smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654503 930497953 /nfs/dbraw/zinc/49/79/53/930497953.db2.gz IRFPXDDDBBKQJM-VQIMIIECSA-N 2 2 369.465 3.746 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654503 930497956 /nfs/dbraw/zinc/49/79/56/930497956.db2.gz IRFPXDDDBBKQJM-VQIMIIECSA-N 2 2 369.465 3.746 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000510524853 933181064 /nfs/dbraw/zinc/18/10/64/933181064.db2.gz REWWAZFDEWJZBH-HNNXBMFYSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000510524853 933181066 /nfs/dbraw/zinc/18/10/66/933181066.db2.gz REWWAZFDEWJZBH-HNNXBMFYSA-N 2 2 352.394 3.958 20 5 FHBDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000080338498 938249094 /nfs/dbraw/zinc/24/90/94/938249094.db2.gz CZJYIETVOVNXKF-LPHOPBHVSA-N 2 2 369.465 3.746 20 5 FHBDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000080338498 938249096 /nfs/dbraw/zinc/24/90/96/938249096.db2.gz CZJYIETVOVNXKF-LPHOPBHVSA-N 2 2 369.465 3.746 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072453 940310731 /nfs/dbraw/zinc/31/07/31/940310731.db2.gz LHNQWTNZUQYISD-CQSZACIVSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072453 940310734 /nfs/dbraw/zinc/31/07/34/940310734.db2.gz LHNQWTNZUQYISD-CQSZACIVSA-N 2 2 352.394 3.958 20 5 FHBDLP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414889149 941502054 /nfs/dbraw/zinc/50/20/54/941502054.db2.gz KWHJNQQUHSZJRU-OAHLLOKOSA-N 2 2 361.829 3.867 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794223 941997136 /nfs/dbraw/zinc/99/71/36/941997136.db2.gz XWTAXXFNZONUCY-RDTXWAMCSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794223 941997138 /nfs/dbraw/zinc/99/71/38/941997138.db2.gz XWTAXXFNZONUCY-RDTXWAMCSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319726 942351760 /nfs/dbraw/zinc/35/17/60/942351760.db2.gz KECVIKJVBSEGNY-QGZVFWFLSA-N 2 2 354.454 3.816 20 5 FHBDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319726 942351763 /nfs/dbraw/zinc/35/17/63/942351763.db2.gz KECVIKJVBSEGNY-QGZVFWFLSA-N 2 2 354.454 3.816 20 5 FHBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000422559116 943181572 /nfs/dbraw/zinc/18/15/72/943181572.db2.gz CBLPOUQVHMAGET-IPYPFGDCSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000422559116 943181579 /nfs/dbraw/zinc/18/15/79/943181579.db2.gz CBLPOUQVHMAGET-IPYPFGDCSA-N 2 2 360.483 3.524 20 5 FHBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000417320943 943514271 /nfs/dbraw/zinc/51/42/71/943514271.db2.gz KSPLVKGXPXORLR-LJQANCHMSA-N 2 2 354.454 3.727 20 5 FHBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125451010 946063121 /nfs/dbraw/zinc/06/31/21/946063121.db2.gz GALFQDZTGWUDKH-GOSISDBHSA-N 2 2 368.481 3.746 20 5 FHBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125451010 946063130 /nfs/dbraw/zinc/06/31/30/946063130.db2.gz GALFQDZTGWUDKH-GOSISDBHSA-N 2 2 368.481 3.746 20 5 FHBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237446739 946713698 /nfs/dbraw/zinc/71/36/98/946713698.db2.gz IGOZRCCKBZNCMO-GFCCVEGCSA-N 2 2 351.834 3.938 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278863763 947738597 /nfs/dbraw/zinc/73/85/97/947738597.db2.gz LKYQSUJQOUFXSV-UHFFFAOYSA-N 2 2 370.453 3.516 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095161 940468277 /nfs/dbraw/zinc/46/82/77/940468277.db2.gz QWLJLZDONMSOLU-HRAATJIYSA-N 2 2 351.450 3.758 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095161 940468278 /nfs/dbraw/zinc/46/82/78/940468278.db2.gz QWLJLZDONMSOLU-HRAATJIYSA-N 2 2 351.450 3.758 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405638 943165750 /nfs/dbraw/zinc/16/57/50/943165750.db2.gz KCICCFXNCYESOC-INIZCTEOSA-N 2 2 370.453 3.516 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405638 943165756 /nfs/dbraw/zinc/16/57/56/943165756.db2.gz KCICCFXNCYESOC-INIZCTEOSA-N 2 2 370.453 3.516 20 5 FHBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632455 930627770 /nfs/dbraw/zinc/62/77/70/930627770.db2.gz CYIHYMOLWAQVCT-LJQANCHMSA-N 2 2 359.401 3.697 20 5 FHBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632455 930627775 /nfs/dbraw/zinc/62/77/75/930627775.db2.gz CYIHYMOLWAQVCT-LJQANCHMSA-N 2 2 359.401 3.697 20 5 FHBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000126265101 931686493 /nfs/dbraw/zinc/68/64/93/931686493.db2.gz DDPGXNHZDZPQFH-ORYQWCPZSA-N 2 2 368.481 3.941 20 5 FHBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000126265101 931686494 /nfs/dbraw/zinc/68/64/94/931686494.db2.gz DDPGXNHZDZPQFH-ORYQWCPZSA-N 2 2 368.481 3.941 20 5 FHBDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931546 936302743 /nfs/dbraw/zinc/30/27/43/936302743.db2.gz YIPHLEAVGAHIED-MRXNPFEDSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931546 936302748 /nfs/dbraw/zinc/30/27/48/936302748.db2.gz YIPHLEAVGAHIED-MRXNPFEDSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931546 936302752 /nfs/dbraw/zinc/30/27/52/936302752.db2.gz YIPHLEAVGAHIED-MRXNPFEDSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931546 936302754 /nfs/dbraw/zinc/30/27/54/936302754.db2.gz YIPHLEAVGAHIED-MRXNPFEDSA-N 2 2 359.495 3.919 20 5 FHBDLP COc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000102420454 939018599 /nfs/dbraw/zinc/01/85/99/939018599.db2.gz QBPZILPOYGARAG-UHFFFAOYSA-N 2 2 371.437 3.580 20 5 FHBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414889145 941501938 /nfs/dbraw/zinc/50/19/38/941501938.db2.gz KWHJNQQUHSZJRU-HNNXBMFYSA-N 2 2 361.829 3.867 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794220 941997275 /nfs/dbraw/zinc/99/72/75/941997275.db2.gz XWTAXXFNZONUCY-KBXCAEBGSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794220 941997277 /nfs/dbraw/zinc/99/72/77/941997277.db2.gz XWTAXXFNZONUCY-KBXCAEBGSA-N 2 2 374.510 3.668 20 5 FHBDLP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660871 943138441 /nfs/dbraw/zinc/13/84/41/943138441.db2.gz ORDJCCRZUIDIRE-MAUKXSAKSA-N 2 2 354.454 3.532 20 5 FHBDLP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660871 943138448 /nfs/dbraw/zinc/13/84/48/943138448.db2.gz ORDJCCRZUIDIRE-MAUKXSAKSA-N 2 2 354.454 3.532 20 5 FHBDLP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000435377942 943367564 /nfs/dbraw/zinc/36/75/64/943367564.db2.gz BKHUALDOLLNPCA-UHFFFAOYSA-N 2 2 359.401 3.710 20 5 FHBDLP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000435377942 943367570 /nfs/dbraw/zinc/36/75/70/943367570.db2.gz BKHUALDOLLNPCA-UHFFFAOYSA-N 2 2 359.401 3.710 20 5 FHBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383526 943371002 /nfs/dbraw/zinc/37/10/02/943371002.db2.gz HQQFLNIUDOHFRK-AWEZNQCLSA-N 2 2 361.829 3.821 20 5 FHBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383526 943371010 /nfs/dbraw/zinc/37/10/10/943371010.db2.gz HQQFLNIUDOHFRK-AWEZNQCLSA-N 2 2 361.829 3.821 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336233 946902823 /nfs/dbraw/zinc/90/28/23/946902823.db2.gz UCSJJSDZQDZMEZ-YHWHNIOJSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336233 946902830 /nfs/dbraw/zinc/90/28/30/946902830.db2.gz UCSJJSDZQDZMEZ-YHWHNIOJSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336233 946902838 /nfs/dbraw/zinc/90/28/38/946902838.db2.gz UCSJJSDZQDZMEZ-YHWHNIOJSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336233 946902843 /nfs/dbraw/zinc/90/28/43/946902843.db2.gz UCSJJSDZQDZMEZ-YHWHNIOJSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278865642 947854999 /nfs/dbraw/zinc/85/49/99/947854999.db2.gz LQQOSQZOKXPKDG-UHFFFAOYSA-N 2 2 358.417 3.646 20 5 FHBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984953 568446701 /nfs/dbraw/zinc/44/67/01/568446701.db2.gz FDWHGNWXWCJIIU-CJNGLKHVSA-N 2 2 359.401 3.838 20 5 FHBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984953 568446702 /nfs/dbraw/zinc/44/67/02/568446702.db2.gz FDWHGNWXWCJIIU-CJNGLKHVSA-N 2 2 359.401 3.838 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010743 929937399 /nfs/dbraw/zinc/93/73/99/929937399.db2.gz ZLMXMRYKPIIJSA-NVXWUHKLSA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010743 929937407 /nfs/dbraw/zinc/93/74/07/929937407.db2.gz ZLMXMRYKPIIJSA-NVXWUHKLSA-N 2 2 354.454 3.987 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654502 930497683 /nfs/dbraw/zinc/49/76/83/930497683.db2.gz IRFPXDDDBBKQJM-QFBILLFUSA-N 2 2 369.465 3.746 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654502 930497687 /nfs/dbraw/zinc/49/76/87/930497687.db2.gz IRFPXDDDBBKQJM-QFBILLFUSA-N 2 2 369.465 3.746 20 5 FHBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711595 935544370 /nfs/dbraw/zinc/54/43/70/935544370.db2.gz JIBHNNDYKMFFCG-YJBOKZPZSA-N 2 2 357.429 3.734 20 5 FHBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381711595 935544374 /nfs/dbraw/zinc/54/43/74/935544374.db2.gz JIBHNNDYKMFFCG-YJBOKZPZSA-N 2 2 357.429 3.734 20 5 FHBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000177805137 940446761 /nfs/dbraw/zinc/44/67/61/940446761.db2.gz OCUGIWKJHZDZKF-HXUWFJFHSA-N 2 2 362.433 3.891 20 5 FHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095175 940468286 /nfs/dbraw/zinc/46/82/86/940468286.db2.gz QWLJLZDONMSOLU-IERDGZPVSA-N 2 2 351.450 3.758 20 5 FHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095175 940468287 /nfs/dbraw/zinc/46/82/87/940468287.db2.gz QWLJLZDONMSOLU-IERDGZPVSA-N 2 2 351.450 3.758 20 5 FHBDLP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913665 941299247 /nfs/dbraw/zinc/29/92/47/941299247.db2.gz GYOQBAZTEJJUSJ-HNNXBMFYSA-N 2 2 352.394 3.510 20 5 FHBDLP C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369031 943363393 /nfs/dbraw/zinc/36/33/93/943363393.db2.gz CNPFVFSSNYQWHJ-SUMWQHHRSA-N 2 2 359.401 3.695 20 5 FHBDLP C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369031 943363397 /nfs/dbraw/zinc/36/33/97/943363397.db2.gz CNPFVFSSNYQWHJ-SUMWQHHRSA-N 2 2 359.401 3.695 20 5 FHBDLP C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369029 943363603 /nfs/dbraw/zinc/36/36/03/943363603.db2.gz CNPFVFSSNYQWHJ-GUYCJALGSA-N 2 2 359.401 3.695 20 5 FHBDLP C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369029 943363612 /nfs/dbraw/zinc/36/36/12/943363612.db2.gz CNPFVFSSNYQWHJ-GUYCJALGSA-N 2 2 359.401 3.695 20 5 FHBDLP COc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424434 946454134 /nfs/dbraw/zinc/45/41/34/946454134.db2.gz AEAYOBNYVNSURJ-UHFFFAOYSA-N 2 2 373.453 3.826 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960678 937124503 /nfs/dbraw/zinc/12/45/03/937124503.db2.gz GFAJFIZROSMVJJ-SYNHAJSKSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960678 937124505 /nfs/dbraw/zinc/12/45/05/937124505.db2.gz GFAJFIZROSMVJJ-SYNHAJSKSA-N 2 2 368.481 3.859 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000430203836 928002463 /nfs/dbraw/zinc/00/24/63/928002463.db2.gz JJGUYZPJHUEQEO-UZLBHIALSA-N 2 2 369.465 3.604 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000430203836 928002470 /nfs/dbraw/zinc/00/24/70/928002470.db2.gz JJGUYZPJHUEQEO-UZLBHIALSA-N 2 2 369.465 3.604 20 5 FHBDLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198687 941873486 /nfs/dbraw/zinc/87/34/86/941873486.db2.gz QEUZSHBBGPBTQI-CQSZACIVSA-N 2 2 360.845 3.886 20 5 FHBDLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198687 941873494 /nfs/dbraw/zinc/87/34/94/941873494.db2.gz QEUZSHBBGPBTQI-CQSZACIVSA-N 2 2 360.845 3.886 20 5 FHBDLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319725 942351817 /nfs/dbraw/zinc/35/18/17/942351817.db2.gz KECVIKJVBSEGNY-KRWDZBQOSA-N 2 2 354.454 3.816 20 5 FHBDLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000502319725 942351821 /nfs/dbraw/zinc/35/18/21/942351821.db2.gz KECVIKJVBSEGNY-KRWDZBQOSA-N 2 2 354.454 3.816 20 5 FHBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000422559117 943181887 /nfs/dbraw/zinc/18/18/87/943181887.db2.gz CBLPOUQVHMAGET-NFAWXSAZSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000422559117 943181892 /nfs/dbraw/zinc/18/18/92/943181892.db2.gz CBLPOUQVHMAGET-NFAWXSAZSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369027 943363493 /nfs/dbraw/zinc/36/34/93/943363493.db2.gz CNPFVFSSNYQWHJ-DYVFJYSZSA-N 2 2 359.401 3.695 20 5 FHBDLP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000435369027 943363502 /nfs/dbraw/zinc/36/35/02/943363502.db2.gz CNPFVFSSNYQWHJ-DYVFJYSZSA-N 2 2 359.401 3.695 20 5 FHBDLP O=c1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c2c(ccc3ccccc32)o1 ZINC000365386158 568600362 /nfs/dbraw/zinc/60/03/62/568600362.db2.gz AVQKIJNMPPHSSC-MRXNPFEDSA-N 2 2 359.429 3.810 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178729552 936326932 /nfs/dbraw/zinc/32/69/32/936326932.db2.gz BHUOFDKBWHGZJY-AWEZNQCLSA-N 2 2 366.421 3.948 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072452 940316348 /nfs/dbraw/zinc/31/63/48/940316348.db2.gz LHNQWTNZUQYISD-AWEZNQCLSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072452 940316354 /nfs/dbraw/zinc/31/63/54/940316354.db2.gz LHNQWTNZUQYISD-AWEZNQCLSA-N 2 2 352.394 3.958 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912473 941299371 /nfs/dbraw/zinc/29/93/71/941299371.db2.gz SUIWSZQKICJBRF-AWEZNQCLSA-N 2 2 352.394 3.640 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494347 942827142 /nfs/dbraw/zinc/82/71/42/942827142.db2.gz KXJUKPAXOZSNRW-SFHLNBCPSA-N 2 2 351.450 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494347 942827148 /nfs/dbraw/zinc/82/71/48/942827148.db2.gz KXJUKPAXOZSNRW-SFHLNBCPSA-N 2 2 351.450 3.901 20 5 FHBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000422559118 943181542 /nfs/dbraw/zinc/18/15/42/943181542.db2.gz CBLPOUQVHMAGET-UMVBOHGHSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000422559118 943181545 /nfs/dbraw/zinc/18/15/45/943181545.db2.gz CBLPOUQVHMAGET-UMVBOHGHSA-N 2 2 360.483 3.524 20 5 FHBDLP CCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435369586 943363438 /nfs/dbraw/zinc/36/34/38/943363438.db2.gz FITGEIAWLSBHNY-UHFFFAOYSA-N 2 2 360.483 3.682 20 5 FHBDLP CCC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435369586 943363441 /nfs/dbraw/zinc/36/34/41/943363441.db2.gz FITGEIAWLSBHNY-UHFFFAOYSA-N 2 2 360.483 3.682 20 5 FHBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182088632 948632906 /nfs/dbraw/zinc/63/29/06/948632906.db2.gz SUMLCFRDLJJIJS-MRXNPFEDSA-N 2 2 356.470 3.906 20 5 FHBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182088632 948632915 /nfs/dbraw/zinc/63/29/15/948632915.db2.gz SUMLCFRDLJJIJS-MRXNPFEDSA-N 2 2 356.470 3.906 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010744 929937598 /nfs/dbraw/zinc/93/75/98/929937598.db2.gz ZLMXMRYKPIIJSA-RDJZCZTQSA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010744 929937607 /nfs/dbraw/zinc/93/76/07/929937607.db2.gz ZLMXMRYKPIIJSA-RDJZCZTQSA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000177934270 931633736 /nfs/dbraw/zinc/63/37/36/931633736.db2.gz OBLJUWDEKKJTNU-INIZCTEOSA-N 2 2 350.422 3.999 20 5 FHBDLP C[C@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660874 941429819 /nfs/dbraw/zinc/42/98/19/941429819.db2.gz ORDJCCRZUIDIRE-YJBOKZPZSA-N 2 2 354.454 3.532 20 5 FHBDLP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660874 941429824 /nfs/dbraw/zinc/42/98/24/941429824.db2.gz ORDJCCRZUIDIRE-YJBOKZPZSA-N 2 2 354.454 3.532 20 5 FHBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414793072 941468753 /nfs/dbraw/zinc/46/87/53/941468753.db2.gz CZMQGMLLSPJPMX-HNNXBMFYSA-N 2 2 361.829 3.867 20 5 FHBDLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000236795186 941960296 /nfs/dbraw/zinc/96/02/96/941960296.db2.gz BXSBJSPPMGCHAB-UHFFFAOYSA-N 2 2 373.453 3.827 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794222 941996970 /nfs/dbraw/zinc/99/69/70/941996970.db2.gz XWTAXXFNZONUCY-KSSFIOAISA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H](C)C2)s1 ZINC000377794222 941996972 /nfs/dbraw/zinc/99/69/72/941996972.db2.gz XWTAXXFNZONUCY-KSSFIOAISA-N 2 2 374.510 3.668 20 5 FHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378438399 942773439 /nfs/dbraw/zinc/77/34/39/942773439.db2.gz ZFVVLYOBMRSYTM-KRWDZBQOSA-N 2 2 368.481 3.690 20 5 FHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378438399 942773440 /nfs/dbraw/zinc/77/34/40/942773440.db2.gz ZFVVLYOBMRSYTM-KRWDZBQOSA-N 2 2 368.481 3.690 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494348 942826951 /nfs/dbraw/zinc/82/69/51/942826951.db2.gz KXJUKPAXOZSNRW-SVFBPWRDSA-N 2 2 351.450 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494348 942826955 /nfs/dbraw/zinc/82/69/55/942826955.db2.gz KXJUKPAXOZSNRW-SVFBPWRDSA-N 2 2 351.450 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494339 942827232 /nfs/dbraw/zinc/82/72/32/942827232.db2.gz KXJUKPAXOZSNRW-IRFCIJBXSA-N 2 2 351.450 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000378494339 942827235 /nfs/dbraw/zinc/82/72/35/942827235.db2.gz KXJUKPAXOZSNRW-IRFCIJBXSA-N 2 2 351.450 3.901 20 5 FHBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126391110 943339702 /nfs/dbraw/zinc/33/97/02/943339702.db2.gz BYOSAHJTOSDCCI-AWEZNQCLSA-N 2 2 351.410 3.643 20 5 FHBDLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086545 943388902 /nfs/dbraw/zinc/38/89/02/943388902.db2.gz MAQZFNVYTRQYSO-HZPDHXFCSA-N 2 2 351.328 3.848 20 5 FHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234308 943442770 /nfs/dbraw/zinc/44/27/70/943442770.db2.gz FOCNFGNTAONNRR-GUDVDZBRSA-N 2 2 371.485 3.688 20 5 FHBDLP O=c1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c2c(ccc3ccccc32)o1 ZINC000365386155 568600289 /nfs/dbraw/zinc/60/02/89/568600289.db2.gz AVQKIJNMPPHSSC-INIZCTEOSA-N 2 2 359.429 3.810 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000430233340 928358031 /nfs/dbraw/zinc/35/80/31/928358031.db2.gz PXUAALYPJGTKPX-UHFFFAOYSA-N 2 2 370.453 3.516 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971857 929560373 /nfs/dbraw/zinc/56/03/73/929560373.db2.gz DCZLWNWPSJPBMX-IFXJQAMLSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971857 929560388 /nfs/dbraw/zinc/56/03/88/929560388.db2.gz DCZLWNWPSJPBMX-IFXJQAMLSA-N 2 2 374.510 3.668 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000581517917 932195847 /nfs/dbraw/zinc/19/58/47/932195847.db2.gz CWMHRIJLWKCBMD-CYBMUJFWSA-N 2 2 354.435 3.694 20 5 FHBDLP CC(C)[NH2+]C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000108367818 935342137 /nfs/dbraw/zinc/34/21/37/935342137.db2.gz XBZUNRLDPPDLRR-UHFFFAOYSA-N 2 2 350.462 3.909 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055778 941575788 /nfs/dbraw/zinc/57/57/88/941575788.db2.gz RJZSCDLREDRFHX-MAUKXSAKSA-N 2 2 372.494 3.682 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055778 941575790 /nfs/dbraw/zinc/57/57/90/941575790.db2.gz RJZSCDLREDRFHX-MAUKXSAKSA-N 2 2 372.494 3.682 20 5 FHBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415733 943851610 /nfs/dbraw/zinc/85/16/10/943851610.db2.gz KEMOHOBQDIJXEB-WFASDCNBSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415733 943851618 /nfs/dbraw/zinc/85/16/18/943851618.db2.gz KEMOHOBQDIJXEB-WFASDCNBSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415733 943851625 /nfs/dbraw/zinc/85/16/25/943851625.db2.gz KEMOHOBQDIJXEB-WFASDCNBSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415733 943851632 /nfs/dbraw/zinc/85/16/32/943851632.db2.gz KEMOHOBQDIJXEB-WFASDCNBSA-N 2 2 370.291 3.519 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)cc1 ZINC000475561216 946663591 /nfs/dbraw/zinc/66/35/91/946663591.db2.gz LFQYESRSDINDAP-UHFFFAOYSA-N 2 2 355.438 3.961 20 5 FHBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136801 937256458 /nfs/dbraw/zinc/25/64/58/937256458.db2.gz PDFXHRYZPTYBKT-GQIGUUNPSA-N 2 2 354.454 3.551 20 5 FHBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136801 937256459 /nfs/dbraw/zinc/25/64/59/937256459.db2.gz PDFXHRYZPTYBKT-GQIGUUNPSA-N 2 2 354.454 3.551 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000510534513 933194642 /nfs/dbraw/zinc/19/46/42/933194642.db2.gz QPSMSYDDKFCADQ-OAHLLOKOSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000510534513 933194644 /nfs/dbraw/zinc/19/46/44/933194644.db2.gz QPSMSYDDKFCADQ-OAHLLOKOSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2c1 ZINC000561753901 934046360 /nfs/dbraw/zinc/04/63/60/934046360.db2.gz QOJQRBNCDYANAD-UHFFFAOYSA-N 2 2 367.434 3.656 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794221 941997069 /nfs/dbraw/zinc/99/70/69/941997069.db2.gz XWTAXXFNZONUCY-KDOFPFPSSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)[C@H](C)C2)s1 ZINC000377794221 941997073 /nfs/dbraw/zinc/99/70/73/941997073.db2.gz XWTAXXFNZONUCY-KDOFPFPSSA-N 2 2 374.510 3.668 20 5 FHBDLP CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435374114 943356829 /nfs/dbraw/zinc/35/68/29/943356829.db2.gz WIKPSJIYGZUSLC-MRXNPFEDSA-N 2 2 360.483 3.682 20 5 FHBDLP CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435374114 943356837 /nfs/dbraw/zinc/35/68/37/943356837.db2.gz WIKPSJIYGZUSLC-MRXNPFEDSA-N 2 2 360.483 3.682 20 5 FHBDLP O=[N+]([O-])c1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423287 943403362 /nfs/dbraw/zinc/40/33/62/943403362.db2.gz SKERGMAAUUMGRR-OAHLLOKOSA-N 2 2 363.508 3.862 20 5 FHBDLP O=[N+]([O-])c1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423287 943403366 /nfs/dbraw/zinc/40/33/66/943403366.db2.gz SKERGMAAUUMGRR-OAHLLOKOSA-N 2 2 363.508 3.862 20 5 FHBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000614740432 946390473 /nfs/dbraw/zinc/39/04/73/946390473.db2.gz BMBYZNAZJSNELJ-OAHLLOKOSA-N 2 2 360.845 3.771 20 5 FHBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000614740432 946390483 /nfs/dbraw/zinc/39/04/83/946390483.db2.gz BMBYZNAZJSNELJ-OAHLLOKOSA-N 2 2 360.845 3.771 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cs2)c1 ZINC000264982280 567963003 /nfs/dbraw/zinc/96/30/03/567963003.db2.gz UUBAIFFWACBEGC-UHFFFAOYSA-N 2 2 372.494 3.825 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216721 931621056 /nfs/dbraw/zinc/62/10/56/931621056.db2.gz GFAJFIZROSMVJJ-KNBMTAEXSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216721 931621062 /nfs/dbraw/zinc/62/10/62/931621062.db2.gz GFAJFIZROSMVJJ-KNBMTAEXSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1cnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078665694 936232070 /nfs/dbraw/zinc/23/20/70/936232070.db2.gz ZLQGTCUINQUCQL-UHFFFAOYSA-N 2 2 369.469 3.820 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694656 939982430 /nfs/dbraw/zinc/98/24/30/939982430.db2.gz HSXJNVNIMYPJIC-MDKPJZGXSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694656 939982432 /nfs/dbraw/zinc/98/24/32/939982432.db2.gz HSXJNVNIMYPJIC-MDKPJZGXSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364694656 939982434 /nfs/dbraw/zinc/98/24/34/939982434.db2.gz HSXJNVNIMYPJIC-MDKPJZGXSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364694656 939982436 /nfs/dbraw/zinc/98/24/36/939982436.db2.gz HSXJNVNIMYPJIC-MDKPJZGXSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198622 941873337 /nfs/dbraw/zinc/87/33/37/941873337.db2.gz QEUZSHBBGPBTQI-AWEZNQCLSA-N 2 2 360.845 3.886 20 5 FHBDLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198622 941873357 /nfs/dbraw/zinc/87/33/57/941873357.db2.gz QEUZSHBBGPBTQI-AWEZNQCLSA-N 2 2 360.845 3.886 20 5 FHBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000126390848 943339625 /nfs/dbraw/zinc/33/96/25/943339625.db2.gz BYOSAHJTOSDCCI-CQSZACIVSA-N 2 2 351.410 3.643 20 5 FHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234309 943442959 /nfs/dbraw/zinc/44/29/59/943442959.db2.gz FOCNFGNTAONNRR-QRVBRYPASA-N 2 2 371.485 3.688 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178729543 936326834 /nfs/dbraw/zinc/32/68/34/936326834.db2.gz BHUOFDKBWHGZJY-CQSZACIVSA-N 2 2 366.421 3.948 20 5 FHBDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942585 937114058 /nfs/dbraw/zinc/11/40/58/937114058.db2.gz DDPGXNHZDZPQFH-CZAAIQMYSA-N 2 2 368.481 3.941 20 5 FHBDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942585 937114068 /nfs/dbraw/zinc/11/40/68/937114068.db2.gz DDPGXNHZDZPQFH-CZAAIQMYSA-N 2 2 368.481 3.941 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203833 928002754 /nfs/dbraw/zinc/00/27/54/928002754.db2.gz JJGUYZPJHUEQEO-JXFKEZNVSA-N 2 2 369.465 3.604 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203833 928002766 /nfs/dbraw/zinc/00/27/66/928002766.db2.gz JJGUYZPJHUEQEO-JXFKEZNVSA-N 2 2 369.465 3.604 20 5 FHBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632454 930627411 /nfs/dbraw/zinc/62/74/11/930627411.db2.gz CYIHYMOLWAQVCT-IBGZPJMESA-N 2 2 359.401 3.697 20 5 FHBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000261632454 930627414 /nfs/dbraw/zinc/62/74/14/930627414.db2.gz CYIHYMOLWAQVCT-IBGZPJMESA-N 2 2 359.401 3.697 20 5 FHBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510796594 933736514 /nfs/dbraw/zinc/73/65/14/933736514.db2.gz MUDXQNDDMVDOGE-UHFFFAOYSA-N 2 2 352.385 3.544 20 5 FHBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510796594 933736518 /nfs/dbraw/zinc/73/65/18/933736518.db2.gz MUDXQNDDMVDOGE-UHFFFAOYSA-N 2 2 352.385 3.544 20 5 FHBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821866 942539365 /nfs/dbraw/zinc/53/93/65/942539365.db2.gz RPCFQZLKDIRJQP-NEWSRXKRSA-N 2 2 368.481 3.978 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394701 943380344 /nfs/dbraw/zinc/38/03/44/943380344.db2.gz OTYDAOPLHBODKZ-LZVBJTEYSA-N 2 2 366.465 3.647 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394701 943380347 /nfs/dbraw/zinc/38/03/47/943380347.db2.gz OTYDAOPLHBODKZ-LZVBJTEYSA-N 2 2 366.465 3.647 20 5 FHBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086544 943389054 /nfs/dbraw/zinc/38/90/54/943389054.db2.gz MAQZFNVYTRQYSO-HOTGVXAUSA-N 2 2 351.328 3.848 20 5 FHBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000504893562 943891093 /nfs/dbraw/zinc/89/10/93/943891093.db2.gz GJMWTHZAYQRKSC-OAHLLOKOSA-N 2 2 374.510 3.831 20 5 FHBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474082 944300993 /nfs/dbraw/zinc/30/09/93/944300993.db2.gz LAXOAUKUYWJTCY-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474082 944301002 /nfs/dbraw/zinc/30/10/02/944301002.db2.gz LAXOAUKUYWJTCY-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474082 944301009 /nfs/dbraw/zinc/30/10/09/944301009.db2.gz LAXOAUKUYWJTCY-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474082 944301016 /nfs/dbraw/zinc/30/10/16/944301016.db2.gz LAXOAUKUYWJTCY-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182088652 948634443 /nfs/dbraw/zinc/63/44/43/948634443.db2.gz SUMLCFRDLJJIJS-INIZCTEOSA-N 2 2 356.470 3.906 20 5 FHBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182088652 948634446 /nfs/dbraw/zinc/63/44/46/948634446.db2.gz SUMLCFRDLJJIJS-INIZCTEOSA-N 2 2 356.470 3.906 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000430200151 927938954 /nfs/dbraw/zinc/93/89/54/927938954.db2.gz FYNICRDEXOWHNV-AWEZNQCLSA-N 2 2 366.421 3.948 20 5 FHBDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000177934257 931633388 /nfs/dbraw/zinc/63/33/88/931633388.db2.gz OBLJUWDEKKJTNU-MRXNPFEDSA-N 2 2 350.422 3.999 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000510524854 933181103 /nfs/dbraw/zinc/18/11/03/933181103.db2.gz REWWAZFDEWJZBH-OAHLLOKOSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000510524854 933181105 /nfs/dbraw/zinc/18/11/05/933181105.db2.gz REWWAZFDEWJZBH-OAHLLOKOSA-N 2 2 352.394 3.958 20 5 FHBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711594 935544593 /nfs/dbraw/zinc/54/45/93/935544593.db2.gz JIBHNNDYKMFFCG-QAPCUYQASA-N 2 2 357.429 3.734 20 5 FHBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381711594 935544594 /nfs/dbraw/zinc/54/45/94/935544594.db2.gz JIBHNNDYKMFFCG-QAPCUYQASA-N 2 2 357.429 3.734 20 5 FHBDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000611717355 936032326 /nfs/dbraw/zinc/03/23/26/936032326.db2.gz XRSWEMGWGNLASN-NRFANRHFSA-N 2 2 364.449 3.982 20 5 FHBDLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720469 941655600 /nfs/dbraw/zinc/65/56/00/941655600.db2.gz OBYPQNCRXZXHRG-QGZVFWFLSA-N 2 2 369.465 3.586 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394696 943380218 /nfs/dbraw/zinc/38/02/18/943380218.db2.gz OTYDAOPLHBODKZ-CPSHHHPTSA-N 2 2 366.465 3.647 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394696 943380224 /nfs/dbraw/zinc/38/02/24/943380224.db2.gz OTYDAOPLHBODKZ-CPSHHHPTSA-N 2 2 366.465 3.647 20 5 FHBDLP Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000092656239 944175269 /nfs/dbraw/zinc/17/52/69/944175269.db2.gz YEHCWJRMTCGSGX-UHFFFAOYSA-N 2 2 369.469 3.820 20 5 FHBDLP Cc1c([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000152106777 948743606 /nfs/dbraw/zinc/74/36/06/948743606.db2.gz ZCULWMWICFUXHQ-INIZCTEOSA-N 2 2 350.422 3.999 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654499 930497977 /nfs/dbraw/zinc/49/79/77/930497977.db2.gz IRFPXDDDBBKQJM-APWZRJJASA-N 2 2 369.465 3.746 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654499 930497979 /nfs/dbraw/zinc/49/79/79/930497979.db2.gz IRFPXDDDBBKQJM-APWZRJJASA-N 2 2 369.465 3.746 20 5 FHBDLP Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650595 941425258 /nfs/dbraw/zinc/42/52/58/941425258.db2.gz DKDRKSCEXOUANZ-INIZCTEOSA-N 2 2 357.479 3.835 20 5 FHBDLP Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650595 941425264 /nfs/dbraw/zinc/42/52/64/941425264.db2.gz DKDRKSCEXOUANZ-INIZCTEOSA-N 2 2 357.479 3.835 20 5 FHBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000414793076 941468705 /nfs/dbraw/zinc/46/87/05/941468705.db2.gz CZMQGMLLSPJPMX-OAHLLOKOSA-N 2 2 361.829 3.867 20 5 FHBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474868 944289213 /nfs/dbraw/zinc/28/92/13/944289213.db2.gz QFVABSOISYKOPI-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474868 944289220 /nfs/dbraw/zinc/28/92/20/944289220.db2.gz QFVABSOISYKOPI-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474868 944289225 /nfs/dbraw/zinc/28/92/25/944289225.db2.gz QFVABSOISYKOPI-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474868 944289234 /nfs/dbraw/zinc/28/92/34/944289234.db2.gz QFVABSOISYKOPI-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP CCc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380642 946867992 /nfs/dbraw/zinc/86/79/92/946867992.db2.gz QYQOUIWOJHVYPJ-FQEVSTJZSA-N 2 2 355.438 3.691 20 5 FHBDLP CCc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380642 946868003 /nfs/dbraw/zinc/86/80/03/946868003.db2.gz QYQOUIWOJHVYPJ-FQEVSTJZSA-N 2 2 355.438 3.691 20 5 FHBDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242791 568518226 /nfs/dbraw/zinc/51/82/26/568518226.db2.gz LTZQKETXFDPKBW-CQSZACIVSA-N 2 2 363.483 3.552 20 5 FHBDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242791 568518227 /nfs/dbraw/zinc/51/82/27/568518227.db2.gz LTZQKETXFDPKBW-CQSZACIVSA-N 2 2 363.483 3.552 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960676 937124518 /nfs/dbraw/zinc/12/45/18/937124518.db2.gz GFAJFIZROSMVJJ-OXFYSEKESA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247960676 937124521 /nfs/dbraw/zinc/12/45/21/937124521.db2.gz GFAJFIZROSMVJJ-OXFYSEKESA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000119314626 931208202 /nfs/dbraw/zinc/20/82/02/931208202.db2.gz MEZCQEXYLASNJO-UHFFFAOYSA-N 2 2 353.466 4.000 20 5 FHBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000119314626 931208207 /nfs/dbraw/zinc/20/82/07/931208207.db2.gz MEZCQEXYLASNJO-UHFFFAOYSA-N 2 2 353.466 4.000 20 5 FHBDLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178659195 936105378 /nfs/dbraw/zinc/10/53/78/936105378.db2.gz AKUVGXSGIWWDIK-INIZCTEOSA-N 2 2 368.481 3.980 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@@H](C)C2)s1 ZINC000364900090 940019140 /nfs/dbraw/zinc/01/91/40/940019140.db2.gz YHRKLDIWRIRFRA-UGSOOPFHSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)[C@@H](C)C2)s1 ZINC000364900090 940019145 /nfs/dbraw/zinc/01/91/45/940019145.db2.gz YHRKLDIWRIRFRA-UGSOOPFHSA-N 2 2 374.510 3.668 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435057977 943130260 /nfs/dbraw/zinc/13/02/60/943130260.db2.gz RDJDPTAOMNFNIH-LJQANCHMSA-N 2 2 365.389 3.903 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)cc1 ZINC000435057977 943130265 /nfs/dbraw/zinc/13/02/65/943130265.db2.gz RDJDPTAOMNFNIH-LJQANCHMSA-N 2 2 365.389 3.903 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394697 943379764 /nfs/dbraw/zinc/37/97/64/943379764.db2.gz OTYDAOPLHBODKZ-IEJURRBGSA-N 2 2 366.465 3.647 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435394697 943379770 /nfs/dbraw/zinc/37/97/70/943379770.db2.gz OTYDAOPLHBODKZ-IEJURRBGSA-N 2 2 366.465 3.647 20 5 FHBDLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088496 943389281 /nfs/dbraw/zinc/38/92/81/943389281.db2.gz QHXRLURRPDOJCC-SJCJKPOMSA-N 2 2 367.371 3.662 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435439535 943417143 /nfs/dbraw/zinc/41/71/43/943417143.db2.gz SYGWFWNMTHLFGE-KRWDZBQOSA-N 2 2 372.494 3.504 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435439535 943417146 /nfs/dbraw/zinc/41/71/46/943417146.db2.gz SYGWFWNMTHLFGE-KRWDZBQOSA-N 2 2 372.494 3.504 20 5 FHBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474870 944288807 /nfs/dbraw/zinc/28/88/07/944288807.db2.gz QFVABSOISYKOPI-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474870 944288810 /nfs/dbraw/zinc/28/88/10/944288810.db2.gz QFVABSOISYKOPI-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474870 944288817 /nfs/dbraw/zinc/28/88/17/944288817.db2.gz QFVABSOISYKOPI-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474870 944288823 /nfs/dbraw/zinc/28/88/23/944288823.db2.gz QFVABSOISYKOPI-ROUUACIJSA-N 2 2 361.486 3.560 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181916931 568196033 /nfs/dbraw/zinc/19/60/33/568196033.db2.gz QTCXVTBMRXIPKH-CQSZACIVSA-N 2 2 352.394 3.640 20 5 FHBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000569411076 568401173 /nfs/dbraw/zinc/40/11/73/568401173.db2.gz UXDBPCGLOAPQDT-HNNXBMFYSA-N 2 2 351.410 3.668 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654501 930497823 /nfs/dbraw/zinc/49/78/23/930497823.db2.gz IRFPXDDDBBKQJM-LPHOPBHVSA-N 2 2 369.465 3.746 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654501 930497825 /nfs/dbraw/zinc/49/78/25/930497825.db2.gz IRFPXDDDBBKQJM-LPHOPBHVSA-N 2 2 369.465 3.746 20 5 FHBDLP C[N@H+](CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000517525032 941930337 /nfs/dbraw/zinc/93/03/37/941930337.db2.gz GWENDOQLOPTKJZ-UHFFFAOYSA-N 2 2 371.428 3.940 20 5 FHBDLP C[N@@H+](CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000517525032 941930338 /nfs/dbraw/zinc/93/03/38/941930338.db2.gz GWENDOQLOPTKJZ-UHFFFAOYSA-N 2 2 371.428 3.940 20 5 FHBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474083 944300686 /nfs/dbraw/zinc/30/06/86/944300686.db2.gz LAXOAUKUYWJTCY-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474083 944300694 /nfs/dbraw/zinc/30/06/94/944300694.db2.gz LAXOAUKUYWJTCY-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474083 944300701 /nfs/dbraw/zinc/30/07/01/944300701.db2.gz LAXOAUKUYWJTCY-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474083 944300710 /nfs/dbraw/zinc/30/07/10/944300710.db2.gz LAXOAUKUYWJTCY-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567399422 946644636 /nfs/dbraw/zinc/64/46/36/946644636.db2.gz BXRISIPMAAOEEK-UHFFFAOYSA-N 2 2 353.466 4.000 20 5 FHBDLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567399422 946644642 /nfs/dbraw/zinc/64/46/42/946644642.db2.gz BXRISIPMAAOEEK-UHFFFAOYSA-N 2 2 353.466 4.000 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203834 928002536 /nfs/dbraw/zinc/00/25/36/928002536.db2.gz JJGUYZPJHUEQEO-OXJNMPFZSA-N 2 2 369.465 3.604 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000430203834 928002550 /nfs/dbraw/zinc/00/25/50/928002550.db2.gz JJGUYZPJHUEQEO-OXJNMPFZSA-N 2 2 369.465 3.604 20 5 FHBDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000611717356 936104693 /nfs/dbraw/zinc/10/46/93/936104693.db2.gz XRSWEMGWGNLASN-OAQYLSRUSA-N 2 2 364.449 3.982 20 5 FHBDLP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913686 941299268 /nfs/dbraw/zinc/29/92/68/941299268.db2.gz GYOQBAZTEJJUSJ-OAHLLOKOSA-N 2 2 352.394 3.510 20 5 FHBDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163711990 941613040 /nfs/dbraw/zinc/61/30/40/941613040.db2.gz IDVCEHLTQJMIBY-QGZVFWFLSA-N 2 2 369.465 3.586 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000163712122 941614038 /nfs/dbraw/zinc/61/40/38/941614038.db2.gz IDVCEHLTQJMIBY-KRWDZBQOSA-N 2 2 369.465 3.586 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000517550974 941952562 /nfs/dbraw/zinc/95/25/62/941952562.db2.gz ZAXSTYPFVFILBX-UHFFFAOYSA-N 2 2 355.438 3.961 20 5 FHBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821867 942539666 /nfs/dbraw/zinc/53/96/66/942539666.db2.gz RPCFQZLKDIRJQP-NZSAHSFTSA-N 2 2 368.481 3.978 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1 ZINC000435055204 943127444 /nfs/dbraw/zinc/12/74/44/943127444.db2.gz GXDKWXCKKYIMDN-LJQANCHMSA-N 2 2 365.389 3.903 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)c1 ZINC000435055204 943127446 /nfs/dbraw/zinc/12/74/46/943127446.db2.gz GXDKWXCKKYIMDN-LJQANCHMSA-N 2 2 365.389 3.903 20 5 FHBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380814 943157512 /nfs/dbraw/zinc/15/75/12/943157512.db2.gz WJBFINNJOUQVBT-CQSZACIVSA-N 2 2 358.417 3.646 20 5 FHBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380814 943157515 /nfs/dbraw/zinc/15/75/15/943157515.db2.gz WJBFINNJOUQVBT-CQSZACIVSA-N 2 2 358.417 3.646 20 5 FHBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383527 943371155 /nfs/dbraw/zinc/37/11/55/943371155.db2.gz HQQFLNIUDOHFRK-CQSZACIVSA-N 2 2 361.829 3.821 20 5 FHBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000435383527 943371159 /nfs/dbraw/zinc/37/11/59/943371159.db2.gz HQQFLNIUDOHFRK-CQSZACIVSA-N 2 2 361.829 3.821 20 5 FHBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474869 944288917 /nfs/dbraw/zinc/28/89/17/944288917.db2.gz QFVABSOISYKOPI-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474869 944288925 /nfs/dbraw/zinc/28/89/25/944288925.db2.gz QFVABSOISYKOPI-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474869 944288935 /nfs/dbraw/zinc/28/89/35/944288935.db2.gz QFVABSOISYKOPI-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474869 944288945 /nfs/dbraw/zinc/28/89/45/944288945.db2.gz QFVABSOISYKOPI-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)c1 ZINC000475583843 946751233 /nfs/dbraw/zinc/75/12/33/946751233.db2.gz NTNFDHYNEAAHSG-UHFFFAOYSA-N 2 2 355.438 3.961 20 5 FHBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568532002 568047384 /nfs/dbraw/zinc/04/73/84/568047384.db2.gz WGTNWSGUBGMDFE-FQEVSTJZSA-N 2 2 369.440 3.975 20 5 FHBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711584 935544534 /nfs/dbraw/zinc/54/45/34/935544534.db2.gz JIBHNNDYKMFFCG-CRAIPNDOSA-N 2 2 357.429 3.734 20 5 FHBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381711584 935544537 /nfs/dbraw/zinc/54/45/37/935544537.db2.gz JIBHNNDYKMFFCG-CRAIPNDOSA-N 2 2 357.429 3.734 20 5 FHBDLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000163720583 941661287 /nfs/dbraw/zinc/66/12/87/941661287.db2.gz OBYPQNCRXZXHRG-KRWDZBQOSA-N 2 2 369.465 3.586 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394699 943380085 /nfs/dbraw/zinc/38/00/85/943380085.db2.gz OTYDAOPLHBODKZ-LQOHYYORSA-N 2 2 366.465 3.647 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435394699 943380091 /nfs/dbraw/zinc/38/00/91/943380091.db2.gz OTYDAOPLHBODKZ-LQOHYYORSA-N 2 2 366.465 3.647 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247935449 937110976 /nfs/dbraw/zinc/11/09/76/937110976.db2.gz CKIAKDXSJLWPLE-FUHIMQAGSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247935449 937110987 /nfs/dbraw/zinc/11/09/87/937110987.db2.gz CKIAKDXSJLWPLE-FUHIMQAGSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000126186911 931562656 /nfs/dbraw/zinc/56/26/56/931562656.db2.gz CKIAKDXSJLWPLE-ZWOKBUDYSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000126186911 931562660 /nfs/dbraw/zinc/56/26/60/931562660.db2.gz CKIAKDXSJLWPLE-ZWOKBUDYSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931545 936302634 /nfs/dbraw/zinc/30/26/34/936302634.db2.gz YIPHLEAVGAHIED-INIZCTEOSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931545 936302637 /nfs/dbraw/zinc/30/26/37/936302637.db2.gz YIPHLEAVGAHIED-INIZCTEOSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931545 936302640 /nfs/dbraw/zinc/30/26/40/936302640.db2.gz YIPHLEAVGAHIED-INIZCTEOSA-N 2 2 359.495 3.919 20 5 FHBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000582931545 936302645 /nfs/dbraw/zinc/30/26/45/936302645.db2.gz YIPHLEAVGAHIED-INIZCTEOSA-N 2 2 359.495 3.919 20 5 FHBDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178643944 941290216 /nfs/dbraw/zinc/29/02/16/941290216.db2.gz SZEDUXMONHQCJS-KRWDZBQOSA-N 2 2 353.466 3.953 20 5 FHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378438400 942773221 /nfs/dbraw/zinc/77/32/21/942773221.db2.gz ZFVVLYOBMRSYTM-QGZVFWFLSA-N 2 2 368.481 3.690 20 5 FHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378438400 942773225 /nfs/dbraw/zinc/77/32/25/942773225.db2.gz ZFVVLYOBMRSYTM-QGZVFWFLSA-N 2 2 368.481 3.690 20 5 FHBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687859 942865815 /nfs/dbraw/zinc/86/58/15/942865815.db2.gz ZSDBJHYGXFWIGI-UHFFFAOYSA-N 2 2 358.417 3.646 20 5 FHBDLP C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369025 943363327 /nfs/dbraw/zinc/36/33/27/943363327.db2.gz CNPFVFSSNYQWHJ-CXAGYDPISA-N 2 2 359.401 3.695 20 5 FHBDLP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000435369025 943363335 /nfs/dbraw/zinc/36/33/35/943363335.db2.gz CNPFVFSSNYQWHJ-CXAGYDPISA-N 2 2 359.401 3.695 20 5 FHBDLP CCC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549466415 943406246 /nfs/dbraw/zinc/40/62/46/943406246.db2.gz HPBOAIVFDRKSRI-UHFFFAOYSA-N 2 2 359.392 3.920 20 5 FHBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000549466415 943406249 /nfs/dbraw/zinc/40/62/49/943406249.db2.gz HPBOAIVFDRKSRI-UHFFFAOYSA-N 2 2 359.392 3.920 20 5 FHBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000417320942 943514028 /nfs/dbraw/zinc/51/40/28/943514028.db2.gz KSPLVKGXPXORLR-IBGZPJMESA-N 2 2 354.454 3.727 20 5 FHBDLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125450773 946069488 /nfs/dbraw/zinc/06/94/88/946069488.db2.gz GALFQDZTGWUDKH-SFHVURJKSA-N 2 2 368.481 3.746 20 5 FHBDLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125450773 946069501 /nfs/dbraw/zinc/06/95/01/946069501.db2.gz GALFQDZTGWUDKH-SFHVURJKSA-N 2 2 368.481 3.746 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000151327965 945135596 /nfs/dbraw/zinc/13/55/96/945135596.db2.gz IBTPWUHKVXQFHV-INIZCTEOSA-N 2 2 350.422 3.999 20 5 FHBDLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000434738143 942931503 /nfs/dbraw/zinc/93/15/03/942931503.db2.gz RIWLUDYVJKHKQG-UHFFFAOYSA-N 2 2 370.453 3.516 20 5 FHBDLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000601969424 567890080 /nfs/dbraw/zinc/89/00/80/567890080.db2.gz CYMZONDJMAQCJU-CQSZACIVSA-N 2 2 360.483 3.586 20 5 FHBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984954 568446684 /nfs/dbraw/zinc/44/66/84/568446684.db2.gz FDWHGNWXWCJIIU-CZUORRHYSA-N 2 2 359.401 3.838 20 5 FHBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984954 568446685 /nfs/dbraw/zinc/44/66/85/568446685.db2.gz FDWHGNWXWCJIIU-CZUORRHYSA-N 2 2 359.401 3.838 20 5 FHBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942588 937114042 /nfs/dbraw/zinc/11/40/42/937114042.db2.gz DDPGXNHZDZPQFH-TYCQWZJGSA-N 2 2 368.481 3.941 20 5 FHBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247942588 937114046 /nfs/dbraw/zinc/11/40/46/937114046.db2.gz DDPGXNHZDZPQFH-TYCQWZJGSA-N 2 2 368.481 3.941 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000430203835 928001993 /nfs/dbraw/zinc/00/19/93/928001993.db2.gz JJGUYZPJHUEQEO-OXQOHEQNSA-N 2 2 369.465 3.604 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000430203835 928001997 /nfs/dbraw/zinc/00/19/97/928001997.db2.gz JJGUYZPJHUEQEO-OXQOHEQNSA-N 2 2 369.465 3.604 20 5 FHBDLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422085 930498571 /nfs/dbraw/zinc/49/85/71/930498571.db2.gz XEULFMMEMJFTLS-HNAYVOBHSA-N 2 2 350.422 3.963 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055780 941575659 /nfs/dbraw/zinc/57/56/59/941575659.db2.gz RJZSCDLREDRFHX-QAPCUYQASA-N 2 2 372.494 3.682 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055780 941575664 /nfs/dbraw/zinc/57/56/64/941575664.db2.gz RJZSCDLREDRFHX-QAPCUYQASA-N 2 2 372.494 3.682 20 5 FHBDLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088498 943389351 /nfs/dbraw/zinc/38/93/51/943389351.db2.gz QHXRLURRPDOJCC-YVEFUNNKSA-N 2 2 367.371 3.662 20 5 FHBDLP O=[N+]([O-])c1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423286 943403697 /nfs/dbraw/zinc/40/36/97/943403697.db2.gz SKERGMAAUUMGRR-HNNXBMFYSA-N 2 2 363.508 3.862 20 5 FHBDLP O=[N+]([O-])c1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435423286 943403700 /nfs/dbraw/zinc/40/37/00/943403700.db2.gz SKERGMAAUUMGRR-HNNXBMFYSA-N 2 2 363.508 3.862 20 5 FHBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415730 943851414 /nfs/dbraw/zinc/85/14/14/943851414.db2.gz KEMOHOBQDIJXEB-IUODEOHRSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415730 943851423 /nfs/dbraw/zinc/85/14/23/943851423.db2.gz KEMOHOBQDIJXEB-IUODEOHRSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415730 943851429 /nfs/dbraw/zinc/85/14/29/943851429.db2.gz KEMOHOBQDIJXEB-IUODEOHRSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415730 943851435 /nfs/dbraw/zinc/85/14/35/943851435.db2.gz KEMOHOBQDIJXEB-IUODEOHRSA-N 2 2 370.291 3.519 20 5 FHBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474081 944300810 /nfs/dbraw/zinc/30/08/10/944300810.db2.gz LAXOAUKUYWJTCY-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474081 944300818 /nfs/dbraw/zinc/30/08/18/944300818.db2.gz LAXOAUKUYWJTCY-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474081 944300827 /nfs/dbraw/zinc/30/08/27/944300827.db2.gz LAXOAUKUYWJTCY-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474081 944300832 /nfs/dbraw/zinc/30/08/32/944300832.db2.gz LAXOAUKUYWJTCY-QZTJIDSGSA-N 2 2 361.486 3.560 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971856 223140486 /nfs/dbraw/zinc/14/04/86/223140486.db2.gz DCZLWNWPSJPBMX-AUUYWEPGSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971856 223140488 /nfs/dbraw/zinc/14/04/88/223140488.db2.gz DCZLWNWPSJPBMX-AUUYWEPGSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010742 929937176 /nfs/dbraw/zinc/93/71/76/929937176.db2.gz ZLMXMRYKPIIJSA-DOTOQJQBSA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010742 929937187 /nfs/dbraw/zinc/93/71/87/929937187.db2.gz ZLMXMRYKPIIJSA-DOTOQJQBSA-N 2 2 354.454 3.987 20 5 FHBDLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422083 930498878 /nfs/dbraw/zinc/49/88/78/930498878.db2.gz XEULFMMEMJFTLS-BEFAXECRSA-N 2 2 350.422 3.963 20 5 FHBDLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000610272692 931944436 /nfs/dbraw/zinc/94/44/36/931944436.db2.gz DSGFKOWAIGTBAX-ABMFHFBKSA-N 2 2 362.433 3.915 20 5 FHBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380813 943157478 /nfs/dbraw/zinc/15/74/78/943157478.db2.gz WJBFINNJOUQVBT-AWEZNQCLSA-N 2 2 358.417 3.646 20 5 FHBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503380813 943157479 /nfs/dbraw/zinc/15/74/79/943157479.db2.gz WJBFINNJOUQVBT-AWEZNQCLSA-N 2 2 358.417 3.646 20 5 FHBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474871 944289287 /nfs/dbraw/zinc/28/92/87/944289287.db2.gz QFVABSOISYKOPI-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474871 944289292 /nfs/dbraw/zinc/28/92/92/944289292.db2.gz QFVABSOISYKOPI-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474871 944289296 /nfs/dbraw/zinc/28/92/96/944289296.db2.gz QFVABSOISYKOPI-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000506474871 944289302 /nfs/dbraw/zinc/28/93/02/944289302.db2.gz QFVABSOISYKOPI-ZWKOTPCHSA-N 2 2 361.486 3.560 20 5 FHBDLP COc1ccc(-c2ccc(C[N@H+](C)CCCn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000516514555 944964532 /nfs/dbraw/zinc/96/45/32/944964532.db2.gz YRUKQDPIVPFJQV-UHFFFAOYSA-N 2 2 370.409 3.582 20 5 FHBDLP COc1ccc(-c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)o2)c([N+](=O)[O-])c1 ZINC000516514555 944964535 /nfs/dbraw/zinc/96/45/35/944964535.db2.gz YRUKQDPIVPFJQV-UHFFFAOYSA-N 2 2 370.409 3.582 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181916917 568196042 /nfs/dbraw/zinc/19/60/42/568196042.db2.gz QTCXVTBMRXIPKH-AWEZNQCLSA-N 2 2 352.394 3.640 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000430200152 927938620 /nfs/dbraw/zinc/93/86/20/927938620.db2.gz FYNICRDEXOWHNV-CQSZACIVSA-N 2 2 366.421 3.948 20 5 FHBDLP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000581966421 933127578 /nfs/dbraw/zinc/12/75/78/933127578.db2.gz AMXBOGDHHGYXJL-UHFFFAOYSA-N 2 2 361.405 3.594 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000510534512 933194482 /nfs/dbraw/zinc/19/44/82/933194482.db2.gz QPSMSYDDKFCADQ-HNNXBMFYSA-N 2 2 352.394 3.958 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000510534512 933194486 /nfs/dbraw/zinc/19/44/86/933194486.db2.gz QPSMSYDDKFCADQ-HNNXBMFYSA-N 2 2 352.394 3.958 20 5 FHBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511118644 935665424 /nfs/dbraw/zinc/66/54/24/935665424.db2.gz BBUWVRSQWZLREK-UHFFFAOYSA-N 2 2 350.422 3.763 20 5 FHBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511118644 935665427 /nfs/dbraw/zinc/66/54/27/935665427.db2.gz BBUWVRSQWZLREK-UHFFFAOYSA-N 2 2 350.422 3.763 20 5 FHBDLP Cc1c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000151333374 945231659 /nfs/dbraw/zinc/23/16/59/945231659.db2.gz ARBWBDZQSFYAGY-MRXNPFEDSA-N 2 2 350.422 3.999 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095192 940468240 /nfs/dbraw/zinc/46/82/40/940468240.db2.gz QWLJLZDONMSOLU-IIBYNOLFSA-N 2 2 351.450 3.758 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095192 940468242 /nfs/dbraw/zinc/46/82/42/940468242.db2.gz QWLJLZDONMSOLU-IIBYNOLFSA-N 2 2 351.450 3.758 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494346 942826766 /nfs/dbraw/zinc/82/67/66/942826766.db2.gz KXJUKPAXOZSNRW-QKNQBKEWSA-N 2 2 351.450 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000378494346 942826768 /nfs/dbraw/zinc/82/67/68/942826768.db2.gz KXJUKPAXOZSNRW-QKNQBKEWSA-N 2 2 351.450 3.901 20 5 FHBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371503 943145355 /nfs/dbraw/zinc/14/53/55/943145355.db2.gz BRNLQBACBQSYLB-INIZCTEOSA-N 2 2 370.453 3.516 20 5 FHBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371503 943145360 /nfs/dbraw/zinc/14/53/60/943145360.db2.gz BRNLQBACBQSYLB-INIZCTEOSA-N 2 2 370.453 3.516 20 5 FHBDLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088495 943389359 /nfs/dbraw/zinc/38/93/59/943389359.db2.gz QHXRLURRPDOJCC-PXAZEXFGSA-N 2 2 367.371 3.662 20 5 FHBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000504893507 943891945 /nfs/dbraw/zinc/89/19/45/943891945.db2.gz GJMWTHZAYQRKSC-HNNXBMFYSA-N 2 2 374.510 3.831 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971858 223141314 /nfs/dbraw/zinc/14/13/14/223141314.db2.gz DCZLWNWPSJPBMX-KUHUBIRLSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000359971858 223141317 /nfs/dbraw/zinc/14/13/17/223141317.db2.gz DCZLWNWPSJPBMX-KUHUBIRLSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216322 931619971 /nfs/dbraw/zinc/61/99/71/931619971.db2.gz GFAJFIZROSMVJJ-RIFZZMRRSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000126216322 931619974 /nfs/dbraw/zinc/61/99/74/931619974.db2.gz GFAJFIZROSMVJJ-RIFZZMRRSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502311263 942359327 /nfs/dbraw/zinc/35/93/27/942359327.db2.gz SWBSJTMFHJQLLT-KRWDZBQOSA-N 2 2 354.454 3.816 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502311263 942359332 /nfs/dbraw/zinc/35/93/32/942359332.db2.gz SWBSJTMFHJQLLT-KRWDZBQOSA-N 2 2 354.454 3.816 20 5 FHBDLP CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435374112 943356652 /nfs/dbraw/zinc/35/66/52/943356652.db2.gz WIKPSJIYGZUSLC-INIZCTEOSA-N 2 2 360.483 3.682 20 5 FHBDLP CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435374112 943356655 /nfs/dbraw/zinc/35/66/55/943356655.db2.gz WIKPSJIYGZUSLC-INIZCTEOSA-N 2 2 360.483 3.682 20 5 FHBDLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086543 943389090 /nfs/dbraw/zinc/38/90/90/943389090.db2.gz MAQZFNVYTRQYSO-CVEARBPZSA-N 2 2 351.328 3.848 20 5 FHBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000475560663 946653360 /nfs/dbraw/zinc/65/33/60/946653360.db2.gz OJAJNQZWRHMJEY-UHFFFAOYSA-N 2 2 355.438 3.961 20 5 FHBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971859 223140430 /nfs/dbraw/zinc/14/04/30/223140430.db2.gz DCZLWNWPSJPBMX-LIRRHRJNSA-N 2 2 374.510 3.668 20 5 FHBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000359971859 223140433 /nfs/dbraw/zinc/14/04/33/223140433.db2.gz DCZLWNWPSJPBMX-LIRRHRJNSA-N 2 2 374.510 3.668 20 5 FHBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510379 568051759 /nfs/dbraw/zinc/05/17/59/568051759.db2.gz WDXYPODSNBRIIP-LJQANCHMSA-N 2 2 351.450 3.882 20 5 FHBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510379 568051760 /nfs/dbraw/zinc/05/17/60/568051760.db2.gz WDXYPODSNBRIIP-LJQANCHMSA-N 2 2 351.450 3.882 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247935458 937110719 /nfs/dbraw/zinc/11/07/19/937110719.db2.gz CKIAKDXSJLWPLE-UWVAXJGDSA-N 2 2 368.481 3.859 20 5 FHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247935458 937110722 /nfs/dbraw/zinc/11/07/22/937110722.db2.gz CKIAKDXSJLWPLE-UWVAXJGDSA-N 2 2 368.481 3.859 20 5 FHBDLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422086 930498474 /nfs/dbraw/zinc/49/84/74/930498474.db2.gz XEULFMMEMJFTLS-KXBFYZLASA-N 2 2 350.422 3.963 20 5 FHBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000177805123 940446723 /nfs/dbraw/zinc/44/67/23/940446723.db2.gz OCUGIWKJHZDZKF-FQEVSTJZSA-N 2 2 362.433 3.891 20 5 FHBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821868 942539529 /nfs/dbraw/zinc/53/95/29/942539529.db2.gz RPCFQZLKDIRJQP-WDSOQIARSA-N 2 2 368.481 3.978 20 5 FHBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000513821869 942539768 /nfs/dbraw/zinc/53/97/68/942539768.db2.gz RPCFQZLKDIRJQP-YTQUADARSA-N 2 2 368.481 3.978 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405639 943166188 /nfs/dbraw/zinc/16/61/88/943166188.db2.gz KCICCFXNCYESOC-MRXNPFEDSA-N 2 2 370.453 3.516 20 5 FHBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405639 943166191 /nfs/dbraw/zinc/16/61/91/943166191.db2.gz KCICCFXNCYESOC-MRXNPFEDSA-N 2 2 370.453 3.516 20 5 FHBDLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000423086546 943388773 /nfs/dbraw/zinc/38/87/73/943388773.db2.gz MAQZFNVYTRQYSO-JKSUJKDBSA-N 2 2 351.328 3.848 20 5 FHBDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178643957 936024657 /nfs/dbraw/zinc/02/46/57/936024657.db2.gz SZEDUXMONHQCJS-QGZVFWFLSA-N 2 2 353.466 3.953 20 5 FHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234307 943443091 /nfs/dbraw/zinc/44/30/91/943443091.db2.gz FOCNFGNTAONNRR-CEXWTWQISA-N 2 2 371.485 3.688 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336232 946902285 /nfs/dbraw/zinc/90/22/85/946902285.db2.gz UCSJJSDZQDZMEZ-WRZRBREKSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336232 946902292 /nfs/dbraw/zinc/90/22/92/946902292.db2.gz UCSJJSDZQDZMEZ-WRZRBREKSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336232 946902304 /nfs/dbraw/zinc/90/23/04/946902304.db2.gz UCSJJSDZQDZMEZ-WRZRBREKSA-N 2 2 363.461 3.672 20 5 FHBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475336232 946902315 /nfs/dbraw/zinc/90/23/15/946902315.db2.gz UCSJJSDZQDZMEZ-WRZRBREKSA-N 2 2 363.461 3.672 20 5 FHBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000569411077 568401205 /nfs/dbraw/zinc/40/12/05/568401205.db2.gz UXDBPCGLOAPQDT-OAHLLOKOSA-N 2 2 351.410 3.668 20 5 FHBDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242790 568518290 /nfs/dbraw/zinc/51/82/90/568518290.db2.gz LTZQKETXFDPKBW-AWEZNQCLSA-N 2 2 363.483 3.552 20 5 FHBDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482242790 568518292 /nfs/dbraw/zinc/51/82/92/568518292.db2.gz LTZQKETXFDPKBW-AWEZNQCLSA-N 2 2 363.483 3.552 20 5 FHBDLP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000611944426 938994784 /nfs/dbraw/zinc/99/47/84/938994784.db2.gz HMLAWELDUCIJID-UHFFFAOYSA-N 2 2 372.469 3.753 20 5 FHBDLP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000364698345 939985606 /nfs/dbraw/zinc/98/56/06/939985606.db2.gz QORFBZCYJGUEHI-RXVVDRJESA-N 2 2 368.481 3.896 20 5 FHBDLP CC(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000364698345 939985609 /nfs/dbraw/zinc/98/56/09/939985609.db2.gz QORFBZCYJGUEHI-RXVVDRJESA-N 2 2 368.481 3.896 20 5 FHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095145 940468340 /nfs/dbraw/zinc/46/83/40/940468340.db2.gz QWLJLZDONMSOLU-KKSFZXQISA-N 2 2 351.450 3.758 20 5 FHBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000180095145 940468341 /nfs/dbraw/zinc/46/83/41/940468341.db2.gz QWLJLZDONMSOLU-KKSFZXQISA-N 2 2 351.450 3.758 20 5 FHBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000422559119 943181694 /nfs/dbraw/zinc/18/16/94/943181694.db2.gz CBLPOUQVHMAGET-VNHYZAJKSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000422559119 943181700 /nfs/dbraw/zinc/18/17/00/943181700.db2.gz CBLPOUQVHMAGET-VNHYZAJKSA-N 2 2 360.483 3.524 20 5 FHBDLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088497 943389476 /nfs/dbraw/zinc/38/94/76/943389476.db2.gz QHXRLURRPDOJCC-SJKOYZFVSA-N 2 2 367.371 3.662 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055776 941575836 /nfs/dbraw/zinc/57/58/36/941575836.db2.gz RJZSCDLREDRFHX-CRAIPNDOSA-N 2 2 372.494 3.682 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415055776 941575838 /nfs/dbraw/zinc/57/58/38/941575838.db2.gz RJZSCDLREDRFHX-CRAIPNDOSA-N 2 2 372.494 3.682 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502311264 942359310 /nfs/dbraw/zinc/35/93/10/942359310.db2.gz SWBSJTMFHJQLLT-QGZVFWFLSA-N 2 2 354.454 3.816 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502311264 942359314 /nfs/dbraw/zinc/35/93/14/942359314.db2.gz SWBSJTMFHJQLLT-QGZVFWFLSA-N 2 2 354.454 3.816 20 5 FHBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371504 943145412 /nfs/dbraw/zinc/14/54/12/943145412.db2.gz BRNLQBACBQSYLB-MRXNPFEDSA-N 2 2 370.453 3.516 20 5 FHBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503371504 943145417 /nfs/dbraw/zinc/14/54/17/943145417.db2.gz BRNLQBACBQSYLB-MRXNPFEDSA-N 2 2 370.453 3.516 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)o2)c(Cl)c1 ZINC000422564965 943183985 /nfs/dbraw/zinc/18/39/85/943183985.db2.gz XEBAERJOJPHLPZ-UHFFFAOYSA-N 2 2 361.829 3.836 20 5 FHBDLP CCc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380643 946867696 /nfs/dbraw/zinc/86/76/96/946867696.db2.gz QYQOUIWOJHVYPJ-HXUWFJFHSA-N 2 2 355.438 3.691 20 5 FHBDLP CCc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380643 946867709 /nfs/dbraw/zinc/86/77/09/946867709.db2.gz QYQOUIWOJHVYPJ-HXUWFJFHSA-N 2 2 355.438 3.691 20 5 FHBDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660869 943138711 /nfs/dbraw/zinc/13/87/11/943138711.db2.gz ORDJCCRZUIDIRE-CRAIPNDOSA-N 2 2 354.454 3.532 20 5 FHBDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000414660869 943138715 /nfs/dbraw/zinc/13/87/15/943138715.db2.gz ORDJCCRZUIDIRE-CRAIPNDOSA-N 2 2 354.454 3.532 20 5 FHBDLP Cc1c([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000152106705 948743062 /nfs/dbraw/zinc/74/30/62/948743062.db2.gz ZCULWMWICFUXHQ-MRXNPFEDSA-N 2 2 350.422 3.999 20 5 FHBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510377 568051715 /nfs/dbraw/zinc/05/17/15/568051715.db2.gz WDXYPODSNBRIIP-IBGZPJMESA-N 2 2 351.450 3.882 20 5 FHBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568510377 568051716 /nfs/dbraw/zinc/05/17/16/568051716.db2.gz WDXYPODSNBRIIP-IBGZPJMESA-N 2 2 351.450 3.882 20 5 FHBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984952 568446638 /nfs/dbraw/zinc/44/66/38/568446638.db2.gz FDWHGNWXWCJIIU-BBRMVZONSA-N 2 2 359.401 3.838 20 5 FHBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984952 568446639 /nfs/dbraw/zinc/44/66/39/568446639.db2.gz FDWHGNWXWCJIIU-BBRMVZONSA-N 2 2 359.401 3.838 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010745 929937031 /nfs/dbraw/zinc/93/70/31/929937031.db2.gz ZLMXMRYKPIIJSA-WBVHZDCISA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010745 929937058 /nfs/dbraw/zinc/93/70/58/929937058.db2.gz ZLMXMRYKPIIJSA-WBVHZDCISA-N 2 2 354.454 3.987 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558249 934871979 /nfs/dbraw/zinc/87/19/79/934871979.db2.gz UPXGXSFFULFYRF-YJBOKZPZSA-N 2 2 369.469 3.612 20 5 FHBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749980 938871938 /nfs/dbraw/zinc/87/19/38/938871938.db2.gz IZOAVZUUCKSXFW-NNQSOWQGSA-N 2 2 357.376 3.671 20 5 FHBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749980 938871942 /nfs/dbraw/zinc/87/19/42/938871942.db2.gz IZOAVZUUCKSXFW-NNQSOWQGSA-N 2 2 357.376 3.671 20 5 FHBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749980 938871946 /nfs/dbraw/zinc/87/19/46/938871946.db2.gz IZOAVZUUCKSXFW-NNQSOWQGSA-N 2 2 357.376 3.671 20 5 FHBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375749980 938871949 /nfs/dbraw/zinc/87/19/49/938871949.db2.gz IZOAVZUUCKSXFW-NNQSOWQGSA-N 2 2 357.376 3.671 20 5 FHBDLP Cc1c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000151333434 945231577 /nfs/dbraw/zinc/23/15/77/945231577.db2.gz ARBWBDZQSFYAGY-INIZCTEOSA-N 2 2 350.422 3.999 20 5 FHBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912494 941299304 /nfs/dbraw/zinc/29/93/04/941299304.db2.gz SUIWSZQKICJBRF-CQSZACIVSA-N 2 2 352.394 3.640 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055782 941575700 /nfs/dbraw/zinc/57/57/00/941575700.db2.gz RJZSCDLREDRFHX-YJBOKZPZSA-N 2 2 372.494 3.682 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415055782 941575705 /nfs/dbraw/zinc/57/57/05/941575705.db2.gz RJZSCDLREDRFHX-YJBOKZPZSA-N 2 2 372.494 3.682 20 5 FHBDLP Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650597 943095520 /nfs/dbraw/zinc/09/55/20/943095520.db2.gz DKDRKSCEXOUANZ-MRXNPFEDSA-N 2 2 357.479 3.835 20 5 FHBDLP Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])cc1 ZINC000414650597 943095524 /nfs/dbraw/zinc/09/55/24/943095524.db2.gz DKDRKSCEXOUANZ-MRXNPFEDSA-N 2 2 357.479 3.835 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435439537 943417394 /nfs/dbraw/zinc/41/73/94/943417394.db2.gz SYGWFWNMTHLFGE-QGZVFWFLSA-N 2 2 372.494 3.504 20 5 FHBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435439537 943417398 /nfs/dbraw/zinc/41/73/98/943417398.db2.gz SYGWFWNMTHLFGE-QGZVFWFLSA-N 2 2 372.494 3.504 20 5 FHBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415732 943851072 /nfs/dbraw/zinc/85/10/72/943851072.db2.gz KEMOHOBQDIJXEB-SWLSCSKDSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415732 943851080 /nfs/dbraw/zinc/85/10/80/943851080.db2.gz KEMOHOBQDIJXEB-SWLSCSKDSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415732 943851089 /nfs/dbraw/zinc/85/10/89/943851089.db2.gz KEMOHOBQDIJXEB-SWLSCSKDSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425415732 943851095 /nfs/dbraw/zinc/85/10/95/943851095.db2.gz KEMOHOBQDIJXEB-SWLSCSKDSA-N 2 2 370.291 3.519 20 5 FHBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984955 568446651 /nfs/dbraw/zinc/44/66/51/568446651.db2.gz FDWHGNWXWCJIIU-XJKSGUPXSA-N 2 2 359.401 3.838 20 5 FHBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000569984955 568446653 /nfs/dbraw/zinc/44/66/53/568446653.db2.gz FDWHGNWXWCJIIU-XJKSGUPXSA-N 2 2 359.401 3.838 20 5 FHBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136802 937256354 /nfs/dbraw/zinc/25/63/54/937256354.db2.gz PDFXHRYZPTYBKT-TWOQFEAHSA-N 2 2 354.454 3.551 20 5 FHBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248136802 937256358 /nfs/dbraw/zinc/25/63/58/937256358.db2.gz PDFXHRYZPTYBKT-TWOQFEAHSA-N 2 2 354.454 3.551 20 5 FHBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000581517918 932195461 /nfs/dbraw/zinc/19/54/61/932195461.db2.gz CWMHRIJLWKCBMD-ZDUSSCGKSA-N 2 2 354.435 3.694 20 5 FHBDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660873 941429895 /nfs/dbraw/zinc/42/98/95/941429895.db2.gz ORDJCCRZUIDIRE-QAPCUYQASA-N 2 2 354.454 3.532 20 5 FHBDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000414660873 941429900 /nfs/dbraw/zinc/42/99/00/941429900.db2.gz ORDJCCRZUIDIRE-QAPCUYQASA-N 2 2 354.454 3.532 20 5 FHBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415729 943851311 /nfs/dbraw/zinc/85/13/11/943851311.db2.gz KEMOHOBQDIJXEB-DOMZBBRYSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415729 943851319 /nfs/dbraw/zinc/85/13/19/943851319.db2.gz KEMOHOBQDIJXEB-DOMZBBRYSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415729 943851329 /nfs/dbraw/zinc/85/13/29/943851329.db2.gz KEMOHOBQDIJXEB-DOMZBBRYSA-N 2 2 370.291 3.519 20 5 FHBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425415729 943851337 /nfs/dbraw/zinc/85/13/37/943851337.db2.gz KEMOHOBQDIJXEB-DOMZBBRYSA-N 2 2 370.291 3.519 20 5 FHBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474080 944300574 /nfs/dbraw/zinc/30/05/74/944300574.db2.gz LAXOAUKUYWJTCY-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474080 944300577 /nfs/dbraw/zinc/30/05/77/944300577.db2.gz LAXOAUKUYWJTCY-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474080 944300584 /nfs/dbraw/zinc/30/05/84/944300584.db2.gz LAXOAUKUYWJTCY-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000506474080 944300589 /nfs/dbraw/zinc/30/05/89/944300589.db2.gz LAXOAUKUYWJTCY-MSOLQXFVSA-N 2 2 361.486 3.560 20 5 FHBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000125245644 945690225 /nfs/dbraw/zinc/69/02/25/945690225.db2.gz FJZDBOBPYDUVPT-UHFFFAOYSA-N 2 2 373.453 3.780 20 5 FHBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000125245644 945690239 /nfs/dbraw/zinc/69/02/39/945690239.db2.gz FJZDBOBPYDUVPT-UHFFFAOYSA-N 2 2 373.453 3.780 20 5 FHBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000614740428 946390777 /nfs/dbraw/zinc/39/07/77/946390777.db2.gz BMBYZNAZJSNELJ-HNNXBMFYSA-N 2 2 360.845 3.771 20 5 FHBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000614740428 946390785 /nfs/dbraw/zinc/39/07/85/946390785.db2.gz BMBYZNAZJSNELJ-HNNXBMFYSA-N 2 2 360.845 3.771 20 5 FHBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000291160032 568067222 /nfs/dbraw/zinc/06/72/22/568067222.db2.gz MABCYGFYILMCAT-UHFFFAOYSA-N 2 2 365.783 3.755 20 5 FHBDLP C[NH+]1CCC([N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CC1 ZINC000611191034 933670138 /nfs/dbraw/zinc/67/01/38/933670138.db2.gz SZWDBEIJGKIZHZ-UHFFFAOYSA-N 2 2 353.466 3.734 20 5 FHBDLP C[NH+]1CCC([N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CC1 ZINC000611191034 933670148 /nfs/dbraw/zinc/67/01/48/933670148.db2.gz SZWDBEIJGKIZHZ-UHFFFAOYSA-N 2 2 353.466 3.734 20 5 FHBDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000151327906 945135539 /nfs/dbraw/zinc/13/55/39/945135539.db2.gz IBTPWUHKVXQFHV-MRXNPFEDSA-N 2 2 350.422 3.999 20 5 FHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000423234310 943442901 /nfs/dbraw/zinc/44/29/01/943442901.db2.gz FOCNFGNTAONNRR-QYZOEREBSA-N 2 2 371.485 3.688 20 5 FHBDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000569014929 568268591 /nfs/dbraw/zinc/26/85/91/568268591.db2.gz YCEWBYNKHHXBAX-UHFFFAOYSA-N 2 2 369.465 3.644 20 5 FHBDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000569014929 568268593 /nfs/dbraw/zinc/26/85/93/568268593.db2.gz YCEWBYNKHHXBAX-UHFFFAOYSA-N 2 2 369.465 3.644 20 5 FHBDLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422084 930498769 /nfs/dbraw/zinc/49/87/69/930498769.db2.gz XEULFMMEMJFTLS-DNVCBOLYSA-N 2 2 350.422 3.963 20 5 FHBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381711592 935544442 /nfs/dbraw/zinc/54/44/42/935544442.db2.gz JIBHNNDYKMFFCG-MAUKXSAKSA-N 2 2 357.429 3.734 20 5 FHBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381711592 935544446 /nfs/dbraw/zinc/54/44/46/935544446.db2.gz JIBHNNDYKMFFCG-MAUKXSAKSA-N 2 2 357.429 3.734 20 5 FHBDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000077992357 936056082 /nfs/dbraw/zinc/05/60/82/936056082.db2.gz VXAHHEVKBREHNR-UHFFFAOYSA-N 2 2 355.442 3.511 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694657 939983299 /nfs/dbraw/zinc/98/32/99/939983299.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694657 939983301 /nfs/dbraw/zinc/98/33/01/939983301.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364694657 939983304 /nfs/dbraw/zinc/98/33/04/939983304.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 2 2 368.481 3.984 20 5 FHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364694657 939983306 /nfs/dbraw/zinc/98/33/06/939983306.db2.gz HSXJNVNIMYPJIC-MMOPVJDHSA-N 2 2 368.481 3.984 20 5 FHBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538155 941947630 /nfs/dbraw/zinc/94/76/30/941947630.db2.gz NXMSDCFEAFQCJX-CQSZACIVSA-N 2 2 370.384 3.901 20 5 FHBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000517538154 941947786 /nfs/dbraw/zinc/94/77/86/941947786.db2.gz NXMSDCFEAFQCJX-AWEZNQCLSA-N 2 2 370.384 3.901 20 5 FHBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c1 ZINC000271173374 942119616 /nfs/dbraw/zinc/11/96/16/942119616.db2.gz DVANNWPFQJOYBC-UHFFFAOYSA-N 2 2 369.450 3.821 20 5 FHBDLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278971592 948347203 /nfs/dbraw/zinc/34/72/03/948347203.db2.gz XXYQYIRFCNJFFY-UHFFFAOYSA-N 2 2 370.453 3.516 20 5 FHBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000568532003 568047336 /nfs/dbraw/zinc/04/73/36/568047336.db2.gz WGTNWSGUBGMDFE-HXUWFJFHSA-N 2 2 369.440 3.975 20 5 FHBDLP