smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806327 927684881 /nfs/dbraw/zinc/68/48/81/927684881.db2.gz QQLHUSWLNNSLRM-YJBOKZPZSA-N 2 1 355.438 3.771 20 5 FHBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806327 927684893 /nfs/dbraw/zinc/68/48/93/927684893.db2.gz QQLHUSWLNNSLRM-YJBOKZPZSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806327 927684897 /nfs/dbraw/zinc/68/48/97/927684897.db2.gz QQLHUSWLNNSLRM-YJBOKZPZSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806327 927684905 /nfs/dbraw/zinc/68/49/05/927684905.db2.gz QQLHUSWLNNSLRM-YJBOKZPZSA-N 2 1 355.438 3.771 20 5 FHBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000538795874 934905994 /nfs/dbraw/zinc/90/59/94/934905994.db2.gz BLFUZHSWHYAXGB-QFBILLFUSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000538795874 934905996 /nfs/dbraw/zinc/90/59/96/934905996.db2.gz BLFUZHSWHYAXGB-QFBILLFUSA-N 2 1 355.438 3.771 20 5 FHBDMP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000708540177 938815733 /nfs/dbraw/zinc/81/57/33/938815733.db2.gz SWEYEAQMSPPPKI-JXFKEZNVSA-N 2 1 353.466 3.761 20 5 FHBDMP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000708540180 938816007 /nfs/dbraw/zinc/81/60/07/938816007.db2.gz SWEYEAQMSPPPKI-OXQOHEQNSA-N 2 1 353.466 3.761 20 5 FHBDMP CC(C)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000236649244 940114655 /nfs/dbraw/zinc/11/46/55/940114655.db2.gz LMZWYDJCQKMNGB-CALCHBBNSA-N 2 1 363.502 3.697 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000092072453 940310727 /nfs/dbraw/zinc/31/07/27/940310727.db2.gz LHNQWTNZUQYISD-CQSZACIVSA-N 2 1 352.394 3.958 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414171575 940703058 /nfs/dbraw/zinc/70/30/58/940703058.db2.gz DCUKCNOSQDVCGP-HOTGVXAUSA-N 2 1 351.516 3.787 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000414785731 941466363 /nfs/dbraw/zinc/46/63/63/941466363.db2.gz TVJONBNYVRKNPV-IRXDYDNUSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016866 943366122 /nfs/dbraw/zinc/36/61/22/943366122.db2.gz NMECIBXSDWMTBJ-NQYLQCIDSA-N 2 1 353.422 3.501 20 5 FHBDMP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435430934 943409644 /nfs/dbraw/zinc/40/96/44/943409644.db2.gz GCKXMOSLBWRJSY-GOSISDBHSA-N 2 1 357.479 3.801 20 5 FHBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584790526 943610903 /nfs/dbraw/zinc/61/09/03/943610903.db2.gz QIFKAYXCBJFSNK-YLJYHZDGSA-N 2 1 351.450 3.694 20 5 FHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000516997892 943901135 /nfs/dbraw/zinc/90/11/35/943901135.db2.gz MZXGMPSSODKCGJ-UHFFFAOYSA-N 2 1 357.454 3.687 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012188 937173701 /nfs/dbraw/zinc/17/37/01/937173701.db2.gz LIVYFSNAYIQICZ-IEZWGBDMSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012188 937173704 /nfs/dbraw/zinc/17/37/04/937173704.db2.gz LIVYFSNAYIQICZ-IEZWGBDMSA-N 2 1 363.502 3.691 20 5 FHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090909940 932607744 /nfs/dbraw/zinc/60/77/44/932607744.db2.gz AWKAFWUWOAUWBD-OAHLLOKOSA-N 2 1 350.422 3.982 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000090910155 932608493 /nfs/dbraw/zinc/60/84/93/932608493.db2.gz XXCNKTONXUBEGE-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000090910155 932608496 /nfs/dbraw/zinc/60/84/96/932608496.db2.gz XXCNKTONXUBEGE-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000128153928 938525663 /nfs/dbraw/zinc/52/56/63/938525663.db2.gz UHIUUIHUAITGST-INIZCTEOSA-N 2 1 354.454 3.926 20 5 FHBDMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc(C)[nH+]1 ZINC000162268777 940263675 /nfs/dbraw/zinc/26/36/75/940263675.db2.gz UAWBNPODWPXTNL-OAHLLOKOSA-N 2 1 369.469 3.630 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414783291 941463529 /nfs/dbraw/zinc/46/35/29/941463529.db2.gz PTPHPWWKOPSAPN-HZPDHXFCSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000414811257 941472566 /nfs/dbraw/zinc/47/25/66/941472566.db2.gz PNNJOQBPEMLULE-LLVKDONJSA-N 2 1 351.353 3.506 20 5 FHBDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116359 942928443 /nfs/dbraw/zinc/92/84/43/942928443.db2.gz HIXUJUXKOIYELJ-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116359 942928449 /nfs/dbraw/zinc/92/84/49/942928449.db2.gz HIXUJUXKOIYELJ-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116359 942928452 /nfs/dbraw/zinc/92/84/52/942928452.db2.gz HIXUJUXKOIYELJ-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435061540 943136567 /nfs/dbraw/zinc/13/65/67/943136567.db2.gz QDOOUZOXKVPQOP-UHFFFAOYSA-N 2 1 354.454 3.816 20 5 FHBDMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016869 943365747 /nfs/dbraw/zinc/36/57/47/943365747.db2.gz NMECIBXSDWMTBJ-VHFSOBRXSA-N 2 1 353.422 3.501 20 5 FHBDMP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430935 943409434 /nfs/dbraw/zinc/40/94/34/943409434.db2.gz GCKXMOSLBWRJSY-SFHVURJKSA-N 2 1 357.479 3.801 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551691 946322566 /nfs/dbraw/zinc/32/25/66/946322566.db2.gz XCMKSRSKIPEPTE-OAHLLOKOSA-N 2 1 373.453 3.683 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551691 946322576 /nfs/dbraw/zinc/32/25/76/946322576.db2.gz XCMKSRSKIPEPTE-OAHLLOKOSA-N 2 1 373.453 3.683 20 5 FHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000568831069 568231122 /nfs/dbraw/zinc/23/11/22/568231122.db2.gz IKUKJNTWWVDXCV-UHFFFAOYSA-N 2 1 354.454 3.550 20 5 FHBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853489 934939211 /nfs/dbraw/zinc/93/92/11/934939211.db2.gz CXMVGKZTZZCPDC-LEWJYISDSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853489 934939214 /nfs/dbraw/zinc/93/92/14/934939214.db2.gz CXMVGKZTZZCPDC-LEWJYISDSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853489 934939218 /nfs/dbraw/zinc/93/92/18/934939218.db2.gz CXMVGKZTZZCPDC-LEWJYISDSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853489 934939219 /nfs/dbraw/zinc/93/92/19/934939219.db2.gz CXMVGKZTZZCPDC-LEWJYISDSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000178655559 936087316 /nfs/dbraw/zinc/08/73/16/936087316.db2.gz AAUODVOYOVWCDH-HNNXBMFYSA-N 2 1 372.469 3.762 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951292 941524955 /nfs/dbraw/zinc/52/49/55/941524955.db2.gz POJUYLVUEZJMPL-DOTOQJQBSA-N 2 1 354.454 3.593 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085694 943388725 /nfs/dbraw/zinc/38/87/25/943388725.db2.gz KHYJHCVSFRKRJS-OWCLPIDISA-N 2 1 357.376 3.624 20 5 FHBDMP O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684587 943545393 /nfs/dbraw/zinc/54/53/93/943545393.db2.gz VUFKOBBSDOCVSC-GOSISDBHSA-N 2 1 357.479 3.801 20 5 FHBDMP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684587 943545397 /nfs/dbraw/zinc/54/53/97/943545397.db2.gz VUFKOBBSDOCVSC-GOSISDBHSA-N 2 1 357.479 3.801 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247983786 937151292 /nfs/dbraw/zinc/15/12/92/937151292.db2.gz IPUZUDQHXJDZIU-UXPWSPDFSA-N 2 1 363.502 3.773 20 5 FHBDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc(C)[nH+]1 ZINC000162268896 940262416 /nfs/dbraw/zinc/26/24/16/940262416.db2.gz UAWBNPODWPXTNL-HNNXBMFYSA-N 2 1 369.469 3.630 20 5 FHBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@H]12 ZINC000414675502 941433703 /nfs/dbraw/zinc/43/37/03/941433703.db2.gz TXSQTWOMSHIKSG-XQAQDONZSA-N 2 1 361.829 3.677 20 5 FHBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414944928 941523543 /nfs/dbraw/zinc/52/35/43/941523543.db2.gz QRXRLHQPWRUIMW-GUYCJALGSA-N 2 1 359.401 3.614 20 5 FHBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414944926 941523662 /nfs/dbraw/zinc/52/36/62/941523662.db2.gz QRXRLHQPWRUIMW-DYVFJYSZSA-N 2 1 359.401 3.614 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000415036619 941552908 /nfs/dbraw/zinc/55/29/08/941552908.db2.gz FPYALCNMILFWHJ-QFBILLFUSA-N 2 1 355.438 3.819 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000415057757 941570607 /nfs/dbraw/zinc/57/06/07/941570607.db2.gz URVPNIATTPQHPE-QFBILLFUSA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656396 943117270 /nfs/dbraw/zinc/11/72/70/943117270.db2.gz FOVKQOFRIBGDDV-NVXWUHKLSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656396 943117272 /nfs/dbraw/zinc/11/72/72/943117272.db2.gz FOVKQOFRIBGDDV-NVXWUHKLSA-N 2 1 354.454 3.532 20 5 FHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000417301381 943495140 /nfs/dbraw/zinc/49/51/40/943495140.db2.gz BJQURLCCXYELDK-HXUWFJFHSA-N 2 1 373.497 3.597 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658228 930655746 /nfs/dbraw/zinc/65/57/46/930655746.db2.gz FNNKWRNFNOOSQH-HXUWFJFHSA-N 2 1 354.454 3.533 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658228 930655747 /nfs/dbraw/zinc/65/57/47/930655747.db2.gz FNNKWRNFNOOSQH-HXUWFJFHSA-N 2 1 354.454 3.533 20 5 FHBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806325 934412512 /nfs/dbraw/zinc/41/25/12/934412512.db2.gz QQLHUSWLNNSLRM-MAUKXSAKSA-N 2 1 355.438 3.771 20 5 FHBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806325 934412515 /nfs/dbraw/zinc/41/25/15/934412515.db2.gz QQLHUSWLNNSLRM-MAUKXSAKSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806325 934412518 /nfs/dbraw/zinc/41/25/18/934412518.db2.gz QQLHUSWLNNSLRM-MAUKXSAKSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806325 934412523 /nfs/dbraw/zinc/41/25/23/934412523.db2.gz QQLHUSWLNNSLRM-MAUKXSAKSA-N 2 1 355.438 3.771 20 5 FHBDMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000128133516 938328620 /nfs/dbraw/zinc/32/86/20/938328620.db2.gz SHNQDPVSWMCUDU-INIZCTEOSA-N 2 1 354.454 3.926 20 5 FHBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428710 945206201 /nfs/dbraw/zinc/20/62/01/945206201.db2.gz IBDCOFDZXWUZGN-INIZCTEOSA-N 2 1 373.428 3.958 20 5 FHBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428710 945206209 /nfs/dbraw/zinc/20/62/09/945206209.db2.gz IBDCOFDZXWUZGN-INIZCTEOSA-N 2 1 373.428 3.958 20 5 FHBDMP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180459759 941023215 /nfs/dbraw/zinc/02/32/15/941023215.db2.gz NRAFIZHQYHPBDE-GJZGRUSLSA-N 2 1 372.425 3.895 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000415057754 941570682 /nfs/dbraw/zinc/57/06/82/941570682.db2.gz URVPNIATTPQHPE-LPHOPBHVSA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501041033 942270440 /nfs/dbraw/zinc/27/04/40/942270440.db2.gz UUYLHLFSHDCTBZ-INIZCTEOSA-N 2 1 354.454 3.899 20 5 FHBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501074393 942296519 /nfs/dbraw/zinc/29/65/19/942296519.db2.gz HOKNMVXOUUTEPE-INIZCTEOSA-N 2 1 354.454 3.899 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000435382168 943370789 /nfs/dbraw/zinc/37/07/89/943370789.db2.gz ZVBWEWOKESYHKK-SFHVURJKSA-N 2 1 372.494 3.682 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000504912465 943908807 /nfs/dbraw/zinc/90/88/07/943908807.db2.gz WQESZZULQNKEAV-ZBFHGGJFSA-N 2 1 362.499 3.896 20 5 FHBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCC[NH+]1C ZINC000072758971 944740532 /nfs/dbraw/zinc/74/05/32/944740532.db2.gz FBWXPGZUILUDIB-KRWDZBQOSA-N 2 1 372.469 3.599 20 5 FHBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCC[NH+]1C ZINC000072758971 944740542 /nfs/dbraw/zinc/74/05/42/944740542.db2.gz FBWXPGZUILUDIB-KRWDZBQOSA-N 2 1 372.469 3.599 20 5 FHBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072758971 944740550 /nfs/dbraw/zinc/74/05/50/944740550.db2.gz FBWXPGZUILUDIB-KRWDZBQOSA-N 2 1 372.469 3.599 20 5 FHBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCC[N@H+]1C ZINC000072758971 944740558 /nfs/dbraw/zinc/74/05/58/944740558.db2.gz FBWXPGZUILUDIB-KRWDZBQOSA-N 2 1 372.469 3.599 20 5 FHBDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770366 947212523 /nfs/dbraw/zinc/21/25/23/947212523.db2.gz ZMSBTYLWSLCXTO-OAHLLOKOSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770366 947212532 /nfs/dbraw/zinc/21/25/32/947212532.db2.gz ZMSBTYLWSLCXTO-OAHLLOKOSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770366 947212537 /nfs/dbraw/zinc/21/25/37/947212537.db2.gz ZMSBTYLWSLCXTO-OAHLLOKOSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770366 947212542 /nfs/dbraw/zinc/21/25/42/947212542.db2.gz ZMSBTYLWSLCXTO-OAHLLOKOSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770366 947212546 /nfs/dbraw/zinc/21/25/46/947212546.db2.gz ZMSBTYLWSLCXTO-OAHLLOKOSA-N 2 1 373.453 3.637 20 5 FHBDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312594193 929799631 /nfs/dbraw/zinc/79/96/31/929799631.db2.gz XIDUNLDAZIYWRW-APWZRJJASA-N 2 1 369.465 3.604 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379648144 930497872 /nfs/dbraw/zinc/49/78/72/930497872.db2.gz MANCJVKVUROFJJ-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000379648144 930497875 /nfs/dbraw/zinc/49/78/75/930497875.db2.gz MANCJVKVUROFJJ-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969881 930964092 /nfs/dbraw/zinc/96/40/92/930964092.db2.gz IAYIEQQLHDHCBU-GOSISDBHSA-N 2 1 361.829 3.694 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969881 930964099 /nfs/dbraw/zinc/96/40/99/930964099.db2.gz IAYIEQQLHDHCBU-GOSISDBHSA-N 2 1 361.829 3.694 20 5 FHBDMP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000561711596 933595716 /nfs/dbraw/zinc/59/57/16/933595716.db2.gz AMFQNDUWMJQPOE-UHFFFAOYSA-N 2 1 371.456 3.573 20 5 FHBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806326 934412631 /nfs/dbraw/zinc/41/26/31/934412631.db2.gz QQLHUSWLNNSLRM-QAPCUYQASA-N 2 1 355.438 3.771 20 5 FHBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806326 934412634 /nfs/dbraw/zinc/41/26/34/934412634.db2.gz QQLHUSWLNNSLRM-QAPCUYQASA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806326 934412638 /nfs/dbraw/zinc/41/26/38/934412638.db2.gz QQLHUSWLNNSLRM-QAPCUYQASA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000535806326 934412641 /nfs/dbraw/zinc/41/26/41/934412641.db2.gz QQLHUSWLNNSLRM-QAPCUYQASA-N 2 1 355.438 3.771 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414171573 940703185 /nfs/dbraw/zinc/70/31/85/940703185.db2.gz DCUKCNOSQDVCGP-CVEARBPZSA-N 2 1 351.516 3.787 20 5 FHBDMP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501026888 942269003 /nfs/dbraw/zinc/26/90/03/942269003.db2.gz SWFDJKACXHGWNG-UHFFFAOYSA-N 2 1 374.872 3.992 20 5 FHBDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114277 942927182 /nfs/dbraw/zinc/92/71/82/942927182.db2.gz CASZZYYLDLPXPG-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114277 942927186 /nfs/dbraw/zinc/92/71/86/942927186.db2.gz CASZZYYLDLPXPG-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114277 942927190 /nfs/dbraw/zinc/92/71/90/942927190.db2.gz CASZZYYLDLPXPG-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114277 942927193 /nfs/dbraw/zinc/92/71/93/942927193.db2.gz CASZZYYLDLPXPG-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684588 943545076 /nfs/dbraw/zinc/54/50/76/943545076.db2.gz VUFKOBBSDOCVSC-SFHVURJKSA-N 2 1 357.479 3.801 20 5 FHBDMP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684588 943545082 /nfs/dbraw/zinc/54/50/82/943545082.db2.gz VUFKOBBSDOCVSC-SFHVURJKSA-N 2 1 357.479 3.801 20 5 FHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373483 943355157 /nfs/dbraw/zinc/35/51/57/943355157.db2.gz DRZGMXWPKYFLDA-ZFWWWQNUSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373483 943355160 /nfs/dbraw/zinc/35/51/60/943355160.db2.gz DRZGMXWPKYFLDA-ZFWWWQNUSA-N 2 1 359.401 3.695 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085692 943388981 /nfs/dbraw/zinc/38/89/81/943388981.db2.gz KHYJHCVSFRKRJS-HRCADAONSA-N 2 1 357.376 3.624 20 5 FHBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236826613 948617157 /nfs/dbraw/zinc/61/71/57/948617157.db2.gz KGCUDPHYHMIXKX-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236826613 948617161 /nfs/dbraw/zinc/61/71/61/948617161.db2.gz KGCUDPHYHMIXKX-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170126 937281357 /nfs/dbraw/zinc/28/13/57/937281357.db2.gz UPEHRAHVRLIMRY-SCTDSRPQSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170126 937281358 /nfs/dbraw/zinc/28/13/58/937281358.db2.gz UPEHRAHVRLIMRY-SCTDSRPQSA-N 2 1 363.502 3.691 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)s2)cc1 ZINC000581517917 932195843 /nfs/dbraw/zinc/19/58/43/932195843.db2.gz CWMHRIJLWKCBMD-CYBMUJFWSA-N 2 1 354.435 3.694 20 5 FHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000178655581 936087687 /nfs/dbraw/zinc/08/76/87/936087687.db2.gz AAUODVOYOVWCDH-OAHLLOKOSA-N 2 1 372.469 3.762 20 5 FHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000364209893 939913845 /nfs/dbraw/zinc/91/38/45/939913845.db2.gz YCNTUWUWQRKXAC-CQSZACIVSA-N 2 1 374.510 3.923 20 5 FHBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656397 941428703 /nfs/dbraw/zinc/42/87/03/941428703.db2.gz FOVKQOFRIBGDDV-RDJZCZTQSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656397 941428707 /nfs/dbraw/zinc/42/87/07/941428707.db2.gz FOVKQOFRIBGDDV-RDJZCZTQSA-N 2 1 354.454 3.532 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000509989610 942884055 /nfs/dbraw/zinc/88/40/55/942884055.db2.gz GSKCBQDZHAZGNZ-UHFFFAOYSA-N 2 1 370.409 3.548 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414658346 943123611 /nfs/dbraw/zinc/12/36/11/943123611.db2.gz QNJJYIHCINBUNN-UHFFFAOYSA-N 2 1 354.454 3.547 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414658346 943123616 /nfs/dbraw/zinc/12/36/16/943123616.db2.gz QNJJYIHCINBUNN-UHFFFAOYSA-N 2 1 354.454 3.547 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085688 943389101 /nfs/dbraw/zinc/38/91/01/943389101.db2.gz KHYJHCVSFRKRJS-ARFHVFGLSA-N 2 1 357.376 3.624 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000414776268 943760374 /nfs/dbraw/zinc/76/03/74/943760374.db2.gz GWMRAQWBEOOJAK-IRXDYDNUSA-N 2 1 355.438 3.676 20 5 FHBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415733 943851602 /nfs/dbraw/zinc/85/16/02/943851602.db2.gz KEMOHOBQDIJXEB-WFASDCNBSA-N 2 1 370.291 3.519 20 5 FHBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509597665 944763150 /nfs/dbraw/zinc/76/31/50/944763150.db2.gz CASSIMQSSQCSDJ-CALCHBBNSA-N 2 1 363.502 3.841 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278901583 948045701 /nfs/dbraw/zinc/04/57/01/948045701.db2.gz FVTFIPDHWJBYOU-GJZGRUSLSA-N 2 1 360.483 3.514 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248170124 937281579 /nfs/dbraw/zinc/28/15/79/937281579.db2.gz UPEHRAHVRLIMRY-LMMKCTJWSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248170124 937281580 /nfs/dbraw/zinc/28/15/80/937281580.db2.gz UPEHRAHVRLIMRY-LMMKCTJWSA-N 2 1 363.502 3.691 20 5 FHBDMP O=[N+]([O-])c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180136132 940679119 /nfs/dbraw/zinc/67/91/19/940679119.db2.gz PRNLVSZXBYMMHW-XDNSSPFJSA-N 2 1 365.477 3.923 20 5 FHBDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656398 941428766 /nfs/dbraw/zinc/42/87/66/941428766.db2.gz FOVKQOFRIBGDDV-WBVHZDCISA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656398 941428768 /nfs/dbraw/zinc/42/87/68/941428768.db2.gz FOVKQOFRIBGDDV-WBVHZDCISA-N 2 1 354.454 3.532 20 5 FHBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@@H]12 ZINC000414675490 941433454 /nfs/dbraw/zinc/43/34/54/941433454.db2.gz TXSQTWOMSHIKSG-RGYTYGDFSA-N 2 1 361.829 3.677 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414783295 941463581 /nfs/dbraw/zinc/46/35/81/941463581.db2.gz PTPHPWWKOPSAPN-JKSUJKDBSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414944924 941523355 /nfs/dbraw/zinc/52/33/55/941523355.db2.gz QRXRLHQPWRUIMW-CXAGYDPISA-N 2 1 359.401 3.614 20 5 FHBDMP C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCn2ccnc2C1 ZINC000377651081 941865420 /nfs/dbraw/zinc/86/54/20/941865420.db2.gz MZNKVOZXMYXZGQ-MRXNPFEDSA-N 2 1 373.456 3.837 20 5 FHBDMP C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377651081 941865425 /nfs/dbraw/zinc/86/54/25/941865425.db2.gz MZNKVOZXMYXZGQ-MRXNPFEDSA-N 2 1 373.456 3.837 20 5 FHBDMP C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377651081 941865429 /nfs/dbraw/zinc/86/54/29/941865429.db2.gz MZNKVOZXMYXZGQ-MRXNPFEDSA-N 2 1 373.456 3.837 20 5 FHBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379940 943369645 /nfs/dbraw/zinc/36/96/45/943369645.db2.gz LNKJOWXEWQBFEJ-ZFWWWQNUSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379940 943369652 /nfs/dbraw/zinc/36/96/52/943369652.db2.gz LNKJOWXEWQBFEJ-ZFWWWQNUSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333689 929509254 /nfs/dbraw/zinc/50/92/54/929509254.db2.gz KCLXVJUSCIGDQE-MJGOQNOKSA-N 2 1 353.466 3.810 20 5 FHBDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333689 929509264 /nfs/dbraw/zinc/50/92/64/929509264.db2.gz KCLXVJUSCIGDQE-MJGOQNOKSA-N 2 1 353.466 3.810 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1Oc1ccc(F)cc1 ZINC000415067675 941584058 /nfs/dbraw/zinc/58/40/58/941584058.db2.gz KVKVTDKQXRHFAT-UHFFFAOYSA-N 2 1 359.401 3.758 20 5 FHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373480 943355046 /nfs/dbraw/zinc/35/50/46/943355046.db2.gz DRZGMXWPKYFLDA-UKRRQHHQSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373480 943355052 /nfs/dbraw/zinc/35/50/52/943355052.db2.gz DRZGMXWPKYFLDA-UKRRQHHQSA-N 2 1 359.401 3.695 20 5 FHBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000504929539 943926449 /nfs/dbraw/zinc/92/64/49/943926449.db2.gz JNUJFYLEYLNTHE-HOTGVXAUSA-N 2 1 351.516 3.787 20 5 FHBDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478389 944308912 /nfs/dbraw/zinc/30/89/12/944308912.db2.gz GIRFPCVQJXGIHT-ROUUACIJSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478389 944308920 /nfs/dbraw/zinc/30/89/20/944308920.db2.gz GIRFPCVQJXGIHT-ROUUACIJSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478389 944308933 /nfs/dbraw/zinc/30/89/33/944308933.db2.gz GIRFPCVQJXGIHT-ROUUACIJSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478389 944308940 /nfs/dbraw/zinc/30/89/40/944308940.db2.gz GIRFPCVQJXGIHT-ROUUACIJSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237446427 946713794 /nfs/dbraw/zinc/71/37/94/946713794.db2.gz YOKKRJBZMYVZGF-CQSZACIVSA-N 2 1 361.417 3.956 20 5 FHBDMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333561 929509535 /nfs/dbraw/zinc/50/95/35/929509535.db2.gz KCLXVJUSCIGDQE-HKUYNNGSSA-N 2 1 353.466 3.810 20 5 FHBDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333561 929509555 /nfs/dbraw/zinc/50/95/55/929509555.db2.gz KCLXVJUSCIGDQE-HKUYNNGSSA-N 2 1 353.466 3.810 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658225 930655692 /nfs/dbraw/zinc/65/56/92/930655692.db2.gz FNNKWRNFNOOSQH-FQEVSTJZSA-N 2 1 354.454 3.533 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261658225 930655697 /nfs/dbraw/zinc/65/56/97/930655697.db2.gz FNNKWRNFNOOSQH-FQEVSTJZSA-N 2 1 354.454 3.533 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130929 945110762 /nfs/dbraw/zinc/11/07/62/945110762.db2.gz MKWSKWFAZKZYBE-SJKOYZFVSA-N 2 1 361.829 3.692 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130929 945110765 /nfs/dbraw/zinc/11/07/65/945110765.db2.gz MKWSKWFAZKZYBE-SJKOYZFVSA-N 2 1 361.829 3.692 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414898940 941505195 /nfs/dbraw/zinc/50/51/95/941505195.db2.gz BBHRPQBDXACAOU-MRXNPFEDSA-N 2 1 359.401 3.758 20 5 FHBDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373476 943355202 /nfs/dbraw/zinc/35/52/02/943355202.db2.gz DRZGMXWPKYFLDA-DZGCQCFKSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373476 943355206 /nfs/dbraw/zinc/35/52/06/943355206.db2.gz DRZGMXWPKYFLDA-DZGCQCFKSA-N 2 1 359.401 3.695 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Oc1ccccc1Cl ZINC000414787009 943899295 /nfs/dbraw/zinc/89/92/95/943899295.db2.gz KYQHJQXQKXZDSQ-UHFFFAOYSA-N 2 1 361.829 3.882 20 5 FHBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478388 944307060 /nfs/dbraw/zinc/30/70/60/944307060.db2.gz GIRFPCVQJXGIHT-QZTJIDSGSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478388 944307071 /nfs/dbraw/zinc/30/70/71/944307071.db2.gz GIRFPCVQJXGIHT-QZTJIDSGSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478388 944307076 /nfs/dbraw/zinc/30/70/76/944307076.db2.gz GIRFPCVQJXGIHT-QZTJIDSGSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478388 944307082 /nfs/dbraw/zinc/30/70/82/944307082.db2.gz GIRFPCVQJXGIHT-QZTJIDSGSA-N 2 1 361.486 3.560 20 5 FHBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237410870 946363252 /nfs/dbraw/zinc/36/32/52/946363252.db2.gz QZPKCPHYAAUOEI-AWEZNQCLSA-N 2 1 354.410 3.786 20 5 FHBDMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444691205 947114482 /nfs/dbraw/zinc/11/44/82/947114482.db2.gz XQWQQLCAYCBQTM-UHFFFAOYSA-N 2 1 373.501 3.805 20 5 FHBDMP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000541955073 568284853 /nfs/dbraw/zinc/28/48/53/568284853.db2.gz UYXAPFAPKZEANA-CQSZACIVSA-N 2 1 366.421 3.948 20 5 FHBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584720140 568576457 /nfs/dbraw/zinc/57/64/57/568576457.db2.gz USLZOGGQEQAHFB-HXUWFJFHSA-N 2 1 365.477 3.924 20 5 FHBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584720140 568576458 /nfs/dbraw/zinc/57/64/58/568576458.db2.gz USLZOGGQEQAHFB-HXUWFJFHSA-N 2 1 365.477 3.924 20 5 FHBDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424108 939018536 /nfs/dbraw/zinc/01/85/36/939018536.db2.gz MSFZDCFLCSNSCH-OAHLLOKOSA-N 2 1 373.453 3.685 20 5 FHBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424108 939018537 /nfs/dbraw/zinc/01/85/37/939018537.db2.gz MSFZDCFLCSNSCH-OAHLLOKOSA-N 2 1 373.453 3.685 20 5 FHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666313 941431273 /nfs/dbraw/zinc/43/12/73/941431273.db2.gz WOYWNSAOYQDNSN-RDJZCZTQSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666313 941431276 /nfs/dbraw/zinc/43/12/76/941431276.db2.gz WOYWNSAOYQDNSN-RDJZCZTQSA-N 2 1 354.454 3.532 20 5 FHBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@@H]12 ZINC000414675495 941433768 /nfs/dbraw/zinc/43/37/68/941433768.db2.gz TXSQTWOMSHIKSG-UXEPBGEESA-N 2 1 361.829 3.677 20 5 FHBDMP C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCC[NH2+]C1 ZINC000414858882 941488075 /nfs/dbraw/zinc/48/80/75/941488075.db2.gz STMNGVRROZDEOL-STQMWFEESA-N 2 1 363.845 3.986 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414954963 941525908 /nfs/dbraw/zinc/52/59/08/941525908.db2.gz TUHSYECXYFXAME-CJNGLKHVSA-N 2 1 359.401 3.756 20 5 FHBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703860 941918978 /nfs/dbraw/zinc/91/89/78/941918978.db2.gz PZHWIEDAHOXTKP-GQCTYLIASA-N 2 1 352.438 3.604 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000504912462 943908839 /nfs/dbraw/zinc/90/88/39/943908839.db2.gz WQESZZULQNKEAV-GDBMZVCRSA-N 2 1 362.499 3.896 20 5 FHBDMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655972 944192231 /nfs/dbraw/zinc/19/22/31/944192231.db2.gz LOPRSFIYXUDLQU-OAQYLSRUSA-N 2 1 369.465 3.605 20 5 FHBDMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655972 944192239 /nfs/dbraw/zinc/19/22/39/944192239.db2.gz LOPRSFIYXUDLQU-OAQYLSRUSA-N 2 1 369.465 3.605 20 5 FHBDMP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000444661262 947079982 /nfs/dbraw/zinc/07/99/82/947079982.db2.gz UITGVVVXKLWMOZ-UHFFFAOYSA-N 2 1 371.485 3.559 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278901586 948045930 /nfs/dbraw/zinc/04/59/30/948045930.db2.gz FVTFIPDHWJBYOU-HUUCEWRRSA-N 2 1 360.483 3.514 20 5 FHBDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541999197 568394135 /nfs/dbraw/zinc/39/41/35/568394135.db2.gz RRWGGCCLIUQPQN-UHFFFAOYSA-N 2 1 369.893 3.571 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247983784 937151415 /nfs/dbraw/zinc/15/14/15/937151415.db2.gz IPUZUDQHXJDZIU-AHRSYUTCSA-N 2 1 363.502 3.773 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000248012192 937174244 /nfs/dbraw/zinc/17/42/44/937174244.db2.gz LIVYFSNAYIQICZ-SUMDDJOVSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000248012192 937174246 /nfs/dbraw/zinc/17/42/46/937174246.db2.gz LIVYFSNAYIQICZ-SUMDDJOVSA-N 2 1 363.502 3.691 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379648142 930498032 /nfs/dbraw/zinc/49/80/32/930498032.db2.gz MANCJVKVUROFJJ-FXAWDEMLSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000379648142 930498039 /nfs/dbraw/zinc/49/80/39/930498039.db2.gz MANCJVKVUROFJJ-FXAWDEMLSA-N 2 1 353.466 3.780 20 5 FHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060377440 931207767 /nfs/dbraw/zinc/20/77/67/931207767.db2.gz SSGVROPVWGEHEE-UHFFFAOYSA-N 2 1 353.466 3.939 20 5 FHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000394053997 932322966 /nfs/dbraw/zinc/32/29/66/932322966.db2.gz ZBTKSTOJQHCHSA-FQEVSTJZSA-N 2 1 353.466 3.987 20 5 FHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000394053997 932322972 /nfs/dbraw/zinc/32/29/72/932322972.db2.gz ZBTKSTOJQHCHSA-FQEVSTJZSA-N 2 1 353.466 3.987 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000414785732 941466449 /nfs/dbraw/zinc/46/64/49/941466449.db2.gz TVJONBNYVRKNPV-SJORKVTESA-N 2 1 355.438 3.676 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000415036618 941552548 /nfs/dbraw/zinc/55/25/48/941552548.db2.gz FPYALCNMILFWHJ-LPHOPBHVSA-N 2 1 355.438 3.819 20 5 FHBDMP COc1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000435374986 943357189 /nfs/dbraw/zinc/35/71/89/943357189.db2.gz KOMDVXIQBJYSNN-YIONKMFJSA-N 2 1 371.437 3.578 20 5 FHBDMP COc1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000435374986 943357193 /nfs/dbraw/zinc/35/71/93/943357193.db2.gz KOMDVXIQBJYSNN-YIONKMFJSA-N 2 1 371.437 3.578 20 5 FHBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000517134283 944035626 /nfs/dbraw/zinc/03/56/26/944035626.db2.gz VNRXOVLYBMXKAE-UHFFFAOYSA-N 2 1 363.502 3.934 20 5 FHBDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478390 944308787 /nfs/dbraw/zinc/30/87/87/944308787.db2.gz GIRFPCVQJXGIHT-ZWKOTPCHSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478390 944308796 /nfs/dbraw/zinc/30/87/96/944308796.db2.gz GIRFPCVQJXGIHT-ZWKOTPCHSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478390 944308802 /nfs/dbraw/zinc/30/88/02/944308802.db2.gz GIRFPCVQJXGIHT-ZWKOTPCHSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478390 944308810 /nfs/dbraw/zinc/30/88/10/944308810.db2.gz GIRFPCVQJXGIHT-ZWKOTPCHSA-N 2 1 361.486 3.560 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237429803 946457586 /nfs/dbraw/zinc/45/75/86/946457586.db2.gz HLRUSRWGSDVJJK-HNNXBMFYSA-N 2 1 373.453 3.685 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278901581 948045883 /nfs/dbraw/zinc/04/58/83/948045883.db2.gz FVTFIPDHWJBYOU-CABCVRRESA-N 2 1 360.483 3.514 20 5 FHBDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258740 934849775 /nfs/dbraw/zinc/84/97/75/934849775.db2.gz QTIJEUAWODPAFM-SFHVURJKSA-N 2 1 350.462 3.862 20 5 FHBDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258740 934849778 /nfs/dbraw/zinc/84/97/78/934849778.db2.gz QTIJEUAWODPAFM-SFHVURJKSA-N 2 1 350.462 3.862 20 5 FHBDMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000128133263 938326221 /nfs/dbraw/zinc/32/62/21/938326221.db2.gz SHNQDPVSWMCUDU-MRXNPFEDSA-N 2 1 354.454 3.926 20 5 FHBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364669903 939984746 /nfs/dbraw/zinc/98/47/46/939984746.db2.gz FRRWQOWFNBLOLQ-LBPRGKRZSA-N 2 1 368.359 3.505 20 5 FHBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364669903 939984749 /nfs/dbraw/zinc/98/47/49/939984749.db2.gz FRRWQOWFNBLOLQ-LBPRGKRZSA-N 2 1 368.359 3.505 20 5 FHBDMP C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC[NH2+]C1 ZINC000414858879 941488229 /nfs/dbraw/zinc/48/82/29/941488229.db2.gz STMNGVRROZDEOL-CHWSQXEVSA-N 2 1 363.845 3.986 20 5 FHBDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977366 941531190 /nfs/dbraw/zinc/53/11/90/941531190.db2.gz RIZPBLTXOQGJRY-QGZVFWFLSA-N 2 1 363.845 3.986 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415060574 941579213 /nfs/dbraw/zinc/57/92/13/941579213.db2.gz YSJWFXXJSRQBEC-CRAIPNDOSA-N 2 1 355.438 3.819 20 5 FHBDMP C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCn2ccnc2C1 ZINC000377651079 941865750 /nfs/dbraw/zinc/86/57/50/941865750.db2.gz MZNKVOZXMYXZGQ-INIZCTEOSA-N 2 1 373.456 3.837 20 5 FHBDMP C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377651079 941865751 /nfs/dbraw/zinc/86/57/51/941865751.db2.gz MZNKVOZXMYXZGQ-INIZCTEOSA-N 2 1 373.456 3.837 20 5 FHBDMP C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377651079 941865752 /nfs/dbraw/zinc/86/57/52/941865752.db2.gz MZNKVOZXMYXZGQ-INIZCTEOSA-N 2 1 373.456 3.837 20 5 FHBDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501786568 942672609 /nfs/dbraw/zinc/67/26/09/942672609.db2.gz SIFKIESDBYNVCL-QGZVFWFLSA-N 2 1 363.502 3.726 20 5 FHBDMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435374826 943355820 /nfs/dbraw/zinc/35/58/20/943355820.db2.gz YSSOIMIUDABAOA-UHFFFAOYSA-N 2 1 360.483 3.540 20 5 FHBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105442837 943953877 /nfs/dbraw/zinc/95/38/77/943953877.db2.gz UPCFJNLRUQXEFQ-AWEZNQCLSA-N 2 1 354.410 3.786 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)o1 ZINC000414880147 944086681 /nfs/dbraw/zinc/08/66/81/944086681.db2.gz QEQWMJXXZYHJND-UHFFFAOYSA-N 2 1 366.421 3.519 20 5 FHBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184248004 944336672 /nfs/dbraw/zinc/33/66/72/944336672.db2.gz NXHQSEUQDZCBAG-UHFFFAOYSA-N 2 1 367.465 3.686 20 5 FHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184248004 944336690 /nfs/dbraw/zinc/33/66/90/944336690.db2.gz NXHQSEUQDZCBAG-UHFFFAOYSA-N 2 1 367.465 3.686 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414954966 945034402 /nfs/dbraw/zinc/03/44/02/945034402.db2.gz TUHSYECXYFXAME-CZUORRHYSA-N 2 1 359.401 3.756 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237428381 946457925 /nfs/dbraw/zinc/45/79/25/946457925.db2.gz HLRUSRWGSDVJJK-OAHLLOKOSA-N 2 1 373.453 3.685 20 5 FHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000547738958 929163947 /nfs/dbraw/zinc/16/39/47/929163947.db2.gz XAAKEZCNHUKRAG-OAHLLOKOSA-N 2 1 350.422 3.982 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379651935 930497778 /nfs/dbraw/zinc/49/77/78/930497778.db2.gz VKWQTRBZGVPKQK-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379651935 930497780 /nfs/dbraw/zinc/49/77/80/930497780.db2.gz VKWQTRBZGVPKQK-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853493 934939104 /nfs/dbraw/zinc/93/91/04/934939104.db2.gz CXMVGKZTZZCPDC-NHCUHLMSSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853493 934939107 /nfs/dbraw/zinc/93/91/07/934939107.db2.gz CXMVGKZTZZCPDC-NHCUHLMSSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853493 934939109 /nfs/dbraw/zinc/93/91/09/934939109.db2.gz CXMVGKZTZZCPDC-NHCUHLMSSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000380853493 934939113 /nfs/dbraw/zinc/93/91/13/934939113.db2.gz CXMVGKZTZZCPDC-NHCUHLMSSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853495 934939291 /nfs/dbraw/zinc/93/92/91/934939291.db2.gz CXMVGKZTZZCPDC-SFTDATJTSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853495 934939295 /nfs/dbraw/zinc/93/92/95/934939295.db2.gz CXMVGKZTZZCPDC-SFTDATJTSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853495 934939299 /nfs/dbraw/zinc/93/92/99/934939299.db2.gz CXMVGKZTZZCPDC-SFTDATJTSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853495 934939301 /nfs/dbraw/zinc/93/93/01/934939301.db2.gz CXMVGKZTZZCPDC-SFTDATJTSA-N 2 1 365.477 3.857 20 5 FHBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428817 945196233 /nfs/dbraw/zinc/19/62/33/945196233.db2.gz HVHDAZPAAQOLRW-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428817 945196242 /nfs/dbraw/zinc/19/62/42/945196242.db2.gz HVHDAZPAAQOLRW-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414171830 940708196 /nfs/dbraw/zinc/70/81/96/940708196.db2.gz DCUKCNOSQDVCGP-HZPDHXFCSA-N 2 1 351.516 3.787 20 5 FHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 ZINC000376386644 940892132 /nfs/dbraw/zinc/89/21/32/940892132.db2.gz ORYGGVVKTPOLBG-UHFFFAOYSA-N 2 1 370.453 3.558 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414783283 941463276 /nfs/dbraw/zinc/46/32/76/941463276.db2.gz PTPHPWWKOPSAPN-CVEARBPZSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCC[NH2+]C1 ZINC000414858880 941488346 /nfs/dbraw/zinc/48/83/46/941488346.db2.gz STMNGVRROZDEOL-OLZOCXBDSA-N 2 1 363.845 3.986 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415060576 941579005 /nfs/dbraw/zinc/57/90/05/941579005.db2.gz YSJWFXXJSRQBEC-QAPCUYQASA-N 2 1 355.438 3.819 20 5 FHBDMP C[N@@H+](CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000517525032 941930336 /nfs/dbraw/zinc/93/03/36/941930336.db2.gz GWENDOQLOPTKJZ-UHFFFAOYSA-N 2 1 371.428 3.940 20 5 FHBDMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000420319942 942621057 /nfs/dbraw/zinc/62/10/57/942621057.db2.gz PQDDEQBEODPFBH-SFHVURJKSA-N 2 1 357.454 3.556 20 5 FHBDMP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000567399422 946644626 /nfs/dbraw/zinc/64/46/26/946644626.db2.gz BXRISIPMAAOEEK-UHFFFAOYSA-N 2 1 353.466 4.000 20 5 FHBDMP Cc1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000567399422 946644632 /nfs/dbraw/zinc/64/46/32/946644632.db2.gz BXRISIPMAAOEEK-UHFFFAOYSA-N 2 1 353.466 4.000 20 5 FHBDMP [NH3+]C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000435392932 943380334 /nfs/dbraw/zinc/38/03/34/943380334.db2.gz CXSUWVXAXUWHQX-UHFFFAOYSA-N 2 1 361.829 3.964 20 5 FHBDMP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427391 943407448 /nfs/dbraw/zinc/40/74/48/943407448.db2.gz LQWSZFQOWGIAKT-GOSISDBHSA-N 2 1 357.479 3.801 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000414776270 943760523 /nfs/dbraw/zinc/76/05/23/943760523.db2.gz GWMRAQWBEOOJAK-SJORKVTESA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC[NH2+]CC2 ZINC000424387983 943896215 /nfs/dbraw/zinc/89/62/15/943896215.db2.gz YTLZNFMYFZSAPA-AWEZNQCLSA-N 2 1 372.494 3.682 20 5 FHBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475285431 946822415 /nfs/dbraw/zinc/82/24/15/946822415.db2.gz LZXLIFPLZDEULR-SMTIMMHKSA-N 2 1 351.450 3.720 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379648146 930497905 /nfs/dbraw/zinc/49/79/05/930497905.db2.gz MANCJVKVUROFJJ-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000379648146 930497909 /nfs/dbraw/zinc/49/79/09/930497909.db2.gz MANCJVKVUROFJJ-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035079 935001902 /nfs/dbraw/zinc/00/19/02/935001902.db2.gz SFTIDDBPKIMKCD-HXUWFJFHSA-N 2 1 350.422 3.869 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414822126 941478114 /nfs/dbraw/zinc/47/81/14/941478114.db2.gz CFTMJTYWHWVKCV-OAHLLOKOSA-N 2 1 359.401 3.615 20 5 FHBDMP Cc1cccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000549146619 941527095 /nfs/dbraw/zinc/52/70/95/941527095.db2.gz VGQYEZZSACKPGN-UHFFFAOYSA-N 2 1 374.529 3.536 20 5 FHBDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000513487875 941958854 /nfs/dbraw/zinc/95/88/54/941958854.db2.gz LFDVWZSMTDGYEX-FXAWDEMLSA-N 2 1 353.466 3.985 20 5 FHBDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000513487876 941958955 /nfs/dbraw/zinc/95/89/55/941958955.db2.gz LFDVWZSMTDGYEX-PXNSSMCTSA-N 2 1 353.466 3.985 20 5 FHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000417301378 943495020 /nfs/dbraw/zinc/49/50/20/943495020.db2.gz BJQURLCCXYELDK-FQEVSTJZSA-N 2 1 373.497 3.597 20 5 FHBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584790523 943610729 /nfs/dbraw/zinc/61/07/29/943610729.db2.gz QIFKAYXCBJFSNK-FXAWDEMLSA-N 2 1 351.450 3.694 20 5 FHBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000504929543 943926534 /nfs/dbraw/zinc/92/65/34/943926534.db2.gz JNUJFYLEYLNTHE-JKSUJKDBSA-N 2 1 351.516 3.787 20 5 FHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000092821661 944520334 /nfs/dbraw/zinc/52/03/34/944520334.db2.gz HCPRCZDWXOMHCX-UHFFFAOYSA-N 2 1 360.483 3.790 20 5 FHBDMP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367691700 946188325 /nfs/dbraw/zinc/18/83/25/946188325.db2.gz YJWVNYRMDAJJKJ-UHFFFAOYSA-N 2 1 360.845 3.744 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969885 930960234 /nfs/dbraw/zinc/96/02/34/930960234.db2.gz IAYIEQQLHDHCBU-SFHVURJKSA-N 2 1 361.829 3.694 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c(Cl)c1 ZINC000261969885 930960240 /nfs/dbraw/zinc/96/02/40/930960240.db2.gz IAYIEQQLHDHCBU-SFHVURJKSA-N 2 1 361.829 3.694 20 5 FHBDMP Cc1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853494 934938996 /nfs/dbraw/zinc/93/89/96/934938996.db2.gz CXMVGKZTZZCPDC-RTWAWAEBSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853494 934938999 /nfs/dbraw/zinc/93/89/99/934938999.db2.gz CXMVGKZTZZCPDC-RTWAWAEBSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853494 934939003 /nfs/dbraw/zinc/93/90/03/934939003.db2.gz CXMVGKZTZZCPDC-RTWAWAEBSA-N 2 1 365.477 3.857 20 5 FHBDMP Cc1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000380853494 934939006 /nfs/dbraw/zinc/93/90/06/934939006.db2.gz CXMVGKZTZZCPDC-RTWAWAEBSA-N 2 1 365.477 3.857 20 5 FHBDMP CCC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000539072714 935012016 /nfs/dbraw/zinc/01/20/16/935012016.db2.gz QUHOMEWSHPIQPT-QKLQHJQFSA-N 2 1 363.502 3.915 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)o2)cc1 ZINC000414879501 941498619 /nfs/dbraw/zinc/49/86/19/941498619.db2.gz OUQMASWKCVPFGQ-UHFFFAOYSA-N 2 1 366.421 3.519 20 5 FHBDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545344 942005271 /nfs/dbraw/zinc/00/52/71/942005271.db2.gz PTLXUDXMZLZYMO-XLIONFOSSA-N 2 1 353.466 3.985 20 5 FHBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501041034 942270474 /nfs/dbraw/zinc/27/04/74/942270474.db2.gz UUYLHLFSHDCTBZ-MRXNPFEDSA-N 2 1 354.454 3.899 20 5 FHBDMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000420319941 942620697 /nfs/dbraw/zinc/62/06/97/942620697.db2.gz PQDDEQBEODPFBH-GOSISDBHSA-N 2 1 357.454 3.556 20 5 FHBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000504929537 943926343 /nfs/dbraw/zinc/92/63/43/943926343.db2.gz JNUJFYLEYLNTHE-CVEARBPZSA-N 2 1 351.516 3.787 20 5 FHBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000504929541 943926629 /nfs/dbraw/zinc/92/66/29/943926629.db2.gz JNUJFYLEYLNTHE-HZPDHXFCSA-N 2 1 351.516 3.787 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379648147 930497803 /nfs/dbraw/zinc/49/78/03/930497803.db2.gz MANCJVKVUROFJJ-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000379648147 930497806 /nfs/dbraw/zinc/49/78/06/930497806.db2.gz MANCJVKVUROFJJ-YLJYHZDGSA-N 2 1 353.466 3.780 20 5 FHBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428821 945196376 /nfs/dbraw/zinc/19/63/76/945196376.db2.gz HVHDAZPAAQOLRW-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000108428821 945196381 /nfs/dbraw/zinc/19/63/81/945196381.db2.gz HVHDAZPAAQOLRW-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000415057752 941570499 /nfs/dbraw/zinc/57/04/99/941570499.db2.gz URVPNIATTPQHPE-APWZRJJASA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379938 943369801 /nfs/dbraw/zinc/36/98/01/943369801.db2.gz LNKJOWXEWQBFEJ-HIFRSBDPSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379938 943369808 /nfs/dbraw/zinc/36/98/08/943369808.db2.gz LNKJOWXEWQBFEJ-HIFRSBDPSA-N 2 1 359.401 3.695 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000435382167 943371231 /nfs/dbraw/zinc/37/12/31/943371231.db2.gz ZVBWEWOKESYHKK-GOSISDBHSA-N 2 1 372.494 3.682 20 5 FHBDMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655969 944192459 /nfs/dbraw/zinc/19/24/59/944192459.db2.gz LOPRSFIYXUDLQU-NRFANRHFSA-N 2 1 369.465 3.605 20 5 FHBDMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312655969 944192462 /nfs/dbraw/zinc/19/24/62/944192462.db2.gz LOPRSFIYXUDLQU-NRFANRHFSA-N 2 1 369.465 3.605 20 5 FHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000547738957 929163772 /nfs/dbraw/zinc/16/37/72/929163772.db2.gz XAAKEZCNHUKRAG-HNNXBMFYSA-N 2 1 350.422 3.982 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379651933 930497937 /nfs/dbraw/zinc/49/79/37/930497937.db2.gz VKWQTRBZGVPKQK-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379651933 930497938 /nfs/dbraw/zinc/49/79/38/930497938.db2.gz VKWQTRBZGVPKQK-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130930 945110740 /nfs/dbraw/zinc/11/07/40/945110740.db2.gz MKWSKWFAZKZYBE-YVEFUNNKSA-N 2 1 361.829 3.692 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130930 945110742 /nfs/dbraw/zinc/11/07/42/945110742.db2.gz MKWSKWFAZKZYBE-YVEFUNNKSA-N 2 1 361.829 3.692 20 5 FHBDMP Cc1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000516757145 945207856 /nfs/dbraw/zinc/20/78/56/945207856.db2.gz SLVDVGHPAIBIDI-UHFFFAOYSA-N 2 1 354.454 3.816 20 5 FHBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582208732 940654333 /nfs/dbraw/zinc/65/43/33/940654333.db2.gz KEKWDELPCNRQDF-JWTNVVGKSA-N 2 1 355.438 3.912 20 5 FHBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582208732 940654336 /nfs/dbraw/zinc/65/43/36/940654336.db2.gz KEKWDELPCNRQDF-JWTNVVGKSA-N 2 1 355.438 3.912 20 5 FHBDMP C[NH+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582208732 940654339 /nfs/dbraw/zinc/65/43/39/940654339.db2.gz KEKWDELPCNRQDF-JWTNVVGKSA-N 2 1 355.438 3.912 20 5 FHBDMP C[NH+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582208732 940654343 /nfs/dbraw/zinc/65/43/43/940654343.db2.gz KEKWDELPCNRQDF-JWTNVVGKSA-N 2 1 355.438 3.912 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414171833 940708271 /nfs/dbraw/zinc/70/82/71/940708271.db2.gz DCUKCNOSQDVCGP-JKSUJKDBSA-N 2 1 351.516 3.787 20 5 FHBDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666305 941431359 /nfs/dbraw/zinc/43/13/59/941431359.db2.gz WOYWNSAOYQDNSN-DOTOQJQBSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666305 941431361 /nfs/dbraw/zinc/43/13/61/941431361.db2.gz WOYWNSAOYQDNSN-DOTOQJQBSA-N 2 1 354.454 3.532 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414822125 941478191 /nfs/dbraw/zinc/47/81/91/941478191.db2.gz CFTMJTYWHWVKCV-HNNXBMFYSA-N 2 1 359.401 3.615 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000415036620 941553013 /nfs/dbraw/zinc/55/30/13/941553013.db2.gz FPYALCNMILFWHJ-VQIMIIECSA-N 2 1 355.438 3.819 20 5 FHBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377657325 941874324 /nfs/dbraw/zinc/87/43/24/941874324.db2.gz XPLYDNHPVVBPOA-LBPRGKRZSA-N 2 1 368.359 3.505 20 5 FHBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377657325 941874329 /nfs/dbraw/zinc/87/43/29/941874329.db2.gz XPLYDNHPVVBPOA-LBPRGKRZSA-N 2 1 368.359 3.505 20 5 FHBDMP CC[N@H+]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236823759 942669623 /nfs/dbraw/zinc/66/96/23/942669623.db2.gz KGCUDPHYHMIXKX-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236823759 942669629 /nfs/dbraw/zinc/66/96/29/942669629.db2.gz KGCUDPHYHMIXKX-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000236823759 942669633 /nfs/dbraw/zinc/66/96/33/942669633.db2.gz KGCUDPHYHMIXKX-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415730 943851405 /nfs/dbraw/zinc/85/14/05/943851405.db2.gz KEMOHOBQDIJXEB-IUODEOHRSA-N 2 1 370.291 3.519 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000414785729 943882932 /nfs/dbraw/zinc/88/29/32/943882932.db2.gz TVJONBNYVRKNPV-DLBZAZTESA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC[NH2+]CC2 ZINC000424386938 943895488 /nfs/dbraw/zinc/89/54/88/943895488.db2.gz XUKFEVAAPVRRAV-HNNXBMFYSA-N 2 1 355.438 3.819 20 5 FHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000504912464 943908625 /nfs/dbraw/zinc/90/86/25/943908625.db2.gz WQESZZULQNKEAV-HOCLYGCPSA-N 2 1 362.499 3.896 20 5 FHBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478387 944307789 /nfs/dbraw/zinc/30/77/89/944307789.db2.gz GIRFPCVQJXGIHT-MSOLQXFVSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478387 944307794 /nfs/dbraw/zinc/30/77/94/944307794.db2.gz GIRFPCVQJXGIHT-MSOLQXFVSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478387 944307798 /nfs/dbraw/zinc/30/77/98/944307798.db2.gz GIRFPCVQJXGIHT-MSOLQXFVSA-N 2 1 361.486 3.560 20 5 FHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000506478387 944307802 /nfs/dbraw/zinc/30/78/02/944307802.db2.gz GIRFPCVQJXGIHT-MSOLQXFVSA-N 2 1 361.486 3.560 20 5 FHBDMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)nc(C)[nH+]1 ZINC000162269374 936370060 /nfs/dbraw/zinc/37/00/60/936370060.db2.gz SPNQSOJMVOEYQB-OAHLLOKOSA-N 2 1 369.469 3.630 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379651934 930497885 /nfs/dbraw/zinc/49/78/85/930497885.db2.gz VKWQTRBZGVPKQK-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379651934 930497892 /nfs/dbraw/zinc/49/78/92/930497892.db2.gz VKWQTRBZGVPKQK-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258735 934849893 /nfs/dbraw/zinc/84/98/93/934849893.db2.gz QTIJEUAWODPAFM-GOSISDBHSA-N 2 1 350.462 3.862 20 5 FHBDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000277258735 934849897 /nfs/dbraw/zinc/84/98/97/934849897.db2.gz QTIJEUAWODPAFM-GOSISDBHSA-N 2 1 350.462 3.862 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000414785730 941466238 /nfs/dbraw/zinc/46/62/38/941466238.db2.gz TVJONBNYVRKNPV-IAGOWNOFSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379937 943369665 /nfs/dbraw/zinc/36/96/65/943369665.db2.gz LNKJOWXEWQBFEJ-DZGCQCFKSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379937 943369671 /nfs/dbraw/zinc/36/96/71/943369671.db2.gz LNKJOWXEWQBFEJ-DZGCQCFKSA-N 2 1 359.401 3.695 20 5 FHBDMP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427392 943407328 /nfs/dbraw/zinc/40/73/28/943407328.db2.gz LQWSZFQOWGIAKT-SFHVURJKSA-N 2 1 357.479 3.801 20 5 FHBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC[NH2+]CC2 ZINC000424374653 943884418 /nfs/dbraw/zinc/88/44/18/943884418.db2.gz IPHYSAUDKLRGIZ-HNNXBMFYSA-N 2 1 355.438 3.819 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)s2)cc1 ZINC000261993127 944642358 /nfs/dbraw/zinc/64/23/58/944642358.db2.gz KNSCKWQNKXRWII-UHFFFAOYSA-N 2 1 357.479 3.899 20 5 FHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537966843 932179673 /nfs/dbraw/zinc/17/96/73/932179673.db2.gz HNHZIMXYFAVVMR-HNNXBMFYSA-N 2 1 366.421 3.819 20 5 FHBDMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000048562748 945274279 /nfs/dbraw/zinc/27/42/79/945274279.db2.gz KJHKVRCIOLNXPG-UHFFFAOYSA-N 2 1 361.486 3.691 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414783287 941463476 /nfs/dbraw/zinc/46/34/76/941463476.db2.gz PTPHPWWKOPSAPN-HOTGVXAUSA-N 2 1 355.438 3.676 20 5 FHBDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000513487877 941958681 /nfs/dbraw/zinc/95/86/81/941958681.db2.gz LFDVWZSMTDGYEX-XLIONFOSSA-N 2 1 353.466 3.985 20 5 FHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501074394 942296468 /nfs/dbraw/zinc/29/64/68/942296468.db2.gz HOKNMVXOUUTEPE-MRXNPFEDSA-N 2 1 354.454 3.899 20 5 FHBDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000514189154 942814224 /nfs/dbraw/zinc/81/42/24/942814224.db2.gz FBTLKFIMLZIYQI-UHFFFAOYSA-N 2 1 374.529 3.536 20 5 FHBDMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425408307 943606599 /nfs/dbraw/zinc/60/65/99/943606599.db2.gz RRHBKTZMSDBVOI-UHFFFAOYSA-N 2 1 370.291 3.521 20 5 FHBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC[NH2+]CC2 ZINC000424377602 943886900 /nfs/dbraw/zinc/88/69/00/943886900.db2.gz MJDUXDUTTZBTRU-HNNXBMFYSA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414944930 944970442 /nfs/dbraw/zinc/97/04/42/944970442.db2.gz QRXRLHQPWRUIMW-SUMWQHHRSA-N 2 1 359.401 3.614 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951296 945014221 /nfs/dbraw/zinc/01/42/21/945014221.db2.gz POJUYLVUEZJMPL-RDJZCZTQSA-N 2 1 354.454 3.593 20 5 FHBDMP CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372101 930178170 /nfs/dbraw/zinc/17/81/70/930178170.db2.gz KARWVPYHUIGFEH-OAQYLSRUSA-N 2 1 367.493 3.981 20 5 FHBDMP CC[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372101 930178178 /nfs/dbraw/zinc/17/81/78/930178178.db2.gz KARWVPYHUIGFEH-OAQYLSRUSA-N 2 1 367.493 3.981 20 5 FHBDMP CC[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372101 930178179 /nfs/dbraw/zinc/17/81/79/930178179.db2.gz KARWVPYHUIGFEH-OAQYLSRUSA-N 2 1 367.493 3.981 20 5 FHBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951294 941524770 /nfs/dbraw/zinc/52/47/70/941524770.db2.gz POJUYLVUEZJMPL-NVXWUHKLSA-N 2 1 354.454 3.593 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415060575 941578866 /nfs/dbraw/zinc/57/88/66/941578866.db2.gz YSJWFXXJSRQBEC-MAUKXSAKSA-N 2 1 355.438 3.819 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415060577 941579322 /nfs/dbraw/zinc/57/93/22/941579322.db2.gz YSJWFXXJSRQBEC-YJBOKZPZSA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545343 942005239 /nfs/dbraw/zinc/00/52/39/942005239.db2.gz PTLXUDXMZLZYMO-PXNSSMCTSA-N 2 1 353.466 3.985 20 5 FHBDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114276 942926590 /nfs/dbraw/zinc/92/65/90/942926590.db2.gz CASZZYYLDLPXPG-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114276 942926596 /nfs/dbraw/zinc/92/65/96/942926596.db2.gz CASZZYYLDLPXPG-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114276 942926599 /nfs/dbraw/zinc/92/65/99/942926599.db2.gz CASZZYYLDLPXPG-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)C1 ZINC000430114276 942926605 /nfs/dbraw/zinc/92/66/05/942926605.db2.gz CASZZYYLDLPXPG-IBGZPJMESA-N 2 1 357.479 3.851 20 5 FHBDMP C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC[NH2+]C1 ZINC000414858881 943046811 /nfs/dbraw/zinc/04/68/11/943046811.db2.gz STMNGVRROZDEOL-QWHCGFSZSA-N 2 1 363.845 3.986 20 5 FHBDMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000435059021 943130996 /nfs/dbraw/zinc/13/09/96/943130996.db2.gz HBZHMLPTOFLPNR-UHFFFAOYSA-N 2 1 354.454 3.816 20 5 FHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379939 943369318 /nfs/dbraw/zinc/36/93/18/943369318.db2.gz LNKJOWXEWQBFEJ-UKRRQHHQSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435379939 943369325 /nfs/dbraw/zinc/36/93/25/943369325.db2.gz LNKJOWXEWQBFEJ-UKRRQHHQSA-N 2 1 359.401 3.695 20 5 FHBDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389970 943377527 /nfs/dbraw/zinc/37/75/27/943377527.db2.gz NQSFRDLLAGWZAQ-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389970 943377532 /nfs/dbraw/zinc/37/75/32/943377532.db2.gz NQSFRDLLAGWZAQ-CYBMUJFWSA-N 2 1 363.845 3.940 20 5 FHBDMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333803 929509667 /nfs/dbraw/zinc/50/96/67/929509667.db2.gz KCLXVJUSCIGDQE-PKOBYXMFSA-N 2 1 353.466 3.810 20 5 FHBDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333803 929509685 /nfs/dbraw/zinc/50/96/85/929509685.db2.gz KCLXVJUSCIGDQE-PKOBYXMFSA-N 2 1 353.466 3.810 20 5 FHBDMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000128154169 938520397 /nfs/dbraw/zinc/52/03/97/938520397.db2.gz UHIUUIHUAITGST-MRXNPFEDSA-N 2 1 354.454 3.926 20 5 FHBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179139872 938979030 /nfs/dbraw/zinc/97/90/30/938979030.db2.gz VLGPPWZQBHMVCW-SUMDDJOVSA-N 2 1 356.470 3.737 20 5 FHBDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545345 942005383 /nfs/dbraw/zinc/00/53/83/942005383.db2.gz PTLXUDXMZLZYMO-YLJYHZDGSA-N 2 1 353.466 3.985 20 5 FHBDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116361 942928515 /nfs/dbraw/zinc/92/85/15/942928515.db2.gz HIXUJUXKOIYELJ-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116361 942928524 /nfs/dbraw/zinc/92/85/24/942928524.db2.gz HIXUJUXKOIYELJ-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)C1 ZINC000430116361 942928530 /nfs/dbraw/zinc/92/85/30/942928530.db2.gz HIXUJUXKOIYELJ-LJQANCHMSA-N 2 1 357.479 3.851 20 5 FHBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC[NH2+]CC2 ZINC000424374654 943884306 /nfs/dbraw/zinc/88/43/06/943884306.db2.gz IPHYSAUDKLRGIZ-OAHLLOKOSA-N 2 1 355.438 3.819 20 5 FHBDMP CC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414946146 944982172 /nfs/dbraw/zinc/98/21/72/944982172.db2.gz SULRALXIFSBOMY-UHFFFAOYSA-N 2 1 359.401 3.758 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551690 946321988 /nfs/dbraw/zinc/32/19/88/946321988.db2.gz XCMKSRSKIPEPTE-HNNXBMFYSA-N 2 1 373.453 3.683 20 5 FHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000549551690 946321999 /nfs/dbraw/zinc/32/19/99/946321999.db2.gz XCMKSRSKIPEPTE-HNNXBMFYSA-N 2 1 373.453 3.683 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379651932 930497698 /nfs/dbraw/zinc/49/76/98/930497698.db2.gz VKWQTRBZGVPKQK-FXAWDEMLSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379651932 930497700 /nfs/dbraw/zinc/49/77/00/930497700.db2.gz VKWQTRBZGVPKQK-FXAWDEMLSA-N 2 1 353.466 3.780 20 5 FHBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000581218305 931693441 /nfs/dbraw/zinc/69/34/41/931693441.db2.gz MVESXXGKWKSEAP-XYPWUTKMSA-N 2 1 355.438 3.912 20 5 FHBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000581218305 931693447 /nfs/dbraw/zinc/69/34/47/931693447.db2.gz MVESXXGKWKSEAP-XYPWUTKMSA-N 2 1 355.438 3.912 20 5 FHBDMP C[NH+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000581218305 931693455 /nfs/dbraw/zinc/69/34/55/931693455.db2.gz MVESXXGKWKSEAP-XYPWUTKMSA-N 2 1 355.438 3.912 20 5 FHBDMP C[NH+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000581218305 931693458 /nfs/dbraw/zinc/69/34/58/931693458.db2.gz MVESXXGKWKSEAP-XYPWUTKMSA-N 2 1 355.438 3.912 20 5 FHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000394053998 932323377 /nfs/dbraw/zinc/32/33/77/932323377.db2.gz ZBTKSTOJQHCHSA-HXUWFJFHSA-N 2 1 353.466 3.987 20 5 FHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000394053998 932323384 /nfs/dbraw/zinc/32/33/84/932323384.db2.gz ZBTKSTOJQHCHSA-HXUWFJFHSA-N 2 1 353.466 3.987 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000090910158 932603615 /nfs/dbraw/zinc/60/36/15/932603615.db2.gz XXCNKTONXUBEGE-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000090910158 932603617 /nfs/dbraw/zinc/60/36/17/932603617.db2.gz XXCNKTONXUBEGE-PXNSSMCTSA-N 2 1 353.466 3.780 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130928 945111258 /nfs/dbraw/zinc/11/12/58/945111258.db2.gz MKWSKWFAZKZYBE-SJCJKPOMSA-N 2 1 361.829 3.692 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c(Cl)c1 ZINC000427130928 945111266 /nfs/dbraw/zinc/11/12/66/945111266.db2.gz MKWSKWFAZKZYBE-SJCJKPOMSA-N 2 1 361.829 3.692 20 5 FHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666318 941431499 /nfs/dbraw/zinc/43/14/99/941431499.db2.gz WOYWNSAOYQDNSN-WBVHZDCISA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666318 941431500 /nfs/dbraw/zinc/43/15/00/941431500.db2.gz WOYWNSAOYQDNSN-WBVHZDCISA-N 2 1 354.454 3.532 20 5 FHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414943900 941523555 /nfs/dbraw/zinc/52/35/55/941523555.db2.gz ONKZRGGWXZARHJ-UHFFFAOYSA-N 2 1 354.454 3.594 20 5 FHBDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501786567 942672426 /nfs/dbraw/zinc/67/24/26/942672426.db2.gz SIFKIESDBYNVCL-KRWDZBQOSA-N 2 1 363.502 3.726 20 5 FHBDMP O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000389114158 568213789 /nfs/dbraw/zinc/21/37/89/568213789.db2.gz LUJYJCLWKOYFSR-PMACEKPBSA-N 2 1 351.450 3.549 20 5 FHBDMP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000389114158 568213790 /nfs/dbraw/zinc/21/37/90/568213790.db2.gz LUJYJCLWKOYFSR-PMACEKPBSA-N 2 1 351.450 3.549 20 5 FHBDMP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000389114158 568213791 /nfs/dbraw/zinc/21/37/91/568213791.db2.gz LUJYJCLWKOYFSR-PMACEKPBSA-N 2 1 351.450 3.549 20 5 FHBDMP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000389114158 568213792 /nfs/dbraw/zinc/21/37/92/568213792.db2.gz LUJYJCLWKOYFSR-PMACEKPBSA-N 2 1 351.450 3.549 20 5 FHBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000179139848 938978998 /nfs/dbraw/zinc/97/89/98/938978998.db2.gz VLGPPWZQBHMVCW-SZVBFZGTSA-N 2 1 356.470 3.737 20 5 FHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414766993 941462493 /nfs/dbraw/zinc/46/24/93/941462493.db2.gz IZOLNJXWHDUSJK-GASCZTMLSA-N 2 1 357.479 3.755 20 5 FHBDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545342 942005410 /nfs/dbraw/zinc/00/54/10/942005410.db2.gz PTLXUDXMZLZYMO-FXAWDEMLSA-N 2 1 353.466 3.985 20 5 FHBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423085690 943388810 /nfs/dbraw/zinc/38/88/10/943388810.db2.gz KHYJHCVSFRKRJS-BZUAXINKSA-N 2 1 357.376 3.624 20 5 FHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523702278 947528452 /nfs/dbraw/zinc/52/84/52/947528452.db2.gz NYQMLXJSSSFWNP-UHFFFAOYSA-N 2 1 367.493 3.981 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889141 221095534 /nfs/dbraw/zinc/09/55/34/221095534.db2.gz CDWYVLLDMWZMPK-UHFFFAOYSA-N 2 1 361.486 3.691 20 5 FHBDMP CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372100 930178769 /nfs/dbraw/zinc/17/87/69/930178769.db2.gz KARWVPYHUIGFEH-NRFANRHFSA-N 2 1 367.493 3.981 20 5 FHBDMP CC[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372100 930178771 /nfs/dbraw/zinc/17/87/71/930178771.db2.gz KARWVPYHUIGFEH-NRFANRHFSA-N 2 1 367.493 3.981 20 5 FHBDMP CC[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372100 930178775 /nfs/dbraw/zinc/17/87/75/930178775.db2.gz KARWVPYHUIGFEH-NRFANRHFSA-N 2 1 367.493 3.981 20 5 FHBDMP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)nc2c1 ZINC000610581048 933322155 /nfs/dbraw/zinc/32/21/55/933322155.db2.gz CWIXUUOKEGHZBY-UHFFFAOYSA-N 2 1 372.469 3.824 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702555 934879828 /nfs/dbraw/zinc/87/98/28/934879828.db2.gz HBHLHMRYSQRFSH-SJLPKXTDSA-N 2 1 369.465 3.604 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380702555 934879834 /nfs/dbraw/zinc/87/98/34/934879834.db2.gz HBHLHMRYSQRFSH-SJLPKXTDSA-N 2 1 369.465 3.604 20 5 FHBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414954968 941525809 /nfs/dbraw/zinc/52/58/09/941525809.db2.gz TUHSYECXYFXAME-XJKSGUPXSA-N 2 1 359.401 3.756 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000415057759 941570664 /nfs/dbraw/zinc/57/06/64/941570664.db2.gz URVPNIATTPQHPE-VQIMIIECSA-N 2 1 355.438 3.819 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278901588 948046136 /nfs/dbraw/zinc/04/61/36/948046136.db2.gz FVTFIPDHWJBYOU-LSDHHAIUSA-N 2 1 360.483 3.514 20 5 FHBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584720139 568576603 /nfs/dbraw/zinc/57/66/03/568576603.db2.gz USLZOGGQEQAHFB-FQEVSTJZSA-N 2 1 365.477 3.924 20 5 FHBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584720139 568576605 /nfs/dbraw/zinc/57/66/05/568576605.db2.gz USLZOGGQEQAHFB-FQEVSTJZSA-N 2 1 365.477 3.924 20 5 FHBDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)nc(C)[nH+]1 ZINC000162269282 936369880 /nfs/dbraw/zinc/36/98/80/936369880.db2.gz SPNQSOJMVOEYQB-HNNXBMFYSA-N 2 1 369.469 3.630 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170125 937281392 /nfs/dbraw/zinc/28/13/92/937281392.db2.gz UPEHRAHVRLIMRY-LNLFQRSKSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248170125 937281394 /nfs/dbraw/zinc/28/13/94/937281394.db2.gz UPEHRAHVRLIMRY-LNLFQRSKSA-N 2 1 363.502 3.691 20 5 FHBDMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333935 929510027 /nfs/dbraw/zinc/51/00/27/929510027.db2.gz KCLXVJUSCIGDQE-IEBWSBKVSA-N 2 1 353.466 3.810 20 5 FHBDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000165333935 929510033 /nfs/dbraw/zinc/51/00/33/929510033.db2.gz KCLXVJUSCIGDQE-IEBWSBKVSA-N 2 1 353.466 3.810 20 5 FHBDMP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000090909800 932625441 /nfs/dbraw/zinc/62/54/41/932625441.db2.gz HFNGKZOZWBKHMD-UHFFFAOYSA-N 2 1 371.456 3.573 20 5 FHBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806324 934412865 /nfs/dbraw/zinc/41/28/65/934412865.db2.gz QQLHUSWLNNSLRM-CRAIPNDOSA-N 2 1 355.438 3.771 20 5 FHBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806324 934412867 /nfs/dbraw/zinc/41/28/67/934412867.db2.gz QQLHUSWLNNSLRM-CRAIPNDOSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806324 934412870 /nfs/dbraw/zinc/41/28/70/934412870.db2.gz QQLHUSWLNNSLRM-CRAIPNDOSA-N 2 1 355.438 3.771 20 5 FHBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000535806324 934412876 /nfs/dbraw/zinc/41/28/76/934412876.db2.gz QQLHUSWLNNSLRM-CRAIPNDOSA-N 2 1 355.438 3.771 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702550 934879508 /nfs/dbraw/zinc/87/95/08/934879508.db2.gz HBHLHMRYSQRFSH-AEFFLSMTSA-N 2 1 369.465 3.604 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380702550 934879514 /nfs/dbraw/zinc/87/95/14/934879514.db2.gz HBHLHMRYSQRFSH-AEFFLSMTSA-N 2 1 369.465 3.604 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130927 945110671 /nfs/dbraw/zinc/11/06/71/945110671.db2.gz MKWSKWFAZKZYBE-PXAZEXFGSA-N 2 1 361.829 3.692 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c(Cl)c1 ZINC000427130927 945110673 /nfs/dbraw/zinc/11/06/73/945110673.db2.gz MKWSKWFAZKZYBE-PXAZEXFGSA-N 2 1 361.829 3.692 20 5 FHBDMP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000708540178 938815940 /nfs/dbraw/zinc/81/59/40/938815940.db2.gz SWEYEAQMSPPPKI-OXJNMPFZSA-N 2 1 353.466 3.761 20 5 FHBDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424112 939018560 /nfs/dbraw/zinc/01/85/60/939018560.db2.gz MSFZDCFLCSNSCH-HNNXBMFYSA-N 2 1 373.453 3.685 20 5 FHBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102424112 939018561 /nfs/dbraw/zinc/01/85/61/939018561.db2.gz MSFZDCFLCSNSCH-HNNXBMFYSA-N 2 1 373.453 3.685 20 5 FHBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656395 941428790 /nfs/dbraw/zinc/42/87/90/941428790.db2.gz FOVKQOFRIBGDDV-DOTOQJQBSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414656395 941428792 /nfs/dbraw/zinc/42/87/92/941428792.db2.gz FOVKQOFRIBGDDV-DOTOQJQBSA-N 2 1 354.454 3.532 20 5 FHBDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977363 941531237 /nfs/dbraw/zinc/53/12/37/941531237.db2.gz RIZPBLTXOQGJRY-KRWDZBQOSA-N 2 1 363.845 3.986 20 5 FHBDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000513487878 941958827 /nfs/dbraw/zinc/95/88/27/941958827.db2.gz LFDVWZSMTDGYEX-YLJYHZDGSA-N 2 1 353.466 3.985 20 5 FHBDMP Cc1c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000501072100 942295359 /nfs/dbraw/zinc/29/53/59/942295359.db2.gz YVOWDBAGBCJIEF-UHFFFAOYSA-N 2 1 354.454 3.647 20 5 FHBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584790524 943610809 /nfs/dbraw/zinc/61/08/09/943610809.db2.gz QIFKAYXCBJFSNK-PXNSSMCTSA-N 2 1 351.450 3.694 20 5 FHBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC[NH2+]CC2 ZINC000424386942 943895595 /nfs/dbraw/zinc/89/55/95/943895595.db2.gz XUKFEVAAPVRRAV-OAHLLOKOSA-N 2 1 355.438 3.819 20 5 FHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000504912463 943908615 /nfs/dbraw/zinc/90/86/15/943908615.db2.gz WQESZZULQNKEAV-GOEBONIOSA-N 2 1 362.499 3.896 20 5 FHBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)o2)c1 ZINC000414881469 944200309 /nfs/dbraw/zinc/20/03/09/944200309.db2.gz RJQAATVSDMSODC-UHFFFAOYSA-N 2 1 366.421 3.519 20 5 FHBDMP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000541955072 568280591 /nfs/dbraw/zinc/28/05/91/568280591.db2.gz UYXAPFAPKZEANA-AWEZNQCLSA-N 2 1 366.421 3.948 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702553 934879703 /nfs/dbraw/zinc/87/97/03/934879703.db2.gz HBHLHMRYSQRFSH-FUHWJXTLSA-N 2 1 369.465 3.604 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380702553 934879706 /nfs/dbraw/zinc/87/97/06/934879706.db2.gz HBHLHMRYSQRFSH-FUHWJXTLSA-N 2 1 369.465 3.604 20 5 FHBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035073 935001890 /nfs/dbraw/zinc/00/18/90/935001890.db2.gz SFTIDDBPKIMKCD-FQEVSTJZSA-N 2 1 350.422 3.869 20 5 FHBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428707 945207499 /nfs/dbraw/zinc/20/74/99/945207499.db2.gz IBDCOFDZXWUZGN-MRXNPFEDSA-N 2 1 373.428 3.958 20 5 FHBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000108428707 945207505 /nfs/dbraw/zinc/20/75/05/945207505.db2.gz IBDCOFDZXWUZGN-MRXNPFEDSA-N 2 1 373.428 3.958 20 5 FHBDMP C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180459798 941023283 /nfs/dbraw/zinc/02/32/83/941023283.db2.gz NRAFIZHQYHPBDE-HUUCEWRRSA-N 2 1 372.425 3.895 20 5 FHBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000414659552 941429283 /nfs/dbraw/zinc/42/92/83/941429283.db2.gz SXQCLGZWQAIJIF-CQSZACIVSA-N 2 1 361.829 3.821 20 5 FHBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@H]12 ZINC000414675499 941433641 /nfs/dbraw/zinc/43/36/41/941433641.db2.gz TXSQTWOMSHIKSG-XNJJOIOASA-N 2 1 361.829 3.677 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000415036617 941552500 /nfs/dbraw/zinc/55/25/00/941552500.db2.gz FPYALCNMILFWHJ-APWZRJJASA-N 2 1 355.438 3.819 20 5 FHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373478 943355324 /nfs/dbraw/zinc/35/53/24/943355324.db2.gz DRZGMXWPKYFLDA-HIFRSBDPSA-N 2 1 359.401 3.695 20 5 FHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435373478 943355329 /nfs/dbraw/zinc/35/53/29/943355329.db2.gz DRZGMXWPKYFLDA-HIFRSBDPSA-N 2 1 359.401 3.695 20 5 FHBDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389971 943377382 /nfs/dbraw/zinc/37/73/82/943377382.db2.gz NQSFRDLLAGWZAQ-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435389971 943377387 /nfs/dbraw/zinc/37/73/87/943377387.db2.gz NQSFRDLLAGWZAQ-ZDUSSCGKSA-N 2 1 363.845 3.940 20 5 FHBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415732 943851069 /nfs/dbraw/zinc/85/10/69/943851069.db2.gz KEMOHOBQDIJXEB-SWLSCSKDSA-N 2 1 370.291 3.519 20 5 FHBDMP CC[NH+](CC)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000506911518 944736916 /nfs/dbraw/zinc/73/69/16/944736916.db2.gz RMCVTDLDWWNKFN-UHFFFAOYSA-N 2 1 371.428 3.750 20 5 FHBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCC[NH+]1C ZINC000072758969 944740813 /nfs/dbraw/zinc/74/08/13/944740813.db2.gz FBWXPGZUILUDIB-QGZVFWFLSA-N 2 1 372.469 3.599 20 5 FHBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCC[NH+]1C ZINC000072758969 944740820 /nfs/dbraw/zinc/74/08/20/944740820.db2.gz FBWXPGZUILUDIB-QGZVFWFLSA-N 2 1 372.469 3.599 20 5 FHBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCC[N@@H+]1C ZINC000072758969 944740824 /nfs/dbraw/zinc/74/08/24/944740824.db2.gz FBWXPGZUILUDIB-QGZVFWFLSA-N 2 1 372.469 3.599 20 5 FHBDMP C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCC[N@H+]1C ZINC000072758969 944740827 /nfs/dbraw/zinc/74/08/27/944740827.db2.gz FBWXPGZUILUDIB-QGZVFWFLSA-N 2 1 372.469 3.599 20 5 FHBDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770365 947212247 /nfs/dbraw/zinc/21/22/47/947212247.db2.gz ZMSBTYLWSLCXTO-HNNXBMFYSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770365 947212254 /nfs/dbraw/zinc/21/22/54/947212254.db2.gz ZMSBTYLWSLCXTO-HNNXBMFYSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770365 947212263 /nfs/dbraw/zinc/21/22/63/947212263.db2.gz ZMSBTYLWSLCXTO-HNNXBMFYSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770365 947212269 /nfs/dbraw/zinc/21/22/69/947212269.db2.gz ZMSBTYLWSLCXTO-HNNXBMFYSA-N 2 1 373.453 3.637 20 5 FHBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093770365 947212276 /nfs/dbraw/zinc/21/22/76/947212276.db2.gz ZMSBTYLWSLCXTO-HNNXBMFYSA-N 2 1 373.453 3.637 20 5 FHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)s2)cc1 ZINC000581517918 932195458 /nfs/dbraw/zinc/19/54/58/932195458.db2.gz CWMHRIJLWKCBMD-ZDUSSCGKSA-N 2 1 354.435 3.694 20 5 FHBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415729 943851303 /nfs/dbraw/zinc/85/13/03/943851303.db2.gz KEMOHOBQDIJXEB-DOMZBBRYSA-N 2 1 370.291 3.519 20 5 FHBDMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC[NH2+]CC2 ZINC000424387984 943896269 /nfs/dbraw/zinc/89/62/69/943896269.db2.gz YTLZNFMYFZSAPA-CQSZACIVSA-N 2 1 372.494 3.682 20 5 FHBDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012195 937174217 /nfs/dbraw/zinc/17/42/17/937174217.db2.gz LIVYFSNAYIQICZ-WDYCEAGBSA-N 2 1 363.502 3.691 20 5 FHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000248012195 937174218 /nfs/dbraw/zinc/17/42/18/937174218.db2.gz LIVYFSNAYIQICZ-WDYCEAGBSA-N 2 1 363.502 3.691 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000090910157 932603019 /nfs/dbraw/zinc/60/30/19/932603019.db2.gz XXCNKTONXUBEGE-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000090910157 932603026 /nfs/dbraw/zinc/60/30/26/932603026.db2.gz XXCNKTONXUBEGE-XLIONFOSSA-N 2 1 353.466 3.780 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380702556 934879778 /nfs/dbraw/zinc/87/97/78/934879778.db2.gz HBHLHMRYSQRFSH-WMZOPIPTSA-N 2 1 369.465 3.604 20 5 FHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380702556 934879780 /nfs/dbraw/zinc/87/97/80/934879780.db2.gz HBHLHMRYSQRFSH-WMZOPIPTSA-N 2 1 369.465 3.604 20 5 FHBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000160455306 936069903 /nfs/dbraw/zinc/06/99/03/936069903.db2.gz DXKWPXLEKFUEHM-KRWDZBQOSA-N 2 1 369.465 3.586 20 5 FHBDMP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000708540182 938815968 /nfs/dbraw/zinc/81/59/68/938815968.db2.gz SWEYEAQMSPPPKI-UZLBHIALSA-N 2 1 353.466 3.761 20 5 FHBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377657324 941874454 /nfs/dbraw/zinc/87/44/54/941874454.db2.gz XPLYDNHPVVBPOA-GFCCVEGCSA-N 2 1 368.359 3.505 20 5 FHBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377657324 941874459 /nfs/dbraw/zinc/87/44/59/941874459.db2.gz XPLYDNHPVVBPOA-GFCCVEGCSA-N 2 1 368.359 3.505 20 5 FHBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000414659550 943128931 /nfs/dbraw/zinc/12/89/31/943128931.db2.gz SXQCLGZWQAIJIF-AWEZNQCLSA-N 2 1 361.829 3.821 20 5 FHBDMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016863 943365755 /nfs/dbraw/zinc/36/57/55/943365755.db2.gz NMECIBXSDWMTBJ-GZRFBZBPSA-N 2 1 353.422 3.501 20 5 FHBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584790525 943610978 /nfs/dbraw/zinc/61/09/78/943610978.db2.gz QIFKAYXCBJFSNK-XLIONFOSSA-N 2 1 351.450 3.694 20 5 FHBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105442839 943953919 /nfs/dbraw/zinc/95/39/19/943953919.db2.gz UPCFJNLRUQXEFQ-CQSZACIVSA-N 2 1 354.410 3.786 20 5 FHBDMP C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000569014929 568268588 /nfs/dbraw/zinc/26/85/88/568268588.db2.gz YCEWBYNKHHXBAX-UHFFFAOYSA-N 2 1 369.465 3.644 20 5 FHBDMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000569014929 568268589 /nfs/dbraw/zinc/26/85/89/568268589.db2.gz YCEWBYNKHHXBAX-UHFFFAOYSA-N 2 1 369.465 3.644 20 5 FHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364694657 939983297 /nfs/dbraw/zinc/98/32/97/939983297.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 2 1 368.481 3.984 20 5 FHBDMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000414811258 941472632 /nfs/dbraw/zinc/47/26/32/941472632.db2.gz PNNJOQBPEMLULE-NSHDSACASA-N 2 1 351.353 3.506 20 5 FHBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414951298 941524965 /nfs/dbraw/zinc/52/49/65/941524965.db2.gz POJUYLVUEZJMPL-WBVHZDCISA-N 2 1 354.454 3.593 20 5 FHBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414954961 941525739 /nfs/dbraw/zinc/52/57/39/941525739.db2.gz TUHSYECXYFXAME-BBRMVZONSA-N 2 1 359.401 3.756 20 5 FHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666308 943158999 /nfs/dbraw/zinc/15/89/99/943158999.db2.gz WOYWNSAOYQDNSN-NVXWUHKLSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414666308 943159004 /nfs/dbraw/zinc/15/90/04/943159004.db2.gz WOYWNSAOYQDNSN-NVXWUHKLSA-N 2 1 354.454 3.532 20 5 FHBDMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423016864 943365792 /nfs/dbraw/zinc/36/57/92/943365792.db2.gz NMECIBXSDWMTBJ-JNAXZKDPSA-N 2 1 353.422 3.501 20 5 FHBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC[NH2+]CC2 ZINC000424377606 943886842 /nfs/dbraw/zinc/88/68/42/943886842.db2.gz MJDUXDUTTZBTRU-OAHLLOKOSA-N 2 1 355.438 3.819 20 5 FHBDMP