QUUUFXRGEGPKON-MRXNPFEDSA-N 2 0 334.420 1.723 20 5 EDBDRP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423179286 252043527 /nfs/dbraw/zinc/04/35/27/252043527.db2.gz LQMZMZSEYGIMJM-AWEZNQCLSA-N 2 0 336.436 1.939 20 5 EDBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347127179 143285543 /nfs/dbraw/zinc/28/55/43/143285543.db2.gz YRGDAVYWEKOQJC-VFQAQYNWSA-N 2 0 332.404 1.395 20 5 EDBDRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000365667656 162362871 /nfs/dbraw/zinc/36/28/71/162362871.db2.gz RGXZEFQMYPWYDT-AWEZNQCLSA-N 2 0 343.387 1.807 20 5 EDBDRP Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275831981 268375766 /nfs/dbraw/zinc/37/57/66/268375766.db2.gz OMBSSQRDRNMQMI-CYBMUJFWSA-N 2 0 330.388 1.954 20 5 EDBDRP C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+] ZINC000430957612 305070708 /nfs/dbraw/zinc/07/07/08/305070708.db2.gz TUYZXOZIWQLZJX-DGCLKSJQSA-N 2 0 334.376 1.562 20 5 EDBDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292866283 443864622 /nfs/dbraw/zinc/86/46/22/443864622.db2.gz CTFWYVMKHKHKFZ-QGZVFWFLSA-N 2 0 332.404 1.611 20 5 EDBDRP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420328881 446497325 /nfs/dbraw/zinc/49/73/25/446497325.db2.gz NGZGSZKOIBFTHJ-AWEZNQCLSA-N 2 0 335.404 1.661 20 5 EDBDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368986 446548893 /nfs/dbraw/zinc/54/88/93/446548893.db2.gz BBQAXPWKKCGRKJ-OAHLLOKOSA-N 2 0 346.391 1.361 20 5 EDBDRP C[NH2+]CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420369413 446549545 /nfs/dbraw/zinc/54/95/45/446549545.db2.gz IXVWDMPDCHKNCF-UHFFFAOYSA-N 2 0 332.408 1.593 20 5 EDBDRP Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000523305520 447877375 /nfs/dbraw/zinc/87/73/75/447877375.db2.gz OWUPOKSNAFJKRK-UHFFFAOYSA-N 2 0 349.435 1.222 20 5 EDBDRP Cc1ccc([C@@H](C)NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000516856713 448483499 /nfs/dbraw/zinc/48/34/99/448483499.db2.gz BBKOYLAVQVUAGQ-OCCSQVGLSA-N 2 0 335.408 1.249 20 5 EDBDRP COc1c(O)ccc(C[NH2+]CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000893324255 590779426 /nfs/dbraw/zinc/77/94/26/590779426.db2.gz QRMNSKORRSXMGN-UHFFFAOYSA-N 2 0 338.408 1.036 20 5 EDBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819060850 593736536 /nfs/dbraw/zinc/73/65/36/593736536.db2.gz IPURXIRYNGBRQR-MRXNPFEDSA-N 2 0 336.436 1.244 20 5 EDBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000436064290 305151977 /nfs/dbraw/zinc/15/19/77/305151977.db2.gz MRUQWUZAMIPYOP-MRXNPFEDSA-N 2 0 334.420 1.457 20 5 EDBDRP COc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193610689 442759389 /nfs/dbraw/zinc/75/93/89/442759389.db2.gz XNOIMUPKAASJTM-BETUJISGSA-N 2 0 348.403 1.425 20 5 EDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337579686 445148865 /nfs/dbraw/zinc/14/88/65/445148865.db2.gz MOGLYAIVOCTGKS-CYBMUJFWSA-N 2 0 337.424 1.411 20 5 EDBDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385524 446560428 /nfs/dbraw/zinc/56/04/28/446560428.db2.gz SYSFLFMLASXWAD-MRXNPFEDSA-N 2 0 330.392 1.525 20 5 EDBDRP CC1(C)CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000576540547 448080189 /nfs/dbraw/zinc/08/01/89/448080189.db2.gz NLJHOJXQPCCONL-ZDUSSCGKSA-N 2 0 325.413 1.051 20 5 EDBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000578950050 448674080 /nfs/dbraw/zinc/67/40/80/448674080.db2.gz QCJNQOXNRQVISS-IJEWVQPXSA-N 2 0 339.440 1.110 20 5 EDBDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000903491849 592184887 /nfs/dbraw/zinc/18/48/87/592184887.db2.gz CZYSGNSQDCNTTR-VBQJREDUSA-N 2 0 333.388 1.616 20 5 EDBDRP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903757185 592314698 /nfs/dbraw/zinc/31/46/98/592314698.db2.gz ZHSHTXUTFVTWRI-GDBMZVCRSA-N 2 0 335.408 1.197 20 5 EDBDRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877085269 597428308 /nfs/dbraw/zinc/42/83/08/597428308.db2.gz MLIHUIOPXNIOAE-UHFFFAOYSA-N 2 0 337.424 1.320 20 5 EDBDRP O=C([C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000430653186 305061491 /nfs/dbraw/zinc/06/14/91/305061491.db2.gz OGWCVYQUVYGYJG-INIZCTEOSA-N 2 0 346.431 1.281 20 5 EDBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341802 446513154 /nfs/dbraw/zinc/51/31/54/446513154.db2.gz QHCFJODAGLGRCS-OKILXGFUSA-N 2 0 332.404 1.773 20 5 EDBDRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576749631 448131407 /nfs/dbraw/zinc/13/14/07/448131407.db2.gz UWXINIFFIFTWAY-CABCVRRESA-N 2 0 337.420 1.656 20 5 EDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737347 449171864 /nfs/dbraw/zinc/17/18/64/449171864.db2.gz YANGWWQNKCUIGW-IUODEOHRSA-N 2 0 336.392 1.219 20 5 EDBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000593735017 449169471 /nfs/dbraw/zinc/16/94/71/449169471.db2.gz UJYWTPDGNVPETL-GUYCJALGSA-N 2 0 332.404 1.984 20 5 EDBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)cn1 ZINC000602529877 449653194 /nfs/dbraw/zinc/65/31/94/449653194.db2.gz VZWAOHOZRXOJKB-MRXNPFEDSA-N 2 0 349.435 1.005 20 5 EDBDRP Cc1ccnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905701180 592614978 /nfs/dbraw/zinc/61/49/78/592614978.db2.gz WFSRUZFKFDUNOY-GASCZTMLSA-N 2 0 331.420 1.703 20 5 EDBDRP Nc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000905703027 592616484 /nfs/dbraw/zinc/61/64/84/592616484.db2.gz JYCPPKPZTGWSJA-GASCZTMLSA-N 2 0 331.420 1.582 20 5 EDBDRP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC([NH3+])CC1 ZINC000843354701 595085757 /nfs/dbraw/zinc/08/57/57/595085757.db2.gz CXIOQNJFGJZLJI-UHFFFAOYSA-N 2 0 332.404 1.686 20 5 EDBDRP C[NH+](C)C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866012777 596758017 /nfs/dbraw/zinc/75/80/17/596758017.db2.gz QGILCXAWFXOYLE-ZIAGYGMSSA-N 2 0 346.435 1.418 20 5 EDBDRP COCCC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876996693 597407284 /nfs/dbraw/zinc/40/72/84/597407284.db2.gz ZUTDEOIUJCWSHB-UHFFFAOYSA-N 2 0 337.424 1.585 20 5 EDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)C2)c1 ZINC000877040172 597419727 /nfs/dbraw/zinc/41/97/27/597419727.db2.gz AOZVUDQEWKIYDX-SLTAFYQDSA-N 2 0 337.424 1.321 20 5 EDBDRP O=C(Cn1ccnc1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004258568 704087082 /nfs/dbraw/zinc/08/70/82/704087082.db2.gz UDGZECJEVLEQJQ-UHFFFAOYSA-N 2 0 343.387 1.572 20 5 EDBDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000246296876 139103074 /nfs/dbraw/zinc/10/30/74/139103074.db2.gz PJQBVGRRZQOHBH-ZWKOTPCHSA-N 2 0 348.447 1.340 20 5 EDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246576830 139113605 /nfs/dbraw/zinc/11/36/05/139113605.db2.gz LRBPKWQQDWQFRV-XYPHTWIQSA-N 2 0 349.435 1.101 20 5 EDBDRP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000573137996 306613045 /nfs/dbraw/zinc/61/30/45/306613045.db2.gz CFXGBFWXHZWMHT-JSGCOSHPSA-N 2 0 341.371 1.200 20 5 EDBDRP C[N@@H+]1CC[C@@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264921 289301603 /nfs/dbraw/zinc/30/16/03/289301603.db2.gz ZBBSGHLNYYKIIF-DOTOQJQBSA-N 2 0 335.404 1.362 20 5 EDBDRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000433129745 305101271 /nfs/dbraw/zinc/10/12/71/305101271.db2.gz FGTWTSJWFAVDRR-CYBMUJFWSA-N 2 0 334.420 1.975 20 5 EDBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435620303 305143685 /nfs/dbraw/zinc/14/36/85/305143685.db2.gz AYLAEYHMZUQSBU-CYBMUJFWSA-N 2 0 348.403 1.967 20 5 EDBDRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420328882 446497884 /nfs/dbraw/zinc/49/78/84/446497884.db2.gz NGZGSZKOIBFTHJ-CQSZACIVSA-N 2 0 335.404 1.661 20 5 EDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392004 448250875 /nfs/dbraw/zinc/25/08/75/448250875.db2.gz VPTWJPFPFTYOKK-HNNXBMFYSA-N 2 0 349.435 1.478 20 5 EDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493532 448862155 /nfs/dbraw/zinc/86/21/55/448862155.db2.gz UKNJUMVAABFSBL-HUUCEWRRSA-N 2 0 346.431 1.905 20 5 EDBDRP