smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272634429 210037000 /nfs/dbraw/zinc/03/70/00/210037000.db2.gz NPDNTECENRAJKW-SMDDNHRTSA-N 1 3 311.813 2.863 20 5 DFBDHO C[C@H]1C[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634429 210037003 /nfs/dbraw/zinc/03/70/03/210037003.db2.gz NPDNTECENRAJKW-SMDDNHRTSA-N 1 3 311.813 2.863 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414826048 295822502 /nfs/dbraw/zinc/82/25/02/295822502.db2.gz IAYHQIGSSXOIFP-VYDXJSESSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414829167 295823232 /nfs/dbraw/zinc/82/32/32/295823232.db2.gz NFPJANSQCGAORU-SLHHOWHOSA-N 1 3 303.406 2.789 20 5 DFBDHO O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000415011946 295847135 /nfs/dbraw/zinc/84/71/35/295847135.db2.gz RPDFKZURRCLBRH-DZGCQCFKSA-N 1 3 309.797 2.726 20 5 DFBDHO O=[N+]([O-])c1cccc(CN(CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000420371110 296181884 /nfs/dbraw/zinc/18/18/84/296181884.db2.gz ZMXOBEUTHYBYGR-UHFFFAOYSA-N 1 3 303.406 2.949 20 5 DFBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181718 296389403 /nfs/dbraw/zinc/38/94/03/296389403.db2.gz PIVDCUICBSSSEW-KBPBESRZSA-N 1 3 321.425 2.526 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000423211967 296393209 /nfs/dbraw/zinc/39/32/09/296393209.db2.gz LIVDQFHMQHIKSS-BBRMVZONSA-N 1 3 303.406 2.505 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423211967 296393211 /nfs/dbraw/zinc/39/32/11/296393211.db2.gz LIVDQFHMQHIKSS-BBRMVZONSA-N 1 3 303.406 2.505 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261918337 146301884 /nfs/dbraw/zinc/30/18/84/146301884.db2.gz HJRUAUAUGXZNLR-QGZVFWFLSA-N 1 3 303.406 2.601 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357058674 158357743 /nfs/dbraw/zinc/35/77/43/158357743.db2.gz VYLJFALVXICBJH-IVZVJUQRSA-N 1 3 315.417 2.930 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293660824 427397058 /nfs/dbraw/zinc/39/70/58/427397058.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 1 3 303.406 2.821 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293660824 427397063 /nfs/dbraw/zinc/39/70/63/427397063.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 1 3 303.406 2.821 20 5 DFBDHO CC[N@@H+]1CC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861885 272378323 /nfs/dbraw/zinc/37/83/23/272378323.db2.gz KGDJHJRVBUFCJC-IHWMJMDHSA-N 1 3 303.406 2.930 20 5 DFBDHO CC[N@H+]1CC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861885 272378325 /nfs/dbraw/zinc/37/83/25/272378325.db2.gz KGDJHJRVBUFCJC-IHWMJMDHSA-N 1 3 303.406 2.930 20 5 DFBDHO CCN1CC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861885 272378327 /nfs/dbraw/zinc/37/83/27/272378327.db2.gz KGDJHJRVBUFCJC-IHWMJMDHSA-N 1 3 303.406 2.930 20 5 DFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088530 428381377 /nfs/dbraw/zinc/38/13/77/428381377.db2.gz XPJVNWZYJXNPAT-DZGCQCFKSA-N 1 3 303.406 2.977 20 5 DFBDHO C[C@H](CCC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415023110 428491510 /nfs/dbraw/zinc/49/15/10/428491510.db2.gz MEXJXVNMMXDWPT-LLVKDONJSA-N 1 3 320.418 2.935 20 5 DFBDHO COc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424296820 429121061 /nfs/dbraw/zinc/12/10/61/429121061.db2.gz SIMIBVSDYLFVMS-CYBMUJFWSA-N 1 3 319.405 2.567 20 5 DFBDHO Cc1cc(NCC[C@@H](C)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000596428087 398409665 /nfs/dbraw/zinc/40/96/65/398409665.db2.gz DUICNTAREKVNTR-GFCCVEGCSA-N 1 3 302.378 2.625 20 5 DFBDHO CC(C)[C@H]([NH3+])CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596655366 398473062 /nfs/dbraw/zinc/47/30/62/398473062.db2.gz VXKPIELCZJNXJU-HZPDHXFCSA-N 1 3 305.422 2.879 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459726716 299174033 /nfs/dbraw/zinc/17/40/33/299174033.db2.gz GQWXFVTXZQSHBC-AWEZNQCLSA-N 1 3 321.421 2.815 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726716 299174037 /nfs/dbraw/zinc/17/40/37/299174037.db2.gz GQWXFVTXZQSHBC-AWEZNQCLSA-N 1 3 321.421 2.815 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414856551 295826701 /nfs/dbraw/zinc/82/67/01/295826701.db2.gz OIBGWHHIZXOMBJ-YCPHGPKFSA-N 1 3 305.422 2.894 20 5 DFBDHO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420269780 296167776 /nfs/dbraw/zinc/16/77/76/296167776.db2.gz BIGWYKUUFWVCHM-OLZOCXBDSA-N 1 3 314.389 2.803 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395636 296185858 /nfs/dbraw/zinc/18/58/58/296185858.db2.gz LMFFHXIKJIJPQY-RDJZCZTQSA-N 1 3 303.406 2.601 20 5 DFBDHO C[C@H](CCNCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000602609693 399489636 /nfs/dbraw/zinc/48/96/36/399489636.db2.gz UZPBJPGUVWKOSG-OAHLLOKOSA-N 1 3 305.422 2.991 20 5 DFBDHO C[C@H](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000602609693 399489637 /nfs/dbraw/zinc/48/96/37/399489637.db2.gz UZPBJPGUVWKOSG-OAHLLOKOSA-N 1 3 305.422 2.991 20 5 DFBDHO C[NH+](C)C1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602699764 399526436 /nfs/dbraw/zinc/52/64/36/399526436.db2.gz REJGIKDADFAHBT-UHFFFAOYSA-N 1 3 318.377 2.698 20 5 DFBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181721 296389446 /nfs/dbraw/zinc/38/94/46/296389446.db2.gz PIVDCUICBSSSEW-ZIAGYGMSSA-N 1 3 321.425 2.526 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000449066515 297399931 /nfs/dbraw/zinc/39/99/31/297399931.db2.gz CJSVFNQHHNJGBR-HNNXBMFYSA-N 1 3 305.422 2.991 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165993905 426125923 /nfs/dbraw/zinc/12/59/23/426125923.db2.gz JDSOZJUSNUJRHC-LSDHHAIUSA-N 1 3 323.437 2.911 20 5 DFBDHO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000271172114 427430997 /nfs/dbraw/zinc/43/09/97/427430997.db2.gz UJUMSGGAWRCHRF-QWHCGFSZSA-N 1 3 309.410 2.984 20 5 DFBDHO C[NH+]1CCC2(CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369720942 428045157 /nfs/dbraw/zinc/04/51/57/428045157.db2.gz KVUSZJFYQDHCMH-UHFFFAOYSA-N 1 3 303.406 2.903 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785565 428406040 /nfs/dbraw/zinc/40/60/40/428406040.db2.gz SVEFMANMPCTBDL-VNYDODJDSA-N 1 3 315.417 2.930 20 5 DFBDHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414848499 428433486 /nfs/dbraw/zinc/43/34/86/428433486.db2.gz XBRALMXDUDNPHF-DZKIICNBSA-N 1 3 305.422 2.751 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449092575 429328238 /nfs/dbraw/zinc/32/82/38/429328238.db2.gz UORJYOAJEJLZPV-FVQBIDKESA-N 1 3 303.406 2.742 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449092575 429328242 /nfs/dbraw/zinc/32/82/42/429328242.db2.gz UORJYOAJEJLZPV-FVQBIDKESA-N 1 3 303.406 2.742 20 5 DFBDHO C[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000367609799 429684961 /nfs/dbraw/zinc/68/49/61/429684961.db2.gz XTPOTUXYQBUNLA-VYDXJSESSA-N 1 3 303.406 2.600 20 5 DFBDHO C[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000367609799 429684966 /nfs/dbraw/zinc/68/49/66/429684966.db2.gz XTPOTUXYQBUNLA-VYDXJSESSA-N 1 3 303.406 2.600 20 5 DFBDHO CC[NH+](CC)CCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574172924 430018954 /nfs/dbraw/zinc/01/89/54/430018954.db2.gz ZBJMFZYIEUSOQO-INIZCTEOSA-N 1 3 321.421 2.530 20 5 DFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000530326482 430111333 /nfs/dbraw/zinc/11/13/33/430111333.db2.gz VSVLHDYVJZVELE-IDJPSDCMSA-N 1 3 303.406 2.930 20 5 DFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000530326482 430111337 /nfs/dbraw/zinc/11/13/37/430111337.db2.gz VSVLHDYVJZVELE-IDJPSDCMSA-N 1 3 303.406 2.930 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090185 278310798 /nfs/dbraw/zinc/31/07/98/278310798.db2.gz RBHYJXIJGMEQDK-CJNGLKHVSA-N 1 3 303.406 2.977 20 5 DFBDHO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1 ZINC000515413153 300305572 /nfs/dbraw/zinc/30/55/72/300305572.db2.gz OLBOKVFXKKCRFC-GDBMZVCRSA-N 1 3 305.422 2.895 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000414777168 316651204 /nfs/dbraw/zinc/65/12/04/316651204.db2.gz GPUHNZWLDDHEMR-CJNGLKHVSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1cc(NCCC[C@@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420277130 296168499 /nfs/dbraw/zinc/16/84/99/296168499.db2.gz IGXYGHUHNSUTDM-ZDUSSCGKSA-N 1 3 314.389 2.817 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262003954 146320996 /nfs/dbraw/zinc/32/09/96/146320996.db2.gz LOFVZLCVCVJUSM-UHFFFAOYSA-N 1 3 319.405 2.569 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000285610615 427288821 /nfs/dbraw/zinc/28/88/21/427288821.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 1 3 319.405 2.531 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000285610615 427288826 /nfs/dbraw/zinc/28/88/26/427288826.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 1 3 319.405 2.531 20 5 DFBDHO C[C@H]1C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682021 428374216 /nfs/dbraw/zinc/37/42/16/428374216.db2.gz XKCFXQMOXWDWIX-KBPBESRZSA-N 1 3 303.406 2.947 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414856548 428436488 /nfs/dbraw/zinc/43/64/88/428436488.db2.gz OIBGWHHIZXOMBJ-FMKPAKJESA-N 1 3 305.422 2.894 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414986461 428480645 /nfs/dbraw/zinc/48/06/45/428480645.db2.gz CKMDOXUGTYPXQX-OCCSQVGLSA-N 1 3 307.394 2.601 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000449088901 429329925 /nfs/dbraw/zinc/32/99/25/429329925.db2.gz JBIMDHGCKRHNSF-CQSZACIVSA-N 1 3 317.433 2.990 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000449175052 429350341 /nfs/dbraw/zinc/35/03/41/429350341.db2.gz QEYHWMDVWFLVNR-BMFZPTHFSA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000449175052 429350344 /nfs/dbraw/zinc/35/03/44/429350344.db2.gz QEYHWMDVWFLVNR-BMFZPTHFSA-N 1 3 305.422 2.988 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292064152 281022015 /nfs/dbraw/zinc/02/20/15/281022015.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 1 3 303.406 2.992 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292064152 281022016 /nfs/dbraw/zinc/02/20/16/281022016.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 1 3 303.406 2.992 20 5 DFBDHO CC(C)N(C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537907 297307378 /nfs/dbraw/zinc/30/73/78/297307378.db2.gz ZHTFNBWGPYBRTQ-LSDHHAIUSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@H+](C)CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537907 297307379 /nfs/dbraw/zinc/30/73/79/297307379.db2.gz ZHTFNBWGPYBRTQ-LSDHHAIUSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@@H+](C)CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537907 297307380 /nfs/dbraw/zinc/30/73/80/297307380.db2.gz ZHTFNBWGPYBRTQ-LSDHHAIUSA-N 1 3 323.441 2.595 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433823 398425285 /nfs/dbraw/zinc/42/52/85/398425285.db2.gz YIYVRVAIPGGXQP-GJZGRUSLSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734586 398851012 /nfs/dbraw/zinc/85/10/12/398851012.db2.gz BXWPEIKWZBEHKU-MRXNPFEDSA-N 1 3 303.406 2.806 20 5 DFBDHO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420269784 296167710 /nfs/dbraw/zinc/16/77/10/296167710.db2.gz BIGWYKUUFWVCHM-STQMWFEESA-N 1 3 314.389 2.803 20 5 DFBDHO Cc1c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327980 296176024 /nfs/dbraw/zinc/17/60/24/296176024.db2.gz LZOMHTORAPAJTE-ZBFHGGJFSA-N 1 3 303.406 2.725 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344102 296178076 /nfs/dbraw/zinc/17/80/76/296178076.db2.gz SBTPPPUGXCLPCP-BMFZPTHFSA-N 1 3 303.406 2.977 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420396044 296185703 /nfs/dbraw/zinc/18/57/03/296185703.db2.gz LMFFHXIKJIJPQY-WBVHZDCISA-N 1 3 303.406 2.601 20 5 DFBDHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422923309 296356228 /nfs/dbraw/zinc/35/62/28/296356228.db2.gz ROXAJMPIOVJNRI-YOEHRIQHSA-N 1 3 305.422 2.895 20 5 DFBDHO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445544 /nfs/dbraw/zinc/44/55/44/426445544.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 1 3 307.394 2.518 20 5 DFBDHO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445546 /nfs/dbraw/zinc/44/55/46/426445546.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 1 3 307.394 2.518 20 5 DFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000530326483 430110554 /nfs/dbraw/zinc/11/05/54/430110554.db2.gz VSVLHDYVJZVELE-IHWMJMDHSA-N 1 3 303.406 2.930 20 5 DFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000530326483 430110556 /nfs/dbraw/zinc/11/05/56/430110556.db2.gz VSVLHDYVJZVELE-IHWMJMDHSA-N 1 3 303.406 2.930 20 5 DFBDHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506894 297305656 /nfs/dbraw/zinc/30/56/56/297305656.db2.gz FQEINOVSNOBIIF-GJZGRUSLSA-N 1 3 323.441 2.597 20 5 DFBDHO CC[NH+](CC)CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506894 297305658 /nfs/dbraw/zinc/30/56/58/297305658.db2.gz FQEINOVSNOBIIF-GJZGRUSLSA-N 1 3 323.441 2.597 20 5 DFBDHO Cc1cc(NCC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317134502 316247133 /nfs/dbraw/zinc/24/71/33/316247133.db2.gz PLZORQXRAXELJF-UHFFFAOYSA-N 1 3 300.362 2.863 20 5 DFBDHO O=[N+]([O-])c1cc(CNCC2CC[NH+](CC3CC3)CC2)cs1 ZINC000595000869 398889551 /nfs/dbraw/zinc/88/95/51/398889551.db2.gz MKMWVGPTXIGWPQ-UHFFFAOYSA-N 1 3 309.435 2.868 20 5 DFBDHO CC[NH+]1CCC(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595011659 398891877 /nfs/dbraw/zinc/89/18/77/398891877.db2.gz KLZSAHZQNUMTHH-ZDUSSCGKSA-N 1 3 321.421 2.986 20 5 DFBDHO CN1CCCC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994337 398905179 /nfs/dbraw/zinc/90/51/79/398905179.db2.gz KGUZIADPTRDGLP-WUKHSURWSA-N 1 3 303.406 2.930 20 5 DFBDHO CN1CCCC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994334 398904917 /nfs/dbraw/zinc/90/49/17/398904917.db2.gz KGUZIADPTRDGLP-AJHXJQRKSA-N 1 3 303.406 2.930 20 5 DFBDHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072047 398916985 /nfs/dbraw/zinc/91/69/85/398916985.db2.gz XAVNHBAFGGSLOE-XJKSGUPXSA-N 1 3 303.406 2.904 20 5 DFBDHO Cc1c(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cccc1[N+](=O)[O-] ZINC000423077013 296375631 /nfs/dbraw/zinc/37/56/31/296375631.db2.gz LBEJMFMOMQXFOR-RHSMWYFYSA-N 1 3 313.401 2.951 20 5 DFBDHO C[NH+](C)CCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000056521732 425895421 /nfs/dbraw/zinc/89/54/21/425895421.db2.gz WNOSPBXFTQZCJU-UHFFFAOYSA-N 1 3 321.421 2.637 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165980637 426125737 /nfs/dbraw/zinc/12/57/37/426125737.db2.gz HVLBMLBYSHMBOT-HOCLYGCPSA-N 1 3 323.437 2.911 20 5 DFBDHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389818 428517157 /nfs/dbraw/zinc/51/71/57/428517157.db2.gz XIDMWOKZLDBQKX-RBSFLKMASA-N 1 3 319.405 2.566 20 5 DFBDHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000449090112 429329122 /nfs/dbraw/zinc/32/91/22/429329122.db2.gz MUGBFEHOISVSPO-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000449090112 429329126 /nfs/dbraw/zinc/32/91/26/429329126.db2.gz MUGBFEHOISVSPO-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104233 429333791 /nfs/dbraw/zinc/33/37/91/429333791.db2.gz FHBHCMWKBNFGHD-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104233 429333793 /nfs/dbraw/zinc/33/37/93/429333793.db2.gz FHBHCMWKBNFGHD-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000449175058 429350280 /nfs/dbraw/zinc/35/02/80/429350280.db2.gz QEYHWMDVWFLVNR-VNQPRFMTSA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000449175058 429350282 /nfs/dbraw/zinc/35/02/82/429350282.db2.gz QEYHWMDVWFLVNR-VNQPRFMTSA-N 1 3 305.422 2.988 20 5 DFBDHO CCC[NH+]1CCC(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449219483 429361810 /nfs/dbraw/zinc/36/18/10/429361810.db2.gz NGXFCAYPCDWCRI-CQSZACIVSA-N 1 3 305.422 2.990 20 5 DFBDHO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNC1 ZINC000515413155 300305446 /nfs/dbraw/zinc/30/54/46/300305446.db2.gz OLBOKVFXKKCRFC-HOCLYGCPSA-N 1 3 305.422 2.895 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000591578296 398773694 /nfs/dbraw/zinc/77/36/94/398773694.db2.gz NAMYMWHPVBWIET-JKSUJKDBSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000591578296 398773699 /nfs/dbraw/zinc/77/36/99/398773699.db2.gz NAMYMWHPVBWIET-JKSUJKDBSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591580926 398773989 /nfs/dbraw/zinc/77/39/89/398773989.db2.gz HUIFKHRMKRBOJI-CVEARBPZSA-N 1 3 301.390 2.704 20 5 DFBDHO Cc1cc(NCC2([NH3+])CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000594694364 398843862 /nfs/dbraw/zinc/84/38/62/398843862.db2.gz JKXPOSUXQSUWBF-UHFFFAOYSA-N 1 3 300.362 2.557 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000595009206 398890868 /nfs/dbraw/zinc/89/08/68/398890868.db2.gz BDONSEHVFQMXMD-GFCCVEGCSA-N 1 3 307.394 2.596 20 5 DFBDHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595063308 398900634 /nfs/dbraw/zinc/90/06/34/398900634.db2.gz PWTQKIIZOVQFJS-GJZGRUSLSA-N 1 3 322.453 2.517 20 5 DFBDHO CN1CCCC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994336 398905090 /nfs/dbraw/zinc/90/50/90/398905090.db2.gz KGUZIADPTRDGLP-RZIFZGNASA-N 1 3 303.406 2.930 20 5 DFBDHO C[NH+](C)CCOCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329011 296010678 /nfs/dbraw/zinc/01/06/78/296010678.db2.gz JCCAOWVMDAZFGI-QGZVFWFLSA-N 1 3 321.421 2.530 20 5 DFBDHO Cc1c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327978 296176048 /nfs/dbraw/zinc/17/60/48/296176048.db2.gz LZOMHTORAPAJTE-GOEBONIOSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395635 296185662 /nfs/dbraw/zinc/18/56/62/296185662.db2.gz LMFFHXIKJIJPQY-NVXWUHKLSA-N 1 3 303.406 2.601 20 5 DFBDHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422923206 296355959 /nfs/dbraw/zinc/35/59/59/296355959.db2.gz ROXAJMPIOVJNRI-PBHICJAKSA-N 1 3 305.422 2.895 20 5 DFBDHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422923307 296356117 /nfs/dbraw/zinc/35/61/17/296356117.db2.gz ROXAJMPIOVJNRI-RHSMWYFYSA-N 1 3 305.422 2.895 20 5 DFBDHO O=[N+]([O-])c1cc(Cl)ccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423043956 296371280 /nfs/dbraw/zinc/37/12/80/296371280.db2.gz QFJARNVGFSZQFV-PBWFPOADSA-N 1 3 309.797 2.663 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH2+]C ZINC000423269927 296398936 /nfs/dbraw/zinc/39/89/36/296398936.db2.gz HJLLGTOEWADWRT-OLZOCXBDSA-N 1 3 311.451 2.911 20 5 DFBDHO CC1(C)C[C@@H](NCC2=CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423363326 296408576 /nfs/dbraw/zinc/40/85/76/296408576.db2.gz YMDTWXUFMHDLBF-MRXNPFEDSA-N 1 3 301.390 2.827 20 5 DFBDHO C[NH+](C)CCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000056522324 425895516 /nfs/dbraw/zinc/89/55/16/425895516.db2.gz VBRZORRPUCGGOH-UHFFFAOYSA-N 1 3 321.421 2.637 20 5 DFBDHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000075860344 426088025 /nfs/dbraw/zinc/08/80/25/426088025.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 1 3 305.422 2.944 20 5 DFBDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000075860344 426088028 /nfs/dbraw/zinc/08/80/28/426088028.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 1 3 305.422 2.944 20 5 DFBDHO C[NH+]1CCC([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270535553 271305403 /nfs/dbraw/zinc/30/54/03/271305403.db2.gz WIURDVNADMFNAV-INIZCTEOSA-N 1 3 303.406 2.759 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788582 428409851 /nfs/dbraw/zinc/40/98/51/428409851.db2.gz XCNHPCFJYRCRQH-STQMWFEESA-N 1 3 307.369 2.555 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414986457 428480687 /nfs/dbraw/zinc/48/06/87/428480687.db2.gz CKMDOXUGTYPXQX-GXTWGEPZSA-N 1 3 307.394 2.601 20 5 DFBDHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088995 429328497 /nfs/dbraw/zinc/32/84/97/429328497.db2.gz CNPOKXSJVLFWFE-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088995 429328502 /nfs/dbraw/zinc/32/85/02/429328502.db2.gz CNPOKXSJVLFWFE-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088995 429328506 /nfs/dbraw/zinc/32/85/06/429328506.db2.gz CNPOKXSJVLFWFE-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449092577 429329359 /nfs/dbraw/zinc/32/93/59/429329359.db2.gz UORJYOAJEJLZPV-VNQPRFMTSA-N 1 3 303.406 2.742 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449092577 429329364 /nfs/dbraw/zinc/32/93/64/429329364.db2.gz UORJYOAJEJLZPV-VNQPRFMTSA-N 1 3 303.406 2.742 20 5 DFBDHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566401 /nfs/dbraw/zinc/56/64/01/430566401.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO C[N@H+]1CC[C@@H]2[C@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566403 /nfs/dbraw/zinc/56/64/03/430566403.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566406 /nfs/dbraw/zinc/56/64/06/430566406.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566411 /nfs/dbraw/zinc/56/64/11/430566411.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414972096 295842830 /nfs/dbraw/zinc/84/28/30/295842830.db2.gz LYBSUPNSPASAQC-CQSZACIVSA-N 1 3 307.394 2.615 20 5 DFBDHO CN1CCC[C@@H](C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092253460 193180348 /nfs/dbraw/zinc/18/03/48/193180348.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 1 3 303.406 2.882 20 5 DFBDHO CN1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092253460 193180349 /nfs/dbraw/zinc/18/03/49/193180349.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 1 3 303.406 2.882 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329234 296175959 /nfs/dbraw/zinc/17/59/59/296175959.db2.gz ODBUTCVMPARGMP-KFWWJZLASA-N 1 3 303.406 2.977 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344104 296178153 /nfs/dbraw/zinc/17/81/53/296178153.db2.gz SBTPPPUGXCLPCP-KBMXLJTQSA-N 1 3 303.406 2.977 20 5 DFBDHO CCCC[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602535927 399470088 /nfs/dbraw/zinc/47/00/88/399470088.db2.gz PCLRZVLTSCDZCN-UHFFFAOYSA-N 1 3 305.422 2.991 20 5 DFBDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422740154 296324488 /nfs/dbraw/zinc/32/44/88/296324488.db2.gz MNFJUIZKTQGOCV-KSSFIOAISA-N 1 3 313.401 2.685 20 5 DFBDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422740152 296324529 /nfs/dbraw/zinc/32/45/29/296324529.db2.gz MNFJUIZKTQGOCV-KBXCAEBGSA-N 1 3 313.401 2.685 20 5 DFBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422795523 296334493 /nfs/dbraw/zinc/33/44/93/296334493.db2.gz VWNYZEISKRELOW-ARFHVFGLSA-N 1 3 303.406 2.648 20 5 DFBDHO CCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423349164 296407511 /nfs/dbraw/zinc/40/75/11/296407511.db2.gz VVMMQKGBSUUOQS-LBPRGKRZSA-N 1 3 305.378 2.564 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000165924538 426124503 /nfs/dbraw/zinc/12/45/03/426124503.db2.gz XNNCQQYRTAEJLG-CJNGLKHVSA-N 1 3 309.410 2.602 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166035479 426126063 /nfs/dbraw/zinc/12/60/63/426126063.db2.gz GGUBKXVZILDGMV-BBRMVZONSA-N 1 3 309.410 2.602 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788574 428411210 /nfs/dbraw/zinc/41/12/10/428411210.db2.gz XCNHPCFJYRCRQH-CHWSQXEVSA-N 1 3 307.369 2.555 20 5 DFBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@@H]3CC[NH2+]C3)o2)c1 ZINC000414832766 428427671 /nfs/dbraw/zinc/42/76/71/428427671.db2.gz OTUJCKFOUVNFNP-ZDUSSCGKSA-N 1 3 315.373 2.944 20 5 DFBDHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352725 429072087 /nfs/dbraw/zinc/07/20/87/429072087.db2.gz AKCZCIQGTRNSBJ-JHNDHUHGSA-N 1 3 317.433 2.894 20 5 DFBDHO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000423367252 429074598 /nfs/dbraw/zinc/07/45/98/429074598.db2.gz DIGLFBJPCZFKGY-KCXAZCMYSA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423367252 429074600 /nfs/dbraw/zinc/07/46/00/429074600.db2.gz DIGLFBJPCZFKGY-KCXAZCMYSA-N 1 3 303.406 2.646 20 5 DFBDHO CC(C)[NH+]1CCC(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449069526 429323752 /nfs/dbraw/zinc/32/37/52/429323752.db2.gz XQRUOVWSOVGNFV-CQSZACIVSA-N 1 3 305.422 2.988 20 5 DFBDHO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262070152 280626765 /nfs/dbraw/zinc/62/67/65/280626765.db2.gz FYTSGEJHBVSGGA-GFCCVEGCSA-N 1 3 300.362 2.863 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433758 398425053 /nfs/dbraw/zinc/42/50/53/398425053.db2.gz SUHXSQXWYQXFOC-HOTGVXAUSA-N 1 3 303.406 2.806 20 5 DFBDHO [NH3+]CCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414902662 295832511 /nfs/dbraw/zinc/83/25/11/295832511.db2.gz KKMJEPXQYFSXCC-UHFFFAOYSA-N 1 3 306.391 2.547 20 5 DFBDHO CCOc1ccc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579290 398774003 /nfs/dbraw/zinc/77/40/03/398774003.db2.gz GAHHHLCYBANRQL-LRDDRELGSA-N 1 3 319.405 2.786 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594734592 398851034 /nfs/dbraw/zinc/85/10/34/398851034.db2.gz CAGBNQXPYCGCJH-HNNXBMFYSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000595000127 398888868 /nfs/dbraw/zinc/88/88/68/398888868.db2.gz COOVXCIIEAWMER-UHFFFAOYSA-N 1 3 321.396 2.946 20 5 DFBDHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072045 398917123 /nfs/dbraw/zinc/91/71/23/398917123.db2.gz XAVNHBAFGGSLOE-CJNGLKHVSA-N 1 3 303.406 2.904 20 5 DFBDHO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420269777 296167593 /nfs/dbraw/zinc/16/75/93/296167593.db2.gz BIGWYKUUFWVCHM-CHWSQXEVSA-N 1 3 314.389 2.803 20 5 DFBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422795525 296334580 /nfs/dbraw/zinc/33/45/80/296334580.db2.gz VWNYZEISKRELOW-OAGGEKHMSA-N 1 3 303.406 2.648 20 5 DFBDHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039956 296370722 /nfs/dbraw/zinc/37/07/22/296370722.db2.gz GGYDMRUZEWTNRG-TZMCWYRMSA-N 1 3 311.813 2.898 20 5 DFBDHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039956 296370723 /nfs/dbraw/zinc/37/07/23/296370723.db2.gz GGYDMRUZEWTNRG-TZMCWYRMSA-N 1 3 311.813 2.898 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH2+]C ZINC000423269929 296398775 /nfs/dbraw/zinc/39/87/75/296398775.db2.gz HJLLGTOEWADWRT-STQMWFEESA-N 1 3 311.451 2.911 20 5 DFBDHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000602876647 399612592 /nfs/dbraw/zinc/61/25/92/399612592.db2.gz HXZYXTYXMLRVPZ-UHFFFAOYSA-N 1 3 319.405 2.521 20 5 DFBDHO COc1ccc(CNCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000292869780 533661102 /nfs/dbraw/zinc/66/11/02/533661102.db2.gz BHLICAFPIVNYOM-UHFFFAOYSA-N 1 3 321.421 2.959 20 5 DFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090190 287145041 /nfs/dbraw/zinc/14/50/41/287145041.db2.gz RBHYJXIJGMEQDK-XJKSGUPXSA-N 1 3 303.406 2.977 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165980757 426126110 /nfs/dbraw/zinc/12/61/10/426126110.db2.gz HVLBMLBYSHMBOT-GOEBONIOSA-N 1 3 323.437 2.911 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000178411950 426624293 /nfs/dbraw/zinc/62/42/93/426624293.db2.gz DUZPKCFJKWRKQZ-QGZVFWFLSA-N 1 3 317.433 2.991 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000178411950 426624295 /nfs/dbraw/zinc/62/42/95/426624295.db2.gz DUZPKCFJKWRKQZ-QGZVFWFLSA-N 1 3 317.433 2.991 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774703 428401893 /nfs/dbraw/zinc/40/18/93/428401893.db2.gz YXMNCBJRNFCZQD-ARMDTRKZSA-N 1 3 301.390 2.539 20 5 DFBDHO N[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399736 429081747 /nfs/dbraw/zinc/08/17/47/429081747.db2.gz UWUYVPGARNTEOM-PMPSAXMXSA-N 1 3 303.406 2.775 20 5 DFBDHO [NH3+][C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399736 429081751 /nfs/dbraw/zinc/08/17/51/429081751.db2.gz UWUYVPGARNTEOM-PMPSAXMXSA-N 1 3 303.406 2.775 20 5 DFBDHO N[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399734 429081779 /nfs/dbraw/zinc/08/17/79/429081779.db2.gz UWUYVPGARNTEOM-OAGGEKHMSA-N 1 3 303.406 2.775 20 5 DFBDHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399734 429081781 /nfs/dbraw/zinc/08/17/81/429081781.db2.gz UWUYVPGARNTEOM-OAGGEKHMSA-N 1 3 303.406 2.775 20 5 DFBDHO CCNCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822734 302161210 /nfs/dbraw/zinc/16/12/10/302161210.db2.gz QZTJVFUKLJHEFL-ZBFHGGJFSA-N 1 3 305.422 2.895 20 5 DFBDHO CC[NH2+]CCCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822734 302161211 /nfs/dbraw/zinc/16/12/11/302161211.db2.gz QZTJVFUKLJHEFL-ZBFHGGJFSA-N 1 3 305.422 2.895 20 5 DFBDHO O=[N+]([O-])c1ccccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000320711588 534887007 /nfs/dbraw/zinc/88/70/07/534887007.db2.gz HAGQNYZXISEDIN-UHFFFAOYSA-N 1 3 312.373 2.748 20 5 DFBDHO C[N@H+](CCCN1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338348880 284103308 /nfs/dbraw/zinc/10/33/08/284103308.db2.gz MKWYAQRBTKHQRY-UHFFFAOYSA-N 1 3 305.422 2.945 20 5 DFBDHO C[N@@H+](CCCN1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338348880 284103313 /nfs/dbraw/zinc/10/33/13/284103313.db2.gz MKWYAQRBTKHQRY-UHFFFAOYSA-N 1 3 305.422 2.945 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329235 296176103 /nfs/dbraw/zinc/17/61/03/296176103.db2.gz ODBUTCVMPARGMP-QLFBSQMISA-N 1 3 303.406 2.977 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC1CCC([NH+](C)C)CC1 ZINC000421378271 296250370 /nfs/dbraw/zinc/25/03/70/296250370.db2.gz UZRNTXNQUWYPSW-UHFFFAOYSA-N 1 3 321.421 2.956 20 5 DFBDHO CC(C)N1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545165 399472273 /nfs/dbraw/zinc/47/22/73/399472273.db2.gz NOINQXVATCKJDP-MRXNPFEDSA-N 1 3 305.422 2.847 20 5 DFBDHO CC(C)[N@@H+]1CCC[C@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545165 399472275 /nfs/dbraw/zinc/47/22/75/399472275.db2.gz NOINQXVATCKJDP-MRXNPFEDSA-N 1 3 305.422 2.847 20 5 DFBDHO CC(C)[N@H+]1CCC[C@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545165 399472279 /nfs/dbraw/zinc/47/22/79/399472279.db2.gz NOINQXVATCKJDP-MRXNPFEDSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423012206 296367505 /nfs/dbraw/zinc/36/75/05/296367505.db2.gz KHUVNIAVDZKEQA-KDOFPFPSSA-N 1 3 313.401 2.685 20 5 DFBDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091006 131047607 /nfs/dbraw/zinc/04/76/07/131047607.db2.gz MGTAEGVZZMHFHY-LBPRGKRZSA-N 1 3 318.421 2.702 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261918334 146301808 /nfs/dbraw/zinc/30/18/08/146301808.db2.gz HJRUAUAUGXZNLR-KRWDZBQOSA-N 1 3 303.406 2.601 20 5 DFBDHO Cc1c(CN2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000262035064 146325353 /nfs/dbraw/zinc/32/53/53/146325353.db2.gz ZISMSYRBJHRXIN-MRXNPFEDSA-N 1 3 303.406 2.867 20 5 DFBDHO Cc1cc(NCC[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262372562 146354980 /nfs/dbraw/zinc/35/49/80/146354980.db2.gz XPHIXXBVHMPBEZ-GFCCVEGCSA-N 1 3 300.362 2.863 20 5 DFBDHO CSC1(CNCc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000353234724 286586625 /nfs/dbraw/zinc/58/66/25/286586625.db2.gz YIDXHGGIWQGOCT-UHFFFAOYSA-N 1 3 309.435 2.512 20 5 DFBDHO C[N@H+]1CC=C(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889838 427489283 /nfs/dbraw/zinc/48/92/83/427489283.db2.gz YLOFUXOAMWTKSC-QGZVFWFLSA-N 1 3 301.390 2.824 20 5 DFBDHO C[N@@H+]1CC=C(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889838 427489287 /nfs/dbraw/zinc/48/92/87/427489287.db2.gz YLOFUXOAMWTKSC-QGZVFWFLSA-N 1 3 301.390 2.824 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000414777170 428404404 /nfs/dbraw/zinc/40/44/04/428404404.db2.gz GPUHNZWLDDHEMR-XJKSGUPXSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1c(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689045 428659966 /nfs/dbraw/zinc/65/99/66/428659966.db2.gz PQJVKDPVNJGWDS-INMHGKMJSA-N 1 3 303.406 2.866 20 5 DFBDHO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCNC1 ZINC000423324868 429066196 /nfs/dbraw/zinc/06/61/96/429066196.db2.gz BJSOFEISJRNTPL-WMZOPIPTSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@]1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000423324868 429066201 /nfs/dbraw/zinc/06/62/01/429066201.db2.gz BJSOFEISJRNTPL-WMZOPIPTSA-N 1 3 317.433 2.895 20 5 DFBDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566219 /nfs/dbraw/zinc/56/62/19/430566219.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566223 /nfs/dbraw/zinc/56/62/23/430566223.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566225 /nfs/dbraw/zinc/56/62/25/430566225.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566229 /nfs/dbraw/zinc/56/62/29/430566229.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473496 302290534 /nfs/dbraw/zinc/29/05/34/302290534.db2.gz BNOGYLNJMBOZCO-XJKSGUPXSA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433825 398425266 /nfs/dbraw/zinc/42/52/66/398425266.db2.gz YIYVRVAIPGGXQP-LSDHHAIUSA-N 1 3 303.406 2.806 20 5 DFBDHO C[C@@H]1C[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272634420 210038683 /nfs/dbraw/zinc/03/86/83/210038683.db2.gz NPDNTECENRAJKW-BXUZGUMPSA-N 1 3 311.813 2.863 20 5 DFBDHO C[C@@H]1C[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634420 210038684 /nfs/dbraw/zinc/03/86/84/210038684.db2.gz NPDNTECENRAJKW-BXUZGUMPSA-N 1 3 311.813 2.863 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@H]1CC[NH2+]C1 ZINC000414900367 295832167 /nfs/dbraw/zinc/83/21/67/295832167.db2.gz DNTKJAPXGALKSJ-DZKIICNBSA-N 1 3 303.406 2.505 20 5 DFBDHO Cc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591668407 398780304 /nfs/dbraw/zinc/78/03/04/398780304.db2.gz LIKXDHUPEJONEF-CQSZACIVSA-N 1 3 303.406 2.867 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1CC[NH+](C)CC1 ZINC000595009208 398891189 /nfs/dbraw/zinc/89/11/89/398891189.db2.gz BDONSEHVFQMXMD-LBPRGKRZSA-N 1 3 307.394 2.596 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000269035086 207184252 /nfs/dbraw/zinc/18/42/52/207184252.db2.gz FMDICDVCIHXTKF-DLBZAZTESA-N 1 3 323.437 2.992 20 5 DFBDHO Cc1c(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cccc1[N+](=O)[O-] ZINC000423077014 296375542 /nfs/dbraw/zinc/37/55/42/296375542.db2.gz LBEJMFMOMQXFOR-WMLDXEAASA-N 1 3 313.401 2.951 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000315231502 268342346 /nfs/dbraw/zinc/34/23/46/268342346.db2.gz PGMCGJVSLQEIMJ-TXEJJXNPSA-N 1 3 309.797 2.680 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000178411942 426623472 /nfs/dbraw/zinc/62/34/72/426623472.db2.gz DUZPKCFJKWRKQZ-KRWDZBQOSA-N 1 3 317.433 2.991 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000178411942 426623477 /nfs/dbraw/zinc/62/34/77/426623477.db2.gz DUZPKCFJKWRKQZ-KRWDZBQOSA-N 1 3 317.433 2.991 20 5 DFBDHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247190252 426915173 /nfs/dbraw/zinc/91/51/73/426915173.db2.gz VSSUVKVQQDCEPC-WMLDXEAASA-N 1 3 317.433 2.847 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774705 428400772 /nfs/dbraw/zinc/40/07/72/428400772.db2.gz YXMNCBJRNFCZQD-QFQOMTDXSA-N 1 3 301.390 2.539 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788577 428410272 /nfs/dbraw/zinc/41/02/72/428410272.db2.gz XCNHPCFJYRCRQH-OLZOCXBDSA-N 1 3 307.369 2.555 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414826047 428424947 /nfs/dbraw/zinc/42/49/47/428424947.db2.gz IAYHQIGSSXOIFP-HLLBOEOZSA-N 1 3 317.433 2.895 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCCC12CC[NH+](C)CC2 ZINC000368964347 429904117 /nfs/dbraw/zinc/90/41/17/429904117.db2.gz FTNQEIFMMCXTNN-UHFFFAOYSA-N 1 3 303.406 2.963 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000368964347 429904119 /nfs/dbraw/zinc/90/41/19/429904119.db2.gz FTNQEIFMMCXTNN-UHFFFAOYSA-N 1 3 303.406 2.963 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000368964347 429904121 /nfs/dbraw/zinc/90/41/21/429904121.db2.gz FTNQEIFMMCXTNN-UHFFFAOYSA-N 1 3 303.406 2.963 20 5 DFBDHO CCNCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822730 302161370 /nfs/dbraw/zinc/16/13/70/302161370.db2.gz QZTJVFUKLJHEFL-GOEBONIOSA-N 1 3 305.422 2.895 20 5 DFBDHO CC[NH2+]CCCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822730 302161374 /nfs/dbraw/zinc/16/13/74/302161374.db2.gz QZTJVFUKLJHEFL-GOEBONIOSA-N 1 3 305.422 2.895 20 5 DFBDHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473495 302290565 /nfs/dbraw/zinc/29/05/65/302290565.db2.gz BNOGYLNJMBOZCO-CZUORRHYSA-N 1 3 303.406 2.904 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001778 318098230 /nfs/dbraw/zinc/09/82/30/318098230.db2.gz IHBGEMVNADUBGB-CZUORRHYSA-N 1 3 321.421 2.529 20 5 DFBDHO COc1ccc(CNCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278529493 214216076 /nfs/dbraw/zinc/21/60/76/214216076.db2.gz UUBFOXGBNIFLSH-UHFFFAOYSA-N 1 3 319.405 2.567 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166035857 197686450 /nfs/dbraw/zinc/68/64/50/197686450.db2.gz GGUBKXVZILDGMV-CZUORRHYSA-N 1 3 309.410 2.602 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165980872 197685437 /nfs/dbraw/zinc/68/54/37/197685437.db2.gz HVLBMLBYSHMBOT-ZBFHGGJFSA-N 1 3 323.437 2.911 20 5 DFBDHO Cc1cc(NCCC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593233816 398577775 /nfs/dbraw/zinc/57/77/75/398577775.db2.gz WHJCQIAGSZDHHT-UHFFFAOYSA-N 1 3 314.389 2.675 20 5 DFBDHO CC[NH+]1CCC(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595011658 398891923 /nfs/dbraw/zinc/89/19/23/398891923.db2.gz KLZSAHZQNUMTHH-CYBMUJFWSA-N 1 3 321.421 2.986 20 5 DFBDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072046 398917279 /nfs/dbraw/zinc/91/72/79/398917279.db2.gz XAVNHBAFGGSLOE-CZUORRHYSA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1ccc(CN(CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420356751 296179283 /nfs/dbraw/zinc/17/92/83/296179283.db2.gz GXOIUIUCUCNRMI-CQSZACIVSA-N 1 3 303.406 2.949 20 5 DFBDHO C[NH+](C)CCCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679626 399517057 /nfs/dbraw/zinc/51/70/57/399517057.db2.gz ACYFOOFPCQXQGW-UHFFFAOYSA-N 1 3 320.393 2.946 20 5 DFBDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091002 131047667 /nfs/dbraw/zinc/04/76/67/131047667.db2.gz MGTAEGVZZMHFHY-GFCCVEGCSA-N 1 3 318.421 2.702 20 5 DFBDHO NCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352507919 286392389 /nfs/dbraw/zinc/39/23/89/286392389.db2.gz FAFSCDGGHVQQIW-UHFFFAOYSA-N 1 3 305.422 2.978 20 5 DFBDHO NCCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352507919 286392390 /nfs/dbraw/zinc/39/23/90/286392390.db2.gz FAFSCDGGHVQQIW-UHFFFAOYSA-N 1 3 305.422 2.978 20 5 DFBDHO [NH3+]CCCN(CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352507919 286392392 /nfs/dbraw/zinc/39/23/92/286392392.db2.gz FAFSCDGGHVQQIW-UHFFFAOYSA-N 1 3 305.422 2.978 20 5 DFBDHO CN1CCC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761087 425947119 /nfs/dbraw/zinc/94/71/19/425947119.db2.gz XBHDJOHZZVFPGF-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761087 425947120 /nfs/dbraw/zinc/94/71/20/425947120.db2.gz XBHDJOHZZVFPGF-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000165924395 426124973 /nfs/dbraw/zinc/12/49/73/426124973.db2.gz XNNCQQYRTAEJLG-XJKSGUPXSA-N 1 3 309.410 2.602 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414931330 428459735 /nfs/dbraw/zinc/45/97/35/428459735.db2.gz BPTPPMXUADEQBN-YQFWSFKMSA-N 1 3 317.433 2.894 20 5 DFBDHO CC[NH2+]CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347216378 428496063 /nfs/dbraw/zinc/49/60/63/428496063.db2.gz RMDAYSVBTLPWDC-ALCCZGGFSA-N 1 3 303.406 2.930 20 5 DFBDHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389820 428517190 /nfs/dbraw/zinc/51/71/90/428517190.db2.gz XIDMWOKZLDBQKX-ZNMIVQPWSA-N 1 3 319.405 2.566 20 5 DFBDHO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000423367256 429074183 /nfs/dbraw/zinc/07/41/83/429074183.db2.gz DIGLFBJPCZFKGY-WQVCFCJDSA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423367256 429074187 /nfs/dbraw/zinc/07/41/87/429074187.db2.gz DIGLFBJPCZFKGY-WQVCFCJDSA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393930 429079581 /nfs/dbraw/zinc/07/95/81/429079581.db2.gz MMINQQUFLURAJF-DAXOMENPSA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393930 429079585 /nfs/dbraw/zinc/07/95/85/429079585.db2.gz MMINQQUFLURAJF-DAXOMENPSA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@@H]1CN([C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)C[NH3+] ZINC000423503455 429100703 /nfs/dbraw/zinc/10/07/03/429100703.db2.gz DVHNBMJGWSNMGQ-FSPWUOQZSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@@H]1C[N@@H+]([C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)CN ZINC000423503455 429100713 /nfs/dbraw/zinc/10/07/13/429100713.db2.gz DVHNBMJGWSNMGQ-FSPWUOQZSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@@H]1C[N@H+]([C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)CN ZINC000423503455 429100715 /nfs/dbraw/zinc/10/07/15/429100715.db2.gz DVHNBMJGWSNMGQ-FSPWUOQZSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCC1(C)C ZINC000449784628 429510207 /nfs/dbraw/zinc/51/02/07/429510207.db2.gz XRSDSTNSCFPMDZ-CQSZACIVSA-N 1 3 305.422 2.990 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCC1(C)C ZINC000449784628 429510211 /nfs/dbraw/zinc/51/02/11/429510211.db2.gz XRSDSTNSCFPMDZ-CQSZACIVSA-N 1 3 305.422 2.990 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559601 317044909 /nfs/dbraw/zinc/04/49/09/317044909.db2.gz CBHYNDUJAXACPJ-WWTUQBGBSA-N 1 3 303.406 2.741 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559601 317044912 /nfs/dbraw/zinc/04/49/12/317044912.db2.gz CBHYNDUJAXACPJ-WWTUQBGBSA-N 1 3 303.406 2.741 20 5 DFBDHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889453 318048306 /nfs/dbraw/zinc/04/83/06/318048306.db2.gz AIVIQDATHGOXGR-CJNGLKHVSA-N 1 3 303.406 2.904 20 5 DFBDHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889453 318048309 /nfs/dbraw/zinc/04/83/09/318048309.db2.gz AIVIQDATHGOXGR-CJNGLKHVSA-N 1 3 303.406 2.904 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001779 318098022 /nfs/dbraw/zinc/09/80/22/318098022.db2.gz IHBGEMVNADUBGB-XJKSGUPXSA-N 1 3 321.421 2.529 20 5 DFBDHO Cc1cc(NCC[C@H](C)[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000596428090 398409979 /nfs/dbraw/zinc/40/99/79/398409979.db2.gz DUICNTAREKVNTR-LBPRGKRZSA-N 1 3 302.378 2.625 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000414899143 295832060 /nfs/dbraw/zinc/83/20/60/295832060.db2.gz CGLRKDAKWIEGCE-WMLDXEAASA-N 1 3 305.422 2.895 20 5 DFBDHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595063309 398900352 /nfs/dbraw/zinc/90/03/52/398900352.db2.gz PWTQKIIZOVQFJS-LSDHHAIUSA-N 1 3 322.453 2.517 20 5 DFBDHO Cc1cc(NCC[C@@H]([NH3+])C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000596030396 399152197 /nfs/dbraw/zinc/15/21/97/399152197.db2.gz XGLDXSRCHVBVNI-CQSZACIVSA-N 1 3 302.378 2.659 20 5 DFBDHO C[NH2+]CCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000346679966 284923572 /nfs/dbraw/zinc/92/35/72/284923572.db2.gz MNEKBXHQIWJDMI-GQCTYLIASA-N 1 3 303.406 2.930 20 5 DFBDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000422784143 296332301 /nfs/dbraw/zinc/33/23/01/296332301.db2.gz IFBJEWVNOFRRGZ-PBHICJAKSA-N 1 3 313.401 2.685 20 5 DFBDHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000347000335 285000951 /nfs/dbraw/zinc/00/09/51/285000951.db2.gz GEUVNTMTZWJMFU-MRXNPFEDSA-N 1 3 303.406 2.867 20 5 DFBDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039220 296370684 /nfs/dbraw/zinc/37/06/84/296370684.db2.gz FBLPRWWAAAXMPJ-BXUZGUMPSA-N 1 3 311.813 2.768 20 5 DFBDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414423 146067913 /nfs/dbraw/zinc/06/79/13/146067913.db2.gz CFXALTJLJMGIQV-YOEHRIQHSA-N 1 3 305.422 2.799 20 5 DFBDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414423 146067915 /nfs/dbraw/zinc/06/79/15/146067915.db2.gz CFXALTJLJMGIQV-YOEHRIQHSA-N 1 3 305.422 2.799 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000262062440 146328499 /nfs/dbraw/zinc/32/84/99/146328499.db2.gz FDCUBYCOQXUXAZ-BBWFWOEESA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357057819 158358079 /nfs/dbraw/zinc/35/80/79/158358079.db2.gz VAGUZGHZFNJDLS-OAHLLOKOSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357058676 158358272 /nfs/dbraw/zinc/35/82/72/158358272.db2.gz VYLJFALVXICBJH-MAVJXHJTSA-N 1 3 315.417 2.930 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165980995 426125553 /nfs/dbraw/zinc/12/55/53/426125553.db2.gz HVLBMLBYSHMBOT-GDBMZVCRSA-N 1 3 323.437 2.911 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292064147 427074726 /nfs/dbraw/zinc/07/47/26/427074726.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 1 3 303.406 2.992 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292064147 427074730 /nfs/dbraw/zinc/07/47/30/427074730.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 1 3 303.406 2.992 20 5 DFBDHO C[C@H]1C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682025 428373245 /nfs/dbraw/zinc/37/32/45/428373245.db2.gz XKCFXQMOXWDWIX-UONOGXRCSA-N 1 3 303.406 2.947 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414829166 428426968 /nfs/dbraw/zinc/42/69/68/428426968.db2.gz NFPJANSQCGAORU-NTQSIJHJSA-N 1 3 303.406 2.789 20 5 DFBDHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393933 429078760 /nfs/dbraw/zinc/07/87/60/429078760.db2.gz MMINQQUFLURAJF-WQVCFCJDSA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393933 429078762 /nfs/dbraw/zinc/07/87/62/429078762.db2.gz MMINQQUFLURAJF-WQVCFCJDSA-N 1 3 303.406 2.504 20 5 DFBDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088993 429328685 /nfs/dbraw/zinc/32/86/85/429328685.db2.gz CNPOKXSJVLFWFE-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088993 429328688 /nfs/dbraw/zinc/32/86/88/429328688.db2.gz CNPOKXSJVLFWFE-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088993 429328689 /nfs/dbraw/zinc/32/86/89/429328689.db2.gz CNPOKXSJVLFWFE-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CC(C)N(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537905 297307224 /nfs/dbraw/zinc/30/72/24/297307224.db2.gz ZHTFNBWGPYBRTQ-GJZGRUSLSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@H+](C)CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537905 297307226 /nfs/dbraw/zinc/30/72/26/297307226.db2.gz ZHTFNBWGPYBRTQ-GJZGRUSLSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@@H+](C)CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537905 297307228 /nfs/dbraw/zinc/30/72/28/297307228.db2.gz ZHTFNBWGPYBRTQ-GJZGRUSLSA-N 1 3 323.441 2.595 20 5 DFBDHO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNC1 ZINC000515413156 300305483 /nfs/dbraw/zinc/30/54/83/300305483.db2.gz OLBOKVFXKKCRFC-ZBFHGGJFSA-N 1 3 305.422 2.895 20 5 DFBDHO CC(C)[NH2+]CCCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000567639402 302375470 /nfs/dbraw/zinc/37/54/70/302375470.db2.gz MUPAQXMTCUNVDT-INIZCTEOSA-N 1 3 305.422 2.894 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165993519 315889011 /nfs/dbraw/zinc/88/90/11/315889011.db2.gz FGHNCCAGDQXXDF-ZBFHGGJFSA-N 1 3 323.437 2.911 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165994151 197685509 /nfs/dbraw/zinc/68/55/09/197685509.db2.gz JDSOZJUSNUJRHC-HUUCEWRRSA-N 1 3 323.437 2.911 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1(C)CC[NH+](C)CC1 ZINC000272645545 210049480 /nfs/dbraw/zinc/04/94/80/210049480.db2.gz ZULRBKAVQJBGOU-UHFFFAOYSA-N 1 3 321.421 2.815 20 5 DFBDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270453833 186394090 /nfs/dbraw/zinc/39/40/90/186394090.db2.gz LHKBCCGUELYLNV-OAHLLOKOSA-N 1 3 303.406 2.759 20 5 DFBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000414835325 295823934 /nfs/dbraw/zinc/82/39/34/295823934.db2.gz RNRQPIYQPZEUEY-ZDUSSCGKSA-N 1 3 315.373 2.944 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594734593 398851465 /nfs/dbraw/zinc/85/14/65/398851465.db2.gz CAGBNQXPYCGCJH-OAHLLOKOSA-N 1 3 303.406 2.806 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000595011977 398891682 /nfs/dbraw/zinc/89/16/82/398891682.db2.gz MIBSBBWGBRZXIP-ZDUSSCGKSA-N 1 3 321.421 2.986 20 5 DFBDHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595061671 398900621 /nfs/dbraw/zinc/90/06/21/398900621.db2.gz LVRBWXKMZNCDLZ-GJZGRUSLSA-N 1 3 322.453 2.517 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000596100720 399173290 /nfs/dbraw/zinc/17/32/90/399173290.db2.gz AXRGOAFIWULDFP-IFRCIOGXSA-N 1 3 315.417 2.648 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000269035087 207185609 /nfs/dbraw/zinc/18/56/09/207185609.db2.gz FMDICDVCIHXTKF-IAGOWNOFSA-N 1 3 323.437 2.992 20 5 DFBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000602522451 399467171 /nfs/dbraw/zinc/46/71/71/399467171.db2.gz VCFJEWDTMMOCRA-UHFFFAOYSA-N 1 3 303.406 2.744 20 5 DFBDHO O=[N+]([O-])c1ccc(CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422921310 296355568 /nfs/dbraw/zinc/35/55/68/296355568.db2.gz NRYTXOUQIKRSRP-XYPWUTKMSA-N 1 3 303.406 2.790 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH2+]C ZINC000423269928 296398892 /nfs/dbraw/zinc/39/88/92/296398892.db2.gz HJLLGTOEWADWRT-QWHCGFSZSA-N 1 3 311.451 2.911 20 5 DFBDHO COc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000352510922 286393175 /nfs/dbraw/zinc/39/31/75/286393175.db2.gz PKWACAGDDVRQLG-UHFFFAOYSA-N 1 3 321.421 2.944 20 5 DFBDHO Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000357042501 158355051 /nfs/dbraw/zinc/35/50/51/158355051.db2.gz DYNKOPKTNBWTMM-INIZCTEOSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC[NH2+]C2)CC1 ZINC000430961918 296815826 /nfs/dbraw/zinc/81/58/26/296815826.db2.gz FUSAFUZHFROKBH-HYXAFXHYSA-N 1 3 301.390 2.684 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166035609 426126459 /nfs/dbraw/zinc/12/64/59/426126459.db2.gz GGUBKXVZILDGMV-XJKSGUPXSA-N 1 3 309.410 2.602 20 5 DFBDHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN(C)C ZINC000293672801 427401981 /nfs/dbraw/zinc/40/19/81/427401981.db2.gz MTAXZXFCHJZTIG-BBRMVZONSA-N 1 3 305.422 2.703 20 5 DFBDHO Cc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785409 428408040 /nfs/dbraw/zinc/40/80/40/428408040.db2.gz SPFPCTUYYSCQCM-HOTGVXAUSA-N 1 3 303.406 2.725 20 5 DFBDHO N[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399733 429081990 /nfs/dbraw/zinc/08/19/90/429081990.db2.gz UWUYVPGARNTEOM-BZUAXINKSA-N 1 3 303.406 2.775 20 5 DFBDHO [NH3+][C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399733 429081993 /nfs/dbraw/zinc/08/19/93/429081993.db2.gz UWUYVPGARNTEOM-BZUAXINKSA-N 1 3 303.406 2.775 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292064141 281020281 /nfs/dbraw/zinc/02/02/81/281020281.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 1 3 303.406 2.992 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292064141 281020284 /nfs/dbraw/zinc/02/02/84/281020284.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 1 3 303.406 2.992 20 5 DFBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000446887420 297289556 /nfs/dbraw/zinc/28/95/56/297289556.db2.gz SLDVDWCKYHNJGK-UHFFFAOYSA-N 1 3 307.369 2.698 20 5 DFBDHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537906 297307367 /nfs/dbraw/zinc/30/73/67/297307367.db2.gz ZHTFNBWGPYBRTQ-HUUCEWRRSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@H+](C)CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537906 297307368 /nfs/dbraw/zinc/30/73/68/297307368.db2.gz ZHTFNBWGPYBRTQ-HUUCEWRRSA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537906 297307369 /nfs/dbraw/zinc/30/73/69/297307369.db2.gz ZHTFNBWGPYBRTQ-HUUCEWRRSA-N 1 3 323.441 2.595 20 5 DFBDHO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNC1 ZINC000515413154 300305498 /nfs/dbraw/zinc/30/54/98/300305498.db2.gz OLBOKVFXKKCRFC-GOEBONIOSA-N 1 3 305.422 2.895 20 5 DFBDHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822719 302161099 /nfs/dbraw/zinc/16/10/99/302161099.db2.gz QZTJVFUKLJHEFL-GDBMZVCRSA-N 1 3 305.422 2.895 20 5 DFBDHO CC[NH2+]CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822719 302161102 /nfs/dbraw/zinc/16/11/02/302161102.db2.gz QZTJVFUKLJHEFL-GDBMZVCRSA-N 1 3 305.422 2.895 20 5 DFBDHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889454 318048241 /nfs/dbraw/zinc/04/82/41/318048241.db2.gz AIVIQDATHGOXGR-CZUORRHYSA-N 1 3 303.406 2.904 20 5 DFBDHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889454 318048244 /nfs/dbraw/zinc/04/82/44/318048244.db2.gz AIVIQDATHGOXGR-CZUORRHYSA-N 1 3 303.406 2.904 20 5 DFBDHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759945 398408726 /nfs/dbraw/zinc/40/87/26/398408726.db2.gz DFYGCCKOQNNPCS-GUYCJALGSA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433636 398425063 /nfs/dbraw/zinc/42/50/63/398425063.db2.gz MXHOJXNIFCILRN-KBPBESRZSA-N 1 3 321.396 2.946 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735704 398852132 /nfs/dbraw/zinc/85/21/32/398852132.db2.gz NFFWJAHMMDHYNY-MRXNPFEDSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000595000591 398889250 /nfs/dbraw/zinc/88/92/50/398889250.db2.gz HAKQAHBACUNJJE-UHFFFAOYSA-N 1 3 303.406 2.806 20 5 DFBDHO CN1CCC[C@H](C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092253459 193180960 /nfs/dbraw/zinc/18/09/60/193180960.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 1 3 303.406 2.882 20 5 DFBDHO CN1CCC[C@H](C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092253459 193180962 /nfs/dbraw/zinc/18/09/62/193180962.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 1 3 303.406 2.882 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN(CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420354827 296179318 /nfs/dbraw/zinc/17/93/18/296179318.db2.gz DNOFQMRAJPNNDU-AWEZNQCLSA-N 1 3 303.406 2.949 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000423211972 296393197 /nfs/dbraw/zinc/39/31/97/296393197.db2.gz LIVDQFHMQHIKSS-CZUORRHYSA-N 1 3 303.406 2.505 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423211972 296393198 /nfs/dbraw/zinc/39/31/98/296393198.db2.gz LIVDQFHMQHIKSS-CZUORRHYSA-N 1 3 303.406 2.505 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000423348459 296407128 /nfs/dbraw/zinc/40/71/28/296407128.db2.gz TWNZSZPWZSWWEK-CHWSQXEVSA-N 1 3 309.435 2.665 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000262062452 146328419 /nfs/dbraw/zinc/32/84/19/146328419.db2.gz FDCUBYCOQXUXAZ-ZACQAIPSSA-N 1 3 303.406 2.648 20 5 DFBDHO CC(C)(C)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178734198 426683955 /nfs/dbraw/zinc/68/39/55/426683955.db2.gz GSFVYTCWBMPIHV-UHFFFAOYSA-N 1 3 305.422 2.990 20 5 DFBDHO CC(C)(C)[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178734198 426683960 /nfs/dbraw/zinc/68/39/60/426683960.db2.gz GSFVYTCWBMPIHV-UHFFFAOYSA-N 1 3 305.422 2.990 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293660821 427395811 /nfs/dbraw/zinc/39/58/11/427395811.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 1 3 303.406 2.821 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293660821 427395818 /nfs/dbraw/zinc/39/58/18/427395818.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 1 3 303.406 2.821 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCN(C)CC1 ZINC000271825696 427588147 /nfs/dbraw/zinc/58/81/47/427588147.db2.gz DCJVLEVOEAFCIU-CQSZACIVSA-N 1 3 303.406 2.767 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058900 428504624 /nfs/dbraw/zinc/50/46/24/428504624.db2.gz SGFWZZWXKAGXCP-JKIFEVAISA-N 1 3 305.422 2.833 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058900 428504630 /nfs/dbraw/zinc/50/46/30/428504630.db2.gz SGFWZZWXKAGXCP-JKIFEVAISA-N 1 3 305.422 2.833 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414972095 428479140 /nfs/dbraw/zinc/47/91/40/428479140.db2.gz LYBSUPNSPASAQC-AWEZNQCLSA-N 1 3 307.394 2.615 20 5 DFBDHO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN(C)C ZINC000293672809 274225631 /nfs/dbraw/zinc/22/56/31/274225631.db2.gz MTAXZXFCHJZTIG-XJKSGUPXSA-N 1 3 305.422 2.703 20 5 DFBDHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104236 429333620 /nfs/dbraw/zinc/33/36/20/429333620.db2.gz FHBHCMWKBNFGHD-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104236 429333623 /nfs/dbraw/zinc/33/36/23/429333623.db2.gz FHBHCMWKBNFGHD-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO Cc1cc(NC[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262070156 280627058 /nfs/dbraw/zinc/62/70/58/280627058.db2.gz FYTSGEJHBVSGGA-LBPRGKRZSA-N 1 3 300.362 2.863 20 5 DFBDHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537904 297307259 /nfs/dbraw/zinc/30/72/59/297307259.db2.gz ZHTFNBWGPYBRTQ-CABCVRRESA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@H+](C)CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537904 297307261 /nfs/dbraw/zinc/30/72/61/297307261.db2.gz ZHTFNBWGPYBRTQ-CABCVRRESA-N 1 3 323.441 2.595 20 5 DFBDHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537904 297307263 /nfs/dbraw/zinc/30/72/63/297307263.db2.gz ZHTFNBWGPYBRTQ-CABCVRRESA-N 1 3 323.441 2.595 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433638 398425354 /nfs/dbraw/zinc/42/53/54/398425354.db2.gz MXHOJXNIFCILRN-UONOGXRCSA-N 1 3 321.396 2.946 20 5 DFBDHO C[C@H]1C[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272634423 210036887 /nfs/dbraw/zinc/03/68/87/210036887.db2.gz NPDNTECENRAJKW-FZMZJTMJSA-N 1 3 311.813 2.863 20 5 DFBDHO C[C@H]1C[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634423 210036889 /nfs/dbraw/zinc/03/68/89/210036889.db2.gz NPDNTECENRAJKW-FZMZJTMJSA-N 1 3 311.813 2.863 20 5 DFBDHO CCOc1ccc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579288 398773794 /nfs/dbraw/zinc/77/37/94/398773794.db2.gz GAHHHLCYBANRQL-BLLLJJGKSA-N 1 3 319.405 2.786 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000595046613 398897115 /nfs/dbraw/zinc/89/71/15/398897115.db2.gz LKXFIVQDEYOPSE-BZPMIXESSA-N 1 3 307.394 2.594 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000595051260 398898086 /nfs/dbraw/zinc/89/80/86/398898086.db2.gz MRGKXBXCUVKCPO-KBPBESRZSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000595051260 398898093 /nfs/dbraw/zinc/89/80/93/398898093.db2.gz MRGKXBXCUVKCPO-KBPBESRZSA-N 1 3 321.421 2.986 20 5 DFBDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863621 296122865 /nfs/dbraw/zinc/12/28/65/296122865.db2.gz BPJMVUWRPHLQNM-CYBMUJFWSA-N 1 3 306.410 2.704 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000269036177 207185621 /nfs/dbraw/zinc/18/56/21/207185621.db2.gz FMDICDVCIHXTKF-SJORKVTESA-N 1 3 323.437 2.992 20 5 DFBDHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000423043957 296371348 /nfs/dbraw/zinc/37/13/48/296371348.db2.gz QFKBXRKRYDNOBZ-BXUZGUMPSA-N 1 3 311.813 2.911 20 5 DFBDHO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000423043958 296371382 /nfs/dbraw/zinc/37/13/82/296371382.db2.gz QFKBXRKRYDNOBZ-FZMZJTMJSA-N 1 3 311.813 2.911 20 5 DFBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181720 296389286 /nfs/dbraw/zinc/38/92/86/296389286.db2.gz PIVDCUICBSSSEW-UONOGXRCSA-N 1 3 321.425 2.526 20 5 DFBDHO CCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423349163 296407497 /nfs/dbraw/zinc/40/74/97/296407497.db2.gz VVMMQKGBSUUOQS-GFCCVEGCSA-N 1 3 305.378 2.564 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602876784 399612670 /nfs/dbraw/zinc/61/26/70/399612670.db2.gz AJNKAZAOJFVUJY-UHFFFAOYSA-N 1 3 319.405 2.521 20 5 DFBDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414422 146067787 /nfs/dbraw/zinc/06/77/87/146067787.db2.gz CFXALTJLJMGIQV-WMLDXEAASA-N 1 3 305.422 2.799 20 5 DFBDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414422 146067789 /nfs/dbraw/zinc/06/77/89/146067789.db2.gz CFXALTJLJMGIQV-WMLDXEAASA-N 1 3 305.422 2.799 20 5 DFBDHO Cc1c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000262035047 146324826 /nfs/dbraw/zinc/32/48/26/146324826.db2.gz ZISMSYRBJHRXIN-INIZCTEOSA-N 1 3 303.406 2.867 20 5 DFBDHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861886 272378291 /nfs/dbraw/zinc/37/82/91/272378291.db2.gz KGDJHJRVBUFCJC-MBSJSRAVSA-N 1 3 303.406 2.930 20 5 DFBDHO CC[N@H+]1CC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861886 272378294 /nfs/dbraw/zinc/37/82/94/272378294.db2.gz KGDJHJRVBUFCJC-MBSJSRAVSA-N 1 3 303.406 2.930 20 5 DFBDHO CCN1CC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861886 272378296 /nfs/dbraw/zinc/37/82/96/272378296.db2.gz KGDJHJRVBUFCJC-MBSJSRAVSA-N 1 3 303.406 2.930 20 5 DFBDHO Cc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785413 428405805 /nfs/dbraw/zinc/40/58/05/428405805.db2.gz SPFPCTUYYSCQCM-JKSUJKDBSA-N 1 3 303.406 2.725 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058899 428504847 /nfs/dbraw/zinc/50/48/47/428504847.db2.gz SGFWZZWXKAGXCP-CKEIUWERSA-N 1 3 305.422 2.833 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415058899 428504848 /nfs/dbraw/zinc/50/48/48/428504848.db2.gz SGFWZZWXKAGXCP-CKEIUWERSA-N 1 3 305.422 2.833 20 5 DFBDHO Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689051 428659096 /nfs/dbraw/zinc/65/90/96/428659096.db2.gz PQJVKDPVNJGWDS-ZMSDIMECSA-N 1 3 303.406 2.866 20 5 DFBDHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000449090114 429329385 /nfs/dbraw/zinc/32/93/85/429329385.db2.gz MUGBFEHOISVSPO-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](CN[C@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000449090114 429329387 /nfs/dbraw/zinc/32/93/87/429329387.db2.gz MUGBFEHOISVSPO-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104234 429333490 /nfs/dbraw/zinc/33/34/90/429333490.db2.gz FHBHCMWKBNFGHD-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104234 429333495 /nfs/dbraw/zinc/33/34/95/429333495.db2.gz FHBHCMWKBNFGHD-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506893 297305622 /nfs/dbraw/zinc/30/56/22/297305622.db2.gz FQEINOVSNOBIIF-CABCVRRESA-N 1 3 323.441 2.597 20 5 DFBDHO CC[NH+](CC)CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506893 297305623 /nfs/dbraw/zinc/30/56/23/297305623.db2.gz FQEINOVSNOBIIF-CABCVRRESA-N 1 3 323.441 2.597 20 5 DFBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000515388402 300304502 /nfs/dbraw/zinc/30/45/02/300304502.db2.gz ATIKAWJITVONAJ-MLGOLLRUSA-N 1 3 301.390 2.656 20 5 DFBDHO CCN1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473493 302290655 /nfs/dbraw/zinc/29/06/55/302290655.db2.gz BNOGYLNJMBOZCO-BBRMVZONSA-N 1 3 303.406 2.904 20 5 DFBDHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473494 302290754 /nfs/dbraw/zinc/29/07/54/302290754.db2.gz BNOGYLNJMBOZCO-CJNGLKHVSA-N 1 3 303.406 2.904 20 5 DFBDHO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000583375395 323843894 /nfs/dbraw/zinc/84/38/94/323843894.db2.gz AWTIQHMUCVNNEH-DGCLKSJQSA-N 1 3 311.813 2.768 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000591578295 398773821 /nfs/dbraw/zinc/77/38/21/398773821.db2.gz NAMYMWHPVBWIET-HZPDHXFCSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000591578295 398773824 /nfs/dbraw/zinc/77/38/24/398773824.db2.gz NAMYMWHPVBWIET-HZPDHXFCSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1cc(NCCC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420277129 296168308 /nfs/dbraw/zinc/16/83/08/296168308.db2.gz IGXYGHUHNSUTDM-CYBMUJFWSA-N 1 3 314.389 2.817 20 5 DFBDHO Cc1c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327977 296176236 /nfs/dbraw/zinc/17/62/36/296176236.db2.gz LZOMHTORAPAJTE-GDBMZVCRSA-N 1 3 303.406 2.725 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000269035090 207184007 /nfs/dbraw/zinc/18/40/07/207184007.db2.gz FMDICDVCIHXTKF-IRXDYDNUSA-N 1 3 323.437 2.992 20 5 DFBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423017847 296368080 /nfs/dbraw/zinc/36/80/80/296368080.db2.gz XFVPIYKYQNCFJT-BBWFWOEESA-N 1 3 303.406 2.648 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCNCC1 ZINC000423189714 296390432 /nfs/dbraw/zinc/39/04/32/296390432.db2.gz RCFBAHMHJUXADR-LBPRGKRZSA-N 1 3 309.435 2.807 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CC1 ZINC000423274433 296399458 /nfs/dbraw/zinc/39/94/58/296399458.db2.gz KLXKYQXMKLSDHK-QWHCGFSZSA-N 1 3 309.435 2.792 20 5 DFBDHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000602876825 399611963 /nfs/dbraw/zinc/61/19/63/399611963.db2.gz BRUUVFQZIJBRKS-UHFFFAOYSA-N 1 3 319.405 2.521 20 5 DFBDHO CN1CCC[C@@H](C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255029013 146230748 /nfs/dbraw/zinc/23/07/48/146230748.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 1 3 303.406 2.882 20 5 DFBDHO CN1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255029013 146230751 /nfs/dbraw/zinc/23/07/51/146230751.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 1 3 303.406 2.882 20 5 DFBDHO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444851 /nfs/dbraw/zinc/44/48/51/426444851.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 1 3 307.394 2.518 20 5 DFBDHO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444853 /nfs/dbraw/zinc/44/48/53/426444853.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 1 3 307.394 2.518 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347004697 428404442 /nfs/dbraw/zinc/40/44/42/428404442.db2.gz ARCLMTOEHJHSAL-KRWDZBQOSA-N 1 3 303.406 2.867 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000414899140 428450385 /nfs/dbraw/zinc/45/03/85/428450385.db2.gz CGLRKDAKWIEGCE-RHSMWYFYSA-N 1 3 305.422 2.895 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000449088900 429328616 /nfs/dbraw/zinc/32/86/16/429328616.db2.gz JBIMDHGCKRHNSF-AWEZNQCLSA-N 1 3 317.433 2.990 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449092574 429328625 /nfs/dbraw/zinc/32/86/25/429328625.db2.gz UORJYOAJEJLZPV-BMFZPTHFSA-N 1 3 303.406 2.742 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449092574 429328628 /nfs/dbraw/zinc/32/86/28/429328628.db2.gz UORJYOAJEJLZPV-BMFZPTHFSA-N 1 3 303.406 2.742 20 5 DFBDHO C[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000367609801 429683842 /nfs/dbraw/zinc/68/38/42/429683842.db2.gz XTPOTUXYQBUNLA-ZOBUZTSGSA-N 1 3 303.406 2.600 20 5 DFBDHO C[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000367609801 429683846 /nfs/dbraw/zinc/68/38/46/429683846.db2.gz XTPOTUXYQBUNLA-ZOBUZTSGSA-N 1 3 303.406 2.600 20 5 DFBDHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506897 297305635 /nfs/dbraw/zinc/30/56/35/297305635.db2.gz FQEINOVSNOBIIF-LSDHHAIUSA-N 1 3 323.441 2.597 20 5 DFBDHO CC[NH+](CC)CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506897 297305637 /nfs/dbraw/zinc/30/56/37/297305637.db2.gz FQEINOVSNOBIIF-LSDHHAIUSA-N 1 3 323.441 2.597 20 5 DFBDHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889451 318048181 /nfs/dbraw/zinc/04/81/81/318048181.db2.gz AIVIQDATHGOXGR-BBRMVZONSA-N 1 3 303.406 2.904 20 5 DFBDHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889451 318048183 /nfs/dbraw/zinc/04/81/83/318048183.db2.gz AIVIQDATHGOXGR-BBRMVZONSA-N 1 3 303.406 2.904 20 5 DFBDHO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000583375397 323844143 /nfs/dbraw/zinc/84/41/43/323844143.db2.gz AWTIQHMUCVNNEH-YPMHNXCESA-N 1 3 311.813 2.768 20 5 DFBDHO [NH3+]C1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000596648176 398471522 /nfs/dbraw/zinc/47/15/22/398471522.db2.gz KPDSJEBWVBHKJH-HNNXBMFYSA-N 1 3 303.406 2.777 20 5 DFBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@H]3CC[NH2+]C3)o2)cc1 ZINC000414835322 295823970 /nfs/dbraw/zinc/82/39/70/295823970.db2.gz RNRQPIYQPZEUEY-CYBMUJFWSA-N 1 3 315.373 2.944 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@@H]1CC[NH2+]C1 ZINC000414900376 295832218 /nfs/dbraw/zinc/83/22/18/295832218.db2.gz DNTKJAPXGALKSJ-YCPHGPKFSA-N 1 3 303.406 2.505 20 5 DFBDHO C[C@H](CCCC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415011740 295847132 /nfs/dbraw/zinc/84/71/32/295847132.db2.gz IEHSQOLIOOBCFN-SNVBAGLBSA-N 1 3 317.336 2.803 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594734594 398850971 /nfs/dbraw/zinc/85/09/71/398850971.db2.gz CAPGVUZMKKNVRP-HNNXBMFYSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000595001064 398889526 /nfs/dbraw/zinc/88/95/26/398889526.db2.gz PXCWEIJLZPNYIE-UHFFFAOYSA-N 1 3 303.406 2.806 20 5 DFBDHO CN1CCCC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994335 398904994 /nfs/dbraw/zinc/90/49/94/398904994.db2.gz KGUZIADPTRDGLP-PPYMECGQSA-N 1 3 303.406 2.930 20 5 DFBDHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953022 /nfs/dbraw/zinc/95/30/22/398953022.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 1 3 303.406 2.555 20 5 DFBDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953023 /nfs/dbraw/zinc/95/30/23/398953023.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 1 3 303.406 2.555 20 5 DFBDHO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000602631742 399496419 /nfs/dbraw/zinc/49/64/19/399496419.db2.gz RIIFZQPSPNWVLC-UHFFFAOYSA-N 1 3 305.422 2.849 20 5 DFBDHO CC(C)(CNCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000602631742 399496424 /nfs/dbraw/zinc/49/64/24/399496424.db2.gz RIIFZQPSPNWVLC-UHFFFAOYSA-N 1 3 305.422 2.849 20 5 DFBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423017849 296368201 /nfs/dbraw/zinc/36/82/01/296368201.db2.gz XFVPIYKYQNCFJT-BRWVUGGUSA-N 1 3 303.406 2.648 20 5 DFBDHO CN1CCC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298997 /nfs/dbraw/zinc/29/89/97/197298997.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298999 /nfs/dbraw/zinc/29/89/99/197298999.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CCC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164509 /nfs/dbraw/zinc/16/45/09/158164509.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164512 /nfs/dbraw/zinc/16/45/12/158164512.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 3 303.406 2.553 20 5 DFBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090184 287145105 /nfs/dbraw/zinc/14/51/05/287145105.db2.gz RBHYJXIJGMEQDK-BBRMVZONSA-N 1 3 303.406 2.977 20 5 DFBDHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000075860345 426088010 /nfs/dbraw/zinc/08/80/10/426088010.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 1 3 305.422 2.944 20 5 DFBDHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000075860345 426088011 /nfs/dbraw/zinc/08/80/11/426088011.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 1 3 305.422 2.944 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165993654 426125837 /nfs/dbraw/zinc/12/58/37/426125837.db2.gz FGHNCCAGDQXXDF-GDBMZVCRSA-N 1 3 323.437 2.911 20 5 DFBDHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338354731 427271223 /nfs/dbraw/zinc/27/12/23/427271223.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 1 3 305.422 2.944 20 5 DFBDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338354731 427271229 /nfs/dbraw/zinc/27/12/29/427271229.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 1 3 305.422 2.944 20 5 DFBDHO COc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302031 429122585 /nfs/dbraw/zinc/12/25/85/429122585.db2.gz YTMTZGCBWVEDFU-CYBMUJFWSA-N 1 3 319.405 2.567 20 5 DFBDHO CC[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104235 429333422 /nfs/dbraw/zinc/33/34/22/429333422.db2.gz FHBHCMWKBNFGHD-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO CC[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104235 429333427 /nfs/dbraw/zinc/33/34/27/429333427.db2.gz FHBHCMWKBNFGHD-HUUCEWRRSA-N 1 3 305.422 2.847 20 5 DFBDHO Cc1cc(NCCC[NH2+]C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000571063387 430601272 /nfs/dbraw/zinc/60/12/72/430601272.db2.gz HKVGMPVMUFTNAY-UHFFFAOYSA-N 1 3 302.378 2.673 20 5 DFBDHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889455 318048198 /nfs/dbraw/zinc/04/81/98/318048198.db2.gz AIVIQDATHGOXGR-XJKSGUPXSA-N 1 3 303.406 2.904 20 5 DFBDHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889455 318048200 /nfs/dbraw/zinc/04/82/00/318048200.db2.gz AIVIQDATHGOXGR-XJKSGUPXSA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433639 398425199 /nfs/dbraw/zinc/42/51/99/398425199.db2.gz MXHOJXNIFCILRN-ZIAGYGMSSA-N 1 3 321.396 2.946 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000591578293 398772965 /nfs/dbraw/zinc/77/29/65/398772965.db2.gz NAMYMWHPVBWIET-CVEARBPZSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000591578293 398772970 /nfs/dbraw/zinc/77/29/70/398772970.db2.gz NAMYMWHPVBWIET-CVEARBPZSA-N 1 3 303.406 2.648 20 5 DFBDHO CCOc1ccc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579295 398773929 /nfs/dbraw/zinc/77/39/29/398773929.db2.gz GAHHHLCYBANRQL-WBMJQRKESA-N 1 3 319.405 2.786 20 5 DFBDHO C[NH+](C)CCOCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329010 296010800 /nfs/dbraw/zinc/01/08/00/296010800.db2.gz JCCAOWVMDAZFGI-KRWDZBQOSA-N 1 3 321.421 2.530 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329236 296176039 /nfs/dbraw/zinc/17/60/39/296176039.db2.gz ODBUTCVMPARGMP-RBSFLKMASA-N 1 3 303.406 2.977 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN(CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420354828 296179154 /nfs/dbraw/zinc/17/91/54/296179154.db2.gz DNOFQMRAJPNNDU-CQSZACIVSA-N 1 3 303.406 2.949 20 5 DFBDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422740155 296324584 /nfs/dbraw/zinc/32/45/84/296324584.db2.gz MNFJUIZKTQGOCV-RDTXWAMCSA-N 1 3 313.401 2.685 20 5 DFBDHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000347000333 285000958 /nfs/dbraw/zinc/00/09/58/285000958.db2.gz GEUVNTMTZWJMFU-INIZCTEOSA-N 1 3 303.406 2.867 20 5 DFBDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039221 296370490 /nfs/dbraw/zinc/37/04/90/296370490.db2.gz FBLPRWWAAAXMPJ-FZMZJTMJSA-N 1 3 311.813 2.768 20 5 DFBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181719 296389431 /nfs/dbraw/zinc/38/94/31/296389431.db2.gz PIVDCUICBSSSEW-KGLIPLIRSA-N 1 3 321.425 2.526 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171386698 145264063 /nfs/dbraw/zinc/26/40/63/145264063.db2.gz FLSUUPMHWQOFSK-UHFFFAOYSA-N 1 3 317.433 2.945 20 5 DFBDHO C[NH+](C)CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000350145004 286010588 /nfs/dbraw/zinc/01/05/88/286010588.db2.gz GPUBEWGRTSVKSA-FNORWQNLSA-N 1 3 303.406 2.882 20 5 DFBDHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000131438507 196169120 /nfs/dbraw/zinc/16/91/20/196169120.db2.gz MJZIYCFHCQCEHD-HUUCEWRRSA-N 1 3 321.421 2.574 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000285605997 427285896 /nfs/dbraw/zinc/28/58/96/427285896.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 1 3 319.405 2.531 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000285605997 427285897 /nfs/dbraw/zinc/28/58/97/427285897.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 1 3 319.405 2.531 20 5 DFBDHO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000271172112 427430819 /nfs/dbraw/zinc/43/08/19/427430819.db2.gz UJUMSGGAWRCHRF-OLZOCXBDSA-N 1 3 309.410 2.984 20 5 DFBDHO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000271172110 427431746 /nfs/dbraw/zinc/43/17/46/427431746.db2.gz UJUMSGGAWRCHRF-CHWSQXEVSA-N 1 3 309.410 2.984 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347004698 272710454 /nfs/dbraw/zinc/71/04/54/272710454.db2.gz ARCLMTOEHJHSAL-QGZVFWFLSA-N 1 3 303.406 2.867 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414856549 428436301 /nfs/dbraw/zinc/43/63/01/428436301.db2.gz OIBGWHHIZXOMBJ-IIAWOOMASA-N 1 3 305.422 2.894 20 5 DFBDHO Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689040 428659697 /nfs/dbraw/zinc/65/96/97/428659697.db2.gz PQJVKDPVNJGWDS-BFYDXBDKSA-N 1 3 303.406 2.866 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393932 429078523 /nfs/dbraw/zinc/07/85/23/429078523.db2.gz MMINQQUFLURAJF-UHOFOFEASA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393932 429078525 /nfs/dbraw/zinc/07/85/25/429078525.db2.gz MMINQQUFLURAJF-UHOFOFEASA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN1CCCC1 ZINC000449090115 429329310 /nfs/dbraw/zinc/32/93/10/429329310.db2.gz MUGBFEHOISVSPO-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH+]1CCCC1 ZINC000449090115 429329311 /nfs/dbraw/zinc/32/93/11/429329311.db2.gz MUGBFEHOISVSPO-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000583375394 430389287 /nfs/dbraw/zinc/38/92/87/430389287.db2.gz AWTIQHMUCVNNEH-AAEUAGOBSA-N 1 3 311.813 2.768 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292064158 281022761 /nfs/dbraw/zinc/02/27/61/281022761.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 1 3 303.406 2.992 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292064158 281022762 /nfs/dbraw/zinc/02/27/62/281022762.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 1 3 303.406 2.992 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090187 290250408 /nfs/dbraw/zinc/25/04/08/290250408.db2.gz RBHYJXIJGMEQDK-CZUORRHYSA-N 1 3 303.406 2.977 20 5 DFBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000515388400 300304480 /nfs/dbraw/zinc/30/44/80/300304480.db2.gz ATIKAWJITVONAJ-BLLLJJGKSA-N 1 3 301.390 2.656 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414826049 295822450 /nfs/dbraw/zinc/82/24/50/295822450.db2.gz IAYHQIGSSXOIFP-YQQAZPJKSA-N 1 3 317.433 2.895 20 5 DFBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@H]3CC[NH2+]C3)o2)c1 ZINC000414832765 295823847 /nfs/dbraw/zinc/82/38/47/295823847.db2.gz OTUJCKFOUVNFNP-CYBMUJFWSA-N 1 3 315.373 2.944 20 5 DFBDHO Cc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591668406 398780094 /nfs/dbraw/zinc/78/00/94/398780094.db2.gz LIKXDHUPEJONEF-AWEZNQCLSA-N 1 3 303.406 2.867 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736551 398852469 /nfs/dbraw/zinc/85/24/69/398852469.db2.gz RNBYIZDHGLXAPG-INIZCTEOSA-N 1 3 303.406 2.806 20 5 DFBDHO C[N@H+](CCCCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602689031 399521907 /nfs/dbraw/zinc/52/19/07/399521907.db2.gz VISISLLBZPHWCR-UHFFFAOYSA-N 1 3 318.377 2.700 20 5 DFBDHO C[N@@H+](CCCCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602689031 399521911 /nfs/dbraw/zinc/52/19/11/399521911.db2.gz VISISLLBZPHWCR-UHFFFAOYSA-N 1 3 318.377 2.700 20 5 DFBDHO CN1CCC[C@H](C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255029009 146231267 /nfs/dbraw/zinc/23/12/67/146231267.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 1 3 303.406 2.882 20 5 DFBDHO CN1CCC[C@H](C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255029009 146231269 /nfs/dbraw/zinc/23/12/69/146231269.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 1 3 303.406 2.882 20 5 DFBDHO C[NH+](C)CCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223144 425902288 /nfs/dbraw/zinc/90/22/88/425902288.db2.gz VLAJDSTXHDKMCJ-UHFFFAOYSA-N 1 3 321.421 2.637 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165994026 426126242 /nfs/dbraw/zinc/12/62/42/426126242.db2.gz JDSOZJUSNUJRHC-CABCVRRESA-N 1 3 323.437 2.911 20 5 DFBDHO C[N@H+]1CC=C(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889832 427490711 /nfs/dbraw/zinc/49/07/11/427490711.db2.gz YLOFUXOAMWTKSC-KRWDZBQOSA-N 1 3 301.390 2.824 20 5 DFBDHO C[N@@H+]1CC=C(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889832 427490717 /nfs/dbraw/zinc/49/07/17/427490717.db2.gz YLOFUXOAMWTKSC-KRWDZBQOSA-N 1 3 301.390 2.824 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCN(C)CC1 ZINC000271825694 427590019 /nfs/dbraw/zinc/59/00/19/427590019.db2.gz DCJVLEVOEAFCIU-AWEZNQCLSA-N 1 3 303.406 2.767 20 5 DFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCN(C)CC1 ZINC000344755483 272365257 /nfs/dbraw/zinc/36/52/57/272365257.db2.gz CSINIQGIRULILH-GXDHUFHOSA-N 1 3 301.390 2.850 20 5 DFBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@@H]2CC[NH2+]C2)o1 ZINC000414824089 428423676 /nfs/dbraw/zinc/42/36/76/428423676.db2.gz ABDGAYRXKFGDCF-ZDUSSCGKSA-N 1 3 315.373 2.944 20 5 DFBDHO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCNC1 ZINC000423324864 429065156 /nfs/dbraw/zinc/06/51/56/429065156.db2.gz BJSOFEISJRNTPL-FUHWJXTLSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@@]1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000423324864 429065160 /nfs/dbraw/zinc/06/51/60/429065160.db2.gz BJSOFEISJRNTPL-FUHWJXTLSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352727 429071270 /nfs/dbraw/zinc/07/12/70/429071270.db2.gz AKCZCIQGTRNSBJ-SRABZTEZSA-N 1 3 317.433 2.894 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423385953 429078835 /nfs/dbraw/zinc/07/88/35/429078835.db2.gz LNDRCIPVNILQHP-CYBMUJFWSA-N 1 3 311.385 2.919 20 5 DFBDHO C[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000367609800 429685682 /nfs/dbraw/zinc/68/56/82/429685682.db2.gz XTPOTUXYQBUNLA-YQQAZPJKSA-N 1 3 303.406 2.600 20 5 DFBDHO C[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000367609800 429685685 /nfs/dbraw/zinc/68/56/85/429685685.db2.gz XTPOTUXYQBUNLA-YQQAZPJKSA-N 1 3 303.406 2.600 20 5 DFBDHO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000583375396 323844401 /nfs/dbraw/zinc/84/44/01/323844401.db2.gz AWTIQHMUCVNNEH-WCQYABFASA-N 1 3 311.813 2.768 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433765 398425335 /nfs/dbraw/zinc/42/53/35/398425335.db2.gz TZZWBRDMZRVUKB-JKSUJKDBSA-N 1 3 303.406 2.806 20 5 DFBDHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414995694 295845198 /nfs/dbraw/zinc/84/51/98/295845198.db2.gz NUKIYBUJMFEKAQ-BTOWRCTQSA-N 1 3 309.797 2.854 20 5 DFBDHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384338 /nfs/dbraw/zinc/38/43/38/198384338.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 1 3 305.422 2.799 20 5 DFBDHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384339 /nfs/dbraw/zinc/38/43/39/198384339.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 1 3 305.422 2.799 20 5 DFBDHO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000594592278 398825860 /nfs/dbraw/zinc/82/58/60/398825860.db2.gz PBDGOGNQPZIAEF-XBXGTLAGSA-N 1 3 314.389 2.625 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000595046614 398897471 /nfs/dbraw/zinc/89/74/71/398897471.db2.gz LKXFIVQDEYOPSE-SGMGOOAPSA-N 1 3 307.394 2.594 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000595051263 398897969 /nfs/dbraw/zinc/89/79/69/398897969.db2.gz MRGKXBXCUVKCPO-ZIAGYGMSSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000595051263 398897973 /nfs/dbraw/zinc/89/79/73/398897973.db2.gz MRGKXBXCUVKCPO-ZIAGYGMSSA-N 1 3 321.421 2.986 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329233 296176021 /nfs/dbraw/zinc/17/60/21/296176021.db2.gz ODBUTCVMPARGMP-ILXRZTDVSA-N 1 3 303.406 2.977 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344105 296178221 /nfs/dbraw/zinc/17/82/21/296178221.db2.gz SBTPPPUGXCLPCP-VNQPRFMTSA-N 1 3 303.406 2.977 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000596100721 399172874 /nfs/dbraw/zinc/17/28/74/399172874.db2.gz AXRGOAFIWULDFP-NOAVELHRSA-N 1 3 315.417 2.648 20 5 DFBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422735193 296323705 /nfs/dbraw/zinc/32/37/05/296323705.db2.gz DOLFFSOSZUFCPU-GFCCVEGCSA-N 1 3 314.389 2.650 20 5 DFBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422795526 296334368 /nfs/dbraw/zinc/33/43/68/296334368.db2.gz VWNYZEISKRELOW-XHSDSOJGSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423015470 296368002 /nfs/dbraw/zinc/36/80/02/296368002.db2.gz RBXJDHIZBHUMBL-GFCCVEGCSA-N 1 3 314.389 2.650 20 5 DFBDHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039223 296370632 /nfs/dbraw/zinc/37/06/32/296370632.db2.gz FBLPRWWAAAXMPJ-SMDDNHRTSA-N 1 3 311.813 2.768 20 5 DFBDHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039954 296370730 /nfs/dbraw/zinc/37/07/30/296370730.db2.gz GGYDMRUZEWTNRG-JSGCOSHPSA-N 1 3 311.813 2.898 20 5 DFBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039954 296370732 /nfs/dbraw/zinc/37/07/32/296370732.db2.gz GGYDMRUZEWTNRG-JSGCOSHPSA-N 1 3 311.813 2.898 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH2+]C ZINC000423269926 296398975 /nfs/dbraw/zinc/39/89/75/296398975.db2.gz HJLLGTOEWADWRT-CHWSQXEVSA-N 1 3 311.451 2.911 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(C1)CC[NH2+]CC2 ZINC000261982921 146315870 /nfs/dbraw/zinc/31/58/70/146315870.db2.gz JLFHYKUVEQMCPS-HWKANZROSA-N 1 3 301.390 2.684 20 5 DFBDHO [NH3+]CCCN(CCOc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000352512394 286394061 /nfs/dbraw/zinc/39/40/61/286394061.db2.gz XJSWKZPWBPEUCM-UHFFFAOYSA-N 1 3 321.421 2.815 20 5 DFBDHO Cc1c(CN2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000357079624 158361220 /nfs/dbraw/zinc/36/12/20/158361220.db2.gz MKNXSPGNPIIGMZ-HNNXBMFYSA-N 1 3 303.406 2.725 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165993778 426126031 /nfs/dbraw/zinc/12/60/31/426126031.db2.gz JDSOZJUSNUJRHC-GJZGRUSLSA-N 1 3 323.437 2.911 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166035736 426126136 /nfs/dbraw/zinc/12/61/36/426126136.db2.gz GGUBKXVZILDGMV-CJNGLKHVSA-N 1 3 309.410 2.602 20 5 DFBDHO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444916 /nfs/dbraw/zinc/44/49/16/426444916.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 1 3 307.394 2.518 20 5 DFBDHO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444919 /nfs/dbraw/zinc/44/49/19/426444919.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 1 3 307.394 2.518 20 5 DFBDHO Cc1cc(NCCN2CC=CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000338714546 427449154 /nfs/dbraw/zinc/44/91/54/427449154.db2.gz ZBKCXXORKIIFMF-UHFFFAOYSA-N 1 3 312.373 2.547 20 5 DFBDHO Cc1cc(NCC[N@H+]2CC=CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000338714546 427449162 /nfs/dbraw/zinc/44/91/62/427449162.db2.gz ZBKCXXORKIIFMF-UHFFFAOYSA-N 1 3 312.373 2.547 20 5 DFBDHO Cc1cc(NCC[N@@H+]2CC=CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000338714546 427449170 /nfs/dbraw/zinc/44/91/70/427449170.db2.gz ZBKCXXORKIIFMF-UHFFFAOYSA-N 1 3 312.373 2.547 20 5 DFBDHO COc1ccc(-c2ccc(CNCCCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414900595 428448793 /nfs/dbraw/zinc/44/87/93/428448793.db2.gz HRMKPMDTGRNBRM-UHFFFAOYSA-N 1 3 319.361 2.692 20 5 DFBDHO C[C@@H](CCC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415023112 428490005 /nfs/dbraw/zinc/49/00/05/428490005.db2.gz MEXJXVNMMXDWPT-NSHDSACASA-N 1 3 320.418 2.935 20 5 DFBDHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389817 428518262 /nfs/dbraw/zinc/51/82/62/428518262.db2.gz XIDMWOKZLDBQKX-KFWWJZLASA-N 1 3 319.405 2.566 20 5 DFBDHO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000423367250 429074917 /nfs/dbraw/zinc/07/49/17/429074917.db2.gz DIGLFBJPCZFKGY-DAXOMENPSA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423367250 429074921 /nfs/dbraw/zinc/07/49/21/429074921.db2.gz DIGLFBJPCZFKGY-DAXOMENPSA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449092576 429329742 /nfs/dbraw/zinc/32/97/42/429329742.db2.gz UORJYOAJEJLZPV-KBMXLJTQSA-N 1 3 303.406 2.742 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449092576 429329747 /nfs/dbraw/zinc/32/97/47/429329747.db2.gz UORJYOAJEJLZPV-KBMXLJTQSA-N 1 3 303.406 2.742 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000449175056 429350772 /nfs/dbraw/zinc/35/07/72/429350772.db2.gz QEYHWMDVWFLVNR-KBMXLJTQSA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000449175056 429350777 /nfs/dbraw/zinc/35/07/77/429350777.db2.gz QEYHWMDVWFLVNR-KBMXLJTQSA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN(C)C ZINC000293672806 279351819 /nfs/dbraw/zinc/35/18/19/279351819.db2.gz MTAXZXFCHJZTIG-CZUORRHYSA-N 1 3 305.422 2.703 20 5 DFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000515388401 300304426 /nfs/dbraw/zinc/30/44/26/300304426.db2.gz ATIKAWJITVONAJ-LRDDRELGSA-N 1 3 301.390 2.656 20 5 DFBDHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384882 /nfs/dbraw/zinc/38/48/82/198384882.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 1 3 305.422 2.799 20 5 DFBDHO CC[N@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384884 /nfs/dbraw/zinc/38/48/84/198384884.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 1 3 305.422 2.799 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736552 398852795 /nfs/dbraw/zinc/85/27/95/398852795.db2.gz RNBYIZDHGLXAPG-MRXNPFEDSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1cccc(CN(CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420360945 296180005 /nfs/dbraw/zinc/18/00/05/296180005.db2.gz MQXOFBGHUSUTKZ-CQSZACIVSA-N 1 3 303.406 2.949 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000596100718 399172581 /nfs/dbraw/zinc/17/25/81/399172581.db2.gz AXRGOAFIWULDFP-DHCNJQPXSA-N 1 3 315.417 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000596100719 399173217 /nfs/dbraw/zinc/17/32/17/399173217.db2.gz AXRGOAFIWULDFP-DYDBFVOFSA-N 1 3 315.417 2.648 20 5 DFBDHO CN1CCC2(CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611266368 399453560 /nfs/dbraw/zinc/45/35/60/399453560.db2.gz IQINCGOSTDZMFB-UHFFFAOYSA-N 1 3 303.406 2.698 20 5 DFBDHO CN1CCC2(CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611266368 399453562 /nfs/dbraw/zinc/45/35/62/399453562.db2.gz IQINCGOSTDZMFB-UHFFFAOYSA-N 1 3 303.406 2.698 20 5 DFBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423017852 296368272 /nfs/dbraw/zinc/36/82/72/296368272.db2.gz XFVPIYKYQNCFJT-ZACQAIPSSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000423211974 296393231 /nfs/dbraw/zinc/39/32/31/296393231.db2.gz LIVDQFHMQHIKSS-XJKSGUPXSA-N 1 3 303.406 2.505 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423211974 296393232 /nfs/dbraw/zinc/39/32/32/296393232.db2.gz LIVDQFHMQHIKSS-XJKSGUPXSA-N 1 3 303.406 2.505 20 5 DFBDHO CN1CCC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986500 /nfs/dbraw/zinc/98/65/00/426986500.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986505 /nfs/dbraw/zinc/98/65/05/426986505.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 3 303.406 2.553 20 5 DFBDHO CCOc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319904 272311565 /nfs/dbraw/zinc/31/15/65/272311565.db2.gz HVKFTTYDIOEROP-CYBMUJFWSA-N 1 3 319.405 2.906 20 5 DFBDHO CCOc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319904 272311568 /nfs/dbraw/zinc/31/15/68/272311568.db2.gz HVKFTTYDIOEROP-CYBMUJFWSA-N 1 3 319.405 2.906 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088532 428383693 /nfs/dbraw/zinc/38/36/93/428383693.db2.gz XPJVNWZYJXNPAT-UKRRQHHQSA-N 1 3 303.406 2.977 20 5 DFBDHO CSC1(CNCc2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353215045 428433856 /nfs/dbraw/zinc/43/38/56/428433856.db2.gz VWBQQENZCCWHOC-UHFFFAOYSA-N 1 3 323.462 2.820 20 5 DFBDHO CSC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000353215045 428433859 /nfs/dbraw/zinc/43/38/59/428433859.db2.gz VWBQQENZCCWHOC-UHFFFAOYSA-N 1 3 323.462 2.820 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCC1(C)C ZINC000449784627 429510845 /nfs/dbraw/zinc/51/08/45/429510845.db2.gz XRSDSTNSCFPMDZ-AWEZNQCLSA-N 1 3 305.422 2.990 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCC1(C)C ZINC000449784627 429510849 /nfs/dbraw/zinc/51/08/49/429510849.db2.gz XRSDSTNSCFPMDZ-AWEZNQCLSA-N 1 3 305.422 2.990 20 5 DFBDHO C[C@@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000575244239 318071915 /nfs/dbraw/zinc/07/19/15/318071915.db2.gz QDQSIFDRHFTOAS-GFCCVEGCSA-N 1 3 307.369 2.698 20 5 DFBDHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759111 398408771 /nfs/dbraw/zinc/40/87/71/398408771.db2.gz DFYGCCKOQNNPCS-DYVFJYSZSA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433761 398425124 /nfs/dbraw/zinc/42/51/24/398425124.db2.gz SUHXSQXWYQXFOC-JKSUJKDBSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@H]2CC[NH2+]C2)o1 ZINC000414824088 295822249 /nfs/dbraw/zinc/82/22/49/295822249.db2.gz ABDGAYRXKFGDCF-CYBMUJFWSA-N 1 3 315.373 2.944 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414930935 295836543 /nfs/dbraw/zinc/83/65/43/295836543.db2.gz BPTPPMXUADEQBN-JHNDHUHGSA-N 1 3 317.433 2.894 20 5 DFBDHO CC(C)c1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281576 398745661 /nfs/dbraw/zinc/74/56/61/398745661.db2.gz BEGCTAHHRNJSMZ-INIZCTEOSA-N 1 3 303.406 2.950 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735703 398852241 /nfs/dbraw/zinc/85/22/41/398852241.db2.gz NFFWJAHMMDHYNY-INIZCTEOSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595001624 398889557 /nfs/dbraw/zinc/88/95/57/398889557.db2.gz YSGDPXNYWKKIAR-UHFFFAOYSA-N 1 3 303.406 2.806 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000595011976 398891984 /nfs/dbraw/zinc/89/19/84/398891984.db2.gz MIBSBBWGBRZXIP-CYBMUJFWSA-N 1 3 321.421 2.986 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCC[NH3+])CC1 ZINC000420291366 296170265 /nfs/dbraw/zinc/17/02/65/296170265.db2.gz NMJAUFCUOBCHTQ-AWEZNQCLSA-N 1 3 321.421 2.794 20 5 DFBDHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039953 296370614 /nfs/dbraw/zinc/37/06/14/296370614.db2.gz GGYDMRUZEWTNRG-GXTWGEPZSA-N 1 3 311.813 2.898 20 5 DFBDHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039953 296370616 /nfs/dbraw/zinc/37/06/16/296370616.db2.gz GGYDMRUZEWTNRG-GXTWGEPZSA-N 1 3 311.813 2.898 20 5 DFBDHO Cc1c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cccc1[N+](=O)[O-] ZINC000423077012 296375713 /nfs/dbraw/zinc/37/57/13/296375713.db2.gz LBEJMFMOMQXFOR-PBHICJAKSA-N 1 3 313.401 2.951 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000423348462 296407356 /nfs/dbraw/zinc/40/73/56/296407356.db2.gz TWNZSZPWZSWWEK-STQMWFEESA-N 1 3 309.435 2.665 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357057816 158357811 /nfs/dbraw/zinc/35/78/11/158357811.db2.gz VAGUZGHZFNJDLS-HNNXBMFYSA-N 1 3 303.406 2.725 20 5 DFBDHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445577 271294007 /nfs/dbraw/zinc/29/40/07/271294007.db2.gz KGJOTWSXOLQRDB-MRXNPFEDSA-N 1 3 303.406 2.759 20 5 DFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCN(C)CC1 ZINC000344755484 272365341 /nfs/dbraw/zinc/36/53/41/272365341.db2.gz CSINIQGIRULILH-UVTDQMKNSA-N 1 3 301.390 2.850 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414986463 428481233 /nfs/dbraw/zinc/48/12/33/428481233.db2.gz CKMDOXUGTYPXQX-TZMCWYRMSA-N 1 3 307.394 2.601 20 5 DFBDHO Cc1c([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423444152 429089473 /nfs/dbraw/zinc/08/94/73/429089473.db2.gz QXPCLIYLFZXHSH-UHOFOFEASA-N 1 3 303.406 2.942 20 5 DFBDHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352728 429071928 /nfs/dbraw/zinc/07/19/28/429071928.db2.gz AKCZCIQGTRNSBJ-WTTBNOFXSA-N 1 3 317.433 2.894 20 5 DFBDHO C[C@@H]1CN([C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)C[NH3+] ZINC000423503457 429100480 /nfs/dbraw/zinc/10/04/80/429100480.db2.gz DVHNBMJGWSNMGQ-JEBQAFNWSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@@H]1C[N@@H+]([C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)CN ZINC000423503457 429100486 /nfs/dbraw/zinc/10/04/86/429100486.db2.gz DVHNBMJGWSNMGQ-JEBQAFNWSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@@H]1C[N@H+]([C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)CN ZINC000423503457 429100491 /nfs/dbraw/zinc/10/04/91/429100491.db2.gz DVHNBMJGWSNMGQ-JEBQAFNWSA-N 1 3 317.433 2.833 20 5 DFBDHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000449090113 429329283 /nfs/dbraw/zinc/32/92/83/429329283.db2.gz MUGBFEHOISVSPO-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO C[C@@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000449090113 429329289 /nfs/dbraw/zinc/32/92/89/429329289.db2.gz MUGBFEHOISVSPO-GJZGRUSLSA-N 1 3 305.422 2.847 20 5 DFBDHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506895 297305755 /nfs/dbraw/zinc/30/57/55/297305755.db2.gz FQEINOVSNOBIIF-HUUCEWRRSA-N 1 3 323.441 2.597 20 5 DFBDHO CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506895 297305756 /nfs/dbraw/zinc/30/57/56/297305756.db2.gz FQEINOVSNOBIIF-HUUCEWRRSA-N 1 3 323.441 2.597 20 5 DFBDHO CC[NH+](CC)CCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574172925 302745230 /nfs/dbraw/zinc/74/52/30/302745230.db2.gz ZBJMFZYIEUSOQO-MRXNPFEDSA-N 1 3 321.421 2.530 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000594736025 398852824 /nfs/dbraw/zinc/85/28/24/398852824.db2.gz NPHXXAFNFKGUBG-AWEZNQCLSA-N 1 3 321.396 2.946 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000595034001 398895276 /nfs/dbraw/zinc/89/52/76/398895276.db2.gz ODDPJPDTWGHUFN-CYBMUJFWSA-N 1 3 321.421 2.986 20 5 DFBDHO O=[N+]([O-])c1ccc(CN(CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420356750 296179085 /nfs/dbraw/zinc/17/90/85/296179085.db2.gz GXOIUIUCUCNRMI-AWEZNQCLSA-N 1 3 303.406 2.949 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395634 296185538 /nfs/dbraw/zinc/18/55/38/296185538.db2.gz LMFFHXIKJIJPQY-DOTOQJQBSA-N 1 3 303.406 2.601 20 5 DFBDHO CN1CCC([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140138 399438158 /nfs/dbraw/zinc/43/81/58/399438158.db2.gz NIUSZXNNRGOWBP-QGZVFWFLSA-N 1 3 317.433 2.801 20 5 DFBDHO CN1CCC([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140138 399438160 /nfs/dbraw/zinc/43/81/60/399438160.db2.gz NIUSZXNNRGOWBP-QGZVFWFLSA-N 1 3 317.433 2.801 20 5 DFBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422795524 296334470 /nfs/dbraw/zinc/33/44/70/296334470.db2.gz VWNYZEISKRELOW-BZUAXINKSA-N 1 3 303.406 2.648 20 5 DFBDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039222 296370511 /nfs/dbraw/zinc/37/05/11/296370511.db2.gz FBLPRWWAAAXMPJ-RISCZKNCSA-N 1 3 311.813 2.768 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423360827 296408641 /nfs/dbraw/zinc/40/86/41/296408641.db2.gz LPSBKBMTCHAVIR-HZPDHXFCSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000262062443 146328948 /nfs/dbraw/zinc/32/89/48/146328948.db2.gz FDCUBYCOQXUXAZ-BRWVUGGUSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000357042503 158354698 /nfs/dbraw/zinc/35/46/98/158354698.db2.gz DYNKOPKTNBWTMM-MRXNPFEDSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357058677 158357727 /nfs/dbraw/zinc/35/77/27/158357727.db2.gz VYLJFALVXICBJH-NJELEJDNSA-N 1 3 315.417 2.930 20 5 DFBDHO Cc1c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000357079627 158361482 /nfs/dbraw/zinc/36/14/82/158361482.db2.gz MKNXSPGNPIIGMZ-OAHLLOKOSA-N 1 3 303.406 2.725 20 5 DFBDHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000131438124 196168349 /nfs/dbraw/zinc/16/83/49/196168349.db2.gz MJZIYCFHCQCEHD-GASCZTMLSA-N 1 3 321.421 2.574 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000165924647 426124059 /nfs/dbraw/zinc/12/40/59/426124059.db2.gz XNNCQQYRTAEJLG-CZUORRHYSA-N 1 3 309.410 2.602 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000165924288 426124218 /nfs/dbraw/zinc/12/42/18/426124218.db2.gz XNNCQQYRTAEJLG-BBRMVZONSA-N 1 3 309.410 2.602 20 5 DFBDHO CN1CCCC[C@H]1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338354730 427272463 /nfs/dbraw/zinc/27/24/63/427272463.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 1 3 305.422 2.944 20 5 DFBDHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338354730 427272470 /nfs/dbraw/zinc/27/24/70/427272470.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 1 3 305.422 2.944 20 5 DFBDHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785412 428407854 /nfs/dbraw/zinc/40/78/54/428407854.db2.gz SPFPCTUYYSCQCM-HZPDHXFCSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785558 428408062 /nfs/dbraw/zinc/40/80/62/428408062.db2.gz SVEFMANMPCTBDL-LUACWQNHSA-N 1 3 315.417 2.930 20 5 DFBDHO CSC1(CNCc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353213447 428434262 /nfs/dbraw/zinc/43/42/62/428434262.db2.gz SXEVPOPXCXBNHH-UHFFFAOYSA-N 1 3 309.435 2.512 20 5 DFBDHO CSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000353213447 428434267 /nfs/dbraw/zinc/43/42/67/428434267.db2.gz SXEVPOPXCXBNHH-UHFFFAOYSA-N 1 3 309.435 2.512 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414826050 428424193 /nfs/dbraw/zinc/42/41/93/428424193.db2.gz IAYHQIGSSXOIFP-ZOBUZTSGSA-N 1 3 317.433 2.895 20 5 DFBDHO Cc1c(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689048 428660063 /nfs/dbraw/zinc/66/00/63/428660063.db2.gz PQJVKDPVNJGWDS-UXLLHSPISA-N 1 3 303.406 2.866 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393931 429079528 /nfs/dbraw/zinc/07/95/28/429079528.db2.gz MMINQQUFLURAJF-KCXAZCMYSA-N 1 3 303.406 2.504 20 5 DFBDHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423393931 429079534 /nfs/dbraw/zinc/07/95/34/429079534.db2.gz MMINQQUFLURAJF-KCXAZCMYSA-N 1 3 303.406 2.504 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423518245 429105226 /nfs/dbraw/zinc/10/52/26/429105226.db2.gz CCYHBSOXPWSLLV-MRXNPFEDSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NCCC[NH2+]C1CC1)C1CC1 ZINC000423518245 429105233 /nfs/dbraw/zinc/10/52/33/429105233.db2.gz CCYHBSOXPWSLLV-MRXNPFEDSA-N 1 3 303.406 2.648 20 5 DFBDHO CCC[NH+]1CCC(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449219482 429362100 /nfs/dbraw/zinc/36/21/00/429362100.db2.gz NGXFCAYPCDWCRI-AWEZNQCLSA-N 1 3 305.422 2.990 20 5 DFBDHO CCNCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822732 302161297 /nfs/dbraw/zinc/16/12/97/302161297.db2.gz QZTJVFUKLJHEFL-HOCLYGCPSA-N 1 3 305.422 2.895 20 5 DFBDHO CC[NH2+]CCCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000564822732 302161299 /nfs/dbraw/zinc/16/12/99/302161299.db2.gz QZTJVFUKLJHEFL-HOCLYGCPSA-N 1 3 305.422 2.895 20 5 DFBDHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596361529 398394712 /nfs/dbraw/zinc/39/47/12/398394712.db2.gz UYEGUYJEESDZCQ-AWEZNQCLSA-N 1 3 308.426 2.587 20 5 DFBDHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596361529 398394715 /nfs/dbraw/zinc/39/47/15/398394715.db2.gz UYEGUYJEESDZCQ-AWEZNQCLSA-N 1 3 308.426 2.587 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433756 398425586 /nfs/dbraw/zinc/42/55/86/398425586.db2.gz SUHXSQXWYQXFOC-CVEARBPZSA-N 1 3 303.406 2.806 20 5 DFBDHO C[C@@H]1C[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272634426 210038711 /nfs/dbraw/zinc/03/87/11/210038711.db2.gz NPDNTECENRAJKW-RISCZKNCSA-N 1 3 311.813 2.863 20 5 DFBDHO C[C@@H]1C[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634426 210038714 /nfs/dbraw/zinc/03/87/14/210038714.db2.gz NPDNTECENRAJKW-RISCZKNCSA-N 1 3 311.813 2.863 20 5 DFBDHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414848507 295825764 /nfs/dbraw/zinc/82/57/64/295825764.db2.gz XBRALMXDUDNPHF-SQWLQELKSA-N 1 3 305.422 2.751 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000591578294 398773673 /nfs/dbraw/zinc/77/36/73/398773673.db2.gz NAMYMWHPVBWIET-HOTGVXAUSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000591578294 398773678 /nfs/dbraw/zinc/77/36/78/398773678.db2.gz NAMYMWHPVBWIET-HOTGVXAUSA-N 1 3 303.406 2.648 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000595034002 398895339 /nfs/dbraw/zinc/89/53/39/398895339.db2.gz ODDPJPDTWGHUFN-ZDUSSCGKSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904668 399129373 /nfs/dbraw/zinc/12/93/73/399129373.db2.gz KIKFOCOOLXEKOO-CZUORRHYSA-N 1 3 321.421 2.943 20 5 DFBDHO Cc1c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327979 296176045 /nfs/dbraw/zinc/17/60/45/296176045.db2.gz LZOMHTORAPAJTE-HOCLYGCPSA-N 1 3 303.406 2.725 20 5 DFBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344103 296178186 /nfs/dbraw/zinc/17/81/86/296178186.db2.gz SBTPPPUGXCLPCP-FVQBIDKESA-N 1 3 303.406 2.977 20 5 DFBDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422740153 296324387 /nfs/dbraw/zinc/32/43/87/296324387.db2.gz MNFJUIZKTQGOCV-KDOFPFPSSA-N 1 3 313.401 2.685 20 5 DFBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423017851 296368055 /nfs/dbraw/zinc/36/80/55/296368055.db2.gz XFVPIYKYQNCFJT-GVDBMIGSSA-N 1 3 303.406 2.648 20 5 DFBDHO Cc1c(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cccc1[N+](=O)[O-] ZINC000423077015 296375595 /nfs/dbraw/zinc/37/55/95/296375595.db2.gz LBEJMFMOMQXFOR-YOEHRIQHSA-N 1 3 313.401 2.951 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423220740 296394052 /nfs/dbraw/zinc/39/40/52/296394052.db2.gz YMCMNNOAICOZFO-WFVVYAPDSA-N 1 3 315.417 2.789 20 5 DFBDHO Cc1c(CN2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602877775 399612538 /nfs/dbraw/zinc/61/25/38/399612538.db2.gz QIOBCBNSAVEPBB-UHFFFAOYSA-N 1 3 303.406 2.821 20 5 DFBDHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000163222885 426093202 /nfs/dbraw/zinc/09/32/02/426093202.db2.gz VSSUVKVQQDCEPC-PBHICJAKSA-N 1 3 317.433 2.847 20 5 DFBDHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863624 427090172 /nfs/dbraw/zinc/09/01/72/427090172.db2.gz BPJMVUWRPHLQNM-ZDUSSCGKSA-N 1 3 306.410 2.704 20 5 DFBDHO C[NH2+]CCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000346679968 428270041 /nfs/dbraw/zinc/27/00/41/428270041.db2.gz MNEKBXHQIWJDMI-XQRVVYSFSA-N 1 3 303.406 2.930 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000414777166 428404588 /nfs/dbraw/zinc/40/45/88/428404588.db2.gz GPUHNZWLDDHEMR-BBRMVZONSA-N 1 3 303.406 2.648 20 5 DFBDHO C[C@@H]1C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682023 428372449 /nfs/dbraw/zinc/37/24/49/428372449.db2.gz XKCFXQMOXWDWIX-KGLIPLIRSA-N 1 3 303.406 2.947 20 5 DFBDHO CC[NH2+]CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347216383 428495495 /nfs/dbraw/zinc/49/54/95/428495495.db2.gz RMDAYSVBTLPWDC-FNORWQNLSA-N 1 3 303.406 2.930 20 5 DFBDHO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCNC1 ZINC000423324866 429065488 /nfs/dbraw/zinc/06/54/88/429065488.db2.gz BJSOFEISJRNTPL-SJLPKXTDSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@@]1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000423324866 429065492 /nfs/dbraw/zinc/06/54/92/429065492.db2.gz BJSOFEISJRNTPL-SJLPKXTDSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCNC1 ZINC000423324862 429065766 /nfs/dbraw/zinc/06/57/66/429065766.db2.gz BJSOFEISJRNTPL-AEFFLSMTSA-N 1 3 317.433 2.895 20 5 DFBDHO C[C@]1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]C1 ZINC000423324862 429065772 /nfs/dbraw/zinc/06/57/72/429065772.db2.gz BJSOFEISJRNTPL-AEFFLSMTSA-N 1 3 317.433 2.895 20 5 DFBDHO COc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424296824 429121468 /nfs/dbraw/zinc/12/14/68/429121468.db2.gz SIMIBVSDYLFVMS-ZDUSSCGKSA-N 1 3 319.405 2.567 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC[NH2+]C2)CC1 ZINC000430961917 429729269 /nfs/dbraw/zinc/72/92/69/429729269.db2.gz FUSAFUZHFROKBH-HWKANZROSA-N 1 3 301.390 2.684 20 5 DFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000530326485 430110525 /nfs/dbraw/zinc/11/05/25/430110525.db2.gz VSVLHDYVJZVELE-SCZPIIQISA-N 1 3 303.406 2.930 20 5 DFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000530326485 430110529 /nfs/dbraw/zinc/11/05/29/430110529.db2.gz VSVLHDYVJZVELE-SCZPIIQISA-N 1 3 303.406 2.930 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001776 318098201 /nfs/dbraw/zinc/09/82/01/318098201.db2.gz IHBGEMVNADUBGB-BBRMVZONSA-N 1 3 321.421 2.529 20 5 DFBDHO CN(C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596424771 398408814 /nfs/dbraw/zinc/40/88/14/398408814.db2.gz LGQPAAQLTXADHV-UHFFFAOYSA-N 1 3 314.817 2.544 20 5 DFBDHO CN(C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596424771 398408818 /nfs/dbraw/zinc/40/88/18/398408818.db2.gz LGQPAAQLTXADHV-UHFFFAOYSA-N 1 3 314.817 2.544 20 5 DFBDHO [NH3+]C1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000596648177 398471328 /nfs/dbraw/zinc/47/13/28/398471328.db2.gz KPDSJEBWVBHKJH-OAHLLOKOSA-N 1 3 303.406 2.777 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594734816 398851668 /nfs/dbraw/zinc/85/16/68/398851668.db2.gz FQTSXKBBUCTARW-INIZCTEOSA-N 1 3 303.406 2.806 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000595051261 398898387 /nfs/dbraw/zinc/89/83/87/398898387.db2.gz MRGKXBXCUVKCPO-KGLIPLIRSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000595051261 398898389 /nfs/dbraw/zinc/89/83/89/398898389.db2.gz MRGKXBXCUVKCPO-KGLIPLIRSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000595051262 398898034 /nfs/dbraw/zinc/89/80/34/398898034.db2.gz MRGKXBXCUVKCPO-UONOGXRCSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000595051262 398898036 /nfs/dbraw/zinc/89/80/36/398898036.db2.gz MRGKXBXCUVKCPO-UONOGXRCSA-N 1 3 321.421 2.986 20 5 DFBDHO COc1ccc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595905941 399130936 /nfs/dbraw/zinc/13/09/36/399130936.db2.gz YRJMAUDQAZTPQH-UKRRQHHQSA-N 1 3 321.421 2.943 20 5 DFBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422735195 296323847 /nfs/dbraw/zinc/32/38/47/296323847.db2.gz DOLFFSOSZUFCPU-LBPRGKRZSA-N 1 3 314.389 2.650 20 5 DFBDHO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000423043960 296371374 /nfs/dbraw/zinc/37/13/74/296371374.db2.gz QFKBXRKRYDNOBZ-SMDDNHRTSA-N 1 3 311.813 2.911 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCNCC1 ZINC000423189713 296390578 /nfs/dbraw/zinc/39/05/78/296390578.db2.gz RCFBAHMHJUXADR-GFCCVEGCSA-N 1 3 309.435 2.807 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357058678 158358317 /nfs/dbraw/zinc/35/83/17/158358317.db2.gz VYLJFALVXICBJH-RCFWFJCLSA-N 1 3 315.417 2.930 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165993396 426126375 /nfs/dbraw/zinc/12/63/75/426126375.db2.gz FGHNCCAGDQXXDF-GOEBONIOSA-N 1 3 323.437 2.911 20 5 DFBDHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861883 272378458 /nfs/dbraw/zinc/37/84/58/272378458.db2.gz KGDJHJRVBUFCJC-IDJPSDCMSA-N 1 3 303.406 2.930 20 5 DFBDHO CC[N@H+]1CC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861883 272378461 /nfs/dbraw/zinc/37/84/61/272378461.db2.gz KGDJHJRVBUFCJC-IDJPSDCMSA-N 1 3 303.406 2.930 20 5 DFBDHO CCN1CC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861883 272378464 /nfs/dbraw/zinc/37/84/64/272378464.db2.gz KGDJHJRVBUFCJC-IDJPSDCMSA-N 1 3 303.406 2.930 20 5 DFBDHO [NH3+]CCCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000303990311 427910377 /nfs/dbraw/zinc/91/03/77/427910377.db2.gz TZBFVQISRCNZBO-UHFFFAOYSA-N 1 3 313.401 2.988 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899137 428450061 /nfs/dbraw/zinc/45/00/61/428450061.db2.gz CGLRKDAKWIEGCE-PBHICJAKSA-N 1 3 305.422 2.895 20 5 DFBDHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088991 429329067 /nfs/dbraw/zinc/32/90/67/429329067.db2.gz CNPOKXSJVLFWFE-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088991 429329069 /nfs/dbraw/zinc/32/90/69/429329069.db2.gz CNPOKXSJVLFWFE-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088991 429329074 /nfs/dbraw/zinc/32/90/74/429329074.db2.gz CNPOKXSJVLFWFE-CABCVRRESA-N 1 3 305.422 2.847 20 5 DFBDHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566260 /nfs/dbraw/zinc/56/62/60/430566260.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO C[N@H+]1CC[C@H]2[C@@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566262 /nfs/dbraw/zinc/56/62/62/430566262.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566265 /nfs/dbraw/zinc/56/62/65/430566265.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566270 /nfs/dbraw/zinc/56/62/70/430566270.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 1 3 303.406 2.553 20 5 DFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000515388403 300304308 /nfs/dbraw/zinc/30/43/08/300304308.db2.gz ATIKAWJITVONAJ-WBMJQRKESA-N 1 3 301.390 2.656 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559599 317044743 /nfs/dbraw/zinc/04/47/43/317044743.db2.gz CBHYNDUJAXACPJ-OHRKKDJYSA-N 1 3 303.406 2.741 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559599 317044744 /nfs/dbraw/zinc/04/47/44/317044744.db2.gz CBHYNDUJAXACPJ-OHRKKDJYSA-N 1 3 303.406 2.741 20 5 DFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576001777 318097943 /nfs/dbraw/zinc/09/79/43/318097943.db2.gz IHBGEMVNADUBGB-CJNGLKHVSA-N 1 3 321.421 2.529 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433822 398425708 /nfs/dbraw/zinc/42/57/08/398425708.db2.gz YIYVRVAIPGGXQP-CABCVRRESA-N 1 3 303.406 2.806 20 5 DFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414856550 295826749 /nfs/dbraw/zinc/82/67/49/295826749.db2.gz OIBGWHHIZXOMBJ-IJEWVQPXSA-N 1 3 305.422 2.894 20 5 DFBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591580958 398773544 /nfs/dbraw/zinc/77/35/44/398773544.db2.gz HUIFKHRMKRBOJI-JKSUJKDBSA-N 1 3 301.390 2.704 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594734817 398851705 /nfs/dbraw/zinc/85/17/05/398851705.db2.gz FQTSXKBBUCTARW-MRXNPFEDSA-N 1 3 303.406 2.806 20 5 DFBDHO CN1CC=C(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271834775 209254709 /nfs/dbraw/zinc/25/47/09/209254709.db2.gz FNOBOIKEFWUCLG-KRWDZBQOSA-N 1 3 315.417 2.767 20 5 DFBDHO CN1CCC([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140137 399438048 /nfs/dbraw/zinc/43/80/48/399438048.db2.gz NIUSZXNNRGOWBP-KRWDZBQOSA-N 1 3 317.433 2.801 20 5 DFBDHO CN1CCC([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140137 399438050 /nfs/dbraw/zinc/43/80/50/399438050.db2.gz NIUSZXNNRGOWBP-KRWDZBQOSA-N 1 3 317.433 2.801 20 5 DFBDHO CN(C)Cc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602594439 399486538 /nfs/dbraw/zinc/48/65/38/399486538.db2.gz WMTNUAVPBLPBKC-UHFFFAOYSA-N 1 3 313.401 2.989 20 5 DFBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783318 296332250 /nfs/dbraw/zinc/33/22/50/296332250.db2.gz HFNNEDSLLVDCNN-LBPRGKRZSA-N 1 3 314.389 2.650 20 5 DFBDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000422784146 296332351 /nfs/dbraw/zinc/33/23/51/296332351.db2.gz IFBJEWVNOFRRGZ-YOEHRIQHSA-N 1 3 313.401 2.685 20 5 DFBDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423012205 296367543 /nfs/dbraw/zinc/36/75/43/296367543.db2.gz KHUVNIAVDZKEQA-KBXCAEBGSA-N 1 3 313.401 2.685 20 5 DFBDHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039955 296370500 /nfs/dbraw/zinc/37/05/00/296370500.db2.gz GGYDMRUZEWTNRG-OCCSQVGLSA-N 1 3 311.813 2.898 20 5 DFBDHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039955 296370501 /nfs/dbraw/zinc/37/05/01/296370501.db2.gz GGYDMRUZEWTNRG-OCCSQVGLSA-N 1 3 311.813 2.898 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CC1 ZINC000423274432 296399551 /nfs/dbraw/zinc/39/95/51/296399551.db2.gz KLXKYQXMKLSDHK-OLZOCXBDSA-N 1 3 309.435 2.792 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423360807 296408181 /nfs/dbraw/zinc/40/81/81/296408181.db2.gz LPSBKBMTCHAVIR-CVEARBPZSA-N 1 3 303.406 2.648 20 5 DFBDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692105 427589567 /nfs/dbraw/zinc/58/95/67/427589567.db2.gz DFYGCCKOQNNPCS-SUMWQHHRSA-N 1 3 303.406 2.904 20 5 DFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088531 428381698 /nfs/dbraw/zinc/38/16/98/428381698.db2.gz XPJVNWZYJXNPAT-HIFRSBDPSA-N 1 3 303.406 2.977 20 5 DFBDHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414848502 428431846 /nfs/dbraw/zinc/43/18/46/428431846.db2.gz XBRALMXDUDNPHF-LZWOXQAQSA-N 1 3 305.422 2.751 20 5 DFBDHO N[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399735 429082319 /nfs/dbraw/zinc/08/23/19/429082319.db2.gz UWUYVPGARNTEOM-OWCLPIDISA-N 1 3 303.406 2.775 20 5 DFBDHO [NH3+][C@@H]1CCC[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423399735 429082322 /nfs/dbraw/zinc/08/23/22/429082322.db2.gz UWUYVPGARNTEOM-OWCLPIDISA-N 1 3 303.406 2.775 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000449175054 429351241 /nfs/dbraw/zinc/35/12/41/429351241.db2.gz QEYHWMDVWFLVNR-FVQBIDKESA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000449175054 429351245 /nfs/dbraw/zinc/35/12/45/429351245.db2.gz QEYHWMDVWFLVNR-FVQBIDKESA-N 1 3 305.422 2.988 20 5 DFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000449066516 297399943 /nfs/dbraw/zinc/39/99/43/297399943.db2.gz CJSVFNQHHNJGBR-OAHLLOKOSA-N 1 3 305.422 2.991 20 5 DFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165993283 315889443 /nfs/dbraw/zinc/88/94/43/315889443.db2.gz FGHNCCAGDQXXDF-HOCLYGCPSA-N 1 3 323.437 2.911 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433762 398425602 /nfs/dbraw/zinc/42/56/02/398425602.db2.gz TZZWBRDMZRVUKB-CVEARBPZSA-N 1 3 303.406 2.806 20 5 DFBDHO C[NH+]1CCC([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270453832 186393938 /nfs/dbraw/zinc/39/39/38/186393938.db2.gz LHKBCCGUELYLNV-HNNXBMFYSA-N 1 3 303.406 2.759 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459726717 299174204 /nfs/dbraw/zinc/17/42/04/299174204.db2.gz GQWXFVTXZQSHBC-CQSZACIVSA-N 1 3 321.421 2.815 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459726717 299174205 /nfs/dbraw/zinc/17/42/05/299174205.db2.gz GQWXFVTXZQSHBC-CQSZACIVSA-N 1 3 321.421 2.815 20 5 DFBDHO CC(C)c1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281577 398745257 /nfs/dbraw/zinc/74/52/57/398745257.db2.gz BEGCTAHHRNJSMZ-MRXNPFEDSA-N 1 3 303.406 2.950 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000594736026 398852487 /nfs/dbraw/zinc/85/24/87/398852487.db2.gz NPHXXAFNFKGUBG-CQSZACIVSA-N 1 3 321.396 2.946 20 5 DFBDHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000595061673 398900667 /nfs/dbraw/zinc/90/06/67/398900667.db2.gz LVRBWXKMZNCDLZ-LSDHHAIUSA-N 1 3 322.453 2.517 20 5 DFBDHO O=[N+]([O-])c1ccc(CCNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000602715042 399535258 /nfs/dbraw/zinc/53/52/58/399535258.db2.gz LXJKTJWGVQXKIS-KRWDZBQOSA-N 1 3 317.433 2.849 20 5 DFBDHO O=[N+]([O-])c1ccc(CCNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000602715042 399535263 /nfs/dbraw/zinc/53/52/63/399535263.db2.gz LXJKTJWGVQXKIS-KRWDZBQOSA-N 1 3 317.433 2.849 20 5 DFBDHO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000602715042 399535267 /nfs/dbraw/zinc/53/52/67/399535267.db2.gz LXJKTJWGVQXKIS-KRWDZBQOSA-N 1 3 317.433 2.849 20 5 DFBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423015471 296368223 /nfs/dbraw/zinc/36/82/23/296368223.db2.gz RBXJDHIZBHUMBL-LBPRGKRZSA-N 1 3 314.389 2.650 20 5 DFBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000262062448 146328875 /nfs/dbraw/zinc/32/88/75/146328875.db2.gz FDCUBYCOQXUXAZ-GVDBMIGSSA-N 1 3 303.406 2.648 20 5 DFBDHO C[NH+](C)CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350145003 286010571 /nfs/dbraw/zinc/01/05/71/286010571.db2.gz GPUBEWGRTSVKSA-ALCCZGGFSA-N 1 3 303.406 2.882 20 5 DFBDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270535555 271304247 /nfs/dbraw/zinc/30/42/47/271304247.db2.gz WIURDVNADMFNAV-MRXNPFEDSA-N 1 3 303.406 2.759 20 5 DFBDHO C[NH+]1CCC2(CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369720338 428044217 /nfs/dbraw/zinc/04/42/17/428044217.db2.gz HFOZMQSIOHQDOL-UHFFFAOYSA-N 1 3 303.406 2.903 20 5 DFBDHO CSC1(CNCc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000353214377 428434191 /nfs/dbraw/zinc/43/41/91/428434191.db2.gz UWHYIUQNAYIHCV-UHFFFAOYSA-N 1 3 309.435 2.512 20 5 DFBDHO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000353214377 428434197 /nfs/dbraw/zinc/43/41/97/428434197.db2.gz UWHYIUQNAYIHCV-UHFFFAOYSA-N 1 3 309.435 2.512 20 5 DFBDHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389819 428518155 /nfs/dbraw/zinc/51/81/55/428518155.db2.gz XIDMWOKZLDBQKX-RRFJBIMHSA-N 1 3 319.405 2.566 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000423348460 429069081 /nfs/dbraw/zinc/06/90/81/429069081.db2.gz TWNZSZPWZSWWEK-OLZOCXBDSA-N 1 3 309.435 2.665 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423518243 429106532 /nfs/dbraw/zinc/10/65/32/429106532.db2.gz CCYHBSOXPWSLLV-INIZCTEOSA-N 1 3 303.406 2.648 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NCCC[NH2+]C1CC1)C1CC1 ZINC000423518243 429106537 /nfs/dbraw/zinc/10/65/37/429106537.db2.gz CCYHBSOXPWSLLV-INIZCTEOSA-N 1 3 303.406 2.648 20 5 DFBDHO C[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000367609798 429684631 /nfs/dbraw/zinc/68/46/31/429684631.db2.gz XTPOTUXYQBUNLA-HLLBOEOZSA-N 1 3 303.406 2.600 20 5 DFBDHO C[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000367609798 429684633 /nfs/dbraw/zinc/68/46/33/429684633.db2.gz XTPOTUXYQBUNLA-HLLBOEOZSA-N 1 3 303.406 2.600 20 5 DFBDHO C[NH+]1CCC2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375999076 277036673 /nfs/dbraw/zinc/03/66/73/277036673.db2.gz IYFJWNKDJFZTEV-UHFFFAOYSA-N 1 3 303.406 2.903 20 5 DFBDHO CC(C)[NH2+]CCCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000567639403 302375382 /nfs/dbraw/zinc/37/53/82/302375382.db2.gz MUPAQXMTCUNVDT-MRXNPFEDSA-N 1 3 305.422 2.894 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433763 398425528 /nfs/dbraw/zinc/42/55/28/398425528.db2.gz TZZWBRDMZRVUKB-HOTGVXAUSA-N 1 3 303.406 2.806 20 5 DFBDHO CC(C)[C@H]([NH3+])CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596655365 398472780 /nfs/dbraw/zinc/47/27/80/398472780.db2.gz VXKPIELCZJNXJU-CVEARBPZSA-N 1 3 305.422 2.879 20 5 DFBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591580941 398773660 /nfs/dbraw/zinc/77/36/60/398773660.db2.gz HUIFKHRMKRBOJI-HOTGVXAUSA-N 1 3 301.390 2.704 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000423211969 296393193 /nfs/dbraw/zinc/39/31/93/296393193.db2.gz LIVDQFHMQHIKSS-CJNGLKHVSA-N 1 3 303.406 2.505 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423211969 296393194 /nfs/dbraw/zinc/39/31/94/296393194.db2.gz LIVDQFHMQHIKSS-CJNGLKHVSA-N 1 3 303.406 2.505 20 5 DFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423385954 296411397 /nfs/dbraw/zinc/41/13/97/296411397.db2.gz LNDRCIPVNILQHP-ZDUSSCGKSA-N 1 3 311.385 2.919 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430955192 296814888 /nfs/dbraw/zinc/81/48/88/296814888.db2.gz YRHGWFNKTHKLRZ-UHFFFAOYSA-N 1 3 319.405 2.569 20 5 DFBDHO C[NH+]1CCC([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445576 271293575 /nfs/dbraw/zinc/29/35/75/271293575.db2.gz KGJOTWSXOLQRDB-INIZCTEOSA-N 1 3 303.406 2.759 20 5 DFBDHO CC[N@@H+]1CC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861888 272378591 /nfs/dbraw/zinc/37/85/91/272378591.db2.gz KGDJHJRVBUFCJC-SCZPIIQISA-N 1 3 303.406 2.930 20 5 DFBDHO CC[N@H+]1CC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861888 272378594 /nfs/dbraw/zinc/37/85/94/272378594.db2.gz KGDJHJRVBUFCJC-SCZPIIQISA-N 1 3 303.406 2.930 20 5 DFBDHO CCN1CC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861888 272378596 /nfs/dbraw/zinc/37/85/96/272378596.db2.gz KGDJHJRVBUFCJC-SCZPIIQISA-N 1 3 303.406 2.930 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000414777169 428404308 /nfs/dbraw/zinc/40/43/08/428404308.db2.gz GPUHNZWLDDHEMR-CZUORRHYSA-N 1 3 303.406 2.648 20 5 DFBDHO C[C@@H]1C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682027 428373520 /nfs/dbraw/zinc/37/35/20/428373520.db2.gz XKCFXQMOXWDWIX-ZIAGYGMSSA-N 1 3 303.406 2.947 20 5 DFBDHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414848505 428433853 /nfs/dbraw/zinc/43/38/53/428433853.db2.gz XBRALMXDUDNPHF-OFQRWUPVSA-N 1 3 305.422 2.751 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@@H]1CC[NH2+]C1 ZINC000414900370 428449258 /nfs/dbraw/zinc/44/92/58/428449258.db2.gz DNTKJAPXGALKSJ-IJEWVQPXSA-N 1 3 303.406 2.505 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000423348461 429070767 /nfs/dbraw/zinc/07/07/67/429070767.db2.gz TWNZSZPWZSWWEK-QWHCGFSZSA-N 1 3 309.435 2.665 20 5 DFBDHO CC1(C)C[C@H](NCC2=CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423363314 429072488 /nfs/dbraw/zinc/07/24/88/429072488.db2.gz YMDTWXUFMHDLBF-INIZCTEOSA-N 1 3 301.390 2.827 20 5 DFBDHO C[C@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000575244240 318072182 /nfs/dbraw/zinc/07/21/82/318072182.db2.gz QDQSIFDRHFTOAS-LBPRGKRZSA-N 1 3 307.369 2.698 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018851 295847636 /nfs/dbraw/zinc/84/76/36/295847636.db2.gz CVJFBXYCGYRYMI-HDJSIYSDSA-N 1 3 321.421 2.848 20 5 DFBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591580952 398773838 /nfs/dbraw/zinc/77/38/38/398773838.db2.gz HUIFKHRMKRBOJI-HZPDHXFCSA-N 1 3 301.390 2.704 20 5 DFBDHO CCOc1ccc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591579293 398773879 /nfs/dbraw/zinc/77/38/79/398773879.db2.gz GAHHHLCYBANRQL-MLGOLLRUSA-N 1 3 319.405 2.786 20 5 DFBDHO CN1CC[C@]2(C1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953081 /nfs/dbraw/zinc/95/30/81/398953081.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 1 3 303.406 2.555 20 5 DFBDHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953082 /nfs/dbraw/zinc/95/30/82/398953082.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 1 3 303.406 2.555 20 5 DFBDHO CC(C)N1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545163 399472619 /nfs/dbraw/zinc/47/26/19/399472619.db2.gz NOINQXVATCKJDP-INIZCTEOSA-N 1 3 305.422 2.847 20 5 DFBDHO CC(C)[N@@H+]1CCC[C@@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545163 399472621 /nfs/dbraw/zinc/47/26/21/399472621.db2.gz NOINQXVATCKJDP-INIZCTEOSA-N 1 3 305.422 2.847 20 5 DFBDHO CC(C)[N@H+]1CCC[C@@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545163 399472622 /nfs/dbraw/zinc/47/26/22/399472622.db2.gz NOINQXVATCKJDP-INIZCTEOSA-N 1 3 305.422 2.847 20 5 DFBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783317 296332372 /nfs/dbraw/zinc/33/23/72/296332372.db2.gz HFNNEDSLLVDCNN-GFCCVEGCSA-N 1 3 314.389 2.650 20 5 DFBDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423012208 296367513 /nfs/dbraw/zinc/36/75/13/296367513.db2.gz KHUVNIAVDZKEQA-RDTXWAMCSA-N 1 3 313.401 2.685 20 5 DFBDHO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297723256 427437807 /nfs/dbraw/zinc/43/78/07/427437807.db2.gz RZQSTUQEFPYYEB-UHFFFAOYSA-N 1 3 312.373 2.748 20 5 DFBDHO Cc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785406 428406715 /nfs/dbraw/zinc/40/67/15/428406715.db2.gz SPFPCTUYYSCQCM-CVEARBPZSA-N 1 3 303.406 2.725 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788579 428411150 /nfs/dbraw/zinc/41/11/50/428411150.db2.gz XCNHPCFJYRCRQH-QWHCGFSZSA-N 1 3 307.369 2.555 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@H]1CC[NH2+]C1 ZINC000414900373 428448915 /nfs/dbraw/zinc/44/89/15/428448915.db2.gz DNTKJAPXGALKSJ-OFQRWUPVSA-N 1 3 303.406 2.505 20 5 DFBDHO Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423452553 429090440 /nfs/dbraw/zinc/09/04/40/429090440.db2.gz ZBSHQSQGSAANIX-UHOFOFEASA-N 1 3 303.406 2.942 20 5 DFBDHO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000423367254 429074753 /nfs/dbraw/zinc/07/47/53/429074753.db2.gz DIGLFBJPCZFKGY-UHOFOFEASA-N 1 3 303.406 2.646 20 5 DFBDHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423367254 429074757 /nfs/dbraw/zinc/07/47/57/429074757.db2.gz DIGLFBJPCZFKGY-UHOFOFEASA-N 1 3 303.406 2.646 20 5 DFBDHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088997 429329533 /nfs/dbraw/zinc/32/95/33/429329533.db2.gz CNPOKXSJVLFWFE-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088997 429329538 /nfs/dbraw/zinc/32/95/38/429329538.db2.gz CNPOKXSJVLFWFE-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088997 429329543 /nfs/dbraw/zinc/32/95/43/429329543.db2.gz CNPOKXSJVLFWFE-LSDHHAIUSA-N 1 3 305.422 2.847 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433764 398425044 /nfs/dbraw/zinc/42/50/44/398425044.db2.gz TZZWBRDMZRVUKB-HZPDHXFCSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433637 398425209 /nfs/dbraw/zinc/42/52/09/398425209.db2.gz MXHOJXNIFCILRN-KGLIPLIRSA-N 1 3 321.396 2.946 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594734595 398852017 /nfs/dbraw/zinc/85/20/17/398852017.db2.gz CAPGVUZMKKNVRP-OAHLLOKOSA-N 1 3 303.406 2.806 20 5 DFBDHO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420269782 296167715 /nfs/dbraw/zinc/16/77/15/296167715.db2.gz BIGWYKUUFWVCHM-QWHCGFSZSA-N 1 3 314.389 2.803 20 5 DFBDHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422923308 296356149 /nfs/dbraw/zinc/35/61/49/296356149.db2.gz ROXAJMPIOVJNRI-WMLDXEAASA-N 1 3 305.422 2.895 20 5 DFBDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423012207 296367552 /nfs/dbraw/zinc/36/75/52/296367552.db2.gz KHUVNIAVDZKEQA-KSSFIOAISA-N 1 3 313.401 2.685 20 5 DFBDHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000423043959 296371444 /nfs/dbraw/zinc/37/14/44/296371444.db2.gz QFKBXRKRYDNOBZ-RISCZKNCSA-N 1 3 311.813 2.911 20 5 DFBDHO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262372572 146354995 /nfs/dbraw/zinc/35/49/95/146354995.db2.gz XPHIXXBVHMPBEZ-LBPRGKRZSA-N 1 3 300.362 2.863 20 5 DFBDHO CSC1(CNCc2csc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353190800 286575356 /nfs/dbraw/zinc/57/53/56/286575356.db2.gz JKMUQCNJBGEYLT-UHFFFAOYSA-N 1 3 315.464 2.573 20 5 DFBDHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000163223003 426093991 /nfs/dbraw/zinc/09/39/91/426093991.db2.gz VSSUVKVQQDCEPC-YOEHRIQHSA-N 1 3 317.433 2.847 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000285519006 427258809 /nfs/dbraw/zinc/25/88/09/427258809.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 1 3 319.405 2.531 20 5 DFBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000285519006 427258816 /nfs/dbraw/zinc/25/88/16/427258816.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 1 3 319.405 2.531 20 5 DFBDHO CCOc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319905 272311451 /nfs/dbraw/zinc/31/14/51/272311451.db2.gz HVKFTTYDIOEROP-ZDUSSCGKSA-N 1 3 319.405 2.906 20 5 DFBDHO CCOc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319905 272311455 /nfs/dbraw/zinc/31/14/55/272311455.db2.gz HVKFTTYDIOEROP-ZDUSSCGKSA-N 1 3 319.405 2.906 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414931328 428459772 /nfs/dbraw/zinc/45/97/72/428459772.db2.gz BPTPPMXUADEQBN-OHFALNGGSA-N 1 3 317.433 2.894 20 5 DFBDHO C[C@@H](CCCC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415011739 428488067 /nfs/dbraw/zinc/48/80/67/428488067.db2.gz IEHSQOLIOOBCFN-JTQLQIEISA-N 1 3 317.336 2.803 20 5 DFBDHO Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423452555 429090170 /nfs/dbraw/zinc/09/01/70/429090170.db2.gz ZBSHQSQGSAANIX-VBNZEHGJSA-N 1 3 303.406 2.942 20 5 DFBDHO CC(C)[NH+]1CCC(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449069525 429324421 /nfs/dbraw/zinc/32/44/21/429324421.db2.gz XQRUOVWSOVGNFV-AWEZNQCLSA-N 1 3 305.422 2.988 20 5 DFBDHO C[N@@H+]1CC[C@H]2[C@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565917 /nfs/dbraw/zinc/56/59/17/430565917.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO C[N@H+]1CC[C@H]2[C@H](CCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565922 /nfs/dbraw/zinc/56/59/22/430565922.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565924 /nfs/dbraw/zinc/56/59/24/430565924.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO CN1CC[C@H]2[C@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565926 /nfs/dbraw/zinc/56/59/26/430565926.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 1 3 303.406 2.553 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433824 398425724 /nfs/dbraw/zinc/42/57/24/398425724.db2.gz YIYVRVAIPGGXQP-HUUCEWRRSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1cccc(CN(CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420360942 296180110 /nfs/dbraw/zinc/18/01/10/296180110.db2.gz MQXOFBGHUSUTKZ-AWEZNQCLSA-N 1 3 303.406 2.949 20 5 DFBDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000422784144 296332282 /nfs/dbraw/zinc/33/22/82/296332282.db2.gz IFBJEWVNOFRRGZ-RHSMWYFYSA-N 1 3 313.401 2.685 20 5 DFBDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000422784145 296332481 /nfs/dbraw/zinc/33/24/81/296332481.db2.gz IFBJEWVNOFRRGZ-WMLDXEAASA-N 1 3 313.401 2.685 20 5 DFBDHO O=[N+]([O-])c1ccc(CCNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000602715044 399535339 /nfs/dbraw/zinc/53/53/39/399535339.db2.gz LXJKTJWGVQXKIS-QGZVFWFLSA-N 1 3 317.433 2.849 20 5 DFBDHO O=[N+]([O-])c1ccc(CCNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000602715044 399535341 /nfs/dbraw/zinc/53/53/41/399535341.db2.gz LXJKTJWGVQXKIS-QGZVFWFLSA-N 1 3 317.433 2.849 20 5 DFBDHO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000602715044 399535344 /nfs/dbraw/zinc/53/53/44/399535344.db2.gz LXJKTJWGVQXKIS-QGZVFWFLSA-N 1 3 317.433 2.849 20 5 DFBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CC1 ZINC000423274431 296399638 /nfs/dbraw/zinc/39/96/38/296399638.db2.gz KLXKYQXMKLSDHK-CHWSQXEVSA-N 1 3 309.435 2.792 20 5 DFBDHO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444513 /nfs/dbraw/zinc/44/45/13/426444513.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 1 3 307.394 2.518 20 5 DFBDHO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444516 /nfs/dbraw/zinc/44/45/16/426444516.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 1 3 307.394 2.518 20 5 DFBDHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692089 427589920 /nfs/dbraw/zinc/58/99/20/427589920.db2.gz DFYGCCKOQNNPCS-CXAGYDPISA-N 1 3 303.406 2.904 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785568 428408224 /nfs/dbraw/zinc/40/82/24/428408224.db2.gz SVEFMANMPCTBDL-XXMIHFJBSA-N 1 3 315.417 2.930 20 5 DFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088533 428383351 /nfs/dbraw/zinc/38/33/51/428383351.db2.gz XPJVNWZYJXNPAT-ZFWWWQNUSA-N 1 3 303.406 2.977 20 5 DFBDHO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414986459 428480248 /nfs/dbraw/zinc/48/02/48/428480248.db2.gz CKMDOXUGTYPXQX-JSGCOSHPSA-N 1 3 307.394 2.601 20 5 DFBDHO COc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302033 429123393 /nfs/dbraw/zinc/12/33/93/429123393.db2.gz YTMTZGCBWVEDFU-ZDUSSCGKSA-N 1 3 319.405 2.567 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596360493 398394940 /nfs/dbraw/zinc/39/49/40/398394940.db2.gz MGQYVIQIZJMOPF-AWEZNQCLSA-N 1 3 308.426 2.587 20 5 DFBDHO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596360493 398394944 /nfs/dbraw/zinc/39/49/44/398394944.db2.gz MGQYVIQIZJMOPF-AWEZNQCLSA-N 1 3 308.426 2.587 20 5 DFBDHO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433760 398425414 /nfs/dbraw/zinc/42/54/14/398425414.db2.gz SUHXSQXWYQXFOC-HZPDHXFCSA-N 1 3 303.406 2.806 20 5 DFBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734585 398851416 /nfs/dbraw/zinc/85/14/16/398851416.db2.gz BXWPEIKWZBEHKU-INIZCTEOSA-N 1 3 303.406 2.806 20 5 DFBDHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072044 398917196 /nfs/dbraw/zinc/91/71/96/398917196.db2.gz XAVNHBAFGGSLOE-BBRMVZONSA-N 1 3 303.406 2.904 20 5 DFBDHO CN1CC=C(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271834778 209254911 /nfs/dbraw/zinc/25/49/11/209254911.db2.gz FNOBOIKEFWUCLG-QGZVFWFLSA-N 1 3 315.417 2.767 20 5 DFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OCCC[NH3+])CC1 ZINC000420291367 296170304 /nfs/dbraw/zinc/17/03/04/296170304.db2.gz NMJAUFCUOBCHTQ-CQSZACIVSA-N 1 3 321.421 2.794 20 5 DFBDHO O=[N+]([O-])c1ccccc1CN(CCC1CC[NH2+]CC1)C1CC1 ZINC000420358535 296179568 /nfs/dbraw/zinc/17/95/68/296179568.db2.gz JJWDKKBTZYQALV-UHFFFAOYSA-N 1 3 303.406 2.949 20 5 DFBDHO O=[N+]([O-])c1ccc(CN(CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000420360846 296180133 /nfs/dbraw/zinc/18/01/33/296180133.db2.gz MJEREQIWCBPONY-UHFFFAOYSA-N 1 3 303.406 2.949 20 5 DFBDHO C[C@@H](CCNCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000602609690 399489298 /nfs/dbraw/zinc/48/92/98/399489298.db2.gz UZPBJPGUVWKOSG-HNNXBMFYSA-N 1 3 305.422 2.991 20 5 DFBDHO C[C@@H](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000602609690 399489303 /nfs/dbraw/zinc/48/93/03/399489303.db2.gz UZPBJPGUVWKOSG-HNNXBMFYSA-N 1 3 305.422 2.991 20 5 DFBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423220739 296394050 /nfs/dbraw/zinc/39/40/50/296394050.db2.gz YMCMNNOAICOZFO-FCLJQHQZSA-N 1 3 315.417 2.789 20 5 DFBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CC1 ZINC000423274434 296399483 /nfs/dbraw/zinc/39/94/83/296399483.db2.gz KLXKYQXMKLSDHK-STQMWFEESA-N 1 3 309.435 2.792 20 5 DFBDHO Cc1c([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423444153 296417376 /nfs/dbraw/zinc/41/73/76/296417376.db2.gz QXPCLIYLFZXHSH-VBNZEHGJSA-N 1 3 303.406 2.942 20 5 DFBDHO C[C@H]1CN(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000131438298 196168796 /nfs/dbraw/zinc/16/87/96/196168796.db2.gz MJZIYCFHCQCEHD-GJZGRUSLSA-N 1 3 321.421 2.574 20 5 DFBDHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247190232 426914627 /nfs/dbraw/zinc/91/46/27/426914627.db2.gz VSSUVKVQQDCEPC-RHSMWYFYSA-N 1 3 317.433 2.847 20 5 DFBDHO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN(C)C ZINC000293672803 427402995 /nfs/dbraw/zinc/40/29/95/427402995.db2.gz MTAXZXFCHJZTIG-CJNGLKHVSA-N 1 3 305.422 2.703 20 5 DFBDHO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000271172117 427431911 /nfs/dbraw/zinc/43/19/11/427431911.db2.gz UJUMSGGAWRCHRF-STQMWFEESA-N 1 3 309.410 2.984 20 5 DFBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785561 428406891 /nfs/dbraw/zinc/40/68/91/428406891.db2.gz SVEFMANMPCTBDL-NGTOWPRWSA-N 1 3 315.417 2.930 20 5 DFBDHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1ccc([N+](=O)[O-])cc1F ZINC000414871008 428441630 /nfs/dbraw/zinc/44/16/30/428441630.db2.gz NGLPGHWJCXGVFY-MTICYGMRSA-N 1 3 307.369 2.730 20 5 DFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899145 428450037 /nfs/dbraw/zinc/45/00/37/428450037.db2.gz CGLRKDAKWIEGCE-YOEHRIQHSA-N 1 3 305.422 2.895 20 5 DFBDHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414931329 428459507 /nfs/dbraw/zinc/45/95/07/428459507.db2.gz BPTPPMXUADEQBN-TXCZRRACSA-N 1 3 317.433 2.894 20 5 DFBDHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352726 429071581 /nfs/dbraw/zinc/07/15/81/429071581.db2.gz AKCZCIQGTRNSBJ-OHFALNGGSA-N 1 3 317.433 2.894 20 5 DFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000530326484 430111704 /nfs/dbraw/zinc/11/17/04/430111704.db2.gz VSVLHDYVJZVELE-MBSJSRAVSA-N 1 3 303.406 2.930 20 5 DFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000530326484 430111706 /nfs/dbraw/zinc/11/17/06/430111706.db2.gz VSVLHDYVJZVELE-MBSJSRAVSA-N 1 3 303.406 2.930 20 5 DFBDHO