smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000055428170 205218992 /nfs/dbraw/zinc/21/89/92/205218992.db2.gz SEAXFCHRQRVESK-IBGZPJMESA-N 1 1 368.437 2.912 50 5 FFBAMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000055428170 205218995 /nfs/dbraw/zinc/21/89/95/205218995.db2.gz SEAXFCHRQRVESK-IBGZPJMESA-N 1 1 368.437 2.912 50 5 FFBAMO C[C@H](CNC(=O)OC(C)(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225388743 132284287 /nfs/dbraw/zinc/28/42/87/132284287.db2.gz ITRHXZXQXQJAKR-CQSZACIVSA-N 1 1 364.446 2.630 50 5 FFBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000005022461 204185194 /nfs/dbraw/zinc/18/51/94/204185194.db2.gz HOFJQZTUSVUOPF-UHFFFAOYSA-N 1 1 353.422 2.985 50 5 FFBAMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012998585 206298861 /nfs/dbraw/zinc/29/88/61/206298861.db2.gz NYSGUBCWDDWGBP-UHFFFAOYSA-N 1 1 369.421 2.665 50 5 FFBAMO Cc1nn(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000023701057 962000552 /nfs/dbraw/zinc/00/05/52/962000552.db2.gz UZXXFWAROSLTPZ-RMKNXTFCSA-N 1 1 355.442 2.697 50 5 FFBAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013476355 206302683 /nfs/dbraw/zinc/30/26/83/206302683.db2.gz SHTNUFSFJPNNMA-DOMZBBRYSA-N 1 1 363.370 2.924 50 5 FFBAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000032753424 506290266 /nfs/dbraw/zinc/29/02/66/506290266.db2.gz DUTXEASAYWFFQV-LBPRGKRZSA-N 1 1 373.413 2.506 50 5 FFBAMO Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000019857346 507204180 /nfs/dbraw/zinc/20/41/80/507204180.db2.gz XWPCNLVACVSODG-UHFFFAOYSA-N 1 1 358.782 2.599 50 5 FFBAMO COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])[NH2+]CC2 ZINC000022204806 507282272 /nfs/dbraw/zinc/28/22/72/507282272.db2.gz BPZRORNUZRKVSV-IBGZPJMESA-N 1 1 374.393 2.864 50 5 FFBAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810595 206233416 /nfs/dbraw/zinc/23/34/16/206233416.db2.gz XZLSFBUSSPXDLM-OCCSQVGLSA-N 1 1 374.397 2.981 50 5 FFBAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810595 206233420 /nfs/dbraw/zinc/23/34/20/206233420.db2.gz XZLSFBUSSPXDLM-OCCSQVGLSA-N 1 1 374.397 2.981 50 5 FFBAMO CC(C)CCNC(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048253862 570940598 /nfs/dbraw/zinc/94/05/98/570940598.db2.gz JPMGSZUCOHXQCG-UHFFFAOYSA-N 1 1 373.457 2.776 50 5 FFBAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)cccc1[N+](=O)[O-] ZINC000058167528 205252517 /nfs/dbraw/zinc/25/25/17/205252517.db2.gz HPLOFAJWRRHXMX-CYBMUJFWSA-N 1 1 361.427 2.605 50 5 FFBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013943424 506957304 /nfs/dbraw/zinc/95/73/04/506957304.db2.gz OKVDJTNLUZMAGF-MDZDMXLPSA-N 1 1 351.406 2.952 50 5 FFBAMO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000052429111 205185788 /nfs/dbraw/zinc/18/57/88/205185788.db2.gz QKXNWBPNDBKIJY-UHFFFAOYSA-N 1 1 372.381 2.947 50 5 FFBAMO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000025372755 132913803 /nfs/dbraw/zinc/91/38/03/132913803.db2.gz ICWWIWJNJZDKIS-UHFFFAOYSA-N 1 1 357.410 2.934 50 5 FFBAMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045809530 206079506 /nfs/dbraw/zinc/07/95/06/206079506.db2.gz IIVSGGGNFGENKZ-CQSZACIVSA-N 1 1 369.468 2.546 50 5 FFBAMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000001307397 506258515 /nfs/dbraw/zinc/25/85/15/506258515.db2.gz OPZYKJXPYQSPLO-XBGMYJNYSA-N 1 1 367.449 2.959 50 5 FFBAMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000001307397 506258520 /nfs/dbraw/zinc/25/85/20/506258520.db2.gz OPZYKJXPYQSPLO-XBGMYJNYSA-N 1 1 367.449 2.959 50 5 FFBAMO CCCCOC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000019286097 507163039 /nfs/dbraw/zinc/16/30/39/507163039.db2.gz FDXAGIZWXPMQSZ-OAHLLOKOSA-N 1 1 371.865 2.548 50 5 FFBAMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000060564925 136132363 /nfs/dbraw/zinc/13/23/63/136132363.db2.gz GINWAUVOJZSGLN-UHFFFAOYSA-N 1 1 357.385 2.991 50 5 FFBAMO COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c1 ZINC000004978280 506411408 /nfs/dbraw/zinc/41/14/08/506411408.db2.gz CUWVPDCPBIMKTB-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000072012134 507734392 /nfs/dbraw/zinc/73/43/92/507734392.db2.gz WYOYVGQTNIGPEY-UHFFFAOYSA-N 1 1 365.336 2.860 50 5 FFBAMO Cc1c(CC(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000328591902 511888728 /nfs/dbraw/zinc/88/87/28/511888728.db2.gz SBKLSUPCYQRZCK-UHFFFAOYSA-N 1 1 370.453 2.821 50 5 FFBAMO O=C(CC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000048272103 570939805 /nfs/dbraw/zinc/93/98/05/570939805.db2.gz GBZCNUKQYPJUOM-UHFFFAOYSA-N 1 1 371.441 2.627 50 5 FFBAMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)Cc2ccccc2)CC1 ZINC000005048970 506417498 /nfs/dbraw/zinc/41/74/98/506417498.db2.gz AXUPWEWVMWMSJE-UHFFFAOYSA-N 1 1 354.410 2.528 50 5 FFBAMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000031964418 507822589 /nfs/dbraw/zinc/82/25/89/507822589.db2.gz VAVCJTHAPOWNMK-CYBMUJFWSA-N 1 1 359.451 2.762 50 5 FFBAMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000031964418 507822590 /nfs/dbraw/zinc/82/25/90/507822590.db2.gz VAVCJTHAPOWNMK-CYBMUJFWSA-N 1 1 359.451 2.762 50 5 FFBAMO O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCCC[NH+]1CCOCC1 ZINC000096193722 508210205 /nfs/dbraw/zinc/21/02/05/508210205.db2.gz SBEYZNYPEQFDBZ-UHFFFAOYSA-N 1 1 350.806 2.931 50 5 FFBAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402203 507038243 /nfs/dbraw/zinc/03/82/43/507038243.db2.gz XZLSFBUSSPXDLM-JSGCOSHPSA-N 1 1 374.397 2.981 50 5 FFBAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402203 507038250 /nfs/dbraw/zinc/03/82/50/507038250.db2.gz XZLSFBUSSPXDLM-JSGCOSHPSA-N 1 1 374.397 2.981 50 5 FFBAMO COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)[NH2+]CC2 ZINC000022204771 507283250 /nfs/dbraw/zinc/28/32/50/507283250.db2.gz DDEZIWSQYMTURV-SFHVURJKSA-N 1 1 358.350 2.576 50 5 FFBAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013476353 506943828 /nfs/dbraw/zinc/94/38/28/506943828.db2.gz SHTNUFSFJPNNMA-WFASDCNBSA-N 1 1 363.370 2.924 50 5 FFBAMO COc1ccc(OC)c2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000052561535 507813884 /nfs/dbraw/zinc/81/38/84/507813884.db2.gz AIAGFMJWJZZASO-INIZCTEOSA-N 1 1 358.394 2.704 50 5 FFBAMO COc1ccc(OC)c2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]2O ZINC000052561535 507813886 /nfs/dbraw/zinc/81/38/86/507813886.db2.gz AIAGFMJWJZZASO-INIZCTEOSA-N 1 1 358.394 2.704 50 5 FFBAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000032753423 208039271 /nfs/dbraw/zinc/03/92/71/208039271.db2.gz DUTXEASAYWFFQV-GFCCVEGCSA-N 1 1 373.413 2.506 50 5 FFBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000040074365 506463328 /nfs/dbraw/zinc/46/33/28/506463328.db2.gz URCKYKZYHABBOJ-NSHDSACASA-N 1 1 360.439 2.536 50 5 FFBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000040074365 506463335 /nfs/dbraw/zinc/46/33/35/506463335.db2.gz URCKYKZYHABBOJ-NSHDSACASA-N 1 1 360.439 2.536 50 5 FFBAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)C[C@H](C)O1 ZINC000040087724 506465215 /nfs/dbraw/zinc/46/52/15/506465215.db2.gz HFULFTGERPYOLH-OKILXGFUSA-N 1 1 373.409 2.727 50 5 FFBAMO COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])[NH2+]CC2 ZINC000022204804 507282726 /nfs/dbraw/zinc/28/27/26/507282726.db2.gz BPZRORNUZRKVSV-LJQANCHMSA-N 1 1 374.393 2.864 50 5 FFBAMO CN1CC[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000229555620 509426080 /nfs/dbraw/zinc/42/60/80/509426080.db2.gz KMJRGIFWQPGJOH-GOSISDBHSA-N 1 1 355.442 2.781 50 5 FFBAMO C[N@@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000229555620 509426088 /nfs/dbraw/zinc/42/60/88/509426088.db2.gz KMJRGIFWQPGJOH-GOSISDBHSA-N 1 1 355.442 2.781 50 5 FFBAMO Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000022145908 961871987 /nfs/dbraw/zinc/87/19/87/961871987.db2.gz ZPEDNVBFBBLLQD-UHFFFAOYSA-N 1 1 373.409 2.615 50 5 FFBAMO CC1CCC(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000012814097 506906738 /nfs/dbraw/zinc/90/67/38/506906738.db2.gz UEHKJFGYPJWPTM-UHFFFAOYSA-N 1 1 360.458 2.655 50 5 FFBAMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058009338 507363328 /nfs/dbraw/zinc/36/33/28/507363328.db2.gz LLTDYGFWKHMCDG-UHFFFAOYSA-N 1 1 363.439 2.660 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908494 207060829 /nfs/dbraw/zinc/06/08/29/207060829.db2.gz QOCHASNCRCUSRF-YVACAVLKSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908494 207060831 /nfs/dbraw/zinc/06/08/31/207060831.db2.gz QOCHASNCRCUSRF-YVACAVLKSA-N 1 1 370.434 2.839 50 5 FFBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000040074364 207953827 /nfs/dbraw/zinc/95/38/27/207953827.db2.gz URCKYKZYHABBOJ-LLVKDONJSA-N 1 1 360.439 2.536 50 5 FFBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000040074364 207953833 /nfs/dbraw/zinc/95/38/33/207953833.db2.gz URCKYKZYHABBOJ-LLVKDONJSA-N 1 1 360.439 2.536 50 5 FFBAMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000054991936 506656556 /nfs/dbraw/zinc/65/65/56/506656556.db2.gz VNXZLPUNMNWAEF-UHFFFAOYSA-N 1 1 367.471 2.624 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583249 506945330 /nfs/dbraw/zinc/94/53/30/506945330.db2.gz ITPYIYQYRMPSCP-XHPSBEMXSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583249 506945336 /nfs/dbraw/zinc/94/53/36/506945336.db2.gz ITPYIYQYRMPSCP-XHPSBEMXSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583252 506945570 /nfs/dbraw/zinc/94/55/70/506945570.db2.gz ITPYIYQYRMPSCP-IDTUSYRASA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000013583252 506945573 /nfs/dbraw/zinc/94/55/73/506945573.db2.gz ITPYIYQYRMPSCP-IDTUSYRASA-N 1 1 370.434 2.839 50 5 FFBAMO Cc1c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000024193295 507397250 /nfs/dbraw/zinc/39/72/50/507397250.db2.gz SGVFHTPTEDYHRJ-UHFFFAOYSA-N 1 1 369.421 2.665 50 5 FFBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000023280591 507343859 /nfs/dbraw/zinc/34/38/59/507343859.db2.gz PCWAJIXBVMUSEX-UHFFFAOYSA-N 1 1 365.393 2.967 50 5 FFBAMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012607168 220013002 /nfs/dbraw/zinc/01/30/02/220013002.db2.gz FLQJYCVYRJBBMN-QGZVFWFLSA-N 1 1 368.437 2.788 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854421 506398390 /nfs/dbraw/zinc/39/83/90/506398390.db2.gz PXRUSSQOZFNDPD-QZDDGCDVSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854421 506398400 /nfs/dbraw/zinc/39/84/00/506398400.db2.gz PXRUSSQOZFNDPD-QZDDGCDVSA-N 1 1 370.434 2.839 50 5 FFBAMO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000012998583 220050617 /nfs/dbraw/zinc/05/06/17/220050617.db2.gz GDLOHTHJHUBNTJ-UHFFFAOYSA-N 1 1 369.421 2.665 50 5 FFBAMO CC(C)CC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002499791 506281960 /nfs/dbraw/zinc/28/19/60/506281960.db2.gz RENPMYHAIUXDND-UHFFFAOYSA-N 1 1 369.487 2.726 50 5 FFBAMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911536 506311048 /nfs/dbraw/zinc/31/10/48/506311048.db2.gz OFLOAZQWTOVEKI-QGZVFWFLSA-N 1 1 369.421 2.754 50 5 FFBAMO C[NH+](C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688228 506453680 /nfs/dbraw/zinc/45/36/80/506453680.db2.gz RWNDXGYKQFIYPY-KRWDZBQOSA-N 1 1 363.439 2.713 50 5 FFBAMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000040074368 506463256 /nfs/dbraw/zinc/46/32/56/506463256.db2.gz KLDSQJWSAZSEIY-ZDUSSCGKSA-N 1 1 359.451 2.762 50 5 FFBAMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000040074368 506463258 /nfs/dbraw/zinc/46/32/58/506463258.db2.gz KLDSQJWSAZSEIY-ZDUSSCGKSA-N 1 1 359.451 2.762 50 5 FFBAMO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000004977823 506411032 /nfs/dbraw/zinc/41/10/32/506411032.db2.gz GERMEDWQKFHKOX-UHFFFAOYSA-N 1 1 371.437 2.930 50 5 FFBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000018174776 211194564 /nfs/dbraw/zinc/19/45/64/211194564.db2.gz ZHHVBFFEHIVJHQ-UHFFFAOYSA-N 1 1 370.409 2.749 50 5 FFBAMO C[NH+]1CCN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])CC1 ZINC000004263727 506367742 /nfs/dbraw/zinc/36/77/42/506367742.db2.gz IVPOUSHRTVIOIG-UHFFFAOYSA-N 1 1 364.405 2.651 50 5 FFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002765122 506292065 /nfs/dbraw/zinc/29/20/65/506292065.db2.gz PPTOJJGTSJGPCY-UHFFFAOYSA-N 1 1 355.394 2.990 50 5 FFBAMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911538 506310554 /nfs/dbraw/zinc/31/05/54/506310554.db2.gz OFLOAZQWTOVEKI-KRWDZBQOSA-N 1 1 369.421 2.754 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854423 506399382 /nfs/dbraw/zinc/39/93/82/506399382.db2.gz PXRUSSQOZFNDPD-IJVDHGTGSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004854423 506399386 /nfs/dbraw/zinc/39/93/86/506399386.db2.gz PXRUSSQOZFNDPD-IJVDHGTGSA-N 1 1 370.434 2.839 50 5 FFBAMO COc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000053666712 506423880 /nfs/dbraw/zinc/42/38/80/506423880.db2.gz SJSOACCGNLCIJQ-UHFFFAOYSA-N 1 1 369.421 2.604 50 5 FFBAMO COc1ccc(OCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000078283037 507855765 /nfs/dbraw/zinc/85/57/65/507855765.db2.gz FGXDHFITCBVAJO-UHFFFAOYSA-N 1 1 357.410 2.804 50 5 FFBAMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012607170 220013230 /nfs/dbraw/zinc/01/32/30/220013230.db2.gz FLQJYCVYRJBBMN-KRWDZBQOSA-N 1 1 368.437 2.788 50 5 FFBAMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019760041 211254753 /nfs/dbraw/zinc/25/47/53/211254753.db2.gz HTIQHFZBHHKVPJ-DHZHZOJOSA-N 1 1 351.406 2.952 50 5 FFBAMO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000055543843 136126921 /nfs/dbraw/zinc/12/69/21/136126921.db2.gz IPILBYTZNFRPGJ-UHFFFAOYSA-N 1 1 357.410 2.934 50 5 FFBAMO O=C1C[C@H](c2ccccc2)[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000052836907 506259455 /nfs/dbraw/zinc/25/94/55/506259455.db2.gz JZVNSHHLWRYDDP-QGZVFWFLSA-N 1 1 355.394 2.537 50 5 FFBAMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866092 506268760 /nfs/dbraw/zinc/26/87/60/506268760.db2.gz KBXGXWOCWASPKU-GOSISDBHSA-N 1 1 369.421 2.875 50 5 FFBAMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866092 506268766 /nfs/dbraw/zinc/26/87/66/506268766.db2.gz KBXGXWOCWASPKU-GOSISDBHSA-N 1 1 369.421 2.875 50 5 FFBAMO Cn1cnc([N+](=O)[O-])c1N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012627514 506886098 /nfs/dbraw/zinc/88/60/98/506886098.db2.gz UGXOQKAZSRIHTO-UHFFFAOYSA-N 1 1 372.816 2.857 50 5 FFBAMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000040105768 136119327 /nfs/dbraw/zinc/11/93/27/136119327.db2.gz ROGXODCLYFPZEH-UHFFFAOYSA-N 1 1 371.437 2.942 50 5 FFBAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000040089799 506466299 /nfs/dbraw/zinc/46/62/99/506466299.db2.gz AZSUKKRXOXBSSW-UHFFFAOYSA-N 1 1 368.437 2.985 50 5 FFBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000079099629 522976095 /nfs/dbraw/zinc/97/60/95/522976095.db2.gz LIPFEYKCIXXPRF-ZDUSSCGKSA-N 1 1 373.409 2.811 50 5 FFBAMO COCC[N@@H+](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000058305092 221113477 /nfs/dbraw/zinc/11/34/77/221113477.db2.gz NZYDSXWKXMTOMK-UHFFFAOYSA-N 1 1 372.425 2.646 50 5 FFBAMO COC(=O)c1ccc(C[N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032824943 506299783 /nfs/dbraw/zinc/29/97/83/506299783.db2.gz FRCLKZGMZKPUMW-UHFFFAOYSA-N 1 1 354.366 2.821 50 5 FFBAMO COC(=O)c1ccc(C[N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032824943 506299791 /nfs/dbraw/zinc/29/97/91/506299791.db2.gz FRCLKZGMZKPUMW-UHFFFAOYSA-N 1 1 354.366 2.821 50 5 FFBAMO Cc1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1 ZINC000004997416 506413063 /nfs/dbraw/zinc/41/30/63/506413063.db2.gz QGVHRBIKUNCXEQ-UHFFFAOYSA-N 1 1 354.410 2.907 50 5 FFBAMO COc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000019721049 220292184 /nfs/dbraw/zinc/29/21/84/220292184.db2.gz GDPMYPWHWDESKX-UHFFFAOYSA-N 1 1 362.382 2.919 50 5 FFBAMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000055897843 221075757 /nfs/dbraw/zinc/07/57/57/221075757.db2.gz OFTOGCMJVGPFJZ-UHFFFAOYSA-N 1 1 368.393 2.732 50 5 FFBAMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000055897843 221075759 /nfs/dbraw/zinc/07/57/59/221075759.db2.gz OFTOGCMJVGPFJZ-UHFFFAOYSA-N 1 1 368.393 2.732 50 5 FFBAMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045809525 507024911 /nfs/dbraw/zinc/02/49/11/507024911.db2.gz IIVSGGGNFGENKZ-AWEZNQCLSA-N 1 1 369.468 2.546 50 5 FFBAMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000055543172 136127031 /nfs/dbraw/zinc/12/70/31/136127031.db2.gz CBJDCNBQAKGPGB-UHFFFAOYSA-N 1 1 357.410 2.934 50 5 FFBAMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000004750538 506393822 /nfs/dbraw/zinc/39/38/22/506393822.db2.gz XAASGHUVBZPOLC-UHFFFAOYSA-N 1 1 354.410 2.987 50 5 FFBAMO CNc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027569366 507666043 /nfs/dbraw/zinc/66/60/43/507666043.db2.gz SCFUPTXDYUCQLL-KRWDZBQOSA-N 1 1 372.425 2.678 50 5 FFBAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000229657174 509427285 /nfs/dbraw/zinc/42/72/85/509427285.db2.gz HPGJFSQSGOEBLG-CKEIUWERSA-N 1 1 362.430 2.700 50 5 FFBAMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C2CCCCCC2)CC1 ZINC000054992020 221056388 /nfs/dbraw/zinc/05/63/88/221056388.db2.gz WGDVRUYLGHFKSJ-UHFFFAOYSA-N 1 1 367.471 2.624 50 5 FFBAMO CCOCC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1CC ZINC000089949234 132200928 /nfs/dbraw/zinc/20/09/28/132200928.db2.gz RNSPHRXIZOVOLO-ZDUSSCGKSA-N 1 1 355.410 2.680 50 5 FFBAMO CCOCC[N@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1CC ZINC000089949234 132200930 /nfs/dbraw/zinc/20/09/30/132200930.db2.gz RNSPHRXIZOVOLO-ZDUSSCGKSA-N 1 1 355.410 2.680 50 5 FFBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000057354977 136128742 /nfs/dbraw/zinc/12/87/42/136128742.db2.gz NPSSNMJCRITQNC-UHFFFAOYSA-N 1 1 355.394 2.688 50 5 FFBAMO C[N@@H+](CCn1nnc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(F)cc1 ZINC000097139654 222163289 /nfs/dbraw/zinc/16/32/89/222163289.db2.gz HBPHIOXFNVPQDX-UHFFFAOYSA-N 1 1 356.361 2.519 50 5 FFBAMO COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)cc1 ZINC000004456028 506376716 /nfs/dbraw/zinc/37/67/16/506376716.db2.gz HXTDJPNCFDXLHH-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO C[C@@H](CNC(=O)OC(C)(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225388784 132284382 /nfs/dbraw/zinc/28/43/82/132284382.db2.gz ITRHXZXQXQJAKR-AWEZNQCLSA-N 1 1 364.446 2.630 50 5 FFBAMO COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000004708119 506390223 /nfs/dbraw/zinc/39/02/23/506390223.db2.gz HNQPDWZBYWVSQL-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000058130159 221098229 /nfs/dbraw/zinc/09/82/29/221098229.db2.gz AZJQRPAKCJNSOD-HNNXBMFYSA-N 1 1 371.441 2.631 50 5 FFBAMO O=C1NC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)N=C1c1ccccc1 ZINC000064963726 221158807 /nfs/dbraw/zinc/15/88/07/221158807.db2.gz UCTKTHNVOYZGBM-UHFFFAOYSA-N 1 1 364.405 2.506 50 5 FFBAMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000040086154 506464869 /nfs/dbraw/zinc/46/48/69/506464869.db2.gz CEEZAJHWBDSSDO-UHFFFAOYSA-N 1 1 353.378 2.713 50 5 FFBAMO CC[N@@H+]1CCc2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000045317245 506949458 /nfs/dbraw/zinc/94/94/58/506949458.db2.gz IFVXCNDUPVUPBZ-UHFFFAOYSA-N 1 1 372.410 2.558 50 5 FFBAMO CC[N@H+]1CCc2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000045317245 506949461 /nfs/dbraw/zinc/94/94/61/506949461.db2.gz IFVXCNDUPVUPBZ-UHFFFAOYSA-N 1 1 372.410 2.558 50 5 FFBAMO CN(C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000040151679 205060579 /nfs/dbraw/zinc/06/05/79/205060579.db2.gz FEUCCQQZEVSJPQ-UHFFFAOYSA-N 1 1 362.474 2.997 50 5 FFBAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000058160915 205251768 /nfs/dbraw/zinc/25/17/68/205251768.db2.gz HPGJFSQSGOEBLG-CPUCHLNUSA-N 1 1 362.430 2.700 50 5 FFBAMO CCCCN(C)C(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048273907 206082418 /nfs/dbraw/zinc/08/24/18/206082418.db2.gz SNICQTVGDCQXCR-UHFFFAOYSA-N 1 1 373.457 2.873 50 5 FFBAMO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000027366170 507650736 /nfs/dbraw/zinc/65/07/36/507650736.db2.gz DQSDKDRQBFVMRH-UHFFFAOYSA-N 1 1 355.394 2.867 50 5 FFBAMO COc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000027366170 507650743 /nfs/dbraw/zinc/65/07/43/507650743.db2.gz DQSDKDRQBFVMRH-UHFFFAOYSA-N 1 1 355.394 2.867 50 5 FFBAMO CNc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027569363 507666780 /nfs/dbraw/zinc/66/67/80/507666780.db2.gz SCFUPTXDYUCQLL-QGZVFWFLSA-N 1 1 372.425 2.678 50 5 FFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000095446795 508186061 /nfs/dbraw/zinc/18/60/61/508186061.db2.gz PHXVLODEKKRXIR-UHFFFAOYSA-N 1 1 371.441 2.825 50 5 FFBAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004321702 206174353 /nfs/dbraw/zinc/17/43/53/206174353.db2.gz SHTNUFSFJPNNMA-SWLSCSKDSA-N 1 1 363.370 2.924 50 5 FFBAMO O=C1NC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)Nc2ccccc21 ZINC000034812157 506372064 /nfs/dbraw/zinc/37/20/64/506372064.db2.gz GPFKTTSEXRDHDH-UHFFFAOYSA-N 1 1 352.394 2.742 50 5 FFBAMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000095459842 508186543 /nfs/dbraw/zinc/18/65/43/508186543.db2.gz HJEJCYSCVWETPC-ZDUSSCGKSA-N 1 1 357.414 2.833 50 5 FFBAMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000095459842 508186545 /nfs/dbraw/zinc/18/65/45/508186545.db2.gz HJEJCYSCVWETPC-ZDUSSCGKSA-N 1 1 357.414 2.833 50 5 FFBAMO COC(=O)c1ccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000025476927 204837854 /nfs/dbraw/zinc/83/78/54/204837854.db2.gz YRKJJNHXAQJVHC-UHFFFAOYSA-N 1 1 354.366 2.821 50 5 FFBAMO COC(=O)c1ccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000025476927 204837858 /nfs/dbraw/zinc/83/78/58/204837858.db2.gz YRKJJNHXAQJVHC-UHFFFAOYSA-N 1 1 354.366 2.821 50 5 FFBAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000058160913 205252309 /nfs/dbraw/zinc/25/23/09/205252309.db2.gz HPGJFSQSGOEBLG-VBQJREDUSA-N 1 1 362.430 2.700 50 5 FFBAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000058160913 205252312 /nfs/dbraw/zinc/25/23/12/205252312.db2.gz HPGJFSQSGOEBLG-VBQJREDUSA-N 1 1 362.430 2.700 50 5 FFBAMO CCOCC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1CC ZINC000089949233 132200665 /nfs/dbraw/zinc/20/06/65/132200665.db2.gz RNSPHRXIZOVOLO-CYBMUJFWSA-N 1 1 355.410 2.680 50 5 FFBAMO CCOCC[N@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1CC ZINC000089949233 132200668 /nfs/dbraw/zinc/20/06/68/132200668.db2.gz RNSPHRXIZOVOLO-CYBMUJFWSA-N 1 1 355.410 2.680 50 5 FFBAMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000012809261 132863482 /nfs/dbraw/zinc/86/34/82/132863482.db2.gz OKOAJNFQGRJYOM-UHFFFAOYSA-N 1 1 362.817 2.844 50 5 FFBAMO C[NH+]1CCN(c2ccc(C(=O)NCC3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000008720840 506664625 /nfs/dbraw/zinc/66/46/25/506664625.db2.gz CNBLJLDGYALKNG-UHFFFAOYSA-N 1 1 360.458 2.657 50 5 FFBAMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024574349 507420954 /nfs/dbraw/zinc/42/09/54/507420954.db2.gz ACZQTEUUBXOAAB-UHFFFAOYSA-N 1 1 363.801 2.858 50 5 FFBAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024574349 507420960 /nfs/dbraw/zinc/42/09/60/507420960.db2.gz ACZQTEUUBXOAAB-UHFFFAOYSA-N 1 1 363.801 2.858 50 5 FFBAMO Cc1nn(C[N@H+](C)CCOc2cccc(C)c2)c2ncc([N+](=O)[O-])cc12 ZINC000072312394 507775523 /nfs/dbraw/zinc/77/55/23/507775523.db2.gz SUNHQCXBTJVWQY-UHFFFAOYSA-N 1 1 355.398 2.925 50 5 FFBAMO Cc1nn(C[N@@H+](C)CCOc2cccc(C)c2)c2ncc([N+](=O)[O-])cc12 ZINC000072312394 507775525 /nfs/dbraw/zinc/77/55/25/507775525.db2.gz SUNHQCXBTJVWQY-UHFFFAOYSA-N 1 1 355.398 2.925 50 5 FFBAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000004412830 132386957 /nfs/dbraw/zinc/38/69/57/132386957.db2.gz MDXBSQDWOQSRFD-UHFFFAOYSA-N 1 1 364.789 2.845 50 5 FFBAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012750907 506896418 /nfs/dbraw/zinc/89/64/18/506896418.db2.gz YVBDXXJDMIJFKN-UHFFFAOYSA-N 1 1 362.430 2.751 50 5 FFBAMO COc1cc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000019606439 507185719 /nfs/dbraw/zinc/18/57/19/507185719.db2.gz WYWIESAVKJSHDH-UHFFFAOYSA-N 1 1 372.381 2.834 50 5 FFBAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000229657182 509426550 /nfs/dbraw/zinc/42/65/50/509426550.db2.gz HPGJFSQSGOEBLG-JKIFEVAISA-N 1 1 362.430 2.700 50 5 FFBAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000229657182 509426562 /nfs/dbraw/zinc/42/65/62/509426562.db2.gz HPGJFSQSGOEBLG-JKIFEVAISA-N 1 1 362.430 2.700 50 5 FFBAMO COc1cc(NC(=O)C[N@H+](C)CCOc2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000006636864 204257491 /nfs/dbraw/zinc/25/74/91/204257491.db2.gz SVUBXWDDLOONMZ-UHFFFAOYSA-N 1 1 373.409 2.861 50 5 FFBAMO COc1cc(NC(=O)C[N@@H+](C)CCOc2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000006636864 204257495 /nfs/dbraw/zinc/25/74/95/204257495.db2.gz SVUBXWDDLOONMZ-UHFFFAOYSA-N 1 1 373.409 2.861 50 5 FFBAMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC000055543099 136126795 /nfs/dbraw/zinc/12/67/95/136126795.db2.gz JZBSULNWXIPUAV-UHFFFAOYSA-N 1 1 357.410 2.934 50 5 FFBAMO CC[NH+]1CCN(c2nc(C)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)CC1 ZINC000056905962 136127964 /nfs/dbraw/zinc/12/79/64/136127964.db2.gz QRFGSOFQGMREEZ-UHFFFAOYSA-N 1 1 356.430 2.887 50 5 FFBAMO COc1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1 ZINC000004977928 506411051 /nfs/dbraw/zinc/41/10/51/506411051.db2.gz LYHDHDQOYKWABN-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO COC(=O)C[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000004653662 204151519 /nfs/dbraw/zinc/15/15/19/204151519.db2.gz QCFINVNXBNIQLN-MRXNPFEDSA-N 1 1 363.414 2.505 50 5 FFBAMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866090 205188183 /nfs/dbraw/zinc/18/81/83/205188183.db2.gz KBXGXWOCWASPKU-SFHVURJKSA-N 1 1 369.421 2.875 50 5 FFBAMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000052866090 205188186 /nfs/dbraw/zinc/18/81/86/205188186.db2.gz KBXGXWOCWASPKU-SFHVURJKSA-N 1 1 369.421 2.875 50 5 FFBAMO C[NH+]1CCN(c2ccc(C(=O)N3CCCCCCC3)cc2[N+](=O)[O-])CC1 ZINC000008726345 506664462 /nfs/dbraw/zinc/66/44/62/506664462.db2.gz LEAICZPJSKDEJP-UHFFFAOYSA-N 1 1 360.458 2.753 50 5 FFBAMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000031576752 507820433 /nfs/dbraw/zinc/82/04/33/507820433.db2.gz ZJEOSBMNMHTBCP-UHFFFAOYSA-N 1 1 371.397 2.737 50 5 FFBAMO C[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803808 506296658 /nfs/dbraw/zinc/29/66/58/506296658.db2.gz RWZUCVVZNGJKIQ-UHFFFAOYSA-N 1 1 351.204 2.657 50 5 FFBAMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000031964416 507822525 /nfs/dbraw/zinc/82/25/25/507822525.db2.gz VAVCJTHAPOWNMK-ZDUSSCGKSA-N 1 1 359.451 2.762 50 5 FFBAMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000031964416 507822526 /nfs/dbraw/zinc/82/25/26/507822526.db2.gz VAVCJTHAPOWNMK-ZDUSSCGKSA-N 1 1 359.451 2.762 50 5 FFBAMO C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000005688230 207112286 /nfs/dbraw/zinc/11/22/86/207112286.db2.gz RWNDXGYKQFIYPY-QGZVFWFLSA-N 1 1 363.439 2.713 50 5 FFBAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000024237494 507400450 /nfs/dbraw/zinc/40/04/50/507400450.db2.gz FNWXOMMWZILXCA-UHFFFAOYSA-N 1 1 370.409 2.749 50 5 FFBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012555155 132860417 /nfs/dbraw/zinc/86/04/17/132860417.db2.gz LQJLZRDOQKSJQQ-OAHLLOKOSA-N 1 1 368.437 2.838 50 5 FFBAMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000001307399 506258845 /nfs/dbraw/zinc/25/88/45/506258845.db2.gz OPZYKJXPYQSPLO-HXRGIAOBSA-N 1 1 367.449 2.959 50 5 FFBAMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000001307399 506258851 /nfs/dbraw/zinc/25/88/51/506258851.db2.gz OPZYKJXPYQSPLO-HXRGIAOBSA-N 1 1 367.449 2.959 50 5 FFBAMO Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c1 ZINC000004998213 506412497 /nfs/dbraw/zinc/41/24/97/506412497.db2.gz IVCCGMNRWPGBMX-UHFFFAOYSA-N 1 1 354.410 2.907 50 5 FFBAMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000040074369 506462913 /nfs/dbraw/zinc/46/29/13/506462913.db2.gz KLDSQJWSAZSEIY-CYBMUJFWSA-N 1 1 359.451 2.762 50 5 FFBAMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000040074369 506462919 /nfs/dbraw/zinc/46/29/19/506462919.db2.gz KLDSQJWSAZSEIY-CYBMUJFWSA-N 1 1 359.451 2.762 50 5 FFBAMO Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004706771 506389477 /nfs/dbraw/zinc/38/94/77/506389477.db2.gz SLBFRUFFIQGJBA-UHFFFAOYSA-N 1 1 354.410 2.907 50 5 FFBAMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCc2ccccc2C1 ZINC000025918824 507545080 /nfs/dbraw/zinc/54/50/80/507545080.db2.gz DGDDHWGQLRZTSD-LJQANCHMSA-N 1 1 370.453 2.746 50 5 FFBAMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000095459843 209054151 /nfs/dbraw/zinc/05/41/51/209054151.db2.gz HJEJCYSCVWETPC-CYBMUJFWSA-N 1 1 357.414 2.833 50 5 FFBAMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000095459843 209054153 /nfs/dbraw/zinc/05/41/53/209054153.db2.gz HJEJCYSCVWETPC-CYBMUJFWSA-N 1 1 357.414 2.833 50 5 FFBAMO COc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004983865 506411298 /nfs/dbraw/zinc/41/12/98/506411298.db2.gz MRVQMVWSSALAHP-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO CC(C)CCNC(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048253854 570940706 /nfs/dbraw/zinc/94/07/06/570940706.db2.gz IRMHUHJADDQQKA-UHFFFAOYSA-N 1 1 373.457 2.776 50 5 FFBAMO CCC[NH+]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008341491 132259900 /nfs/dbraw/zinc/25/99/00/132259900.db2.gz AVTHIVMCXVRDHM-MRXNPFEDSA-N 1 1 374.485 2.999 50 5 FFBAMO C[N@@H+](CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000009220893 506687338 /nfs/dbraw/zinc/68/73/38/506687338.db2.gz WLLJKJVPRGNUQJ-UHFFFAOYSA-N 1 1 367.409 2.765 50 5 FFBAMO Cc1ccc(CNC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000012517348 506869937 /nfs/dbraw/zinc/86/99/37/506869937.db2.gz VHFASSGZOQQOSL-UHFFFAOYSA-N 1 1 368.437 2.585 50 5 FFBAMO Cc1c(C[N@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)cccc1[N+](=O)[O-] ZINC000058167527 507377827 /nfs/dbraw/zinc/37/78/27/507377827.db2.gz HPLOFAJWRRHXMX-ZDUSSCGKSA-N 1 1 361.427 2.605 50 5 FFBAMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000046033748 209328432 /nfs/dbraw/zinc/32/84/32/209328432.db2.gz GEXXMJORDPSQJA-ZDUSSCGKSA-N 1 1 369.468 2.546 50 5 FFBAMO CC(C)CC[N@@H+](C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004149109 207002763 /nfs/dbraw/zinc/00/27/63/207002763.db2.gz RCMPQESFZJDRAE-UHFFFAOYSA-N 1 1 369.487 2.726 50 5 FFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908500 207061094 /nfs/dbraw/zinc/06/10/94/207061094.db2.gz QOCHASNCRCUSRF-IYKSTZQJSA-N 1 1 370.434 2.839 50 5 FFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004908500 207061099 /nfs/dbraw/zinc/06/10/99/207061099.db2.gz QOCHASNCRCUSRF-IYKSTZQJSA-N 1 1 370.434 2.839 50 5 FFBAMO CN1CC[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000040083155 208222928 /nfs/dbraw/zinc/22/29/28/208222928.db2.gz KMJRGIFWQPGJOH-SFHVURJKSA-N 1 1 355.442 2.781 50 5 FFBAMO C[N@@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000040083155 208222934 /nfs/dbraw/zinc/22/29/34/208222934.db2.gz KMJRGIFWQPGJOH-SFHVURJKSA-N 1 1 355.442 2.781 50 5 FFBAMO C[N@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000040083155 208222938 /nfs/dbraw/zinc/22/29/38/208222938.db2.gz KMJRGIFWQPGJOH-SFHVURJKSA-N 1 1 355.442 2.781 50 5 FFBAMO O=[N+]([O-])c1cccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000051855763 136124170 /nfs/dbraw/zinc/12/41/70/136124170.db2.gz GKSDNAHMJSGPEU-UHFFFAOYSA-N 1 1 372.381 2.704 50 5 FFBAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402202 507038454 /nfs/dbraw/zinc/03/84/54/507038454.db2.gz XZLSFBUSSPXDLM-GXTWGEPZSA-N 1 1 374.397 2.981 50 5 FFBAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000015402202 507038465 /nfs/dbraw/zinc/03/84/65/507038465.db2.gz XZLSFBUSSPXDLM-GXTWGEPZSA-N 1 1 374.397 2.981 50 5 FFBAMO O=Cc1ccc(OCCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004038387 132386178 /nfs/dbraw/zinc/38/61/78/132386178.db2.gz WFUWFTLMVVZELM-UHFFFAOYSA-N 1 1 369.421 2.998 50 5 FFBAMO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000055428173 506751039 /nfs/dbraw/zinc/75/10/39/506751039.db2.gz SEAXFCHRQRVESK-LJQANCHMSA-N 1 1 368.437 2.912 50 5 FFBAMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000055428173 506751044 /nfs/dbraw/zinc/75/10/44/506751044.db2.gz SEAXFCHRQRVESK-LJQANCHMSA-N 1 1 368.437 2.912 50 5 FFBAMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCc2ccccc2C1 ZINC000025918829 507544389 /nfs/dbraw/zinc/54/43/89/507544389.db2.gz DGDDHWGQLRZTSD-IBGZPJMESA-N 1 1 370.453 2.746 50 5 FFBAMO O=C(CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCCC1 ZINC000048272399 570939826 /nfs/dbraw/zinc/93/98/26/570939826.db2.gz QXJADYACVFXLFN-UHFFFAOYSA-N 1 1 371.441 2.627 50 5 FFBAMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000046033749 209329240 /nfs/dbraw/zinc/32/92/40/209329240.db2.gz GEXXMJORDPSQJA-CYBMUJFWSA-N 1 1 369.468 2.546 50 5 FFBAMO C[NH+]1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2[N+](=O)[O-])CC1 ZINC000009379223 132379253 /nfs/dbraw/zinc/37/92/53/132379253.db2.gz JWNBFXLUUOGICA-UHFFFAOYSA-N 1 1 360.458 2.799 50 5 FFBAMO CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000022966325 507322063 /nfs/dbraw/zinc/32/20/63/507322063.db2.gz ZUPWBRDXYNGFAJ-QGZVFWFLSA-N 1 1 364.446 2.853 50 5 FFBAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000058130153 507372769 /nfs/dbraw/zinc/37/27/69/507372769.db2.gz AZJQRPAKCJNSOD-OAHLLOKOSA-N 1 1 371.441 2.631 50 5 FFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000048333453 221008665 /nfs/dbraw/zinc/00/86/65/221008665.db2.gz FEXQBTSAYCNGDG-UHFFFAOYSA-N 1 1 359.430 2.876 50 5 FFBAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000070039107 221331632 /nfs/dbraw/zinc/33/16/32/221331632.db2.gz HUXFUXAKELBTAF-HNNXBMFYSA-N 1 1 373.457 2.571 50 5 FFBAMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000095351445 132206955 /nfs/dbraw/zinc/20/69/55/132206955.db2.gz MZSQKQHDAFHRLF-UHFFFAOYSA-N 1 1 355.394 2.688 50 5 FFBAMO COc1ccccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000036396709 506406922 /nfs/dbraw/zinc/40/69/22/506406922.db2.gz LNCXKKLBHOUKAR-UHFFFAOYSA-N 1 1 357.410 2.804 50 5 FFBAMO C[NH+]1CCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898099 507238055 /nfs/dbraw/zinc/23/80/55/507238055.db2.gz IMGIGVKXMZBOPB-UHFFFAOYSA-N 1 1 355.354 2.657 50 5 FFBAMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000095400099 508184143 /nfs/dbraw/zinc/18/41/43/508184143.db2.gz MVYFDTMCNQDGMM-UHFFFAOYSA-N 1 1 370.837 2.559 50 5 FFBAMO C[NH+]1CCN(c2ccc(C(=O)N3CCc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000008706843 506661746 /nfs/dbraw/zinc/66/17/46/506661746.db2.gz IBOPATNJOZXTBK-UHFFFAOYSA-N 1 1 366.421 2.550 50 5 FFBAMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000075106775 508083467 /nfs/dbraw/zinc/08/34/67/508083467.db2.gz UNQMMXLYDVRILT-NSHDSACASA-N 1 1 366.381 2.756 50 5 FFBAMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000075572691 508118650 /nfs/dbraw/zinc/11/86/50/508118650.db2.gz QXPXWKJEXBMIDR-UHFFFAOYSA-N 1 1 365.430 2.916 50 5 FFBAMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000075572691 508118654 /nfs/dbraw/zinc/11/86/54/508118654.db2.gz QXPXWKJEXBMIDR-UHFFFAOYSA-N 1 1 365.430 2.916 50 5 FFBAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000027352884 507649063 /nfs/dbraw/zinc/64/90/63/507649063.db2.gz WQVWRDVTEDFIKW-UHFFFAOYSA-N 1 1 369.425 2.539 50 5 FFBAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000075106774 508083085 /nfs/dbraw/zinc/08/30/85/508083085.db2.gz UNQMMXLYDVRILT-LLVKDONJSA-N 1 1 366.381 2.756 50 5 FFBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000079099634 522976053 /nfs/dbraw/zinc/97/60/53/522976053.db2.gz LIPFEYKCIXXPRF-CYBMUJFWSA-N 1 1 373.409 2.811 50 5 FFBAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810592 222361632 /nfs/dbraw/zinc/36/16/32/222361632.db2.gz XZLSFBUSSPXDLM-TZMCWYRMSA-N 1 1 374.397 2.981 50 5 FFBAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000104810592 222361634 /nfs/dbraw/zinc/36/16/34/222361634.db2.gz XZLSFBUSSPXDLM-TZMCWYRMSA-N 1 1 374.397 2.981 50 5 FFBAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000040110347 506467833 /nfs/dbraw/zinc/46/78/33/506467833.db2.gz GDYNPVZLQVGWNT-IYBDPMFKSA-N 1 1 374.485 2.903 50 5 FFBAMO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000019286095 507161612 /nfs/dbraw/zinc/16/16/12/507161612.db2.gz FDXAGIZWXPMQSZ-HNNXBMFYSA-N 1 1 371.865 2.548 50 5 FFBAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000027352888 507650298 /nfs/dbraw/zinc/65/02/98/507650298.db2.gz RLLJXFHFOYXDGI-UHFFFAOYSA-N 1 1 369.425 2.539 50 5 FFBAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000070039104 221331692 /nfs/dbraw/zinc/33/16/92/221331692.db2.gz HUXFUXAKELBTAF-OAHLLOKOSA-N 1 1 373.457 2.571 50 5 FFBAMO Nc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048315469 221007880 /nfs/dbraw/zinc/00/78/80/221007880.db2.gz HLHIHTUJIIGJCL-UHFFFAOYSA-N 1 1 372.400 2.664 50 5 FFBAMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c2nonc21 ZINC000033014474 506324918 /nfs/dbraw/zinc/32/49/18/506324918.db2.gz UDRLTKXJBIYZKL-QPJJXVBHSA-N 1 1 365.393 2.966 50 5 FFBAMO COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c1 ZINC000005049440 506417715 /nfs/dbraw/zinc/41/77/15/506417715.db2.gz XUPWXLOPCYFDQV-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000012555157 506877889 /nfs/dbraw/zinc/87/78/89/506877889.db2.gz LQJLZRDOQKSJQQ-HNNXBMFYSA-N 1 1 368.437 2.838 50 5 FFBAMO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](Cc3ccccc3)CC1)OCO2 ZINC000004978708 219633391 /nfs/dbraw/zinc/63/33/91/219633391.db2.gz PVVKLIZOBXBTER-UHFFFAOYSA-N 1 1 355.394 2.641 50 5 FFBAMO CCCCN(C)C(=O)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273903 221004207 /nfs/dbraw/zinc/00/42/07/221004207.db2.gz FZSBXZBIHQEZEG-UHFFFAOYSA-N 1 1 373.457 2.873 50 5 FFBAMO Cc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000053666662 221047678 /nfs/dbraw/zinc/04/76/78/221047678.db2.gz FIWCPNHOEOMYNC-UHFFFAOYSA-N 1 1 353.422 2.904 50 5 FFBAMO COC(=O)C[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000004653663 506387036 /nfs/dbraw/zinc/38/70/36/506387036.db2.gz QCFINVNXBNIQLN-INIZCTEOSA-N 1 1 363.414 2.505 50 5 FFBAMO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000023731610 507369154 /nfs/dbraw/zinc/36/91/54/507369154.db2.gz NVYIAHIEIMKEKB-UHFFFAOYSA-N 1 1 369.421 2.665 50 5 FFBAMO COc1ccc(OC)c2c1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]2O ZINC000052561537 507813997 /nfs/dbraw/zinc/81/39/97/507813997.db2.gz AIAGFMJWJZZASO-MRXNPFEDSA-N 1 1 358.394 2.704 50 5 FFBAMO COc1ccc(OC)c2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]2O ZINC000052561537 507813998 /nfs/dbraw/zinc/81/39/98/507813998.db2.gz AIAGFMJWJZZASO-MRXNPFEDSA-N 1 1 358.394 2.704 50 5 FFBAMO O=C1C[C@@H](c2ccccc2)[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000052836906 221040721 /nfs/dbraw/zinc/04/07/21/221040721.db2.gz JZVNSHHLWRYDDP-KRWDZBQOSA-N 1 1 355.394 2.537 50 5 FFBAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002067321 506270764 /nfs/dbraw/zinc/27/07/64/506270764.db2.gz SHTNUFSFJPNNMA-IUODEOHRSA-N 1 1 363.370 2.924 50 5 FFBAMO CCC[NH+]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008341489 132260045 /nfs/dbraw/zinc/26/00/45/132260045.db2.gz AVTHIVMCXVRDHM-INIZCTEOSA-N 1 1 374.485 2.999 50 5 FFBAMO COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)[NH2+]CC2 ZINC000022204769 220378503 /nfs/dbraw/zinc/37/85/03/220378503.db2.gz DDEZIWSQYMTURV-GOSISDBHSA-N 1 1 358.350 2.576 50 5 FFBAMO CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000022966328 220407694 /nfs/dbraw/zinc/40/76/94/220407694.db2.gz ZUPWBRDXYNGFAJ-KRWDZBQOSA-N 1 1 364.446 2.853 50 5 FFBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000058265212 221111315 /nfs/dbraw/zinc/11/13/15/221111315.db2.gz TZJXMUPQRZNVFX-UHFFFAOYSA-N 1 1 359.430 2.876 50 5 FFBAMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345317 220152775 /nfs/dbraw/zinc/15/27/75/220152775.db2.gz BXKHMHZEBAUFHU-ZHACJKMWSA-N 1 1 351.406 2.952 50 5 FFBAMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032809890 506299187 /nfs/dbraw/zinc/29/91/87/506299187.db2.gz NNLOVROZLYRZSA-UHFFFAOYSA-N 1 1 368.865 2.629 50 5 FFBAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032809890 506299193 /nfs/dbraw/zinc/29/91/93/506299193.db2.gz NNLOVROZLYRZSA-UHFFFAOYSA-N 1 1 368.865 2.629 50 5 FFBAMO COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)cc1 ZINC000005049782 506417460 /nfs/dbraw/zinc/41/74/60/506417460.db2.gz GQYVNBZYWISKPY-UHFFFAOYSA-N 1 1 370.409 2.608 50 5 FFBAMO