smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336881345 444829398 /nfs/dbraw/zinc/82/93/98/444829398.db2.gz TVOLZBDSFHOQIY-UHFFFAOYSA-N 1 3 329.404 1.581 20 5 EDBDHO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C[NH3+] ZINC000843354929 595085517 /nfs/dbraw/zinc/08/55/17/595085517.db2.gz MBUSZKBKLOGOQK-UHFFFAOYSA-N 1 3 326.372 1.979 20 5 EDBDHO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)CN ZINC000843354929 595085520 /nfs/dbraw/zinc/08/55/20/595085520.db2.gz MBUSZKBKLOGOQK-UHFFFAOYSA-N 1 3 326.372 1.979 20 5 EDBDHO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)CN ZINC000843354929 595085523 /nfs/dbraw/zinc/08/55/23/595085523.db2.gz MBUSZKBKLOGOQK-UHFFFAOYSA-N 1 3 326.372 1.979 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863739 445347033 /nfs/dbraw/zinc/34/70/33/445347033.db2.gz UUFQZSMHOGMAHN-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600682835 449489838 /nfs/dbraw/zinc/48/98/38/449489838.db2.gz QMLPNUWEFRBNCZ-CJNGLKHVSA-N 1 3 344.419 1.832 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000903492268 592184917 /nfs/dbraw/zinc/18/49/17/592184917.db2.gz KWHFKVCXDICGFM-JRATXPSKSA-N 1 3 333.388 1.868 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000903493375 592185716 /nfs/dbraw/zinc/18/57/16/592185716.db2.gz WJECKNXVFDKIMU-DPYKFYPSSA-N 1 3 333.388 1.868 20 5 EDBDHO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCO2 ZINC000592433591 448835843 /nfs/dbraw/zinc/83/58/43/448835843.db2.gz IUWWEKWSEWVKMZ-BETUJISGSA-N 1 3 333.388 1.797 20 5 EDBDHO C[NH+](C)C1CCN(CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819135414 593740851 /nfs/dbraw/zinc/74/08/51/593740851.db2.gz WJUVZESQKJVUPO-KRWDZBQOSA-N 1 3 336.436 1.244 20 5 EDBDHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000819287663 593748450 /nfs/dbraw/zinc/74/84/50/593748450.db2.gz QKOLGXUPSFZQAJ-MRXNPFEDSA-N 1 3 336.436 1.244 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000420265102 446437765 /nfs/dbraw/zinc/43/77/65/446437765.db2.gz BCGODPVXNXEYAA-UHFFFAOYSA-N 1 3 336.392 1.616 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000420265102 446437771 /nfs/dbraw/zinc/43/77/71/446437771.db2.gz BCGODPVXNXEYAA-UHFFFAOYSA-N 1 3 336.392 1.616 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000420265102 446437777 /nfs/dbraw/zinc/43/77/77/446437777.db2.gz BCGODPVXNXEYAA-UHFFFAOYSA-N 1 3 336.392 1.616 20 5 EDBDHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575117104 449039572 /nfs/dbraw/zinc/03/95/72/449039572.db2.gz ZWLDGCPQBMYZQZ-CYBMUJFWSA-N 1 3 332.404 1.997 20 5 EDBDHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575117104 449039574 /nfs/dbraw/zinc/03/95/74/449039574.db2.gz ZWLDGCPQBMYZQZ-CYBMUJFWSA-N 1 3 332.404 1.997 20 5 EDBDHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575117104 449039578 /nfs/dbraw/zinc/03/95/78/449039578.db2.gz ZWLDGCPQBMYZQZ-CYBMUJFWSA-N 1 3 332.404 1.997 20 5 EDBDHO CN1CCN(CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276591 580413674 /nfs/dbraw/zinc/41/36/74/580413674.db2.gz KTZHUXDDZSRUFR-QGZVFWFLSA-N 1 3 336.436 1.245 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287992 292294958 /nfs/dbraw/zinc/29/49/58/292294958.db2.gz GWUHUPYVYDDVKQ-KGLIPLIRSA-N 1 3 334.420 1.751 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430552920 274118684 /nfs/dbraw/zinc/11/86/84/274118684.db2.gz OCDVSRPBOFXZSP-INIZCTEOSA-N 1 3 336.392 1.649 20 5 EDBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC[NH2+]CC3)o2)cc1 ZINC000414870400 447335736 /nfs/dbraw/zinc/33/57/36/447335736.db2.gz SMNJMNPWWFTJLI-UHFFFAOYSA-N 1 3 330.388 1.850 20 5 EDBDHO CN1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543750 305281914 /nfs/dbraw/zinc/28/19/14/305281914.db2.gz SCCWXCIQZVLIDC-ZIAGYGMSSA-N 1 3 337.424 1.321 20 5 EDBDHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568741387 321304156 /nfs/dbraw/zinc/30/41/56/321304156.db2.gz SMRGJCPGYOHBSN-QGZVFWFLSA-N 1 3 347.419 1.394 20 5 EDBDHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568741387 321304158 /nfs/dbraw/zinc/30/41/58/321304158.db2.gz SMRGJCPGYOHBSN-QGZVFWFLSA-N 1 3 347.419 1.394 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351487860 446090421 /nfs/dbraw/zinc/09/04/21/446090421.db2.gz CYBDKBNGQVSZJE-UBHSHLNASA-N 1 3 348.403 1.601 20 5 EDBDHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000576749633 448131496 /nfs/dbraw/zinc/13/14/96/448131496.db2.gz UWXINIFFIFTWAY-GJZGRUSLSA-N 1 3 337.420 1.656 20 5 EDBDHO O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510841 592190524 /nfs/dbraw/zinc/19/05/24/592190524.db2.gz LVXAVJDXVIZBIB-CALCHBBNSA-N 1 3 330.432 1.995 20 5 EDBDHO O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510841 592190525 /nfs/dbraw/zinc/19/05/25/592190525.db2.gz LVXAVJDXVIZBIB-CALCHBBNSA-N 1 3 330.432 1.995 20 5 EDBDHO O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510841 592190526 /nfs/dbraw/zinc/19/05/26/592190526.db2.gz LVXAVJDXVIZBIB-CALCHBBNSA-N 1 3 330.432 1.995 20 5 EDBDHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264924 289301726 /nfs/dbraw/zinc/30/17/26/289301726.db2.gz ZBBSGHLNYYKIIF-NVXWUHKLSA-N 1 3 335.404 1.362 20 5 EDBDHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264924 289301728 /nfs/dbraw/zinc/30/17/28/289301728.db2.gz ZBBSGHLNYYKIIF-NVXWUHKLSA-N 1 3 335.404 1.362 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133637247 442427710 /nfs/dbraw/zinc/42/77/10/442427710.db2.gz WNJNBJVUVAOLFT-UHFFFAOYSA-N 1 3 337.424 1.860 20 5 EDBDHO NC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420344947 446516658 /nfs/dbraw/zinc/51/66/58/446516658.db2.gz VCIAWEHIMLGZKJ-UONOGXRCSA-N 1 3 332.404 1.515 20 5 EDBDHO C[NH2+]CCCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000596101380 449362141 /nfs/dbraw/zinc/36/21/41/449362141.db2.gz GLBXJYXKXLBUJO-UHFFFAOYSA-N 1 3 340.449 1.737 20 5 EDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000819172358 593742667 /nfs/dbraw/zinc/74/26/67/593742667.db2.gz DKAFZWRPQDOOJG-FGTMMUONSA-N 1 3 349.431 1.596 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442770544 446961578 /nfs/dbraw/zinc/96/15/78/446961578.db2.gz XWALPVJMZZSUFS-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000581602793 322197528 /nfs/dbraw/zinc/19/75/28/322197528.db2.gz QOUYLDLUAORYMP-MRXNPFEDSA-N 1 3 335.404 1.551 20 5 EDBDHO NCc1cn([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385522 446561276 /nfs/dbraw/zinc/56/12/76/446561276.db2.gz SYSFLFMLASXWAD-INIZCTEOSA-N 1 3 330.392 1.525 20 5 EDBDHO NCc1cn([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385522 446561280 /nfs/dbraw/zinc/56/12/80/446561280.db2.gz SYSFLFMLASXWAD-INIZCTEOSA-N 1 3 330.392 1.525 20 5 EDBDHO CN(CCOCC[NH3+])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600778306 449544807 /nfs/dbraw/zinc/54/48/07/449544807.db2.gz XYVJZHPVKKNJFO-UHFFFAOYSA-N 1 3 333.392 1.402 20 5 EDBDHO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000755253428 579923685 /nfs/dbraw/zinc/92/36/85/579923685.db2.gz TUXZLSXDBJASKU-CCEZHUSRSA-N 1 3 348.447 1.950 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734851 591264601 /nfs/dbraw/zinc/26/46/01/591264601.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895734851 591264603 /nfs/dbraw/zinc/26/46/03/591264603.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[N@H+](C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734851 591264605 /nfs/dbraw/zinc/26/46/05/591264605.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[N@@H+](C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734851 591264607 /nfs/dbraw/zinc/26/46/07/591264607.db2.gz ANXPXQDUKQATTI-MPZDIEGVSA-N 1 3 349.439 1.394 20 5 EDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420344946 446517617 /nfs/dbraw/zinc/51/76/17/446517617.db2.gz VCIAWEHIMLGZKJ-KGLIPLIRSA-N 1 3 332.404 1.515 20 5 EDBDHO [NH3+]CC1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423040705 447796278 /nfs/dbraw/zinc/79/62/78/447796278.db2.gz UVFLETKFFYMBJT-UHFFFAOYSA-N 1 3 341.433 1.476 20 5 EDBDHO Cc1sc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942942 449152842 /nfs/dbraw/zinc/15/28/42/449152842.db2.gz QMOPOUWTQVALHU-NSHDSACASA-N 1 3 342.465 1.967 20 5 EDBDHO Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942942 449152844 /nfs/dbraw/zinc/15/28/44/449152844.db2.gz QMOPOUWTQVALHU-NSHDSACASA-N 1 3 342.465 1.967 20 5 EDBDHO C[NH+](C)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000341182915 444714599 /nfs/dbraw/zinc/71/45/99/444714599.db2.gz HCMKEJVDNTWIAD-MRXNPFEDSA-N 1 3 337.420 1.608 20 5 EDBDHO COc1ccc(NC(=O)CCN[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000420287667 446453333 /nfs/dbraw/zinc/45/33/33/446453333.db2.gz IILPCKUGHHHIBV-MRXNPFEDSA-N 1 3 336.392 1.649 20 5 EDBDHO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)nc1NCCN1CCCC1 ZINC000434080019 446620125 /nfs/dbraw/zinc/62/01/25/446620125.db2.gz GXDXWLIMBOGDPC-UHFFFAOYSA-N 1 3 348.451 2.005 20 5 EDBDHO CN1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000819286053 593748492 /nfs/dbraw/zinc/74/84/92/593748492.db2.gz DUUMDCVVJONAJK-INIZCTEOSA-N 1 3 336.436 1.244 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430621284 305059503 /nfs/dbraw/zinc/05/95/03/305059503.db2.gz CTDPIZFCPUJYFY-LBPRGKRZSA-N 1 3 336.392 1.603 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420315299 446479855 /nfs/dbraw/zinc/47/98/55/446479855.db2.gz LNVOSTPLOASCGF-MRXNPFEDSA-N 1 3 338.408 1.895 20 5 EDBDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559067 593642776 /nfs/dbraw/zinc/64/27/76/593642776.db2.gz WOLDVXRRXVTAAM-AWEZNQCLSA-N 1 3 335.452 1.855 20 5 EDBDHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997308073 703566388 /nfs/dbraw/zinc/56/63/88/703566388.db2.gz ZCKHTJGDLMDYMZ-UHFFFAOYSA-N 1 3 346.431 1.771 20 5 EDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134194 305307398 /nfs/dbraw/zinc/30/73/98/305307398.db2.gz HJLNMXJECCAAQE-HOCLYGCPSA-N 1 3 348.447 1.703 20 5 EDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134194 305307399 /nfs/dbraw/zinc/30/73/99/305307399.db2.gz HJLNMXJECCAAQE-HOCLYGCPSA-N 1 3 348.447 1.703 20 5 EDBDHO Cc1sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104533173 441197044 /nfs/dbraw/zinc/19/70/44/441197044.db2.gz SYCDDQIEVHDDBN-UHFFFAOYSA-N 1 3 328.438 1.530 20 5 EDBDHO CNc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000531118908 448023250 /nfs/dbraw/zinc/02/32/50/448023250.db2.gz IMHDQVCAKPFEJB-UHFFFAOYSA-N 1 3 337.424 1.202 20 5 EDBDHO COC(=O)COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281645 448304798 /nfs/dbraw/zinc/30/47/98/448304798.db2.gz HQUUAECNPKCDSM-OAHLLOKOSA-N 1 3 349.387 1.378 20 5 EDBDHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171122 448650389 /nfs/dbraw/zinc/65/03/89/448650389.db2.gz QZBNNOBAVMXLEH-GDBMZVCRSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171122 448650390 /nfs/dbraw/zinc/65/03/90/448650390.db2.gz QZBNNOBAVMXLEH-GDBMZVCRSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171122 448650391 /nfs/dbraw/zinc/65/03/91/448650391.db2.gz QZBNNOBAVMXLEH-GDBMZVCRSA-N 1 3 339.440 1.110 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000592472312 448852073 /nfs/dbraw/zinc/85/20/73/448852073.db2.gz XEAXNLQYQIOBGS-UHFFFAOYSA-N 1 3 349.435 1.069 20 5 EDBDHO NC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493531 448861928 /nfs/dbraw/zinc/86/19/28/448861928.db2.gz UKNJUMVAABFSBL-GJZGRUSLSA-N 1 3 346.431 1.905 20 5 EDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000597941938 449152830 /nfs/dbraw/zinc/15/28/30/449152830.db2.gz HINILIFLPUWASF-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000597941938 449152832 /nfs/dbraw/zinc/15/28/32/449152832.db2.gz HINILIFLPUWASF-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO C[NH+]1CCC2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000602878844 449886943 /nfs/dbraw/zinc/88/69/43/449886943.db2.gz ZHUXXIZPDOGFGC-UHFFFAOYSA-N 1 3 332.404 1.611 20 5 EDBDHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055765 593736252 /nfs/dbraw/zinc/73/62/52/593736252.db2.gz YRIMAHUDKZPEKB-QAPCUYQASA-N 1 3 348.447 1.386 20 5 EDBDHO CN1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000414483074 304118595 /nfs/dbraw/zinc/11/85/95/304118595.db2.gz MIPPXEFHEKZHQY-UHFFFAOYSA-N 1 3 348.447 1.481 20 5 EDBDHO Cc1c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000195519284 139019358 /nfs/dbraw/zinc/01/93/58/139019358.db2.gz YRDMKTWTNYGBSQ-UHFFFAOYSA-N 1 3 348.447 1.793 20 5 EDBDHO [NH3+][C@@H]1CCCC[C@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000424329528 252195951 /nfs/dbraw/zinc/19/59/51/252195951.db2.gz GTPFGPRDRCMLRI-CHWSQXEVSA-N 1 3 334.376 1.752 20 5 EDBDHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128639542 442279603 /nfs/dbraw/zinc/27/96/03/442279603.db2.gz CKHWEKBEHSYDNR-GFCCVEGCSA-N 1 3 338.383 1.946 20 5 EDBDHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128639542 442279605 /nfs/dbraw/zinc/27/96/05/442279605.db2.gz CKHWEKBEHSYDNR-GFCCVEGCSA-N 1 3 338.383 1.946 20 5 EDBDHO COc1ccc(NC(=O)CCN[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000420301783 446464467 /nfs/dbraw/zinc/46/44/67/446464467.db2.gz JEGLJFQLIKSLKK-MRXNPFEDSA-N 1 3 338.408 1.895 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442770542 446961298 /nfs/dbraw/zinc/96/12/98/446961298.db2.gz XWALPVJMZZSUFS-NEPJUHHUSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594663 580725386 /nfs/dbraw/zinc/72/53/86/580725386.db2.gz OJMAFTYJEWAOJX-JSGCOSHPSA-N 1 3 349.435 1.415 20 5 EDBDHO CC(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044829 590632622 /nfs/dbraw/zinc/63/26/22/590632622.db2.gz OMCCTLGALAXQPV-UWWQBHOKSA-N 1 3 348.399 1.734 20 5 EDBDHO CC(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044829 590632627 /nfs/dbraw/zinc/63/26/27/590632627.db2.gz OMCCTLGALAXQPV-UWWQBHOKSA-N 1 3 348.399 1.734 20 5 EDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175294 593742859 /nfs/dbraw/zinc/74/28/59/593742859.db2.gz WDEZQQIDWFZCNS-KZNAEPCWSA-N 1 3 349.431 1.596 20 5 EDBDHO C[NH2+]CC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430935773 305069182 /nfs/dbraw/zinc/06/91/82/305069182.db2.gz RITOFWPLAUCZEI-UHFFFAOYSA-N 1 3 348.403 1.824 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479525 446080188 /nfs/dbraw/zinc/08/01/88/446080188.db2.gz RKPBSTSPKBMXEL-IACUBPJLSA-N 1 3 348.403 1.601 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486457 446086705 /nfs/dbraw/zinc/08/67/05/446086705.db2.gz AWKPJQCZAQVSFS-AEGPPILISA-N 1 3 332.404 1.901 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000578324920 448516012 /nfs/dbraw/zinc/51/60/12/448516012.db2.gz NRFIZOKHMLJLCY-DLBZAZTESA-N 1 3 348.447 1.650 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864937 445347604 /nfs/dbraw/zinc/34/76/04/445347604.db2.gz ZWLMCNKOKQVONM-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596449251 449507807 /nfs/dbraw/zinc/50/78/07/449507807.db2.gz AIXABFYEYDMJEN-ZDUSSCGKSA-N 1 3 337.424 1.988 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596449251 449507814 /nfs/dbraw/zinc/50/78/14/449507814.db2.gz AIXABFYEYDMJEN-ZDUSSCGKSA-N 1 3 337.424 1.988 20 5 EDBDHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055764 593736173 /nfs/dbraw/zinc/73/61/73/593736173.db2.gz YRIMAHUDKZPEKB-MAUKXSAKSA-N 1 3 348.447 1.386 20 5 EDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000819175296 593742752 /nfs/dbraw/zinc/74/27/52/593742752.db2.gz WDEZQQIDWFZCNS-RCCFBDPRSA-N 1 3 349.431 1.596 20 5 EDBDHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000269075061 161547688 /nfs/dbraw/zinc/54/76/88/161547688.db2.gz YGADXSNZFCUGIT-MRXNPFEDSA-N 1 3 333.432 1.962 20 5 EDBDHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543747 305281951 /nfs/dbraw/zinc/28/19/51/305281951.db2.gz SCCWXCIQZVLIDC-KBPBESRZSA-N 1 3 337.424 1.321 20 5 EDBDHO O=[N+]([O-])c1cnn(CCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174883683 441978012 /nfs/dbraw/zinc/97/80/12/441978012.db2.gz VZWSASZFKCEJPR-UHFFFAOYSA-N 1 3 337.424 1.368 20 5 EDBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000442788620 446967863 /nfs/dbraw/zinc/96/78/63/446967863.db2.gz YCHQSWRAZNJVHK-VXGBXAGGSA-N 1 3 334.376 1.562 20 5 EDBDHO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CCN(C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735763 591264786 /nfs/dbraw/zinc/26/47/86/591264786.db2.gz GZDVLTWHJWMCNR-RQJABVFESA-N 1 3 348.451 1.999 20 5 EDBDHO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CCN(C)[C@H]3C)n2)CC[N@H+]1C ZINC000895735763 591264789 /nfs/dbraw/zinc/26/47/89/591264789.db2.gz GZDVLTWHJWMCNR-RQJABVFESA-N 1 3 348.451 1.999 20 5 EDBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2CC[NH2+]CC2)o1 ZINC000414867546 250871284 /nfs/dbraw/zinc/87/12/84/250871284.db2.gz OONQGKICYBEGKU-UHFFFAOYSA-N 1 3 330.388 1.850 20 5 EDBDHO COc1ccc(NC(=O)CCN[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000420287664 274113738 /nfs/dbraw/zinc/11/37/38/274113738.db2.gz IILPCKUGHHHIBV-INIZCTEOSA-N 1 3 336.392 1.649 20 5 EDBDHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420364286 446544523 /nfs/dbraw/zinc/54/45/23/446544523.db2.gz KCXOBWKLCUOMGL-WQGACYEGSA-N 1 3 348.403 1.869 20 5 EDBDHO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000576749635 448132059 /nfs/dbraw/zinc/13/20/59/448132059.db2.gz UWXINIFFIFTWAY-HUUCEWRRSA-N 1 3 337.420 1.656 20 5 EDBDHO COc1ccc(NC(=O)CCN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261678338 536760723 /nfs/dbraw/zinc/76/07/23/536760723.db2.gz JTSMRHFRAOHMDO-INIZCTEOSA-N 1 3 336.392 1.603 20 5 EDBDHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594665 580725401 /nfs/dbraw/zinc/72/54/01/580725401.db2.gz OJMAFTYJEWAOJX-OCCSQVGLSA-N 1 3 349.435 1.415 20 5 EDBDHO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CC[NH3+] ZINC000903497458 592188345 /nfs/dbraw/zinc/18/83/45/592188345.db2.gz XWTIZTOMRGSNLD-IOASZLSFSA-N 1 3 332.404 1.617 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374242 139106024 /nfs/dbraw/zinc/10/60/24/139106024.db2.gz JPSSONWIEBQCIJ-HOCLYGCPSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374242 139106025 /nfs/dbraw/zinc/10/60/25/139106025.db2.gz JPSSONWIEBQCIJ-HOCLYGCPSA-N 1 3 339.440 1.518 20 5 EDBDHO Cc1c(CC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000120872523 287365387 /nfs/dbraw/zinc/36/53/87/287365387.db2.gz PBFZWQHAYWUYFL-UHFFFAOYSA-N 1 3 336.436 1.398 20 5 EDBDHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156231 442248817 /nfs/dbraw/zinc/24/88/17/442248817.db2.gz DIPHMLFBSCHYCZ-HIFRSBDPSA-N 1 3 334.420 1.833 20 5 EDBDHO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCN(CC)CC1 ZINC000344123052 444793168 /nfs/dbraw/zinc/79/31/68/444793168.db2.gz GJIYUMOZQFAYIM-UHFFFAOYSA-N 1 3 338.456 1.141 20 5 EDBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757517 448705346 /nfs/dbraw/zinc/70/53/46/448705346.db2.gz DLRJNMIEXDBEIF-RBSFLKMASA-N 1 3 337.420 1.797 20 5 EDBDHO Cn1cc(C[NH2+]CC2(N)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600777470 449543067 /nfs/dbraw/zinc/54/30/67/449543067.db2.gz UNALDIQFDUTLRQ-UHFFFAOYSA-N 1 3 345.403 1.593 20 5 EDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000819083795 593737910 /nfs/dbraw/zinc/73/79/10/593737910.db2.gz FXUGBPXRWAUCIP-KBXCAEBGSA-N 1 3 349.431 1.719 20 5 EDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000819172359 593742614 /nfs/dbraw/zinc/74/26/14/593742614.db2.gz DKAFZWRPQDOOJG-KZNAEPCWSA-N 1 3 349.431 1.596 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261611503 139210953 /nfs/dbraw/zinc/21/09/53/139210953.db2.gz BJAHTQKXMRKOFX-MRXNPFEDSA-N 1 3 336.392 1.603 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261611503 139210954 /nfs/dbraw/zinc/21/09/54/139210954.db2.gz BJAHTQKXMRKOFX-MRXNPFEDSA-N 1 3 336.392 1.603 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261611503 139210955 /nfs/dbraw/zinc/21/09/55/139210955.db2.gz BJAHTQKXMRKOFX-MRXNPFEDSA-N 1 3 336.392 1.603 20 5 EDBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293790040 303019398 /nfs/dbraw/zinc/01/93/98/303019398.db2.gz QOFAANGIYRMQRZ-AWEZNQCLSA-N 1 3 335.452 1.855 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000531357846 320656723 /nfs/dbraw/zinc/65/67/23/320656723.db2.gz PVKPTAMEBWQRFA-UHFFFAOYSA-N 1 3 348.403 1.906 20 5 EDBDHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000593737662 449172075 /nfs/dbraw/zinc/17/20/75/449172075.db2.gz SJNJWKLGKVXWGS-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000593737662 449172083 /nfs/dbraw/zinc/17/20/83/449172083.db2.gz SJNJWKLGKVXWGS-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000593737662 449172091 /nfs/dbraw/zinc/17/20/91/449172091.db2.gz SJNJWKLGKVXWGS-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264928 289301562 /nfs/dbraw/zinc/30/15/62/289301562.db2.gz ZBBSGHLNYYKIIF-WBVHZDCISA-N 1 3 335.404 1.362 20 5 EDBDHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264928 289301564 /nfs/dbraw/zinc/30/15/64/289301564.db2.gz ZBBSGHLNYYKIIF-WBVHZDCISA-N 1 3 335.404 1.362 20 5 EDBDHO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000567492539 448701365 /nfs/dbraw/zinc/70/13/65/448701365.db2.gz FCKJQJSIBUUICM-GOEBONIOSA-N 1 3 337.420 1.656 20 5 EDBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815560084 593642726 /nfs/dbraw/zinc/64/27/26/593642726.db2.gz XRQKKVZBQIFRQJ-KGLIPLIRSA-N 1 3 335.452 1.854 20 5 EDBDHO O=[N+]([O-])c1ccn(CCN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000176287565 442205123 /nfs/dbraw/zinc/20/51/23/442205123.db2.gz COEAMJWSGNWAGP-UHFFFAOYSA-N 1 3 337.424 1.368 20 5 EDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12 ZINC000351474174 446074798 /nfs/dbraw/zinc/07/47/98/446074798.db2.gz FUMQIQWUAJRBIR-FPMFFAJLSA-N 1 3 346.387 1.562 20 5 EDBDHO [NH3+]Cc1cn([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368985 446549679 /nfs/dbraw/zinc/54/96/79/446549679.db2.gz BBQAXPWKKCGRKJ-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368985 446549683 /nfs/dbraw/zinc/54/96/83/446549683.db2.gz BBQAXPWKKCGRKJ-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368985 446549687 /nfs/dbraw/zinc/54/96/87/446549687.db2.gz BBQAXPWKKCGRKJ-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO NC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493533 448862210 /nfs/dbraw/zinc/86/22/10/448862210.db2.gz UKNJUMVAABFSBL-LSDHHAIUSA-N 1 3 346.431 1.905 20 5 EDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903741394 592302973 /nfs/dbraw/zinc/30/29/73/592302973.db2.gz PIIVMDOFDICDQB-UKPHBRMFSA-N 1 3 347.419 1.245 20 5 EDBDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819391373 593753154 /nfs/dbraw/zinc/75/31/54/593753154.db2.gz YNOODKVIWLBTIK-QGZVFWFLSA-N 1 3 336.436 1.244 20 5 EDBDHO CN(C)CCC[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865938050 596730198 /nfs/dbraw/zinc/73/01/98/596730198.db2.gz BAOSQZRCAMOTNE-UHFFFAOYSA-N 1 3 328.388 1.522 20 5 EDBDHO CN(C)CCC[N@@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865938050 596730199 /nfs/dbraw/zinc/73/01/99/596730199.db2.gz BAOSQZRCAMOTNE-UHFFFAOYSA-N 1 3 328.388 1.522 20 5 EDBDHO CN1CCN(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000879591038 597648489 /nfs/dbraw/zinc/64/84/89/597648489.db2.gz IBPWQULSAZSGDN-UHFFFAOYSA-N 1 3 348.447 1.685 20 5 EDBDHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000574270306 448831434 /nfs/dbraw/zinc/83/14/34/448831434.db2.gz ATVDDCDUKCGDSC-INIZCTEOSA-N 1 3 333.392 1.004 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597942266 449152207 /nfs/dbraw/zinc/15/22/07/449152207.db2.gz JQQUHQMDKPVFEO-AWEZNQCLSA-N 1 3 336.436 1.526 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597942266 449152209 /nfs/dbraw/zinc/15/22/09/449152209.db2.gz JQQUHQMDKPVFEO-AWEZNQCLSA-N 1 3 336.436 1.526 20 5 EDBDHO C[NH2+]CCCC(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000596110838 449366971 /nfs/dbraw/zinc/36/69/71/449366971.db2.gz UWSKREXBNGFIIM-UHFFFAOYSA-N 1 3 334.420 1.675 20 5 EDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600682831 449489083 /nfs/dbraw/zinc/48/90/83/449489083.db2.gz QMLPNUWEFRBNCZ-BBRMVZONSA-N 1 3 344.419 1.832 20 5 EDBDHO COc1ccc(NC(=O)CCN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261678343 536761782 /nfs/dbraw/zinc/76/17/82/536761782.db2.gz JTSMRHFRAOHMDO-MRXNPFEDSA-N 1 3 336.392 1.603 20 5 EDBDHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000819052716 593735952 /nfs/dbraw/zinc/73/59/52/593735952.db2.gz CHIISMFPYDKKBM-MAUKXSAKSA-N 1 3 348.447 1.386 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543692637 306066765 /nfs/dbraw/zinc/06/67/65/306066765.db2.gz POZBHASWSIXIIG-UHFFFAOYSA-N 1 3 341.387 1.691 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351487859 446090129 /nfs/dbraw/zinc/09/01/29/446090129.db2.gz CYBDKBNGQVSZJE-IACUBPJLSA-N 1 3 348.403 1.601 20 5 EDBDHO C[C@H]1C[C@H](C[NH3+])CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000442788617 446967914 /nfs/dbraw/zinc/96/79/14/446967914.db2.gz YCHQSWRAZNJVHK-NWDGAFQWSA-N 1 3 334.376 1.562 20 5 EDBDHO Cc1c(NC(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000351474634 446075035 /nfs/dbraw/zinc/07/50/35/446075035.db2.gz GNHBLBYOCGFKST-IHRRRGAJSA-N 1 3 332.404 1.901 20 5 EDBDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ccc2[N+](=O)[O-])CCN1C ZINC000895735761 591264559 /nfs/dbraw/zinc/26/45/59/591264559.db2.gz GZDVLTWHJWMCNR-AAVRWANBSA-N 1 3 348.451 1.999 20 5 EDBDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ccc2[N+](=O)[O-])CCN1C ZINC000895735761 591264560 /nfs/dbraw/zinc/26/45/60/591264560.db2.gz GZDVLTWHJWMCNR-AAVRWANBSA-N 1 3 348.451 1.999 20 5 EDBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000819083797 593737795 /nfs/dbraw/zinc/73/77/95/593737795.db2.gz FXUGBPXRWAUCIP-KSSFIOAISA-N 1 3 349.431 1.719 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961527 593895343 /nfs/dbraw/zinc/89/53/43/593895343.db2.gz GNPGFGROYHKRLN-UHFFFAOYSA-N 1 3 338.412 1.134 20 5 EDBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CNCCCO3)CC2)cc1 ZINC000841087695 594849376 /nfs/dbraw/zinc/84/93/76/594849376.db2.gz VCSHOWMRSXOIAQ-KRWDZBQOSA-N 1 3 334.420 1.532 20 5 EDBDHO O=[N+]([O-])c1ccc(N2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087695 594849377 /nfs/dbraw/zinc/84/93/77/594849377.db2.gz VCSHOWMRSXOIAQ-KRWDZBQOSA-N 1 3 334.420 1.532 20 5 EDBDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284271328 274141144 /nfs/dbraw/zinc/14/11/44/274141144.db2.gz WWYDHCGKODIKHO-CYBMUJFWSA-N 1 3 335.452 1.854 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430589794 305057482 /nfs/dbraw/zinc/05/74/82/305057482.db2.gz JAOPCWSPPQXGNF-INIZCTEOSA-N 1 3 338.408 1.895 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442770543 446961516 /nfs/dbraw/zinc/96/15/16/446961516.db2.gz XWALPVJMZZSUFS-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO CCN1CCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877145569 597442609 /nfs/dbraw/zinc/44/26/09/597442609.db2.gz LVLDZIKZTZUCNS-UHFFFAOYSA-N 1 3 336.440 1.112 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000597942277 449152178 /nfs/dbraw/zinc/15/21/78/449152178.db2.gz JYDAQNXUACKCHO-NSHDSACASA-N 1 3 328.438 1.658 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000597942277 449152180 /nfs/dbraw/zinc/15/21/80/449152180.db2.gz JYDAQNXUACKCHO-NSHDSACASA-N 1 3 328.438 1.658 20 5 EDBDHO Cc1ccc(NCCCNC[C@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000600724364 449519739 /nfs/dbraw/zinc/51/97/39/449519739.db2.gz NOORSVXLUZXTOW-HNNXBMFYSA-N 1 3 336.436 1.752 20 5 EDBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000819083796 593737904 /nfs/dbraw/zinc/73/79/04/593737904.db2.gz FXUGBPXRWAUCIP-KDOFPFPSSA-N 1 3 349.431 1.719 20 5 EDBDHO C[C@H]([NH3+])C1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430953510 305070604 /nfs/dbraw/zinc/07/06/04/305070604.db2.gz BYGRDBHKEVDMTD-LBPRGKRZSA-N 1 3 348.403 1.952 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287991 446452282 /nfs/dbraw/zinc/45/22/82/446452282.db2.gz GWUHUPYVYDDVKQ-KBPBESRZSA-N 1 3 334.420 1.751 20 5 EDBDHO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323848 446490054 /nfs/dbraw/zinc/49/00/54/446490054.db2.gz ABVPPZGITCCXII-MCIONIFRSA-N 1 3 332.404 1.853 20 5 EDBDHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597739 447280276 /nfs/dbraw/zinc/28/02/76/447280276.db2.gz GPWYUJRQSGGIJJ-ZIAGYGMSSA-N 1 3 325.413 1.443 20 5 EDBDHO CN1CCN(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000879592057 597649166 /nfs/dbraw/zinc/64/91/66/597649166.db2.gz COFCBXMMBHYCSA-UHFFFAOYSA-N 1 3 348.447 1.685 20 5 EDBDHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543749 305281940 /nfs/dbraw/zinc/28/19/40/305281940.db2.gz SCCWXCIQZVLIDC-UONOGXRCSA-N 1 3 337.424 1.321 20 5 EDBDHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104532713 441196891 /nfs/dbraw/zinc/19/68/91/441196891.db2.gz JMTBJPBQHIYTLA-UHFFFAOYSA-N 1 3 338.408 1.169 20 5 EDBDHO COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCN1 ZINC000423418031 446524973 /nfs/dbraw/zinc/52/49/73/446524973.db2.gz UAGIBNIPXLATOQ-OFQRWUPVSA-N 1 3 337.424 1.633 20 5 EDBDHO CN1CC=C(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602581375 449687483 /nfs/dbraw/zinc/68/74/83/449687483.db2.gz IZFXNBWTCHVLOX-UHFFFAOYSA-N 1 3 331.420 1.810 20 5 EDBDHO O=[N+]([O-])c1ccc(N2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000765292532 580139543 /nfs/dbraw/zinc/13/95/43/580139543.db2.gz VVGIQZRGWFENPK-SFHVURJKSA-N 1 3 348.447 1.610 20 5 EDBDHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594668 580725419 /nfs/dbraw/zinc/72/54/19/580725419.db2.gz OJMAFTYJEWAOJX-TZMCWYRMSA-N 1 3 349.435 1.415 20 5 EDBDHO CC[NH+](CC)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441183469 305218485 /nfs/dbraw/zinc/21/84/85/305218485.db2.gz LVAWZJIJTVKPLK-INIZCTEOSA-N 1 3 339.440 1.206 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442776914 446963041 /nfs/dbraw/zinc/96/30/41/446963041.db2.gz HXNRAHOUELLFEQ-NEPJUHHUSA-N 1 3 336.392 1.601 20 5 EDBDHO CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211962 596005765 /nfs/dbraw/zinc/00/57/65/596005765.db2.gz IAHLPFCOKLEDHM-UHFFFAOYSA-N 1 3 344.415 1.950 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000531122437 448023535 /nfs/dbraw/zinc/02/35/35/448023535.db2.gz XJCFKVXUIHWYMD-UHFFFAOYSA-N 1 3 326.372 1.299 20 5 EDBDHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171124 448650337 /nfs/dbraw/zinc/65/03/37/448650337.db2.gz QZBNNOBAVMXLEH-HOCLYGCPSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171124 448650345 /nfs/dbraw/zinc/65/03/45/448650345.db2.gz QZBNNOBAVMXLEH-HOCLYGCPSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171124 448650352 /nfs/dbraw/zinc/65/03/52/448650352.db2.gz QZBNNOBAVMXLEH-HOCLYGCPSA-N 1 3 339.440 1.110 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000592472102 448851926 /nfs/dbraw/zinc/85/19/26/448851926.db2.gz LFZDTFNGBYMMEX-UHFFFAOYSA-N 1 3 349.435 1.069 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596359616 449481847 /nfs/dbraw/zinc/48/18/47/449481847.db2.gz CWBNGZMABFJXJS-LBPRGKRZSA-N 1 3 339.440 1.353 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596359616 449481852 /nfs/dbraw/zinc/48/18/52/449481852.db2.gz CWBNGZMABFJXJS-LBPRGKRZSA-N 1 3 339.440 1.353 20 5 EDBDHO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCN(CC)CC1 ZINC000344143227 283269148 /nfs/dbraw/zinc/26/91/48/283269148.db2.gz MTKZFYCCDLKQHA-UHFFFAOYSA-N 1 3 338.456 1.141 20 5 EDBDHO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCN(CC)CC1 ZINC000344143227 283269149 /nfs/dbraw/zinc/26/91/49/283269149.db2.gz MTKZFYCCDLKQHA-UHFFFAOYSA-N 1 3 338.456 1.141 20 5 EDBDHO COc1ccc(NC(=O)CCN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430569896 305056404 /nfs/dbraw/zinc/05/64/04/305056404.db2.gz GBKRMAXCGXXATI-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)CN)c([N+](=O)[O-])c1 ZINC000430569896 305056405 /nfs/dbraw/zinc/05/64/05/305056405.db2.gz GBKRMAXCGXXATI-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1ccc(NC(=O)CC[N@@H+](C)CC(C)(C)CN)c([N+](=O)[O-])c1 ZINC000430569896 305056406 /nfs/dbraw/zinc/05/64/06/305056406.db2.gz GBKRMAXCGXXATI-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO [NH3+]CC1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000565043659 321166310 /nfs/dbraw/zinc/16/63/10/321166310.db2.gz HKDLPMFTDDXTBE-UHFFFAOYSA-N 1 3 346.387 1.578 20 5 EDBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342142700 444531800 /nfs/dbraw/zinc/53/18/00/444531800.db2.gz VZBLBSCPZYLDQV-VBNZEHGJSA-N 1 3 332.404 1.983 20 5 EDBDHO COc1ccc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614710 305059180 /nfs/dbraw/zinc/05/91/80/305059180.db2.gz ZYYSZZNLHOBJIL-LBPRGKRZSA-N 1 3 336.392 1.603 20 5 EDBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342142696 444531482 /nfs/dbraw/zinc/53/14/82/444531482.db2.gz VZBLBSCPZYLDQV-DAXOMENPSA-N 1 3 332.404 1.983 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486460 446086126 /nfs/dbraw/zinc/08/61/26/446086126.db2.gz AWKPJQCZAQVSFS-QEJZJMRPSA-N 1 3 332.404 1.901 20 5 EDBDHO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323850 446489772 /nfs/dbraw/zinc/48/97/72/446489772.db2.gz ABVPPZGITCCXII-MELADBBJSA-N 1 3 332.404 1.853 20 5 EDBDHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787707 448025603 /nfs/dbraw/zinc/02/56/03/448025603.db2.gz WYKARWHWOASPMH-MRXNPFEDSA-N 1 3 339.440 1.204 20 5 EDBDHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787707 448025608 /nfs/dbraw/zinc/02/56/08/448025608.db2.gz WYKARWHWOASPMH-MRXNPFEDSA-N 1 3 339.440 1.204 20 5 EDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc([N+](=O)[O-])c1 ZINC000597942722 449152143 /nfs/dbraw/zinc/15/21/43/449152143.db2.gz MJDIBYDNVHJHBX-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc([N+](=O)[O-])c1 ZINC000597942722 449152145 /nfs/dbraw/zinc/15/21/45/449152145.db2.gz MJDIBYDNVHJHBX-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597943077 449152439 /nfs/dbraw/zinc/15/24/39/449152439.db2.gz TWSNEDYTZJYMSO-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597943077 449152443 /nfs/dbraw/zinc/15/24/43/449152443.db2.gz TWSNEDYTZJYMSO-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000563953262 306353247 /nfs/dbraw/zinc/35/32/47/306353247.db2.gz FOEOGYUCOWVFKP-CZUORRHYSA-N 1 3 335.404 1.575 20 5 EDBDHO Cc1c(NC(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351474633 446075697 /nfs/dbraw/zinc/07/56/97/446075697.db2.gz GNHBLBYOCGFKST-BFHYXJOUSA-N 1 3 332.404 1.901 20 5 EDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757519 448705849 /nfs/dbraw/zinc/70/58/49/448705849.db2.gz DLRJNMIEXDBEIF-ZNMIVQPWSA-N 1 3 337.420 1.797 20 5 EDBDHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000574034345 448774704 /nfs/dbraw/zinc/77/47/04/448774704.db2.gz XBSPYYLBAYYIRM-HIFRSBDPSA-N 1 3 335.404 1.575 20 5 EDBDHO COc1ccc(NC(=O)CCN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859297 445345086 /nfs/dbraw/zinc/34/50/86/445345086.db2.gz CPZGFNTZCDHNJZ-VXGBXAGGSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597943143 449153618 /nfs/dbraw/zinc/15/36/18/449153618.db2.gz VKCJWJNQLIOTSC-LBPRGKRZSA-N 1 3 337.424 1.179 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597943143 449153621 /nfs/dbraw/zinc/15/36/21/449153621.db2.gz VKCJWJNQLIOTSC-LBPRGKRZSA-N 1 3 337.424 1.179 20 5 EDBDHO CN(C)CCC[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596425162 449496258 /nfs/dbraw/zinc/49/62/58/449496258.db2.gz NSDHJZAXFZKVEF-UHFFFAOYSA-N 1 3 331.420 2.438 20 5 EDBDHO CN(C)CCC[N@@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596425162 449496261 /nfs/dbraw/zinc/49/62/61/449496261.db2.gz NSDHJZAXFZKVEF-UHFFFAOYSA-N 1 3 331.420 2.438 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734853 591264660 /nfs/dbraw/zinc/26/46/60/591264660.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CCN(C)[C@H]3C)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895734853 591264662 /nfs/dbraw/zinc/26/46/62/591264662.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[N@H+](C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734853 591264663 /nfs/dbraw/zinc/26/46/63/591264663.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[N@@H+](C)[C@H]3C)c2[N+](=O)[O-])CCN1C ZINC000895734853 591264665 /nfs/dbraw/zinc/26/46/65/591264665.db2.gz ANXPXQDUKQATTI-YVECIDJPSA-N 1 3 349.439 1.394 20 5 EDBDHO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905704950 592617531 /nfs/dbraw/zinc/61/75/31/592617531.db2.gz UMJVVKIARKPXSI-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905704950 592617534 /nfs/dbraw/zinc/61/75/34/592617534.db2.gz UMJVVKIARKPXSI-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864938 445347694 /nfs/dbraw/zinc/34/76/94/445347694.db2.gz ZWLMCNKOKQVONM-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486458 446086009 /nfs/dbraw/zinc/08/60/09/446086009.db2.gz AWKPJQCZAQVSFS-CFVMTHIKSA-N 1 3 332.404 1.901 20 5 EDBDHO Cn1cc(CNCCOCCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600778452 449544775 /nfs/dbraw/zinc/54/47/75/449544775.db2.gz ZKUNFSXDRYYIQG-UHFFFAOYSA-N 1 3 333.392 1.450 20 5 EDBDHO Cc1ccc(NCCCNC[C@@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000600724368 449518849 /nfs/dbraw/zinc/51/88/49/449518849.db2.gz NOORSVXLUZXTOW-OAHLLOKOSA-N 1 3 336.436 1.752 20 5 EDBDHO C[C@@H](CN(C)C)Nc1ncnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000603376160 450270208 /nfs/dbraw/zinc/27/02/08/450270208.db2.gz KQSORYGZKJNZSB-QWRGUYRKSA-N 1 3 325.417 1.109 20 5 EDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415049876 304154613 /nfs/dbraw/zinc/15/46/13/304154613.db2.gz YHPDLRQYBFQYNQ-DOMZBBRYSA-N 1 3 336.392 1.280 20 5 EDBDHO CC[NH+](CC)CCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928197 151199685 /nfs/dbraw/zinc/19/96/85/151199685.db2.gz KNAJPCTXARVBJW-AWEZNQCLSA-N 1 3 325.413 1.224 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119667035 441946388 /nfs/dbraw/zinc/94/63/88/441946388.db2.gz VXJYKTRTRVMNOF-UHFFFAOYSA-N 1 3 337.424 1.860 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000181441996 442697505 /nfs/dbraw/zinc/69/75/05/442697505.db2.gz JPSSONWIEBQCIJ-ZBFHGGJFSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000181441996 442697507 /nfs/dbraw/zinc/69/75/07/442697507.db2.gz JPSSONWIEBQCIJ-ZBFHGGJFSA-N 1 3 339.440 1.518 20 5 EDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420370952 446547846 /nfs/dbraw/zinc/54/78/46/446547846.db2.gz WGZPKWQKCXQULE-HNNXBMFYSA-N 1 3 348.403 1.871 20 5 EDBDHO CC1(C)C[NH2+]CC[C@@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420370952 446547855 /nfs/dbraw/zinc/54/78/55/446547855.db2.gz WGZPKWQKCXQULE-HNNXBMFYSA-N 1 3 348.403 1.871 20 5 EDBDHO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414770810 304139010 /nfs/dbraw/zinc/13/90/10/304139010.db2.gz YMDZIDFXYBFCLJ-OAHLLOKOSA-N 1 3 334.420 1.266 20 5 EDBDHO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414770810 304139012 /nfs/dbraw/zinc/13/90/12/304139012.db2.gz YMDZIDFXYBFCLJ-OAHLLOKOSA-N 1 3 334.420 1.266 20 5 EDBDHO [NH3+]CC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430627740 305060014 /nfs/dbraw/zinc/06/00/14/305060014.db2.gz UEDJFEJJJHFPKP-UHFFFAOYSA-N 1 3 334.376 1.564 20 5 EDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H](O)C[NH+]2CCCC2)n1 ZINC000447526476 305281484 /nfs/dbraw/zinc/28/14/84/305281484.db2.gz BTKIPBJLGHQBCZ-SOUVJXGZSA-N 1 3 337.424 1.321 20 5 EDBDHO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000193655393 442764589 /nfs/dbraw/zinc/76/45/89/442764589.db2.gz ASMATBLOQXXEGE-TXEJJXNPSA-N 1 3 336.367 1.556 20 5 EDBDHO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000193655393 442764591 /nfs/dbraw/zinc/76/45/91/442764591.db2.gz ASMATBLOQXXEGE-TXEJJXNPSA-N 1 3 336.367 1.556 20 5 EDBDHO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000567492541 448701906 /nfs/dbraw/zinc/70/19/06/448701906.db2.gz FCKJQJSIBUUICM-ZBFHGGJFSA-N 1 3 337.420 1.656 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597942761 449152765 /nfs/dbraw/zinc/15/27/65/449152765.db2.gz NPCVPHOKJDSZIS-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597942761 449152768 /nfs/dbraw/zinc/15/27/68/449152768.db2.gz NPCVPHOKJDSZIS-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000602527207 449651874 /nfs/dbraw/zinc/65/18/74/449651874.db2.gz HTDWGFODNZEQRJ-UHFFFAOYSA-N 1 3 337.420 1.928 20 5 EDBDHO Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414990480 304148592 /nfs/dbraw/zinc/14/85/92/304148592.db2.gz PDPJAXRUHZSAIT-QAPCUYQASA-N 1 3 346.431 1.640 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000581602792 322197675 /nfs/dbraw/zinc/19/76/75/322197675.db2.gz QOUYLDLUAORYMP-INIZCTEOSA-N 1 3 335.404 1.551 20 5 EDBDHO C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1)N(C)C ZINC000443440808 447052462 /nfs/dbraw/zinc/05/24/62/447052462.db2.gz JCMFACIXSKXLHU-VHSXEESVSA-N 1 3 330.458 1.775 20 5 EDBDHO C[C@H](CNc1nc(NC[C@H](C)N(C)C)c([N+](=O)[O-])s1)[NH+](C)C ZINC000443440808 447052469 /nfs/dbraw/zinc/05/24/69/447052469.db2.gz JCMFACIXSKXLHU-VHSXEESVSA-N 1 3 330.458 1.775 20 5 EDBDHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389016 448284592 /nfs/dbraw/zinc/28/45/92/448284592.db2.gz UKKRMNDVFZMWGX-BBRMVZONSA-N 1 3 346.431 1.759 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CCN(C)[C@H]3C)n2)CCN1C ZINC000895735875 591264437 /nfs/dbraw/zinc/26/44/37/591264437.db2.gz GBMZOWFFKYCKQZ-UMSGYPCISA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CCN(C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735875 591264438 /nfs/dbraw/zinc/26/44/38/591264438.db2.gz GBMZOWFFKYCKQZ-UMSGYPCISA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CCN(C)[C@H]3C)n2)CC[N@H+]1C ZINC000895735875 591264439 /nfs/dbraw/zinc/26/44/39/591264439.db2.gz GBMZOWFFKYCKQZ-UMSGYPCISA-N 1 3 349.439 1.394 20 5 EDBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951489 594127716 /nfs/dbraw/zinc/12/77/16/594127716.db2.gz BOOHAGCPXVEFEY-HNNXBMFYSA-N 1 3 342.484 1.696 20 5 EDBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951489 594127717 /nfs/dbraw/zinc/12/77/17/594127717.db2.gz BOOHAGCPXVEFEY-HNNXBMFYSA-N 1 3 342.484 1.696 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855347117 595681662 /nfs/dbraw/zinc/68/16/62/595681662.db2.gz UHHJMMAGJADIHM-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855347117 595681664 /nfs/dbraw/zinc/68/16/64/595681664.db2.gz UHHJMMAGJADIHM-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1CC[NH+](C2CC2)CC1 ZINC000564845051 306366928 /nfs/dbraw/zinc/36/69/28/306366928.db2.gz SIRFSBYIXFBXSA-HNNXBMFYSA-N 1 3 335.404 1.551 20 5 EDBDHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171123 448650270 /nfs/dbraw/zinc/65/02/70/448650270.db2.gz QZBNNOBAVMXLEH-GOEBONIOSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171123 448650277 /nfs/dbraw/zinc/65/02/77/448650277.db2.gz QZBNNOBAVMXLEH-GOEBONIOSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171123 448650284 /nfs/dbraw/zinc/65/02/84/448650284.db2.gz QZBNNOBAVMXLEH-GOEBONIOSA-N 1 3 339.440 1.110 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597942765 449152723 /nfs/dbraw/zinc/15/27/23/449152723.db2.gz NXUIYMQSILZFFW-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597942765 449152725 /nfs/dbraw/zinc/15/27/25/449152725.db2.gz NXUIYMQSILZFFW-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO CN(C)C1(CNc2nc(NCC3([NH+](C)C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000419012096 446866703 /nfs/dbraw/zinc/86/67/03/446866703.db2.gz VAFZHDCFFKGQER-UHFFFAOYSA-N 1 3 348.451 2.002 20 5 EDBDHO C[C@@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032460 447794547 /nfs/dbraw/zinc/79/45/47/447794547.db2.gz FJVZGFOOONVFFH-LBPRGKRZSA-N 1 3 329.422 1.476 20 5 EDBDHO O=[N+]([O-])c1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cn1 ZINC000592477466 448853825 /nfs/dbraw/zinc/85/38/25/448853825.db2.gz XICSNZHQCVWLCE-UHFFFAOYSA-N 1 3 333.436 1.892 20 5 EDBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951491 594127675 /nfs/dbraw/zinc/12/76/75/594127675.db2.gz BOOHAGCPXVEFEY-OAHLLOKOSA-N 1 3 342.484 1.696 20 5 EDBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822951491 594127676 /nfs/dbraw/zinc/12/76/76/594127676.db2.gz BOOHAGCPXVEFEY-OAHLLOKOSA-N 1 3 342.484 1.696 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855345908 595680715 /nfs/dbraw/zinc/68/07/15/595680715.db2.gz KCQBWJCLCACJBA-QIENPNARSA-N 1 3 348.447 1.996 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855345908 595680718 /nfs/dbraw/zinc/68/07/18/595680718.db2.gz KCQBWJCLCACJBA-QIENPNARSA-N 1 3 348.447 1.996 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867781 442931474 /nfs/dbraw/zinc/93/14/74/442931474.db2.gz BERKYWPQCBIBEM-GJZGRUSLSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867781 442931476 /nfs/dbraw/zinc/93/14/76/442931476.db2.gz BERKYWPQCBIBEM-GJZGRUSLSA-N 1 3 339.440 1.518 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843352809 595084788 /nfs/dbraw/zinc/08/47/88/595084788.db2.gz MAEBRSMEBTXFQE-UHFFFAOYSA-N 1 3 336.392 1.744 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374228 139106084 /nfs/dbraw/zinc/10/60/84/139106084.db2.gz JPSSONWIEBQCIJ-GOEBONIOSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246374228 139106085 /nfs/dbraw/zinc/10/60/85/139106085.db2.gz JPSSONWIEBQCIJ-GOEBONIOSA-N 1 3 339.440 1.518 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479526 446081292 /nfs/dbraw/zinc/08/12/92/446081292.db2.gz RKPBSTSPKBMXEL-UBHSHLNASA-N 1 3 348.403 1.601 20 5 EDBDHO O=[N+]([O-])c1ccn(C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903757388 592314925 /nfs/dbraw/zinc/31/49/25/592314925.db2.gz ZHSHTXUTFVTWRI-ZBFHGGJFSA-N 1 3 335.408 1.197 20 5 EDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000819172361 593742704 /nfs/dbraw/zinc/74/27/04/593742704.db2.gz DKAFZWRPQDOOJG-RCCFBDPRSA-N 1 3 349.431 1.596 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000189998315 443045395 /nfs/dbraw/zinc/04/53/95/443045395.db2.gz BERKYWPQCBIBEM-HUUCEWRRSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000189998315 443045400 /nfs/dbraw/zinc/04/54/00/443045400.db2.gz BERKYWPQCBIBEM-HUUCEWRRSA-N 1 3 339.440 1.518 20 5 EDBDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107299 443858525 /nfs/dbraw/zinc/85/85/25/443858525.db2.gz KQGAOEWLLDMEEI-ZDUSSCGKSA-N 1 3 335.452 1.854 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000289169412 444068534 /nfs/dbraw/zinc/06/85/34/444068534.db2.gz FEYIEMSUNRAGPD-UHFFFAOYSA-N 1 3 338.452 1.919 20 5 EDBDHO CCCC[NH+]1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640513 322077117 /nfs/dbraw/zinc/07/71/17/322077117.db2.gz BLNPINCWCRGLGA-HNNXBMFYSA-N 1 3 325.413 1.006 20 5 EDBDHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423464971 446548322 /nfs/dbraw/zinc/54/83/22/446548322.db2.gz WFCPGTWZYWSLIM-XZOAIXRZSA-N 1 3 346.431 1.892 20 5 EDBDHO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597943289 449153360 /nfs/dbraw/zinc/15/33/60/449153360.db2.gz XDUYWRDEGMKVTM-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597943289 449153365 /nfs/dbraw/zinc/15/33/65/449153365.db2.gz XDUYWRDEGMKVTM-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO C[NH+]1CCC2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877743 449885817 /nfs/dbraw/zinc/88/58/17/449885817.db2.gz MDVAMONQAXAESQ-HNNXBMFYSA-N 1 3 349.431 1.752 20 5 EDBDHO CN(C)CCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000774379686 580360881 /nfs/dbraw/zinc/36/08/81/580360881.db2.gz DSCVNMVFTHOXBN-UHFFFAOYSA-N 1 3 336.436 1.731 20 5 EDBDHO CC(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[N+](=O)[O-] ZINC000893044827 590632673 /nfs/dbraw/zinc/63/26/73/590632673.db2.gz OMCCTLGALAXQPV-KYJSFNMBSA-N 1 3 348.399 1.734 20 5 EDBDHO CC(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)[N+](=O)[O-] ZINC000893044827 590632678 /nfs/dbraw/zinc/63/26/78/590632678.db2.gz OMCCTLGALAXQPV-KYJSFNMBSA-N 1 3 348.399 1.734 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CCN(C)[C@H]3C)n2)CCN1C ZINC000895735873 591264760 /nfs/dbraw/zinc/26/47/60/591264760.db2.gz GBMZOWFFKYCKQZ-QNWHQSFQSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CCN(C)[C@H]3C)n2)CC[N@@H+]1C ZINC000895735873 591264762 /nfs/dbraw/zinc/26/47/62/591264762.db2.gz GBMZOWFFKYCKQZ-QNWHQSFQSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CCN(C)[C@H]3C)n2)CC[N@H+]1C ZINC000895735873 591264765 /nfs/dbraw/zinc/26/47/65/591264765.db2.gz GBMZOWFFKYCKQZ-QNWHQSFQSA-N 1 3 349.439 1.394 20 5 EDBDHO Cc1c(C[C@@H](C[NH3+])CN(C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000903917751 592390918 /nfs/dbraw/zinc/39/09/18/592390918.db2.gz MZBRVISXWDBPSV-INIZCTEOSA-N 1 3 345.447 1.929 20 5 EDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415049882 304154684 /nfs/dbraw/zinc/15/46/84/304154684.db2.gz YHPDLRQYBFQYNQ-SWLSCSKDSA-N 1 3 336.392 1.280 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246576811 139113464 /nfs/dbraw/zinc/11/34/64/139113464.db2.gz LRBPKWQQDWQFRV-IAOVAPTHSA-N 1 3 349.435 1.101 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246576811 139113465 /nfs/dbraw/zinc/11/34/65/139113465.db2.gz LRBPKWQQDWQFRV-IAOVAPTHSA-N 1 3 349.435 1.101 20 5 EDBDHO O=C1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414993729 319344553 /nfs/dbraw/zinc/34/45/53/319344553.db2.gz UAOFTVGZZTXJOM-WBVHZDCISA-N 1 3 332.404 1.331 20 5 EDBDHO C[NH2+]CCOCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600771742 449542178 /nfs/dbraw/zinc/54/21/78/449542178.db2.gz AUQPOWJRUVPCNL-UHFFFAOYSA-N 1 3 347.419 1.663 20 5 EDBDHO CC[NH+](CC)CCO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602785913 449808485 /nfs/dbraw/zinc/80/84/85/449808485.db2.gz XBBFWBOTWWMKPY-OAHLLOKOSA-N 1 3 339.440 1.532 20 5 EDBDHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342105186 445174199 /nfs/dbraw/zinc/17/41/99/445174199.db2.gz NZJRQXRCAJCDOZ-MGPQQGTHSA-N 1 3 332.404 1.983 20 5 EDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12 ZINC000351474175 446076128 /nfs/dbraw/zinc/07/61/28/446076128.db2.gz FUMQIQWUAJRBIR-IACUBPJLSA-N 1 3 346.387 1.562 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596363526 449483314 /nfs/dbraw/zinc/48/33/14/449483314.db2.gz IEKFWPZXBNMVRP-NSHDSACASA-N 1 3 340.453 1.988 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596363526 449483317 /nfs/dbraw/zinc/48/33/17/449483317.db2.gz IEKFWPZXBNMVRP-NSHDSACASA-N 1 3 340.453 1.988 20 5 EDBDHO Cc1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1[N+](=O)[O-] ZINC000905702378 592615702 /nfs/dbraw/zinc/61/57/02/592615702.db2.gz FROPOJRSMPHXMQ-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO Cc1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1[N+](=O)[O-] ZINC000905702378 592615705 /nfs/dbraw/zinc/61/57/05/592615705.db2.gz FROPOJRSMPHXMQ-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+] ZINC000842478177 595115836 /nfs/dbraw/zinc/11/58/36/595115836.db2.gz GTFWUAVOECQJFX-NEPJUHHUSA-N 1 3 338.383 1.979 20 5 EDBDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849099999 595481770 /nfs/dbraw/zinc/48/17/70/595481770.db2.gz OIPVHGAYDGDDKO-CQSZACIVSA-N 1 3 335.408 1.572 20 5 EDBDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293790043 303019624 /nfs/dbraw/zinc/01/96/24/303019624.db2.gz QOFAANGIYRMQRZ-CQSZACIVSA-N 1 3 335.452 1.855 20 5 EDBDHO C[C@H](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000583139655 326010173 /nfs/dbraw/zinc/01/01/73/326010173.db2.gz AQCJXDPCAVTRMV-HIFRSBDPSA-N 1 3 325.413 1.006 20 5 EDBDHO C[C@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000583139655 326010176 /nfs/dbraw/zinc/01/01/76/326010176.db2.gz AQCJXDPCAVTRMV-HIFRSBDPSA-N 1 3 325.413 1.006 20 5 EDBDHO [NH3+]Cc1cn([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385526 446561220 /nfs/dbraw/zinc/56/12/20/446561220.db2.gz SYYNVPOIFVZTBE-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385526 446561225 /nfs/dbraw/zinc/56/12/25/446561225.db2.gz SYYNVPOIFVZTBE-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385526 446561229 /nfs/dbraw/zinc/56/12/29/446561229.db2.gz SYYNVPOIFVZTBE-HNNXBMFYSA-N 1 3 346.391 1.361 20 5 EDBDHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594661 580725396 /nfs/dbraw/zinc/72/53/96/580725396.db2.gz OJMAFTYJEWAOJX-GXTWGEPZSA-N 1 3 349.435 1.415 20 5 EDBDHO CCOCCC[N@@H+]1CC[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867789 442931336 /nfs/dbraw/zinc/93/13/36/442931336.db2.gz BERKYWPQCBIBEM-LSDHHAIUSA-N 1 3 339.440 1.518 20 5 EDBDHO CCOCCC[N@H+]1CC[C@@H](NCCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248867789 442931339 /nfs/dbraw/zinc/93/13/39/442931339.db2.gz BERKYWPQCBIBEM-LSDHHAIUSA-N 1 3 339.440 1.518 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000570443781 448015027 /nfs/dbraw/zinc/01/50/27/448015027.db2.gz ARZMDKPDMMDWDO-DZGCQCFKSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570443781 448015034 /nfs/dbraw/zinc/01/50/34/448015034.db2.gz ARZMDKPDMMDWDO-DZGCQCFKSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570443781 448015038 /nfs/dbraw/zinc/01/50/38/448015038.db2.gz ARZMDKPDMMDWDO-DZGCQCFKSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000572869847 448485398 /nfs/dbraw/zinc/48/53/98/448485398.db2.gz TVLFGSKKDRWCAD-CZUORRHYSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000572869847 448485402 /nfs/dbraw/zinc/48/54/02/448485402.db2.gz TVLFGSKKDRWCAD-CZUORRHYSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000572869847 448485407 /nfs/dbraw/zinc/48/54/07/448485407.db2.gz TVLFGSKKDRWCAD-CZUORRHYSA-N 1 3 335.404 1.408 20 5 EDBDHO CN1CC[NH+](CCCCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602510088 449638586 /nfs/dbraw/zinc/63/85/86/449638586.db2.gz JKIKRVKRPXXXEY-UHFFFAOYSA-N 1 3 347.419 1.853 20 5 EDBDHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423451230 319777437 /nfs/dbraw/zinc/77/74/37/319777437.db2.gz IGBDIXFVWOFRJG-NJAPINKUSA-N 1 3 346.431 1.892 20 5 EDBDHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393831 448367594 /nfs/dbraw/zinc/36/75/94/448367594.db2.gz ZSBHEBCYGODABE-HUUCEWRRSA-N 1 3 337.420 1.656 20 5 EDBDHO Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000286419252 288001767 /nfs/dbraw/zinc/00/17/67/288001767.db2.gz MVBXRQSFGYUYHM-QWRGUYRKSA-N 1 3 339.444 1.417 20 5 EDBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000268878615 443135673 /nfs/dbraw/zinc/13/56/73/443135673.db2.gz XCOWHZRNEZPSEU-IAGOWNOFSA-N 1 3 333.432 1.962 20 5 EDBDHO CC1(C)CC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000576540546 448079677 /nfs/dbraw/zinc/07/96/77/448079677.db2.gz NLJHOJXQPCCONL-CYBMUJFWSA-N 1 3 325.413 1.051 20 5 EDBDHO CC1(C)CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)N1 ZINC000576540546 448079686 /nfs/dbraw/zinc/07/96/86/448079686.db2.gz NLJHOJXQPCCONL-CYBMUJFWSA-N 1 3 325.413 1.051 20 5 EDBDHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000576749637 448131977 /nfs/dbraw/zinc/13/19/77/448131977.db2.gz UWXINIFFIFTWAY-LSDHHAIUSA-N 1 3 337.420 1.656 20 5 EDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518757518 448705720 /nfs/dbraw/zinc/70/57/20/448705720.db2.gz DLRJNMIEXDBEIF-RRFJBIMHSA-N 1 3 337.420 1.797 20 5 EDBDHO COc1ccc(NC(=O)CCN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859296 445345215 /nfs/dbraw/zinc/34/52/15/445345215.db2.gz CPZGFNTZCDHNJZ-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000574034344 448774450 /nfs/dbraw/zinc/77/44/50/448774450.db2.gz XBSPYYLBAYYIRM-DZGCQCFKSA-N 1 3 335.404 1.575 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442773582 446963499 /nfs/dbraw/zinc/96/34/99/446963499.db2.gz XWQATWVQHDVGCT-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171125 448649960 /nfs/dbraw/zinc/64/99/60/448649960.db2.gz QZBNNOBAVMXLEH-ZBFHGGJFSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171125 448649963 /nfs/dbraw/zinc/64/99/63/448649963.db2.gz QZBNNOBAVMXLEH-ZBFHGGJFSA-N 1 3 339.440 1.110 20 5 EDBDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000518171125 448649966 /nfs/dbraw/zinc/64/99/66/448649966.db2.gz QZBNNOBAVMXLEH-ZBFHGGJFSA-N 1 3 339.440 1.110 20 5 EDBDHO C[NH+](C)CCN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602509324 449638645 /nfs/dbraw/zinc/63/86/45/449638645.db2.gz RMQSIDASPXRPJS-UHFFFAOYSA-N 1 3 347.419 1.852 20 5 EDBDHO CN(C)CC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602509324 449638647 /nfs/dbraw/zinc/63/86/47/449638647.db2.gz RMQSIDASPXRPJS-UHFFFAOYSA-N 1 3 347.419 1.852 20 5 EDBDHO COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCN1 ZINC000423418032 446524755 /nfs/dbraw/zinc/52/47/55/446524755.db2.gz UAGIBNIPXLATOQ-SQWLQELKSA-N 1 3 337.424 1.633 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430559081 447778303 /nfs/dbraw/zinc/77/83/03/447778303.db2.gz RRDOKCIBXKZPQV-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430559081 447778307 /nfs/dbraw/zinc/77/83/07/447778307.db2.gz RRDOKCIBXKZPQV-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430559081 447778310 /nfs/dbraw/zinc/77/83/10/447778310.db2.gz RRDOKCIBXKZPQV-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430564325 447779393 /nfs/dbraw/zinc/77/93/93/447779393.db2.gz LPTVRSASTDRSTR-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430564325 447779397 /nfs/dbraw/zinc/77/93/97/447779397.db2.gz LPTVRSASTDRSTR-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430564325 447779400 /nfs/dbraw/zinc/77/94/00/447779400.db2.gz LPTVRSASTDRSTR-UHFFFAOYSA-N 1 3 338.408 1.849 20 5 EDBDHO O=[N+]([O-])c1ccc(OC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000563152298 306320445 /nfs/dbraw/zinc/32/04/45/306320445.db2.gz AJDZLNCASAQVCG-UHFFFAOYSA-N 1 3 334.420 1.343 20 5 EDBDHO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000563953261 306353192 /nfs/dbraw/zinc/35/31/92/306353192.db2.gz FOEOGYUCOWVFKP-CJNGLKHVSA-N 1 3 335.404 1.575 20 5 EDBDHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000346060935 445205666 /nfs/dbraw/zinc/20/56/66/445205666.db2.gz DIPHMLFBSCHYCZ-DZGCQCFKSA-N 1 3 334.420 1.833 20 5 EDBDHO COc1ccc(NC(=O)CCN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351859294 445345383 /nfs/dbraw/zinc/34/53/83/445345383.db2.gz CPZGFNTZCDHNJZ-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000572869845 448485478 /nfs/dbraw/zinc/48/54/78/448485478.db2.gz TVLFGSKKDRWCAD-BBRMVZONSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000572869845 448485483 /nfs/dbraw/zinc/48/54/83/448485483.db2.gz TVLFGSKKDRWCAD-BBRMVZONSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000572869845 448485486 /nfs/dbraw/zinc/48/54/86/448485486.db2.gz TVLFGSKKDRWCAD-BBRMVZONSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903741395 592303416 /nfs/dbraw/zinc/30/34/16/592303416.db2.gz PIIVMDOFDICDQB-UNEWFSDZSA-N 1 3 347.419 1.245 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000903978619 592399794 /nfs/dbraw/zinc/39/97/94/592399794.db2.gz HXBQLGKPICSEKM-VEOVGUQNSA-N 1 3 345.399 1.820 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826101187 594331449 /nfs/dbraw/zinc/33/14/49/594331449.db2.gz PJUQVTGLNUDXLN-UHFFFAOYSA-N 1 3 342.827 1.814 20 5 EDBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347127173 143285573 /nfs/dbraw/zinc/28/55/73/143285573.db2.gz YRGDAVYWEKOQJC-OMVNSRBRSA-N 1 3 332.404 1.395 20 5 EDBDHO CCN1CCN([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107369858 441412577 /nfs/dbraw/zinc/41/25/77/441412577.db2.gz SRHMNINFDJFSPM-MRXNPFEDSA-N 1 3 348.447 1.685 20 5 EDBDHO CCN1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107369858 441412581 /nfs/dbraw/zinc/41/25/81/441412581.db2.gz SRHMNINFDJFSPM-MRXNPFEDSA-N 1 3 348.447 1.685 20 5 EDBDHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000414679220 319340947 /nfs/dbraw/zinc/34/09/47/319340947.db2.gz RKBSCKLULOKAGR-OAHLLOKOSA-N 1 3 346.431 1.757 20 5 EDBDHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000414679220 319340949 /nfs/dbraw/zinc/34/09/49/319340949.db2.gz RKBSCKLULOKAGR-OAHLLOKOSA-N 1 3 346.431 1.757 20 5 EDBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342142694 444531820 /nfs/dbraw/zinc/53/18/20/444531820.db2.gz VZBLBSCPZYLDQV-APHBMKBZSA-N 1 3 332.404 1.983 20 5 EDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12 ZINC000351474176 446076273 /nfs/dbraw/zinc/07/62/73/446076273.db2.gz FUMQIQWUAJRBIR-KWCYVHTRSA-N 1 3 346.387 1.562 20 5 EDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486459 446086565 /nfs/dbraw/zinc/08/65/65/446086565.db2.gz AWKPJQCZAQVSFS-NWANDNLSSA-N 1 3 332.404 1.901 20 5 EDBDHO O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903755087 592312378 /nfs/dbraw/zinc/31/23/78/592312378.db2.gz ACDBLQLMFHESRB-HNNXBMFYSA-N 1 3 349.435 1.587 20 5 EDBDHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414719189 304132675 /nfs/dbraw/zinc/13/26/75/304132675.db2.gz XPEDGIFKMOSFEB-ZDUSSCGKSA-N 1 3 334.420 1.617 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474414 446075193 /nfs/dbraw/zinc/07/51/93/446075193.db2.gz GAJYKDMYMMIHIA-NWANDNLSSA-N 1 3 332.404 1.901 20 5 EDBDHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389019 448284304 /nfs/dbraw/zinc/28/43/04/448284304.db2.gz UKKRMNDVFZMWGX-XJKSGUPXSA-N 1 3 346.431 1.759 20 5 EDBDHO Cc1c(C[C@H](C[NH3+])CN(C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000903917752 592390502 /nfs/dbraw/zinc/39/05/02/592390502.db2.gz MZBRVISXWDBPSV-MRXNPFEDSA-N 1 3 345.447 1.929 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000903978618 592399135 /nfs/dbraw/zinc/39/91/35/592399135.db2.gz HXBQLGKPICSEKM-HGDMLWJWSA-N 1 3 345.399 1.820 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863738 445347082 /nfs/dbraw/zinc/34/70/82/445347082.db2.gz UUFQZSMHOGMAHN-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351487858 446090108 /nfs/dbraw/zinc/09/01/08/446090108.db2.gz CYBDKBNGQVSZJE-FPMFFAJLSA-N 1 3 348.403 1.601 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351487861 446089536 /nfs/dbraw/zinc/08/95/36/446089536.db2.gz CYBDKBNGQVSZJE-YUTCNCBUSA-N 1 3 348.403 1.601 20 5 EDBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389018 448285331 /nfs/dbraw/zinc/28/53/31/448285331.db2.gz UKKRMNDVFZMWGX-CZUORRHYSA-N 1 3 346.431 1.759 20 5 EDBDHO CN1CCCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000894376223 591294975 /nfs/dbraw/zinc/29/49/75/591294975.db2.gz RASMFNQOUSHKFN-UHFFFAOYSA-N 1 3 336.440 1.112 20 5 EDBDHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000133435364 287539171 /nfs/dbraw/zinc/53/91/71/287539171.db2.gz JZYOWAGYBCALTN-UHFFFAOYSA-N 1 3 337.424 1.860 20 5 EDBDHO CC(C)[N@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000534870814 306009031 /nfs/dbraw/zinc/00/90/31/306009031.db2.gz ICQRYOAPSPWUTH-UHFFFAOYSA-N 1 3 336.436 1.809 20 5 EDBDHO CC(C)[N@@H+](C)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000534870814 306009032 /nfs/dbraw/zinc/00/90/32/306009032.db2.gz ICQRYOAPSPWUTH-UHFFFAOYSA-N 1 3 336.436 1.809 20 5 EDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571671060 321396224 /nfs/dbraw/zinc/39/62/24/321396224.db2.gz PRGUREBKXFXPSS-LZWOXQAQSA-N 1 3 337.420 1.797 20 5 EDBDHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393830 448367650 /nfs/dbraw/zinc/36/76/50/448367650.db2.gz ZSBHEBCYGODABE-GJZGRUSLSA-N 1 3 337.420 1.656 20 5 EDBDHO CN1CCC(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602548573 449666641 /nfs/dbraw/zinc/66/66/41/449666641.db2.gz NBPXBYRDGYCNEN-MRXNPFEDSA-N 1 3 332.448 1.895 20 5 EDBDHO CN1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000414478138 304117807 /nfs/dbraw/zinc/11/78/07/304117807.db2.gz DFOCHHXSMDKNPA-UHFFFAOYSA-N 1 3 348.447 1.481 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442776916 446964046 /nfs/dbraw/zinc/96/40/46/446964046.db2.gz HXNRAHOUELLFEQ-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597943314 449153641 /nfs/dbraw/zinc/15/36/41/449153641.db2.gz XQHHQYVYKHQRCI-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597943314 449153644 /nfs/dbraw/zinc/15/36/44/449153644.db2.gz XQHHQYVYKHQRCI-LBPRGKRZSA-N 1 3 340.399 1.736 20 5 EDBDHO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CCN(C)[C@@H]3C)n2)CCN1C ZINC000895735866 591264637 /nfs/dbraw/zinc/26/46/37/591264637.db2.gz GBMZOWFFKYCKQZ-FDYHWXHSSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ncc2[N+](=O)[O-])CCN1C ZINC000895735866 591264638 /nfs/dbraw/zinc/26/46/38/591264638.db2.gz GBMZOWFFKYCKQZ-FDYHWXHSSA-N 1 3 349.439 1.394 20 5 EDBDHO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ncc2[N+](=O)[O-])CCN1C ZINC000895735866 591264640 /nfs/dbraw/zinc/26/46/40/591264640.db2.gz GBMZOWFFKYCKQZ-FDYHWXHSSA-N 1 3 349.439 1.394 20 5 EDBDHO O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414985773 296325479 /nfs/dbraw/zinc/32/54/79/296325479.db2.gz HYDKZHPRVZNCAH-WBVHZDCISA-N 1 3 332.404 1.331 20 5 EDBDHO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C2CCOCC2)CC1 ZINC000363593395 153008904 /nfs/dbraw/zinc/00/89/04/153008904.db2.gz NMCMVTTWHRIPDO-UHFFFAOYSA-N 1 3 337.424 1.367 20 5 EDBDHO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C2CCOCC2)CC1 ZINC000363593395 153008906 /nfs/dbraw/zinc/00/89/06/153008906.db2.gz NMCMVTTWHRIPDO-UHFFFAOYSA-N 1 3 337.424 1.367 20 5 EDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134192 305307262 /nfs/dbraw/zinc/30/72/62/305307262.db2.gz HJLNMXJECCAAQE-GDBMZVCRSA-N 1 3 348.447 1.703 20 5 EDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134192 305307263 /nfs/dbraw/zinc/30/72/63/305307263.db2.gz HJLNMXJECCAAQE-GDBMZVCRSA-N 1 3 348.447 1.703 20 5 EDBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000268878613 443135467 /nfs/dbraw/zinc/13/54/67/443135467.db2.gz XCOWHZRNEZPSEU-DLBZAZTESA-N 1 3 333.432 1.962 20 5 EDBDHO COc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420334026 446504574 /nfs/dbraw/zinc/50/45/74/446504574.db2.gz KUTSSRMXEIHUKY-OKILXGFUSA-N 1 3 335.404 1.914 20 5 EDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423517866 446559538 /nfs/dbraw/zinc/55/95/38/446559538.db2.gz OJXFDOUBFLPKSL-DOMZBBRYSA-N 1 3 336.392 1.280 20 5 EDBDHO CN1CCC(Nc2ncnc(NC3CC[NH+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603269669 450196468 /nfs/dbraw/zinc/19/64/68/450196468.db2.gz XEISECDVNVGSEZ-UHFFFAOYSA-N 1 3 349.439 1.397 20 5 EDBDHO C[N@H+](C[C@@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1 ZINC000374295669 157230938 /nfs/dbraw/zinc/23/09/38/157230938.db2.gz KFKKYPFMEBSEFG-AWEZNQCLSA-N 1 3 333.436 1.988 20 5 EDBDHO C[N@@H+](C[C@@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1 ZINC000374295669 157230943 /nfs/dbraw/zinc/23/09/43/157230943.db2.gz KFKKYPFMEBSEFG-AWEZNQCLSA-N 1 3 333.436 1.988 20 5 EDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12 ZINC000351474177 446074818 /nfs/dbraw/zinc/07/48/18/446074818.db2.gz FUMQIQWUAJRBIR-MRVWCRGKSA-N 1 3 346.387 1.562 20 5 EDBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000866270926 596843598 /nfs/dbraw/zinc/84/35/98/596843598.db2.gz YDDDYOAOTXVYGV-LBPRGKRZSA-N 1 3 325.384 1.711 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000430621283 305059485 /nfs/dbraw/zinc/05/94/85/305059485.db2.gz CTDPIZFCPUJYFY-GFCCVEGCSA-N 1 3 336.392 1.603 20 5 EDBDHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442776918 446963599 /nfs/dbraw/zinc/96/35/99/446963599.db2.gz HXNRAHOUELLFEQ-RYUDHWBXSA-N 1 3 336.392 1.601 20 5 EDBDHO O=C(CNCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000602670454 449740996 /nfs/dbraw/zinc/74/09/96/449740996.db2.gz OPYJSKGMWJCGRR-UHFFFAOYSA-N 1 3 348.447 1.719 20 5 EDBDHO CCOc1cc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC000904342235 592234335 /nfs/dbraw/zinc/23/43/35/592234335.db2.gz AAFOGONVOVOCKE-OKILXGFUSA-N 1 3 334.420 1.853 20 5 EDBDHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000128156028 442248677 /nfs/dbraw/zinc/24/86/77/442248677.db2.gz DIPHMLFBSCHYCZ-ZFWWWQNUSA-N 1 3 334.420 1.833 20 5 EDBDHO CCCC[NH+]1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640516 322077018 /nfs/dbraw/zinc/07/70/18/322077018.db2.gz BLNPINCWCRGLGA-OAHLLOKOSA-N 1 3 325.413 1.006 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864936 445347554 /nfs/dbraw/zinc/34/75/54/445347554.db2.gz ZWLMCNKOKQVONM-NEPJUHHUSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423517871 446559463 /nfs/dbraw/zinc/55/94/63/446559463.db2.gz OJXFDOUBFLPKSL-WFASDCNBSA-N 1 3 336.392 1.280 20 5 EDBDHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423464970 446549204 /nfs/dbraw/zinc/54/92/04/446549204.db2.gz WFCPGTWZYWSLIM-NJAPINKUSA-N 1 3 346.431 1.892 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000570443784 448015506 /nfs/dbraw/zinc/01/55/06/448015506.db2.gz ARZMDKPDMMDWDO-ZFWWWQNUSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570443784 448015513 /nfs/dbraw/zinc/01/55/13/448015513.db2.gz ARZMDKPDMMDWDO-ZFWWWQNUSA-N 1 3 335.404 1.408 20 5 EDBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570443784 448015515 /nfs/dbraw/zinc/01/55/15/448015515.db2.gz ARZMDKPDMMDWDO-ZFWWWQNUSA-N 1 3 335.404 1.408 20 5 EDBDHO C[NH+]1CCC2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877744 449885663 /nfs/dbraw/zinc/88/56/63/449885663.db2.gz MDVAMONQAXAESQ-OAHLLOKOSA-N 1 3 349.431 1.752 20 5 EDBDHO CN1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000819286054 593748444 /nfs/dbraw/zinc/74/84/44/593748444.db2.gz DUUMDCVVJONAJK-MRXNPFEDSA-N 1 3 336.436 1.244 20 5 EDBDHO C[N@H+](C[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000372416918 156379404 /nfs/dbraw/zinc/37/94/04/156379404.db2.gz SFUPAOLLOIXCSH-AWEZNQCLSA-N 1 3 333.436 1.988 20 5 EDBDHO C[N@@H+](C[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000372416918 156379405 /nfs/dbraw/zinc/37/94/05/156379405.db2.gz SFUPAOLLOIXCSH-AWEZNQCLSA-N 1 3 333.436 1.988 20 5 EDBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CC[NH2+]CC3)o2)c1 ZINC000414874722 447337064 /nfs/dbraw/zinc/33/70/64/447337064.db2.gz YZELLGXNPOXRJE-UHFFFAOYSA-N 1 3 330.388 1.850 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000583626640 326106298 /nfs/dbraw/zinc/10/62/98/326106298.db2.gz ZUASCKKIXNSSLL-INIZCTEOSA-N 1 3 337.424 1.149 20 5 EDBDHO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000574034346 448774740 /nfs/dbraw/zinc/77/47/40/448774740.db2.gz XBSPYYLBAYYIRM-UKRRQHHQSA-N 1 3 335.404 1.575 20 5 EDBDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819390699 593753191 /nfs/dbraw/zinc/75/31/91/593753191.db2.gz SQQQRDTXAPHZTL-QGZVFWFLSA-N 1 3 336.436 1.244 20 5 EDBDHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264926 289301179 /nfs/dbraw/zinc/30/11/79/289301179.db2.gz ZBBSGHLNYYKIIF-RDJZCZTQSA-N 1 3 335.404 1.362 20 5 EDBDHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264926 289301183 /nfs/dbraw/zinc/30/11/83/289301183.db2.gz ZBBSGHLNYYKIIF-RDJZCZTQSA-N 1 3 335.404 1.362 20 5 EDBDHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342105177 445174289 /nfs/dbraw/zinc/17/42/89/445174289.db2.gz NZJRQXRCAJCDOZ-BFHYXJOUSA-N 1 3 332.404 1.983 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430552923 447776720 /nfs/dbraw/zinc/77/67/20/447776720.db2.gz OCDVSRPBOFXZSP-MRXNPFEDSA-N 1 3 336.392 1.649 20 5 EDBDHO O=[N+]([O-])c1cnn(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000601964700 449248448 /nfs/dbraw/zinc/24/84/48/449248448.db2.gz LOBYJTWGXSYINU-KRWDZBQOSA-N 1 3 345.403 1.018 20 5 EDBDHO O=[N+]([O-])c1cnn(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000601964700 449248456 /nfs/dbraw/zinc/24/84/56/449248456.db2.gz LOBYJTWGXSYINU-KRWDZBQOSA-N 1 3 345.403 1.018 20 5 EDBDHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000819055766 593736125 /nfs/dbraw/zinc/73/61/25/593736125.db2.gz YRIMAHUDKZPEKB-YJBOKZPZSA-N 1 3 348.447 1.386 20 5 EDBDHO C[NH+](C)C1CCN(CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819135415 593740881 /nfs/dbraw/zinc/74/08/81/593740881.db2.gz WJUVZESQKJVUPO-QGZVFWFLSA-N 1 3 336.436 1.244 20 5 EDBDHO CN1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000858138562 595710483 /nfs/dbraw/zinc/71/04/83/595710483.db2.gz DOHAXZLHJNEOLY-NUEKZKHPSA-N 1 3 337.420 1.452 20 5 EDBDHO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000563953263 306353207 /nfs/dbraw/zinc/35/32/07/306353207.db2.gz FOEOGYUCOWVFKP-XJKSGUPXSA-N 1 3 335.404 1.575 20 5 EDBDHO CC[NH+](CC)CCO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928199 151199556 /nfs/dbraw/zinc/19/95/56/151199556.db2.gz KNAJPCTXARVBJW-CQSZACIVSA-N 1 3 325.413 1.224 20 5 EDBDHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423451232 446542887 /nfs/dbraw/zinc/54/28/87/446542887.db2.gz IGBDIXFVWOFRJG-XZOAIXRZSA-N 1 3 346.431 1.892 20 5 EDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600682837 449491142 /nfs/dbraw/zinc/49/11/42/449491142.db2.gz QMLPNUWEFRBNCZ-XJKSGUPXSA-N 1 3 344.419 1.832 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000903492269 592184926 /nfs/dbraw/zinc/18/49/26/592184926.db2.gz KWHFKVCXDICGFM-ZHRONYKTSA-N 1 3 333.388 1.868 20 5 EDBDHO Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ncc1[N+](=O)[O-] ZINC000905702003 592615435 /nfs/dbraw/zinc/61/54/35/592615435.db2.gz CCRRXEVAHUUVDD-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ncc1[N+](=O)[O-] ZINC000905702003 592615438 /nfs/dbraw/zinc/61/54/38/592615438.db2.gz CCRRXEVAHUUVDD-GASCZTMLSA-N 1 3 331.420 1.703 20 5 EDBDHO [NH3+]CCC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000565096159 306375381 /nfs/dbraw/zinc/37/53/81/306375381.db2.gz JWEDCKHICLPOSL-UHFFFAOYSA-N 1 3 348.403 1.954 20 5 EDBDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107292 443858689 /nfs/dbraw/zinc/85/86/89/443858689.db2.gz KQGAOEWLLDMEEI-CYBMUJFWSA-N 1 3 335.452 1.854 20 5 EDBDHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342691355 444816424 /nfs/dbraw/zinc/81/64/24/444816424.db2.gz HIANJNQAECJVST-HNNXBMFYSA-N 1 3 337.420 1.608 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864939 445347634 /nfs/dbraw/zinc/34/76/34/445347634.db2.gz ZWLMCNKOKQVONM-VXGBXAGGSA-N 1 3 336.392 1.601 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442773581 446964011 /nfs/dbraw/zinc/96/40/11/446964011.db2.gz XWQATWVQHDVGCT-NWDGAFQWSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1)N(C)C ZINC000443440806 447051885 /nfs/dbraw/zinc/05/18/85/447051885.db2.gz JCMFACIXSKXLHU-UWVGGRQHSA-N 1 3 330.458 1.775 20 5 EDBDHO C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)sc1[N+](=O)[O-])N(C)C ZINC000443440806 447051892 /nfs/dbraw/zinc/05/18/92/447051892.db2.gz JCMFACIXSKXLHU-UWVGGRQHSA-N 1 3 330.458 1.775 20 5 EDBDHO C[C@H](CNc1nc(NC[C@H](C)N(C)C)sc1[N+](=O)[O-])[NH+](C)C ZINC000443440810 447052170 /nfs/dbraw/zinc/05/21/70/447052170.db2.gz JCMFACIXSKXLHU-ZJUUUORDSA-N 1 3 330.458 1.775 20 5 EDBDHO C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)sc1[N+](=O)[O-])N(C)C ZINC000443440810 447052177 /nfs/dbraw/zinc/05/21/77/447052177.db2.gz JCMFACIXSKXLHU-ZJUUUORDSA-N 1 3 330.458 1.775 20 5 EDBDHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787706 448025039 /nfs/dbraw/zinc/02/50/39/448025039.db2.gz WYKARWHWOASPMH-INIZCTEOSA-N 1 3 339.440 1.204 20 5 EDBDHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525787706 448025044 /nfs/dbraw/zinc/02/50/44/448025044.db2.gz WYKARWHWOASPMH-INIZCTEOSA-N 1 3 339.440 1.204 20 5 EDBDHO CN(C)Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582464995 448243779 /nfs/dbraw/zinc/24/37/79/448243779.db2.gz ILUXUTWNRHJRKO-MRXNPFEDSA-N 1 3 333.392 1.004 20 5 EDBDHO CN(C)CCC[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596425663 449497456 /nfs/dbraw/zinc/49/74/56/449497456.db2.gz UCZCTYZSGPARRW-UHFFFAOYSA-N 1 3 331.420 2.438 20 5 EDBDHO CN(C)CCC[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596425663 449497463 /nfs/dbraw/zinc/49/74/63/449497463.db2.gz UCZCTYZSGPARRW-UHFFFAOYSA-N 1 3 331.420 2.438 20 5 EDBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000819083798 593737816 /nfs/dbraw/zinc/73/78/16/593737816.db2.gz FXUGBPXRWAUCIP-RDTXWAMCSA-N 1 3 349.431 1.719 20 5 EDBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000819172360 593742558 /nfs/dbraw/zinc/74/25/58/593742558.db2.gz DKAFZWRPQDOOJG-OKZBNKHCSA-N 1 3 349.431 1.596 20 5 EDBDHO CC[NH+](CC)CCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350064545 445760083 /nfs/dbraw/zinc/76/00/83/445760083.db2.gz BLZPERFICWQYAH-UHFFFAOYSA-N 1 3 339.440 1.614 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442773580 446963910 /nfs/dbraw/zinc/96/39/10/446963910.db2.gz XWQATWVQHDVGCT-NEPJUHHUSA-N 1 3 336.392 1.601 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855347148 595682084 /nfs/dbraw/zinc/68/20/84/595682084.db2.gz VNPISAVRPIFNOR-LBPRGKRZSA-N 1 3 337.424 1.179 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855347148 595682087 /nfs/dbraw/zinc/68/20/87/595682087.db2.gz VNPISAVRPIFNOR-LBPRGKRZSA-N 1 3 337.424 1.179 20 5 EDBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCN(C)CC1 ZINC000866270925 596843482 /nfs/dbraw/zinc/84/34/82/596843482.db2.gz YDDDYOAOTXVYGV-GFCCVEGCSA-N 1 3 325.384 1.711 20 5 EDBDHO [NH3+]CCNC(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347127167 143285687 /nfs/dbraw/zinc/28/56/87/143285687.db2.gz YRGDAVYWEKOQJC-BYPUDFOVSA-N 1 3 332.404 1.395 20 5 EDBDHO C[C@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032459 304883524 /nfs/dbraw/zinc/88/35/24/304883524.db2.gz FJVZGFOOONVFFH-GFCCVEGCSA-N 1 3 329.422 1.476 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000532033509 305971866 /nfs/dbraw/zinc/97/18/66/305971866.db2.gz DGDGSONTSHHZNY-UHFFFAOYSA-N 1 3 336.436 1.479 20 5 EDBDHO C[C@@H](CN(C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000343787053 444590838 /nfs/dbraw/zinc/59/08/38/444590838.db2.gz HPAIIDNSZKAAMO-UWVGGRQHSA-N 1 3 330.458 1.775 20 5 EDBDHO C[C@@H](CN(C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)sc1[N+](=O)[O-] ZINC000343787053 444590841 /nfs/dbraw/zinc/59/08/41/444590841.db2.gz HPAIIDNSZKAAMO-UWVGGRQHSA-N 1 3 330.458 1.775 20 5 EDBDHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942773 449152544 /nfs/dbraw/zinc/15/25/44/449152544.db2.gz OHFLYBPFYDRBDJ-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1[N+](=O)[O-] ZINC000597942773 449152548 /nfs/dbraw/zinc/15/25/48/449152548.db2.gz OHFLYBPFYDRBDJ-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819391372 593753189 /nfs/dbraw/zinc/75/31/89/593753189.db2.gz YNOODKVIWLBTIK-KRWDZBQOSA-N 1 3 336.436 1.244 20 5 EDBDHO CN1CC[NH+](C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000877746386 597552633 /nfs/dbraw/zinc/55/26/33/597552633.db2.gz NMKGRQKKTYMMTN-UHFFFAOYSA-N 1 3 332.448 1.849 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000430215578 305047707 /nfs/dbraw/zinc/04/77/07/305047707.db2.gz FEKQASWAOUKQMA-UHFFFAOYSA-N 1 3 336.436 1.673 20 5 EDBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420327651 446495634 /nfs/dbraw/zinc/49/56/34/446495634.db2.gz GTGCFHPEVHPARG-SJORKVTESA-N 1 3 335.404 1.802 20 5 EDBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593449868 449290009 /nfs/dbraw/zinc/29/00/09/449290009.db2.gz AMGGZLPBEWMYTF-UHFFFAOYSA-N 1 3 340.399 1.228 20 5 EDBDHO CN1CCN(CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749674327 579734472 /nfs/dbraw/zinc/73/44/72/579734472.db2.gz WOSGCGBGXQNVJE-QGZVFWFLSA-N 1 3 336.436 1.245 20 5 EDBDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284323444 274161038 /nfs/dbraw/zinc/16/10/38/274161038.db2.gz ZXMNYCJISHNHMR-CYBMUJFWSA-N 1 3 335.452 1.854 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246576821 275042020 /nfs/dbraw/zinc/04/20/20/275042020.db2.gz LRBPKWQQDWQFRV-XKQJLSEDSA-N 1 3 349.435 1.101 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246576821 275042021 /nfs/dbraw/zinc/04/20/21/275042021.db2.gz LRBPKWQQDWQFRV-XKQJLSEDSA-N 1 3 349.435 1.101 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502009 446107228 /nfs/dbraw/zinc/10/72/28/446107228.db2.gz YSPFNIDJISZZAP-FPMFFAJLSA-N 1 3 348.403 1.601 20 5 EDBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815560083 593642599 /nfs/dbraw/zinc/64/25/99/593642599.db2.gz XRQKKVZBQIFRQJ-KBPBESRZSA-N 1 3 335.452 1.854 20 5 EDBDHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000819287661 593748435 /nfs/dbraw/zinc/74/84/35/593748435.db2.gz QKOLGXUPSFZQAJ-INIZCTEOSA-N 1 3 336.436 1.244 20 5 EDBDHO Cn1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000332173533 141135173 /nfs/dbraw/zinc/13/51/73/141135173.db2.gz TXTXCUXYWRRMJE-UHFFFAOYSA-N 1 3 349.435 1.222 20 5 EDBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351863737 445347345 /nfs/dbraw/zinc/34/73/45/445347345.db2.gz UUFQZSMHOGMAHN-NEPJUHHUSA-N 1 3 336.392 1.601 20 5 EDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474417 446075142 /nfs/dbraw/zinc/07/51/42/446075142.db2.gz GAJYKDMYMMIHIA-QEJZJMRPSA-N 1 3 332.404 1.901 20 5 EDBDHO COC(=O)COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281644 448304707 /nfs/dbraw/zinc/30/47/07/448304707.db2.gz HQUUAECNPKCDSM-HNNXBMFYSA-N 1 3 349.387 1.378 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596363653 449482811 /nfs/dbraw/zinc/48/28/11/449482811.db2.gz UNYVACVPCUGVLP-LBPRGKRZSA-N 1 3 337.424 1.378 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596363653 449482817 /nfs/dbraw/zinc/48/28/17/449482817.db2.gz UNYVACVPCUGVLP-LBPRGKRZSA-N 1 3 337.424 1.378 20 5 EDBDHO CN1CCC(N2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602548572 449666742 /nfs/dbraw/zinc/66/67/42/449666742.db2.gz NBPXBYRDGYCNEN-INIZCTEOSA-N 1 3 332.448 1.895 20 5 EDBDHO CC(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044828 590632552 /nfs/dbraw/zinc/63/25/52/590632552.db2.gz OMCCTLGALAXQPV-QGPMSJSTSA-N 1 3 348.399 1.734 20 5 EDBDHO CC(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044828 590632557 /nfs/dbraw/zinc/63/25/57/590632557.db2.gz OMCCTLGALAXQPV-QGPMSJSTSA-N 1 3 348.399 1.734 20 5 EDBDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559068 593642623 /nfs/dbraw/zinc/64/26/23/593642623.db2.gz WOLDVXRRXVTAAM-CQSZACIVSA-N 1 3 335.452 1.855 20 5 EDBDHO CCOc1ccc([C@H](C)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423179286 252043530 /nfs/dbraw/zinc/04/35/30/252043530.db2.gz LQMZMZSEYGIMJM-AWEZNQCLSA-N 1 3 336.436 1.939 20 5 EDBDHO [NH3+]CCNC(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347127179 143285545 /nfs/dbraw/zinc/28/55/45/143285545.db2.gz YRGDAVYWEKOQJC-VFQAQYNWSA-N 1 3 332.404 1.395 20 5 EDBDHO C[C@H](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000583139656 326009929 /nfs/dbraw/zinc/00/99/29/326009929.db2.gz AQCJXDPCAVTRMV-UKRRQHHQSA-N 1 3 325.413 1.006 20 5 EDBDHO C[C@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000583139656 326009931 /nfs/dbraw/zinc/00/99/31/326009931.db2.gz AQCJXDPCAVTRMV-UKRRQHHQSA-N 1 3 325.413 1.006 20 5 EDBDHO [NH3+]Cc1cn([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368986 446548917 /nfs/dbraw/zinc/54/89/17/446548917.db2.gz BBQAXPWKKCGRKJ-OAHLLOKOSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368986 446548926 /nfs/dbraw/zinc/54/89/26/446548926.db2.gz BBQAXPWKKCGRKJ-OAHLLOKOSA-N 1 3 346.391 1.361 20 5 EDBDHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000420368986 446548935 /nfs/dbraw/zinc/54/89/35/446548935.db2.gz BBQAXPWKKCGRKJ-OAHLLOKOSA-N 1 3 346.391 1.361 20 5 EDBDHO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523305520 447877382 /nfs/dbraw/zinc/87/73/82/447877382.db2.gz OWUPOKSNAFJKRK-UHFFFAOYSA-N 1 3 349.435 1.222 20 5 EDBDHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000436064290 305151979 /nfs/dbraw/zinc/15/19/79/305151979.db2.gz MRUQWUZAMIPYOP-MRXNPFEDSA-N 1 3 334.420 1.457 20 5 EDBDHO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193610689 442759403 /nfs/dbraw/zinc/75/94/03/442759403.db2.gz XNOIMUPKAASJTM-BETUJISGSA-N 1 3 348.403 1.425 20 5 EDBDHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193610689 442759405 /nfs/dbraw/zinc/75/94/05/442759405.db2.gz XNOIMUPKAASJTM-BETUJISGSA-N 1 3 348.403 1.425 20 5 EDBDHO NCc1cn([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385524 446560436 /nfs/dbraw/zinc/56/04/36/446560436.db2.gz SYSFLFMLASXWAD-MRXNPFEDSA-N 1 3 330.392 1.525 20 5 EDBDHO NCc1cn([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420385524 446560440 /nfs/dbraw/zinc/56/04/40/446560440.db2.gz SYSFLFMLASXWAD-MRXNPFEDSA-N 1 3 330.392 1.525 20 5 EDBDHO CC1(C)CC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000576540547 448080195 /nfs/dbraw/zinc/08/01/95/448080195.db2.gz NLJHOJXQPCCONL-ZDUSSCGKSA-N 1 3 325.413 1.051 20 5 EDBDHO CC1(C)CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)N1 ZINC000576540547 448080203 /nfs/dbraw/zinc/08/02/03/448080203.db2.gz NLJHOJXQPCCONL-ZDUSSCGKSA-N 1 3 325.413 1.051 20 5 EDBDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000903491849 592184889 /nfs/dbraw/zinc/18/48/89/592184889.db2.gz CZYSGNSQDCNTTR-VBQJREDUSA-N 1 3 333.388 1.616 20 5 EDBDHO O=[N+]([O-])c1ccn(C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903757185 592314702 /nfs/dbraw/zinc/31/47/02/592314702.db2.gz ZHSHTXUTFVTWRI-GDBMZVCRSA-N 1 3 335.408 1.197 20 5 EDBDHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000576749631 448131419 /nfs/dbraw/zinc/13/14/19/448131419.db2.gz UWXINIFFIFTWAY-CABCVRRESA-N 1 3 337.420 1.656 20 5 EDBDHO Cc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597942297 449152663 /nfs/dbraw/zinc/15/26/63/449152663.db2.gz LGCIFDVYQMPSJQ-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO Cc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000597942297 449152664 /nfs/dbraw/zinc/15/26/64/449152664.db2.gz LGCIFDVYQMPSJQ-AWEZNQCLSA-N 1 3 336.436 1.905 20 5 EDBDHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000593735017 449169478 /nfs/dbraw/zinc/16/94/78/449169478.db2.gz UJYWTPDGNVPETL-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000593735017 449169479 /nfs/dbraw/zinc/16/94/79/449169479.db2.gz UJYWTPDGNVPETL-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000593735017 449169483 /nfs/dbraw/zinc/16/94/83/449169483.db2.gz UJYWTPDGNVPETL-GUYCJALGSA-N 1 3 332.404 1.984 20 5 EDBDHO O=[N+]([O-])c1ccc(N2CCC(NC[C@@H](O)C[NH+]3CCCC3)CC2)cn1 ZINC000602529877 449653202 /nfs/dbraw/zinc/65/32/02/449653202.db2.gz VZWAOHOZRXOJKB-MRXNPFEDSA-N 1 3 349.435 1.005 20 5 EDBDHO Nc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c([N+](=O)[O-])c1 ZINC000905703027 592616490 /nfs/dbraw/zinc/61/64/90/592616490.db2.gz JYCPPKPZTGWSJA-GASCZTMLSA-N 1 3 331.420 1.582 20 5 EDBDHO Nc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c([N+](=O)[O-])c1 ZINC000905703027 592616492 /nfs/dbraw/zinc/61/64/92/592616492.db2.gz JYCPPKPZTGWSJA-GASCZTMLSA-N 1 3 331.420 1.582 20 5 EDBDHO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC([NH3+])CC1 ZINC000843354701 595085765 /nfs/dbraw/zinc/08/57/65/595085765.db2.gz CXIOQNJFGJZLJI-UHFFFAOYSA-N 1 3 332.404 1.686 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246576830 139113611 /nfs/dbraw/zinc/11/36/11/139113611.db2.gz LRBPKWQQDWQFRV-XYPHTWIQSA-N 1 3 349.435 1.101 20 5 EDBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246576830 139113612 /nfs/dbraw/zinc/11/36/12/139113612.db2.gz LRBPKWQQDWQFRV-XYPHTWIQSA-N 1 3 349.435 1.101 20 5 EDBDHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264921 289301626 /nfs/dbraw/zinc/30/16/26/289301626.db2.gz ZBBSGHLNYYKIIF-DOTOQJQBSA-N 1 3 335.404 1.362 20 5 EDBDHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292264921 289301630 /nfs/dbraw/zinc/30/16/30/289301630.db2.gz ZBBSGHLNYYKIIF-DOTOQJQBSA-N 1 3 335.404 1.362 20 5 EDBDHO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435620303 305143687 /nfs/dbraw/zinc/14/36/87/305143687.db2.gz AYLAEYHMZUQSBU-CYBMUJFWSA-N 1 3 348.403 1.967 20 5 EDBDHO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCNCC1 ZINC000435620303 305143688 /nfs/dbraw/zinc/14/36/88/305143688.db2.gz AYLAEYHMZUQSBU-CYBMUJFWSA-N 1 3 348.403 1.967 20 5 EDBDHO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCCNCC1 ZINC000435620303 305143689 /nfs/dbraw/zinc/14/36/89/305143689.db2.gz AYLAEYHMZUQSBU-CYBMUJFWSA-N 1 3 348.403 1.967 20 5 EDBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000420297033 446459519 /nfs/dbraw/zinc/45/95/19/446459519.db2.gz YEYOTIZCBUPGDH-MRXNPFEDSA-N 1 3 336.392 1.649 20 5 EDBDHO NC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000592493532 448862163 /nfs/dbraw/zinc/86/21/63/448862163.db2.gz UKNJUMVAABFSBL-HUUCEWRRSA-N 1 3 346.431 1.905 20 5 EDBDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596449393 449508156 /nfs/dbraw/zinc/50/81/56/449508156.db2.gz HSHCGADCDDDYHY-ZDUSSCGKSA-N 1 3 337.424 1.988 20 5 EDBDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596449393 449508164 /nfs/dbraw/zinc/50/81/64/449508164.db2.gz HSHCGADCDDDYHY-ZDUSSCGKSA-N 1 3 337.424 1.988 20 5 EDBDHO