smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000248826483 497111654 /nfs/dbraw/zinc/11/16/54/497111654.db2.gz GKQNOWKQTVQMMI-QINHECLXSA-N 1 3 361.486 3.451 20 5 FGBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)n1 ZINC000580991758 505885354 /nfs/dbraw/zinc/88/53/54/505885354.db2.gz RBAVBFPCSPVABB-MSOLQXFVSA-N 1 3 361.490 3.272 20 5 FGBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000580991758 505885358 /nfs/dbraw/zinc/88/53/58/505885358.db2.gz RBAVBFPCSPVABB-MSOLQXFVSA-N 1 3 361.490 3.272 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449169873 500939763 /nfs/dbraw/zinc/93/97/63/500939763.db2.gz PVCHMZYNOPFXRC-GOSISDBHSA-N 1 3 374.529 3.066 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187279 502777802 /nfs/dbraw/zinc/77/78/02/502777802.db2.gz IUFIXSCCTOHWRF-DYESRHJHSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187279 502777804 /nfs/dbraw/zinc/77/78/04/502777804.db2.gz IUFIXSCCTOHWRF-DYESRHJHSA-N 1 3 369.465 3.474 20 5 FGBDHO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589184916 506472770 /nfs/dbraw/zinc/47/27/70/506472770.db2.gz AAQCHCSJMUJDFA-UHFFFAOYSA-N 1 3 357.454 3.210 20 5 FGBDHO CN(C)CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000589184916 506472775 /nfs/dbraw/zinc/47/27/75/506472775.db2.gz AAQCHCSJMUJDFA-UHFFFAOYSA-N 1 3 357.454 3.210 20 5 FGBDHO CN(C)CCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000589184916 506472782 /nfs/dbraw/zinc/47/27/82/506472782.db2.gz AAQCHCSJMUJDFA-UHFFFAOYSA-N 1 3 357.454 3.210 20 5 FGBDHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591347929 507214087 /nfs/dbraw/zinc/21/40/87/507214087.db2.gz FJHHNDURMKKUGE-UTKZUKDTSA-N 1 3 372.513 3.120 20 5 FGBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246554310 497772959 /nfs/dbraw/zinc/77/29/59/497772959.db2.gz WSRNUBAPNZJMSH-ZAAXVRCTSA-N 1 3 361.486 3.322 20 5 FGBDHO CC(C)c1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415131563 499867970 /nfs/dbraw/zinc/86/79/70/499867970.db2.gz ZLEQDXNYPZWGNQ-PXNSSMCTSA-N 1 3 361.486 3.437 20 5 FGBDHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336404 500043462 /nfs/dbraw/zinc/04/34/62/500043462.db2.gz VEOGWWUBXKFSQW-OXQOHEQNSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336404 500043466 /nfs/dbraw/zinc/04/34/66/500043466.db2.gz VEOGWWUBXKFSQW-OXQOHEQNSA-N 1 3 361.486 3.453 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC4(CC[NH2+]C4)CC3)o2)c([N+](=O)[O-])c1 ZINC000430930101 500309208 /nfs/dbraw/zinc/30/92/08/500309208.db2.gz RUPWMSIKZZNCQM-UHFFFAOYSA-N 1 3 371.437 3.439 20 5 FGBDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000515497119 503351103 /nfs/dbraw/zinc/35/11/03/503351103.db2.gz UAIQPXCPNITMOG-UHFFFAOYSA-N 1 3 374.485 3.038 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447426 503849699 /nfs/dbraw/zinc/84/96/99/503849699.db2.gz YFSPBAHQNRGCDN-CVEARBPZSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447426 503849707 /nfs/dbraw/zinc/84/97/07/503849707.db2.gz YFSPBAHQNRGCDN-CVEARBPZSA-N 1 3 362.474 3.036 20 5 FGBDHO COc1ccc(-c2ccc(CN[C@H]3CC34CC[NH2+]CC4)o2)c([N+](=O)[O-])c1 ZINC000591281927 507184320 /nfs/dbraw/zinc/18/43/20/507184320.db2.gz WSUDJYOHGOOKOK-SFHVURJKSA-N 1 3 357.410 3.095 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065311 507375177 /nfs/dbraw/zinc/37/51/77/507375177.db2.gz AACYOYWIKRVWKM-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065311 507375181 /nfs/dbraw/zinc/37/51/81/507375181.db2.gz AACYOYWIKRVWKM-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522926 494477948 /nfs/dbraw/zinc/47/79/48/494477948.db2.gz WSRNUBAPNZJMSH-CVAIRZPRSA-N 1 3 361.486 3.322 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120024916 495291616 /nfs/dbraw/zinc/29/16/16/495291616.db2.gz NPUPMSKHNRYCII-CYBMUJFWSA-N 1 3 362.474 3.211 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000120024916 495291619 /nfs/dbraw/zinc/29/16/19/495291619.db2.gz NPUPMSKHNRYCII-CYBMUJFWSA-N 1 3 362.474 3.211 20 5 FGBDHO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174403206 495943864 /nfs/dbraw/zinc/94/38/64/495943864.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174403206 495943869 /nfs/dbraw/zinc/94/38/69/495943869.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO COc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919702 497245718 /nfs/dbraw/zinc/24/57/18/497245718.db2.gz XNYRXEDNUHQCKG-SFHVURJKSA-N 1 3 355.438 3.215 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459044 499471152 /nfs/dbraw/zinc/47/11/52/499471152.db2.gz JTPGVIKUXZFLQX-TYCQWZJGSA-N 1 3 369.465 3.128 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459044 499471153 /nfs/dbraw/zinc/47/11/53/499471153.db2.gz JTPGVIKUXZFLQX-TYCQWZJGSA-N 1 3 369.465 3.128 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556440 /nfs/dbraw/zinc/55/64/40/500556440.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 1 3 360.502 3.148 20 5 FGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587670 500629775 /nfs/dbraw/zinc/62/97/75/500629775.db2.gz RRQWULBXEYADCF-FGTMMUONSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587670 500629780 /nfs/dbraw/zinc/62/97/80/500629780.db2.gz RRQWULBXEYADCF-FGTMMUONSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587670 500629782 /nfs/dbraw/zinc/62/97/82/500629782.db2.gz RRQWULBXEYADCF-FGTMMUONSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)[NH+](CCCNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602570660 506220786 /nfs/dbraw/zinc/22/07/86/506220786.db2.gz VFLQPCDQCPHSAH-UHFFFAOYSA-N 1 3 363.506 3.057 20 5 FGBDHO C[NH2+]CC1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000435393851 500967610 /nfs/dbraw/zinc/96/76/10/500967610.db2.gz LEHZVXPGWKUTOL-UHFFFAOYSA-N 1 3 359.426 3.295 20 5 FGBDHO Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167152 498424545 /nfs/dbraw/zinc/42/45/45/498424545.db2.gz LATXJYSGNUKQKG-GJZGRUSLSA-N 1 3 358.442 3.363 20 5 FGBDHO Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167151 498425317 /nfs/dbraw/zinc/42/53/17/498425317.db2.gz LATXJYSGNUKQKG-GASCZTMLSA-N 1 3 358.442 3.363 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC[C@@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000442928470 500648397 /nfs/dbraw/zinc/64/83/97/500648397.db2.gz PLASSGCXMMZQFY-AWEZNQCLSA-N 1 3 359.426 3.424 20 5 FGBDHO Cc1c(NC(=O)CC[N@H+](CCCN)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000489802097 503039225 /nfs/dbraw/zinc/03/92/25/503039225.db2.gz QRAQWPFIUJCNRZ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1c(NC(=O)CC[N@@H+](CCCN)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000489802097 503039227 /nfs/dbraw/zinc/03/92/27/503039227.db2.gz QRAQWPFIUJCNRZ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1c(NC(=O)CCN(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000489802097 503039230 /nfs/dbraw/zinc/03/92/30/503039230.db2.gz QRAQWPFIUJCNRZ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310238 503804401 /nfs/dbraw/zinc/80/44/01/503804401.db2.gz FHPQHYSFBFAUAI-HZPDHXFCSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310238 503804408 /nfs/dbraw/zinc/80/44/08/503804408.db2.gz FHPQHYSFBFAUAI-HZPDHXFCSA-N 1 3 362.474 3.036 20 5 FGBDHO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973811 505564713 /nfs/dbraw/zinc/56/47/13/505564713.db2.gz TWPPIAADHIGKNV-HUUCEWRRSA-N 1 3 373.453 3.398 20 5 FGBDHO O=[N+]([O-])c1ccc(Cl)cc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344618 731345005 /nfs/dbraw/zinc/34/50/05/731345005.db2.gz PJEIVJYMQJNXFS-UHFFFAOYSA-N 1 3 367.877 3.229 20 5 FGBDHO Cc1c(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000072725295 494241843 /nfs/dbraw/zinc/24/18/43/494241843.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1c(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000072725295 494241847 /nfs/dbraw/zinc/24/18/47/494241847.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235967 496716281 /nfs/dbraw/zinc/71/62/81/496716281.db2.gz WFQNRNYCYHKWIJ-HRAATJIYSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235967 496716287 /nfs/dbraw/zinc/71/62/87/496716287.db2.gz WFQNRNYCYHKWIJ-HRAATJIYSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243568 496718575 /nfs/dbraw/zinc/71/85/75/496718575.db2.gz MYKMRCRZJJWLFZ-HRAATJIYSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243568 496718577 /nfs/dbraw/zinc/71/85/77/496718577.db2.gz MYKMRCRZJJWLFZ-HRAATJIYSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273355 496724892 /nfs/dbraw/zinc/72/48/92/496724892.db2.gz PFVJBDDLJSNCSX-LEWJYISDSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273355 496724894 /nfs/dbraw/zinc/72/48/94/496724894.db2.gz PFVJBDDLJSNCSX-LEWJYISDSA-N 1 3 369.465 3.402 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144409 497348203 /nfs/dbraw/zinc/34/82/03/497348203.db2.gz SDAWWEMVHZSHKP-QRWLVFNGSA-N 1 3 373.497 3.408 20 5 FGBDHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447518962 500615984 /nfs/dbraw/zinc/61/59/84/500615984.db2.gz PNBGNRIRRZKFAQ-QZTJIDSGSA-N 1 3 357.458 3.126 20 5 FGBDHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688731 506262040 /nfs/dbraw/zinc/26/20/40/506262040.db2.gz YNUCMXCACIZEHL-JTQLQIEISA-N 1 3 362.293 3.240 20 5 FGBDHO C[N@H+]1CCC[C@@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688731 506262046 /nfs/dbraw/zinc/26/20/46/506262046.db2.gz YNUCMXCACIZEHL-JTQLQIEISA-N 1 3 362.293 3.240 20 5 FGBDHO Cc1c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066158 507374875 /nfs/dbraw/zinc/37/48/75/507374875.db2.gz DAZFJOYZAHPYOG-LPHOPBHVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066158 507374883 /nfs/dbraw/zinc/37/48/83/507374883.db2.gz DAZFJOYZAHPYOG-LPHOPBHVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066159 507375124 /nfs/dbraw/zinc/37/51/24/507375124.db2.gz DAZFJOYZAHPYOG-QFBILLFUSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066159 507375128 /nfs/dbraw/zinc/37/51/28/507375128.db2.gz DAZFJOYZAHPYOG-QFBILLFUSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243593 496718415 /nfs/dbraw/zinc/71/84/15/496718415.db2.gz MYKMRCRZJJWLFZ-IIBYNOLFSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000182243593 496718418 /nfs/dbraw/zinc/71/84/18/496718418.db2.gz MYKMRCRZJJWLFZ-IIBYNOLFSA-N 1 3 369.465 3.402 20 5 FGBDHO C[N@@H+]1CCC[C@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688732 506261300 /nfs/dbraw/zinc/26/13/00/506261300.db2.gz YNUCMXCACIZEHL-SNVBAGLBSA-N 1 3 362.293 3.240 20 5 FGBDHO C[N@H+]1CCC[C@H](CCNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602688732 506261307 /nfs/dbraw/zinc/26/13/07/506261307.db2.gz YNUCMXCACIZEHL-SNVBAGLBSA-N 1 3 362.293 3.240 20 5 FGBDHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482559945 502110675 /nfs/dbraw/zinc/11/06/75/502110675.db2.gz YZAQMRHUGAHIAM-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000468631034 502131397 /nfs/dbraw/zinc/13/13/97/502131397.db2.gz JFXSTBSJFNYKDC-QUHJONEVSA-N 1 3 361.486 3.477 20 5 FGBDHO CCN1CCN(CCCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468634057 502132514 /nfs/dbraw/zinc/13/25/14/502132514.db2.gz ZKAGFVVLYAHXRX-SDXDJHTJSA-N 1 3 360.502 3.005 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000468635563 502132878 /nfs/dbraw/zinc/13/28/78/502132878.db2.gz QSBFFZLHWLDPOQ-MUMAZLPKSA-N 1 3 359.470 3.089 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690481 /nfs/dbraw/zinc/69/04/81/503690481.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690485 /nfs/dbraw/zinc/69/04/85/503690485.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 1 3 362.474 3.036 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595069819 507378115 /nfs/dbraw/zinc/37/81/15/507378115.db2.gz LDXPNUJPGIPLIT-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595069819 507378122 /nfs/dbraw/zinc/37/81/22/507378122.db2.gz LDXPNUJPGIPLIT-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO O=[N+]([O-])c1ccc(OC2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000595885347 507728005 /nfs/dbraw/zinc/72/80/05/507728005.db2.gz MXRWDRPPRSPNEY-UHFFFAOYSA-N 1 3 367.449 3.284 20 5 FGBDHO CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268792235 496787525 /nfs/dbraw/zinc/78/75/25/496787525.db2.gz DSESJMKLQKNUGD-HXUWFJFHSA-N 1 3 362.518 3.443 20 5 FGBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000192767431 497208425 /nfs/dbraw/zinc/20/84/25/497208425.db2.gz GKQNOWKQTVQMMI-GQIGUUNPSA-N 1 3 361.486 3.451 20 5 FGBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000246266908 497678747 /nfs/dbraw/zinc/67/87/47/497678747.db2.gz AGQITXCICOKZQE-RYGJVYDSSA-N 1 3 361.486 3.322 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459039 499471114 /nfs/dbraw/zinc/47/11/14/499471114.db2.gz JTPGVIKUXZFLQX-HBGVWJBISA-N 1 3 369.465 3.128 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459039 499471115 /nfs/dbraw/zinc/47/11/15/499471115.db2.gz JTPGVIKUXZFLQX-HBGVWJBISA-N 1 3 369.465 3.128 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCC2 ZINC000417313189 500037230 /nfs/dbraw/zinc/03/72/30/500037230.db2.gz OYWAMUCDUHJLFK-HRAATJIYSA-N 1 3 373.497 3.453 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185680 502775861 /nfs/dbraw/zinc/77/58/61/502775861.db2.gz DWCKFVPCKWPESJ-IEBWSBKVSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185680 502775867 /nfs/dbraw/zinc/77/58/67/502775867.db2.gz DWCKFVPCKWPESJ-IEBWSBKVSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185679 502776614 /nfs/dbraw/zinc/77/66/14/502776614.db2.gz DWCKFVPCKWPESJ-HKUYNNGSSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185679 502776620 /nfs/dbraw/zinc/77/66/20/502776620.db2.gz DWCKFVPCKWPESJ-HKUYNNGSSA-N 1 3 369.465 3.474 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000540158704 503692868 /nfs/dbraw/zinc/69/28/68/503692868.db2.gz XCTUNJUOJKIBDU-BEVDRBHNSA-N 1 3 361.486 3.322 20 5 FGBDHO CCOc1ccc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567151337 505378614 /nfs/dbraw/zinc/37/86/14/505378614.db2.gz GJXQCRBDECHMEY-CQSZACIVSA-N 1 3 367.515 3.472 20 5 FGBDHO CCOc1ccc([C@@H](C)[NH2+]CC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000567151337 505378618 /nfs/dbraw/zinc/37/86/18/505378618.db2.gz GJXQCRBDECHMEY-CQSZACIVSA-N 1 3 367.515 3.472 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000248830299 497112869 /nfs/dbraw/zinc/11/28/69/497112869.db2.gz HGOMYAKGAUKPJL-NJDAHSKKSA-N 1 3 373.497 3.330 20 5 FGBDHO CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000366887112 499106037 /nfs/dbraw/zinc/10/60/37/499106037.db2.gz UXHUMAYHJZPJGG-UHFFFAOYSA-N 1 3 358.417 3.477 20 5 FGBDHO C[C@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414890511 499842100 /nfs/dbraw/zinc/84/21/00/499842100.db2.gz HKQJQEHELIPECW-OAHLLOKOSA-N 1 3 365.437 3.274 20 5 FGBDHO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(OCCN(C)C)cc1 ZINC000468002374 501926928 /nfs/dbraw/zinc/92/69/28/501926928.db2.gz FCJUSKLXISBPGN-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO CCN1CCN(CCCC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468634056 502132714 /nfs/dbraw/zinc/13/27/14/502132714.db2.gz ZKAGFVVLYAHXRX-OBGWFSINSA-N 1 3 360.502 3.005 20 5 FGBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000592982510 506322236 /nfs/dbraw/zinc/32/22/36/506322236.db2.gz JZNJHOJRGLLYGV-AEFFLSMTSA-N 1 3 370.453 3.256 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000499965029 503523253 /nfs/dbraw/zinc/52/32/53/503523253.db2.gz GRRNMSVIYIDVCC-ZDUSSCGKSA-N 1 3 362.474 3.211 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000499965029 503523255 /nfs/dbraw/zinc/52/32/55/503523255.db2.gz GRRNMSVIYIDVCC-ZDUSSCGKSA-N 1 3 362.474 3.211 20 5 FGBDHO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OCCN(C)C)c1 ZINC000090910017 494503742 /nfs/dbraw/zinc/50/37/42/494503742.db2.gz IGSBRBNDQWCPAR-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO COc1ccc(-c2ccc(CNCC3CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000105458868 495365111 /nfs/dbraw/zinc/36/51/11/495365111.db2.gz CFGDSHNJJUQCMD-UHFFFAOYSA-N 1 3 359.426 3.295 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753418 495710743 /nfs/dbraw/zinc/71/07/43/495710743.db2.gz OHSXWSSOSJCBMY-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753418 495710747 /nfs/dbraw/zinc/71/07/47/495710747.db2.gz OHSXWSSOSJCBMY-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000185753418 495710751 /nfs/dbraw/zinc/71/07/51/495710751.db2.gz OHSXWSSOSJCBMY-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000332403962 498678544 /nfs/dbraw/zinc/67/85/44/498678544.db2.gz WEWISXFNZGXJIL-IRXDYDNUSA-N 1 3 360.502 3.065 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000332403962 498678552 /nfs/dbraw/zinc/67/85/52/498678552.db2.gz WEWISXFNZGXJIL-IRXDYDNUSA-N 1 3 360.502 3.065 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000430208838 500209198 /nfs/dbraw/zinc/20/91/98/500209198.db2.gz PRKGMUGXQGEWHF-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO COCC1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423398582 500370231 /nfs/dbraw/zinc/37/02/31/500370231.db2.gz DCELPYLWMUVXJH-HXUWFJFHSA-N 1 3 369.465 3.290 20 5 FGBDHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979202 500546469 /nfs/dbraw/zinc/54/64/69/500546469.db2.gz KAXOEMJANXVRCI-GOSISDBHSA-N 1 3 374.529 3.456 20 5 FGBDHO CCN1CCC([N@H+]2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979202 500546470 /nfs/dbraw/zinc/54/64/70/500546470.db2.gz KAXOEMJANXVRCI-GOSISDBHSA-N 1 3 374.529 3.456 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979202 500546472 /nfs/dbraw/zinc/54/64/72/500546472.db2.gz KAXOEMJANXVRCI-GOSISDBHSA-N 1 3 374.529 3.456 20 5 FGBDHO CC(C)[NH+](CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447564976 500625759 /nfs/dbraw/zinc/62/57/59/500625759.db2.gz ZWZPJUIENVZYIV-DLBZAZTESA-N 1 3 351.495 3.374 20 5 FGBDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000542702756 504581317 /nfs/dbraw/zinc/58/13/17/504581317.db2.gz SLVSURPSHYOTAW-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000542702756 504581321 /nfs/dbraw/zinc/58/13/21/504581321.db2.gz SLVSURPSHYOTAW-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(SC)CC[NH+](C)CC1 ZINC000595053289 507369374 /nfs/dbraw/zinc/36/93/74/507369374.db2.gz XGZPIIKRLBNUJE-ZDUSSCGKSA-N 1 3 353.488 3.081 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066157 507374344 /nfs/dbraw/zinc/37/43/44/507374344.db2.gz DAZFJOYZAHPYOG-APWZRJJASA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066157 507374353 /nfs/dbraw/zinc/37/43/53/507374353.db2.gz DAZFJOYZAHPYOG-APWZRJJASA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522931 494478662 /nfs/dbraw/zinc/47/86/62/494478662.db2.gz WSRNUBAPNZJMSH-BPAFIMBUSA-N 1 3 361.486 3.322 20 5 FGBDHO CC[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418453 496387412 /nfs/dbraw/zinc/38/74/12/496387412.db2.gz FQUOTRKVIVCPMB-AABGKKOBSA-N 1 3 361.486 3.403 20 5 FGBDHO Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138752 498414533 /nfs/dbraw/zinc/41/45/33/498414533.db2.gz DXJQSBRFPDWMHK-HNNXBMFYSA-N 1 3 370.453 3.141 20 5 FGBDHO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138752 498414541 /nfs/dbraw/zinc/41/45/41/498414541.db2.gz DXJQSBRFPDWMHK-HNNXBMFYSA-N 1 3 370.453 3.141 20 5 FGBDHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397647932 499564610 /nfs/dbraw/zinc/56/46/10/499564610.db2.gz VPUOLOZXDAFYST-KRWDZBQOSA-N 1 3 369.465 3.273 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005744 499565463 /nfs/dbraw/zinc/56/54/63/499565463.db2.gz YUWXETSWLPGYAH-UTKZUKDTSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005744 499565464 /nfs/dbraw/zinc/56/54/64/499565464.db2.gz YUWXETSWLPGYAH-UTKZUKDTSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414872290 499840223 /nfs/dbraw/zinc/84/02/23/499840223.db2.gz FSBHEAROWJXVJU-OAHLLOKOSA-N 1 3 365.437 3.132 20 5 FGBDHO CCN1CCN(CCCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328313 500041143 /nfs/dbraw/zinc/04/11/43/500041143.db2.gz SHGSRUKVRLAUDE-OAQYLSRUSA-N 1 3 374.529 3.370 20 5 FGBDHO [NH3+]C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000420359119 500447300 /nfs/dbraw/zinc/44/73/00/500447300.db2.gz FZASNTKPARGMQS-KRWDZBQOSA-N 1 3 358.442 3.290 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096026 506255020 /nfs/dbraw/zinc/25/50/20/506255020.db2.gz UEUMGBOAEMGVQJ-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096026 506255027 /nfs/dbraw/zinc/25/50/27/506255027.db2.gz UEUMGBOAEMGVQJ-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596096026 506255033 /nfs/dbraw/zinc/25/50/33/506255033.db2.gz UEUMGBOAEMGVQJ-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187283 502777734 /nfs/dbraw/zinc/77/77/34/502777734.db2.gz IUFIXSCCTOHWRF-UTKZUKDTSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187283 502777738 /nfs/dbraw/zinc/77/77/38/502777738.db2.gz IUFIXSCCTOHWRF-UTKZUKDTSA-N 1 3 369.465 3.474 20 5 FGBDHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000552043347 505379942 /nfs/dbraw/zinc/37/99/42/505379942.db2.gz JLFWOPISPMKJKC-UHFFFAOYSA-N 1 3 373.453 3.397 20 5 FGBDHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065313 507375098 /nfs/dbraw/zinc/37/50/98/507375098.db2.gz AACYOYWIKRVWKM-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065313 507375100 /nfs/dbraw/zinc/37/51/00/507375100.db2.gz AACYOYWIKRVWKM-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OCCN(C)C)c1 ZINC000123184924 495093636 /nfs/dbraw/zinc/09/36/36/495093636.db2.gz ITPPIWGMERIERU-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO COCC1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423398581 500370570 /nfs/dbraw/zinc/37/05/70/500370570.db2.gz DCELPYLWMUVXJH-FQEVSTJZSA-N 1 3 369.465 3.290 20 5 FGBDHO CC(C)[NH+](CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447564978 500625820 /nfs/dbraw/zinc/62/58/20/500625820.db2.gz ZWZPJUIENVZYIV-IRXDYDNUSA-N 1 3 351.495 3.374 20 5 FGBDHO COc1ccc(OCCN2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000610368649 507217546 /nfs/dbraw/zinc/21/75/46/507217546.db2.gz PXEDDJUTMIJLIP-UHFFFAOYSA-N 1 3 365.474 3.034 20 5 FGBDHO COc1ccc(OCCN2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000610368649 507217549 /nfs/dbraw/zinc/21/75/49/507217549.db2.gz PXEDDJUTMIJLIP-UHFFFAOYSA-N 1 3 365.474 3.034 20 5 FGBDHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000132780921 494923687 /nfs/dbraw/zinc/92/36/87/494923687.db2.gz HPTUVFJFKRWNBE-MRXNPFEDSA-N 1 3 369.465 3.402 20 5 FGBDHO CN(C)CC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185293341 496725084 /nfs/dbraw/zinc/72/50/84/496725084.db2.gz KYYUFYUPLIOCBU-UHFFFAOYSA-N 1 3 371.485 3.207 20 5 FGBDHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246324880 497696305 /nfs/dbraw/zinc/69/63/05/497696305.db2.gz FQUOTRKVIVCPMB-XUVXKRRUSA-N 1 3 361.486 3.403 20 5 FGBDHO Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138753 498414776 /nfs/dbraw/zinc/41/47/76/498414776.db2.gz DXJQSBRFPDWMHK-OAHLLOKOSA-N 1 3 370.453 3.141 20 5 FGBDHO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138753 498414779 /nfs/dbraw/zinc/41/47/79/498414779.db2.gz DXJQSBRFPDWMHK-OAHLLOKOSA-N 1 3 370.453 3.141 20 5 FGBDHO NC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530702 500383022 /nfs/dbraw/zinc/38/30/22/500383022.db2.gz RSXQYMKXXUYKQU-QPGXLISLSA-N 1 3 373.501 3.018 20 5 FGBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530702 500383023 /nfs/dbraw/zinc/38/30/23/500383023.db2.gz RSXQYMKXXUYKQU-QPGXLISLSA-N 1 3 373.501 3.018 20 5 FGBDHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447531219 500618157 /nfs/dbraw/zinc/61/81/57/500618157.db2.gz QIAGBDBDVDCYHA-QZTJIDSGSA-N 1 3 357.458 3.126 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449253943 500958430 /nfs/dbraw/zinc/95/84/30/500958430.db2.gz VDRCQTQOAOUTJV-MRXNPFEDSA-N 1 3 354.454 3.427 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000468635565 502132645 /nfs/dbraw/zinc/13/26/45/502132645.db2.gz QSBFFZLHWLDPOQ-QMJOVRGKSA-N 1 3 359.470 3.089 20 5 FGBDHO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2ccncc2)CC1 ZINC000501029568 502916236 /nfs/dbraw/zinc/91/62/36/502916236.db2.gz RZMWGOBIEMYTRS-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCN(c2ccncc2)CC1 ZINC000501029568 502916239 /nfs/dbraw/zinc/91/62/39/502916239.db2.gz RZMWGOBIEMYTRS-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802036 /nfs/dbraw/zinc/80/20/36/503802036.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802042 /nfs/dbraw/zinc/80/20/42/503802042.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 1 3 362.474 3.036 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000173635588 495626062 /nfs/dbraw/zinc/62/60/62/495626062.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000173635588 495626063 /nfs/dbraw/zinc/62/60/63/495626063.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000177501786 496087773 /nfs/dbraw/zinc/08/77/73/496087773.db2.gz CSEYQLZDQLNTOJ-IAGOWNOFSA-N 1 3 361.486 3.306 20 5 FGBDHO COc1ccc(-c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917094 505882614 /nfs/dbraw/zinc/88/26/14/505882614.db2.gz RJULFRLOOMGIKV-DOPJRALCSA-N 1 3 371.437 3.423 20 5 FGBDHO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312558336 498761869 /nfs/dbraw/zinc/76/18/69/498761869.db2.gz SMDNXBVQQXWOLQ-IEBWSBKVSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312558336 498761874 /nfs/dbraw/zinc/76/18/74/498761874.db2.gz SMDNXBVQQXWOLQ-IEBWSBKVSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558336 498761877 /nfs/dbraw/zinc/76/18/77/498761877.db2.gz SMDNXBVQQXWOLQ-IEBWSBKVSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000422625800 500283065 /nfs/dbraw/zinc/28/30/65/500283065.db2.gz CMPAEZBEASXOHI-FMKPAKJESA-N 1 3 358.442 3.098 20 5 FGBDHO CC[NH+](CC)CCO[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178790 502697221 /nfs/dbraw/zinc/69/72/21/502697221.db2.gz NZOTXYWCBKROGW-NXNYUAIASA-N 1 3 361.486 3.431 20 5 FGBDHO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973812 505564880 /nfs/dbraw/zinc/56/48/80/505564880.db2.gz TWPPIAADHIGKNV-LSDHHAIUSA-N 1 3 373.453 3.398 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442785 497012433 /nfs/dbraw/zinc/01/24/33/497012433.db2.gz LCHJZWWXZHTJJH-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442785 497012437 /nfs/dbraw/zinc/01/24/37/497012437.db2.gz LCHJZWWXZHTJJH-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414817610 499834393 /nfs/dbraw/zinc/83/43/93/499834393.db2.gz SNSGCMHEWBFLOS-KBPBESRZSA-N 1 3 356.426 3.121 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCC[NH3+])Cc1ccccc1 ZINC000479783600 502377476 /nfs/dbraw/zinc/37/74/76/502377476.db2.gz XUQVLMSTRXDOFU-UHFFFAOYSA-N 1 3 370.453 3.083 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804256 /nfs/dbraw/zinc/80/42/56/503804256.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804263 /nfs/dbraw/zinc/80/42/63/503804263.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 1 3 362.474 3.036 20 5 FGBDHO NC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841039203 730205031 /nfs/dbraw/zinc/20/50/31/730205031.db2.gz FIGVMSGCTXKGRB-AWEZNQCLSA-N 1 3 356.264 3.355 20 5 FGBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523296 494478624 /nfs/dbraw/zinc/47/86/24/494478624.db2.gz AGQITXCICOKZQE-YSSFQJQWSA-N 1 3 361.486 3.322 20 5 FGBDHO O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000577759515 505786754 /nfs/dbraw/zinc/78/67/54/505786754.db2.gz KQSBTBSRUYMZBF-UHFFFAOYSA-N 1 3 367.449 3.284 20 5 FGBDHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418398 496387033 /nfs/dbraw/zinc/38/70/33/496387033.db2.gz FQUOTRKVIVCPMB-ZCNNSNEGSA-N 1 3 361.486 3.403 20 5 FGBDHO CC[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418419 496387544 /nfs/dbraw/zinc/38/75/44/496387544.db2.gz FQUOTRKVIVCPMB-AQNXPRMDSA-N 1 3 361.486 3.403 20 5 FGBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CCCC3)CC2)n1 ZINC000580991761 505885162 /nfs/dbraw/zinc/88/51/62/505885162.db2.gz RBAVBFPCSPVABB-ZWKOTPCHSA-N 1 3 361.490 3.272 20 5 FGBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000580991761 505885165 /nfs/dbraw/zinc/88/51/65/505885165.db2.gz RBAVBFPCSPVABB-ZWKOTPCHSA-N 1 3 361.490 3.272 20 5 FGBDHO CC1(C)C[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144405 497347850 /nfs/dbraw/zinc/34/78/50/497347850.db2.gz SDAWWEMVHZSHKP-FOIQADDNSA-N 1 3 373.497 3.408 20 5 FGBDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414817614 499834489 /nfs/dbraw/zinc/83/44/89/499834489.db2.gz SNSGCMHEWBFLOS-UONOGXRCSA-N 1 3 356.426 3.121 20 5 FGBDHO CN(C)Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447518965 500615928 /nfs/dbraw/zinc/61/59/28/500615928.db2.gz PNBGNRIRRZKFAQ-ZWKOTPCHSA-N 1 3 357.458 3.126 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1OCC[NH+](C)C ZINC000449104905 500926356 /nfs/dbraw/zinc/92/63/56/500926356.db2.gz GUXLRLFHKULSJQ-INIZCTEOSA-N 1 3 357.454 3.256 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1OCCN(C)C ZINC000449104905 500926361 /nfs/dbraw/zinc/92/63/61/500926361.db2.gz GUXLRLFHKULSJQ-INIZCTEOSA-N 1 3 357.454 3.256 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000468651653 502135993 /nfs/dbraw/zinc/13/59/93/502135993.db2.gz MHVWCRURDSTNFS-SAPNQHFASA-N 1 3 372.513 3.146 20 5 FGBDHO CC[N@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554883569 505289018 /nfs/dbraw/zinc/28/90/18/505289018.db2.gz KJERHMGTHICIAN-UHFFFAOYSA-N 1 3 371.485 3.303 20 5 FGBDHO CC[N@@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554883569 505289020 /nfs/dbraw/zinc/28/90/20/505289020.db2.gz KJERHMGTHICIAN-UHFFFAOYSA-N 1 3 371.485 3.303 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000595020007 507356574 /nfs/dbraw/zinc/35/65/74/507356574.db2.gz TZIUDLXSTMZFQR-JYJNAYRXSA-N 1 3 365.474 3.143 20 5 FGBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522932 494478466 /nfs/dbraw/zinc/47/84/66/494478466.db2.gz WSRNUBAPNZJMSH-QSFXBCCZSA-N 1 3 361.486 3.322 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000103143680 495198309 /nfs/dbraw/zinc/19/83/09/495198309.db2.gz QHZVTYNXNAUYTO-UHFFFAOYSA-N 1 3 374.485 3.040 20 5 FGBDHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173393880 496672846 /nfs/dbraw/zinc/67/28/46/496672846.db2.gz BGFTWRUMXNDMLR-MRXNPFEDSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000192767462 497209143 /nfs/dbraw/zinc/20/91/43/497209143.db2.gz GKQNOWKQTVQMMI-JXXFODFXSA-N 1 3 361.486 3.451 20 5 FGBDHO CCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432620 497347599 /nfs/dbraw/zinc/34/75/99/497347599.db2.gz BFALIAKWHSUMJE-XUVXKRRUSA-N 1 3 361.486 3.403 20 5 FGBDHO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312558335 498761641 /nfs/dbraw/zinc/76/16/41/498761641.db2.gz SMDNXBVQQXWOLQ-HKUYNNGSSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312558335 498761645 /nfs/dbraw/zinc/76/16/45/498761645.db2.gz SMDNXBVQQXWOLQ-HKUYNNGSSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558335 498761650 /nfs/dbraw/zinc/76/16/50/498761650.db2.gz SMDNXBVQQXWOLQ-HKUYNNGSSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459036 499471046 /nfs/dbraw/zinc/47/10/46/499471046.db2.gz JTPGVIKUXZFLQX-CZAAIQMYSA-N 1 3 369.465 3.128 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459036 499471047 /nfs/dbraw/zinc/47/10/47/499471047.db2.gz JTPGVIKUXZFLQX-CZAAIQMYSA-N 1 3 369.465 3.128 20 5 FGBDHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545912 /nfs/dbraw/zinc/54/59/12/500545912.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 1 3 360.502 3.148 20 5 FGBDHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545916 /nfs/dbraw/zinc/54/59/16/500545916.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 1 3 360.502 3.148 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976253 500545918 /nfs/dbraw/zinc/54/59/18/500545918.db2.gz GOVZYALHHUJNQI-KRWDZBQOSA-N 1 3 360.502 3.148 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000468739015 502166436 /nfs/dbraw/zinc/16/64/36/502166436.db2.gz JTLNYCCFNWCULK-IDBNTSCLSA-N 1 3 373.497 3.356 20 5 FGBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2ccncc2)CC1 ZINC000501030902 502917297 /nfs/dbraw/zinc/91/72/97/502917297.db2.gz XTCAIQHGGAHPBW-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCN(c2ccncc2)CC1 ZINC000501030902 502917301 /nfs/dbraw/zinc/91/73/01/502917301.db2.gz XTCAIQHGGAHPBW-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595069824 507378264 /nfs/dbraw/zinc/37/82/64/507378264.db2.gz LDXPNUJPGIPLIT-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595069824 507378270 /nfs/dbraw/zinc/37/82/70/507378270.db2.gz LDXPNUJPGIPLIT-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO O=[N+]([O-])c1ccc(Cl)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000850344620 731345031 /nfs/dbraw/zinc/34/50/31/731345031.db2.gz PNMCWSVXLUVOGJ-UHFFFAOYSA-N 1 3 367.877 3.229 20 5 FGBDHO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000090522925 494478489 /nfs/dbraw/zinc/47/84/89/494478489.db2.gz WSRNUBAPNZJMSH-ZTNFWEORSA-N 1 3 361.486 3.322 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000173638282 495627231 /nfs/dbraw/zinc/62/72/31/495627231.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000173638282 495627232 /nfs/dbraw/zinc/62/72/32/495627232.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698463 495685820 /nfs/dbraw/zinc/68/58/20/495685820.db2.gz UXRXVIGGBBWXFS-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698463 495685825 /nfs/dbraw/zinc/68/58/25/495685825.db2.gz UXRXVIGGBBWXFS-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185698463 495685832 /nfs/dbraw/zinc/68/58/32/495685832.db2.gz UXRXVIGGBBWXFS-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446433 497014171 /nfs/dbraw/zinc/01/41/71/497014171.db2.gz MYKMRCRZJJWLFZ-KKSFZXQISA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446433 497014177 /nfs/dbraw/zinc/01/41/77/497014177.db2.gz MYKMRCRZJJWLFZ-KKSFZXQISA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005745 499565847 /nfs/dbraw/zinc/56/58/47/499565847.db2.gz YUWXETSWLPGYAH-UWJYYQICSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005745 499565848 /nfs/dbraw/zinc/56/58/48/499565848.db2.gz YUWXETSWLPGYAH-UWJYYQICSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579157 500386285 /nfs/dbraw/zinc/38/62/85/500386285.db2.gz VUINHNYLPNROIV-QGZVFWFLSA-N 1 3 368.481 3.239 20 5 FGBDHO CC(C)[NH+](CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447564977 500625473 /nfs/dbraw/zinc/62/54/73/500625473.db2.gz ZWZPJUIENVZYIV-IAGOWNOFSA-N 1 3 351.495 3.374 20 5 FGBDHO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000602708650 506267810 /nfs/dbraw/zinc/26/78/10/506267810.db2.gz OMAQQQNDJVDLGH-UHFFFAOYSA-N 1 3 354.454 3.034 20 5 FGBDHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193220 503467479 /nfs/dbraw/zinc/46/74/79/503467479.db2.gz IAGJKJVYTLLJGD-ZYSHUDEJSA-N 1 3 361.486 3.309 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689405 /nfs/dbraw/zinc/68/94/05/503689405.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689411 /nfs/dbraw/zinc/68/94/11/503689411.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 1 3 362.474 3.036 20 5 FGBDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591347930 507213793 /nfs/dbraw/zinc/21/37/93/507213793.db2.gz FJHHNDURMKKUGE-UWJYYQICSA-N 1 3 372.513 3.120 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000183304778 495923726 /nfs/dbraw/zinc/92/37/26/495923726.db2.gz AFBPULVSLLKQMU-IAGOWNOFSA-N 1 3 361.486 3.224 20 5 FGBDHO CN(C)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098868 497740710 /nfs/dbraw/zinc/74/07/10/497740710.db2.gz GIKGYBCXBVALFN-MRXNPFEDSA-N 1 3 358.442 3.208 20 5 FGBDHO CN(C)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098868 497740716 /nfs/dbraw/zinc/74/07/16/497740716.db2.gz GIKGYBCXBVALFN-MRXNPFEDSA-N 1 3 358.442 3.208 20 5 FGBDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414817615 499834446 /nfs/dbraw/zinc/83/44/46/499834446.db2.gz SNSGCMHEWBFLOS-ZIAGYGMSSA-N 1 3 356.426 3.121 20 5 FGBDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000423296775 500362627 /nfs/dbraw/zinc/36/26/27/500362627.db2.gz ZTYRMCMPAWMAFS-ZIAGYGMSSA-N 1 3 356.426 3.121 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294071 500663557 /nfs/dbraw/zinc/66/35/57/500663557.db2.gz JOBTWSBSHDEHNL-ZCNNSNEGSA-N 1 3 373.497 3.285 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096027 506255822 /nfs/dbraw/zinc/25/58/22/506255822.db2.gz UEUMGBOAEMGVQJ-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096027 506255824 /nfs/dbraw/zinc/25/58/24/506255824.db2.gz UEUMGBOAEMGVQJ-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596096027 506255830 /nfs/dbraw/zinc/25/58/30/506255830.db2.gz UEUMGBOAEMGVQJ-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000602782620 506296878 /nfs/dbraw/zinc/29/68/78/506296878.db2.gz DWCHFSJSYHKVPA-MRXNPFEDSA-N 1 3 363.506 3.076 20 5 FGBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000602782620 506296883 /nfs/dbraw/zinc/29/68/83/506296883.db2.gz DWCHFSJSYHKVPA-MRXNPFEDSA-N 1 3 363.506 3.076 20 5 FGBDHO Cc1c(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000103143688 495198387 /nfs/dbraw/zinc/19/83/87/495198387.db2.gz VNKAULFFMMLLJQ-UHFFFAOYSA-N 1 3 374.485 3.040 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753436 495710984 /nfs/dbraw/zinc/71/09/84/495710984.db2.gz OHSXWSSOSJCBMY-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753436 495710990 /nfs/dbraw/zinc/71/09/90/495710990.db2.gz OHSXWSSOSJCBMY-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000185753436 495710995 /nfs/dbraw/zinc/71/09/95/495710995.db2.gz OHSXWSSOSJCBMY-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644421 496084003 /nfs/dbraw/zinc/08/40/03/496084003.db2.gz LCHJZWWXZHTJJH-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644421 496084005 /nfs/dbraw/zinc/08/40/05/496084005.db2.gz LCHJZWWXZHTJJH-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644441 496084797 /nfs/dbraw/zinc/08/47/97/496084797.db2.gz LCHJZWWXZHTJJH-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000180644441 496084804 /nfs/dbraw/zinc/08/48/04/496084804.db2.gz LCHJZWWXZHTJJH-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173393868 496673010 /nfs/dbraw/zinc/67/30/10/496673010.db2.gz BGFTWRUMXNDMLR-INIZCTEOSA-N 1 3 369.465 3.402 20 5 FGBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000246554269 497772913 /nfs/dbraw/zinc/77/29/13/497772913.db2.gz WSRNUBAPNZJMSH-QKYXUNIQSA-N 1 3 361.486 3.322 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332403957 498678768 /nfs/dbraw/zinc/67/87/68/498678768.db2.gz WEWISXFNZGXJIL-IAGOWNOFSA-N 1 3 360.502 3.065 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332403957 498678777 /nfs/dbraw/zinc/67/87/77/498678777.db2.gz WEWISXFNZGXJIL-IAGOWNOFSA-N 1 3 360.502 3.065 20 5 FGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368331957 499285927 /nfs/dbraw/zinc/28/59/27/499285927.db2.gz LNJLHWPNFUWBHR-KRWDZBQOSA-N 1 3 360.502 3.005 20 5 FGBDHO CC[NH+]1CCC(N2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032826 /nfs/dbraw/zinc/03/28/26/500032826.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 1 3 372.513 3.100 20 5 FGBDHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336403 500043217 /nfs/dbraw/zinc/04/32/17/500043217.db2.gz VEOGWWUBXKFSQW-OXJNMPFZSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336403 500043219 /nfs/dbraw/zinc/04/32/19/500043219.db2.gz VEOGWWUBXKFSQW-OXJNMPFZSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCCN(C)C)cc1 ZINC000123132165 495085262 /nfs/dbraw/zinc/08/52/62/495085262.db2.gz SCAMJSVGKXVLNA-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803850 /nfs/dbraw/zinc/80/38/50/503803850.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803856 /nfs/dbraw/zinc/80/38/56/503803856.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 1 3 362.474 3.036 20 5 FGBDHO CN1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000565218063 504827794 /nfs/dbraw/zinc/82/77/94/504827794.db2.gz OHNIBBAQQCKOER-IBGZPJMESA-N 1 3 372.513 3.122 20 5 FGBDHO O=[N+]([O-])c1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000595908750 507736784 /nfs/dbraw/zinc/73/67/84/507736784.db2.gz PVFLCVLMOOKIAW-UHFFFAOYSA-N 1 3 369.469 3.165 20 5 FGBDHO O=[N+]([O-])c1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000595908750 507736789 /nfs/dbraw/zinc/73/67/89/507736789.db2.gz PVFLCVLMOOKIAW-UHFFFAOYSA-N 1 3 369.469 3.165 20 5 FGBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000285464414 498094955 /nfs/dbraw/zinc/09/49/55/498094955.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 1 3 370.453 3.349 20 5 FGBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000285464414 498094946 /nfs/dbraw/zinc/09/49/46/498094946.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 1 3 370.453 3.349 20 5 FGBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464828542 502108999 /nfs/dbraw/zinc/10/89/99/502108999.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464828542 502109002 /nfs/dbraw/zinc/10/90/02/502109002.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO CC(C)c1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415131565 499867966 /nfs/dbraw/zinc/86/79/66/499867966.db2.gz ZLEQDXNYPZWGNQ-YLJYHZDGSA-N 1 3 361.486 3.437 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096028 506255637 /nfs/dbraw/zinc/25/56/37/506255637.db2.gz UEUMGBOAEMGVQJ-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096028 506255641 /nfs/dbraw/zinc/25/56/41/506255641.db2.gz UEUMGBOAEMGVQJ-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596096028 506255649 /nfs/dbraw/zinc/25/56/49/506255649.db2.gz UEUMGBOAEMGVQJ-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000468739021 502165745 /nfs/dbraw/zinc/16/57/45/502165745.db2.gz JTLNYCCFNWCULK-VTBNQREVSA-N 1 3 373.497 3.356 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCC[NH3+])Cc1ccccc1 ZINC000479765787 502370763 /nfs/dbraw/zinc/37/07/63/502370763.db2.gz JWGZDFQMDUSGCX-UHFFFAOYSA-N 1 3 370.453 3.083 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594968050 507336731 /nfs/dbraw/zinc/33/67/31/507336731.db2.gz DFUGLFJQKRKMSU-UHFFFAOYSA-N 1 3 354.454 3.300 20 5 FGBDHO COc1c(O)ccc(CNCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892881820 740054463 /nfs/dbraw/zinc/05/44/63/740054463.db2.gz GDCSLPZFCCIJDR-UHFFFAOYSA-N 1 3 351.447 3.055 20 5 FGBDHO COc1c([O-])ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892881820 740054465 /nfs/dbraw/zinc/05/44/65/740054465.db2.gz GDCSLPZFCCIJDR-UHFFFAOYSA-N 1 3 351.447 3.055 20 5 FGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000332101045 498562103 /nfs/dbraw/zinc/56/21/03/498562103.db2.gz FDOWBKRVNSHTIC-KRWDZBQOSA-N 1 3 360.502 3.005 20 5 FGBDHO COc1ccc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000377699939 499722198 /nfs/dbraw/zinc/72/21/98/499722198.db2.gz QZLPOOLNNOWKQX-UHFFFAOYSA-N 1 3 356.426 3.099 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294068 500664017 /nfs/dbraw/zinc/66/40/17/500664017.db2.gz JOBTWSBSHDEHNL-SLFFLAALSA-N 1 3 373.497 3.285 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467868302 501894562 /nfs/dbraw/zinc/89/45/62/501894562.db2.gz RQSOSVFTCHKNSQ-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000594999980 507348407 /nfs/dbraw/zinc/34/84/07/507348407.db2.gz AKYYAJHZHZPUAZ-UHFFFAOYSA-N 1 3 369.412 3.408 20 5 FGBDHO COc1ccc(-c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917096 505883006 /nfs/dbraw/zinc/88/30/06/505883006.db2.gz RJULFRLOOMGIKV-MORSLUCNSA-N 1 3 371.437 3.423 20 5 FGBDHO CC1(C)C[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144407 497347990 /nfs/dbraw/zinc/34/79/90/497347990.db2.gz SDAWWEMVHZSHKP-MGPUTAFESA-N 1 3 373.497 3.408 20 5 FGBDHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000578323306 505914411 /nfs/dbraw/zinc/91/44/11/505914411.db2.gz CRAMWFSANWHSEM-GJZGRUSLSA-N 1 3 373.453 3.398 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414817613 499834286 /nfs/dbraw/zinc/83/42/86/499834286.db2.gz SNSGCMHEWBFLOS-KGLIPLIRSA-N 1 3 356.426 3.121 20 5 FGBDHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979205 500546692 /nfs/dbraw/zinc/54/66/92/500546692.db2.gz KAXOEMJANXVRCI-SFHVURJKSA-N 1 3 374.529 3.456 20 5 FGBDHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979205 500546694 /nfs/dbraw/zinc/54/66/94/500546694.db2.gz KAXOEMJANXVRCI-SFHVURJKSA-N 1 3 374.529 3.456 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000420979205 500546695 /nfs/dbraw/zinc/54/66/95/500546695.db2.gz KAXOEMJANXVRCI-SFHVURJKSA-N 1 3 374.529 3.456 20 5 FGBDHO CC(C)[NH+](CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447564979 500625802 /nfs/dbraw/zinc/62/58/02/500625802.db2.gz ZWZPJUIENVZYIV-SJORKVTESA-N 1 3 351.495 3.374 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096025 506255520 /nfs/dbraw/zinc/25/55/20/506255520.db2.gz UEUMGBOAEMGVQJ-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096025 506255525 /nfs/dbraw/zinc/25/55/25/506255525.db2.gz UEUMGBOAEMGVQJ-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596096025 506255533 /nfs/dbraw/zinc/25/55/33/506255533.db2.gz UEUMGBOAEMGVQJ-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477940681 501835611 /nfs/dbraw/zinc/83/56/11/501835611.db2.gz RQVHCJQPZWDDBD-OAHLLOKOSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477940681 501835616 /nfs/dbraw/zinc/83/56/16/501835616.db2.gz RQVHCJQPZWDDBD-OAHLLOKOSA-N 1 3 362.474 3.024 20 5 FGBDHO Cc1c(NC(=O)CCN(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479768058 502372033 /nfs/dbraw/zinc/37/20/33/502372033.db2.gz CCYMHTMVPYCLSN-UHFFFAOYSA-N 1 3 370.453 3.083 20 5 FGBDHO COc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000501083881 502932091 /nfs/dbraw/zinc/93/20/91/502932091.db2.gz VOEBJBREBHQVSF-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO COc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000501083881 502932095 /nfs/dbraw/zinc/93/20/95/502932095.db2.gz VOEBJBREBHQVSF-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193214 503467059 /nfs/dbraw/zinc/46/70/59/503467059.db2.gz IAGJKJVYTLLJGD-AYOQOUSVSA-N 1 3 361.486 3.309 20 5 FGBDHO CN1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000565218065 504828098 /nfs/dbraw/zinc/82/80/98/504828098.db2.gz OHNIBBAQQCKOER-LJQANCHMSA-N 1 3 372.513 3.122 20 5 FGBDHO O=[N+]([O-])c1ccccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906912 507737530 /nfs/dbraw/zinc/73/75/30/507737530.db2.gz CKCCIBDFLAPKKA-UHFFFAOYSA-N 1 3 369.469 3.165 20 5 FGBDHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181418434 496386715 /nfs/dbraw/zinc/38/67/15/496386715.db2.gz FQUOTRKVIVCPMB-UFYCRDLUSA-N 1 3 361.486 3.403 20 5 FGBDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335275 496648491 /nfs/dbraw/zinc/64/84/91/496648491.db2.gz OZFVMFCXQRUFDI-QGZVFWFLSA-N 1 3 368.481 3.193 20 5 FGBDHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273331 496724660 /nfs/dbraw/zinc/72/46/60/496724660.db2.gz PFVJBDDLJSNCSX-SFTDATJTSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182273331 496724662 /nfs/dbraw/zinc/72/46/62/496724662.db2.gz PFVJBDDLJSNCSX-SFTDATJTSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442787 497012754 /nfs/dbraw/zinc/01/27/54/497012754.db2.gz LCHJZWWXZHTJJH-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248442787 497012755 /nfs/dbraw/zinc/01/27/55/497012755.db2.gz LCHJZWWXZHTJJH-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454082 497018068 /nfs/dbraw/zinc/01/80/68/497018068.db2.gz QVBMEMZSQNZYDP-VQIMIIECSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454082 497018070 /nfs/dbraw/zinc/01/80/70/497018070.db2.gz QVBMEMZSQNZYDP-VQIMIIECSA-N 1 3 369.465 3.321 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000248830303 497112699 /nfs/dbraw/zinc/11/26/99/497112699.db2.gz HGOMYAKGAUKPJL-QHAWAJNXSA-N 1 3 373.497 3.330 20 5 FGBDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000371158268 499294676 /nfs/dbraw/zinc/29/46/76/499294676.db2.gz RNTAKTDINJZAEU-UHFFFAOYSA-N 1 3 374.529 3.223 20 5 FGBDHO C[C@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414807702 499833308 /nfs/dbraw/zinc/83/33/08/499833308.db2.gz JHIXZDPXPZGGCJ-AWEZNQCLSA-N 1 3 365.437 3.305 20 5 FGBDHO C[C@@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414890507 499842140 /nfs/dbraw/zinc/84/21/40/499842140.db2.gz HKQJQEHELIPECW-HNNXBMFYSA-N 1 3 365.437 3.274 20 5 FGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587672 500630080 /nfs/dbraw/zinc/63/00/80/500630080.db2.gz RRQWULBXEYADCF-KZNAEPCWSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587672 500630083 /nfs/dbraw/zinc/63/00/83/500630083.db2.gz RRQWULBXEYADCF-KZNAEPCWSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587672 500630086 /nfs/dbraw/zinc/63/00/86/500630086.db2.gz RRQWULBXEYADCF-KZNAEPCWSA-N 1 3 363.506 3.233 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541915467 504301074 /nfs/dbraw/zinc/30/10/74/504301074.db2.gz NEVYRDFTGVXIJJ-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915467 504301079 /nfs/dbraw/zinc/30/10/79/504301079.db2.gz NEVYRDFTGVXIJJ-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCCN(C)C)cc1 ZINC000123131954 495085582 /nfs/dbraw/zinc/08/55/82/495085582.db2.gz SCAMJSVGKXVLNA-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO CCN1CCN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279000731 497298178 /nfs/dbraw/zinc/29/81/78/497298178.db2.gz FUTJYGMBEPHYFL-HXUWFJFHSA-N 1 3 374.529 3.325 20 5 FGBDHO C[C@@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414807704 499833299 /nfs/dbraw/zinc/83/32/99/499833299.db2.gz JHIXZDPXPZGGCJ-CQSZACIVSA-N 1 3 365.437 3.305 20 5 FGBDHO C[NH+](C)C1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602695587 506264717 /nfs/dbraw/zinc/26/47/17/506264717.db2.gz AWQKIDUHWCQZGF-UHFFFAOYSA-N 1 3 362.293 3.381 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000468635562 502132675 /nfs/dbraw/zinc/13/26/75/502132675.db2.gz QSBFFZLHWLDPOQ-FYXHJSOBSA-N 1 3 359.470 3.089 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185682 502777368 /nfs/dbraw/zinc/77/73/68/502777368.db2.gz DWCKFVPCKWPESJ-MJGOQNOKSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185682 502777372 /nfs/dbraw/zinc/77/73/72/502777372.db2.gz DWCKFVPCKWPESJ-MJGOQNOKSA-N 1 3 369.465 3.474 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850696 /nfs/dbraw/zinc/85/06/96/503850696.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850700 /nfs/dbraw/zinc/85/07/00/503850700.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 1 3 362.474 3.036 20 5 FGBDHO O=C(CC[NH2+]C1CCN(C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000567684467 505536062 /nfs/dbraw/zinc/53/60/62/505536062.db2.gz JMKKZUCIXUCKOO-UHFFFAOYSA-N 1 3 374.485 3.310 20 5 FGBDHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593318990 506535461 /nfs/dbraw/zinc/53/54/61/506535461.db2.gz SYGNMJJXBYMEGO-UHFFFAOYSA-N 1 3 365.437 3.005 20 5 FGBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595070598 507377399 /nfs/dbraw/zinc/37/73/99/507377399.db2.gz WEIWODNKGKQKNE-HXUWFJFHSA-N 1 3 366.465 3.479 20 5 FGBDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000579969881 505654669 /nfs/dbraw/zinc/65/46/69/505654669.db2.gz SDUYQEJOCNFYCQ-UHFFFAOYSA-N 1 3 374.485 3.038 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000173638302 495626630 /nfs/dbraw/zinc/62/66/30/495626630.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000173638302 495626633 /nfs/dbraw/zinc/62/66/33/495626633.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460115 497018779 /nfs/dbraw/zinc/01/87/79/497018779.db2.gz WFQNRNYCYHKWIJ-IERDGZPVSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460115 497018782 /nfs/dbraw/zinc/01/87/82/497018782.db2.gz WFQNRNYCYHKWIJ-IERDGZPVSA-N 1 3 369.465 3.402 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000193028341 497279779 /nfs/dbraw/zinc/27/97/79/497279779.db2.gz HGOMYAKGAUKPJL-NJYVYQBISA-N 1 3 373.497 3.330 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414526834 499803213 /nfs/dbraw/zinc/80/32/13/499803213.db2.gz PRQWJAFUGXNMHR-UHFFFAOYSA-N 1 3 369.465 3.020 20 5 FGBDHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423579150 500386417 /nfs/dbraw/zinc/38/64/17/500386417.db2.gz VUINHNYLPNROIV-KRWDZBQOSA-N 1 3 368.481 3.239 20 5 FGBDHO [NH3+]C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000420359120 500446988 /nfs/dbraw/zinc/44/69/88/500446988.db2.gz FZASNTKPARGMQS-QGZVFWFLSA-N 1 3 358.442 3.290 20 5 FGBDHO CC[NH+](CC)CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441192758 501101260 /nfs/dbraw/zinc/10/12/60/501101260.db2.gz YDDFUHHVOAEJKU-UHFFFAOYSA-N 1 3 365.474 3.036 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000468739019 502165881 /nfs/dbraw/zinc/16/58/81/502165881.db2.gz JTLNYCCFNWCULK-UZAOCVSLSA-N 1 3 373.497 3.356 20 5 FGBDHO [NH3+]CCCOC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000469851089 502568201 /nfs/dbraw/zinc/56/82/01/502568201.db2.gz JSVJKIZFIUGILN-UHFFFAOYSA-N 1 3 359.426 3.185 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000540158708 503692970 /nfs/dbraw/zinc/69/29/70/503692970.db2.gz XCTUNJUOJKIBDU-RYGJVYDSSA-N 1 3 361.486 3.322 20 5 FGBDHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973808 505564775 /nfs/dbraw/zinc/56/47/75/505564775.db2.gz TWPPIAADHIGKNV-CABCVRRESA-N 1 3 373.453 3.398 20 5 FGBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196644 506480084 /nfs/dbraw/zinc/48/00/84/506480084.db2.gz PVJCHLNNLDIGNF-QGZVFWFLSA-N 1 3 368.909 3.096 20 5 FGBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196644 506480089 /nfs/dbraw/zinc/48/00/89/506480089.db2.gz PVJCHLNNLDIGNF-QGZVFWFLSA-N 1 3 368.909 3.096 20 5 FGBDHO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000594969133 507336033 /nfs/dbraw/zinc/33/60/33/507336033.db2.gz MRLMTRUWMYLXRF-UHFFFAOYSA-N 1 3 358.417 3.131 20 5 FGBDHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000594969525 507336830 /nfs/dbraw/zinc/33/68/30/507336830.db2.gz QCZYSJRIESHVHC-UHFFFAOYSA-N 1 3 370.453 3.000 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065315 507375028 /nfs/dbraw/zinc/37/50/28/507375028.db2.gz AACYOYWIKRVWKM-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065315 507375036 /nfs/dbraw/zinc/37/50/36/507375036.db2.gz AACYOYWIKRVWKM-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO COc1c(O)ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892584005 740019990 /nfs/dbraw/zinc/01/99/90/740019990.db2.gz GIKBUAOIHCYURQ-CQSZACIVSA-N 1 3 351.447 3.053 20 5 FGBDHO COc1c(O)ccc(CNCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892584005 740019998 /nfs/dbraw/zinc/01/99/98/740019998.db2.gz GIKBUAOIHCYURQ-CQSZACIVSA-N 1 3 351.447 3.053 20 5 FGBDHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126731388 494828264 /nfs/dbraw/zinc/82/82/64/494828264.db2.gz HXMHZRDYEAOQHV-QGZVFWFLSA-N 1 3 368.481 3.193 20 5 FGBDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000109787371 494917743 /nfs/dbraw/zinc/91/77/43/494917743.db2.gz DRIGONHKMJHKFP-UHFFFAOYSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264704 496723533 /nfs/dbraw/zinc/72/35/33/496723533.db2.gz AADGBAVSVWBNJR-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264704 496723536 /nfs/dbraw/zinc/72/35/36/496723536.db2.gz AADGBAVSVWBNJR-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO COc1ccc(-c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917097 505882731 /nfs/dbraw/zinc/88/27/31/505882731.db2.gz RJULFRLOOMGIKV-VHSSKADRSA-N 1 3 371.437 3.423 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459041 499471126 /nfs/dbraw/zinc/47/11/26/499471126.db2.gz JTPGVIKUXZFLQX-MAODMQOUSA-N 1 3 369.465 3.128 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459041 499471127 /nfs/dbraw/zinc/47/11/27/499471127.db2.gz JTPGVIKUXZFLQX-MAODMQOUSA-N 1 3 369.465 3.128 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCC2 ZINC000417313192 500037300 /nfs/dbraw/zinc/03/73/00/500037300.db2.gz OYWAMUCDUHJLFK-KKSFZXQISA-N 1 3 373.497 3.453 20 5 FGBDHO O=[N+]([O-])c1ccc2oc(CNCC3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000602581405 506222784 /nfs/dbraw/zinc/22/27/84/506222784.db2.gz JQTJUSUGYNRENS-UHFFFAOYSA-N 1 3 367.409 3.137 20 5 FGBDHO C[N@H+](CCCCNCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602689964 506262395 /nfs/dbraw/zinc/26/23/95/506262395.db2.gz ZUOQOOVNCJYIJO-UHFFFAOYSA-N 1 3 362.293 3.383 20 5 FGBDHO C[N@@H+](CCCCNCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602689964 506262402 /nfs/dbraw/zinc/26/24/02/506262402.db2.gz ZUOQOOVNCJYIJO-UHFFFAOYSA-N 1 3 362.293 3.383 20 5 FGBDHO CC[NH+](CC)CCO[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178791 502697234 /nfs/dbraw/zinc/69/72/34/502697234.db2.gz NZOTXYWCBKROGW-QUHSPFQSSA-N 1 3 361.486 3.431 20 5 FGBDHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514826694 503202123 /nfs/dbraw/zinc/20/21/23/503202123.db2.gz PROZAPSLQWYSRA-FQEVSTJZSA-N 1 3 369.465 3.355 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068553 507378001 /nfs/dbraw/zinc/37/80/01/507378001.db2.gz JAYYBAXXSDXJEY-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068553 507378006 /nfs/dbraw/zinc/37/80/06/507378006.db2.gz JAYYBAXXSDXJEY-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000109893315 494930419 /nfs/dbraw/zinc/93/04/19/494930419.db2.gz XORRLSWLQMDYBA-UHFFFAOYSA-N 1 3 362.474 3.036 20 5 FGBDHO C[C@H]1C[NH+](CCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177501774 496087786 /nfs/dbraw/zinc/08/77/86/496087786.db2.gz CSEYQLZDQLNTOJ-IRXDYDNUSA-N 1 3 361.486 3.306 20 5 FGBDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335264 496648631 /nfs/dbraw/zinc/64/86/31/496648631.db2.gz OZFVMFCXQRUFDI-KRWDZBQOSA-N 1 3 368.481 3.193 20 5 FGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247102155 496779265 /nfs/dbraw/zinc/77/92/65/496779265.db2.gz SKDKPFLFXCPWNW-KZNAEPCWSA-N 1 3 363.502 3.395 20 5 FGBDHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000578323305 505914880 /nfs/dbraw/zinc/91/48/80/505914880.db2.gz CRAMWFSANWHSEM-CABCVRRESA-N 1 3 373.453 3.398 20 5 FGBDHO CN(C)Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447518964 500615813 /nfs/dbraw/zinc/61/58/13/500615813.db2.gz PNBGNRIRRZKFAQ-ROUUACIJSA-N 1 3 357.458 3.126 20 5 FGBDHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447531218 500617804 /nfs/dbraw/zinc/61/78/04/500617804.db2.gz QIAGBDBDVDCYHA-MSOLQXFVSA-N 1 3 357.458 3.126 20 5 FGBDHO CN(Cc1ccc([N+](=O)[O-])cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067302 502926446 /nfs/dbraw/zinc/92/64/46/502926446.db2.gz HXHQNSPSZCVXQP-UHFFFAOYSA-N 1 3 358.417 3.477 20 5 FGBDHO CC(C)c1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314321 506533187 /nfs/dbraw/zinc/53/31/87/506533187.db2.gz CGFUATOOQSXZKW-QKLQHJQFSA-N 1 3 361.486 3.437 20 5 FGBDHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712761 507076843 /nfs/dbraw/zinc/07/68/43/507076843.db2.gz XXQORSFNAPBIFG-CYBMUJFWSA-N 1 3 361.467 3.482 20 5 FGBDHO CCOc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000602018416 507556516 /nfs/dbraw/zinc/55/65/16/507556516.db2.gz BKFZFVOKOULZQM-CQSZACIVSA-N 1 3 355.438 3.490 20 5 FGBDHO CC[NH+]1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602548828 507746516 /nfs/dbraw/zinc/74/65/16/507746516.db2.gz FUXPNIBZIKEMRF-UHFFFAOYSA-N 1 3 362.293 3.240 20 5 FGBDHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397647936 499564605 /nfs/dbraw/zinc/56/46/05/499564605.db2.gz VPUOLOZXDAFYST-QGZVFWFLSA-N 1 3 369.465 3.273 20 5 FGBDHO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCOCC2 ZINC000570718714 506215078 /nfs/dbraw/zinc/21/50/78/506215078.db2.gz ABGNJSSXSORMRY-MRXNPFEDSA-N 1 3 371.437 3.042 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000468739017 502165971 /nfs/dbraw/zinc/16/59/71/502165971.db2.gz JTLNYCCFNWCULK-NQCYKCSBSA-N 1 3 373.497 3.356 20 5 FGBDHO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(c4ccncc4)CC3)c2c1 ZINC000590966731 507064446 /nfs/dbraw/zinc/06/44/46/507064446.db2.gz SOKGWOUZWACWSX-UHFFFAOYSA-N 1 3 365.437 3.272 20 5 FGBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000895311193 742397021 /nfs/dbraw/zinc/39/70/21/742397021.db2.gz XQQCTJZERQUOIU-UHFFFAOYSA-N 1 3 367.877 3.229 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261444 496722194 /nfs/dbraw/zinc/72/21/94/496722194.db2.gz UFDKXRBPICRMSF-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261444 496722197 /nfs/dbraw/zinc/72/21/97/496722197.db2.gz UFDKXRBPICRMSF-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427230 497007658 /nfs/dbraw/zinc/00/76/58/497007658.db2.gz AADGBAVSVWBNJR-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427230 497007661 /nfs/dbraw/zinc/00/76/61/497007661.db2.gz AADGBAVSVWBNJR-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO COc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919710 497246119 /nfs/dbraw/zinc/24/61/19/497246119.db2.gz XNYRXEDNUHQCKG-GOSISDBHSA-N 1 3 355.438 3.215 20 5 FGBDHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545591 /nfs/dbraw/zinc/54/55/91/500545591.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 1 3 360.502 3.148 20 5 FGBDHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545593 /nfs/dbraw/zinc/54/55/93/500545593.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 1 3 360.502 3.148 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420976257 500545597 /nfs/dbraw/zinc/54/55/97/500545597.db2.gz GOVZYALHHUJNQI-QGZVFWFLSA-N 1 3 360.502 3.148 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000449088543 500922483 /nfs/dbraw/zinc/92/24/83/500922483.db2.gz HXRLZRYVNPRNNI-MRXNPFEDSA-N 1 3 357.454 3.256 20 5 FGBDHO Cn1cc(CN(CCC[NH3+])CC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489978300 503080957 /nfs/dbraw/zinc/08/09/57/503080957.db2.gz MMGBUAJCVKSPNN-UHFFFAOYSA-N 1 3 371.485 3.336 20 5 FGBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196640 506479920 /nfs/dbraw/zinc/47/99/20/506479920.db2.gz PVJCHLNNLDIGNF-KRWDZBQOSA-N 1 3 368.909 3.096 20 5 FGBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589196640 506479927 /nfs/dbraw/zinc/47/99/27/506479927.db2.gz PVJCHLNNLDIGNF-KRWDZBQOSA-N 1 3 368.909 3.096 20 5 FGBDHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000594969174 507336288 /nfs/dbraw/zinc/33/62/88/507336288.db2.gz NQRQKCUCSISUJY-UHFFFAOYSA-N 1 3 354.454 3.300 20 5 FGBDHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073991 507379285 /nfs/dbraw/zinc/37/92/85/507379285.db2.gz UKDCQOBEYINLBH-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073991 507379291 /nfs/dbraw/zinc/37/92/91/507379291.db2.gz UKDCQOBEYINLBH-MGPUTAFESA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073992 507379495 /nfs/dbraw/zinc/37/94/95/507379495.db2.gz UKDCQOBEYINLBH-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073992 507379496 /nfs/dbraw/zinc/37/94/96/507379496.db2.gz UKDCQOBEYINLBH-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO O=[N+]([O-])c1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000089580910 494325781 /nfs/dbraw/zinc/32/57/81/494325781.db2.gz DTJMHPVPTAJKKQ-UHFFFAOYSA-N 1 3 369.465 3.270 20 5 FGBDHO C[NH+](C)[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000580543927 505783222 /nfs/dbraw/zinc/78/32/22/505783222.db2.gz YWOBFGKYQYYGBU-SFHVURJKSA-N 1 3 362.474 3.024 20 5 FGBDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000371151067 499293638 /nfs/dbraw/zinc/29/36/38/499293638.db2.gz KJZZRDCDMDEIGA-UHFFFAOYSA-N 1 3 374.529 3.223 20 5 FGBDHO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000414770600 499829081 /nfs/dbraw/zinc/82/90/81/499829081.db2.gz PDOYQOVLDLOULA-GASCZTMLSA-N 1 3 358.467 3.150 20 5 FGBDHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000576527894 506179074 /nfs/dbraw/zinc/17/90/74/506179074.db2.gz BAYOTZBLZDLWOE-IBGZPJMESA-N 1 3 355.438 3.312 20 5 FGBDHO C[C@@H]1C[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000422625803 500282756 /nfs/dbraw/zinc/28/27/56/500282756.db2.gz CMPAEZBEASXOHI-YCPHGPKFSA-N 1 3 358.442 3.098 20 5 FGBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000592982521 506322424 /nfs/dbraw/zinc/32/24/24/506322424.db2.gz JZNJHOJRGLLYGV-WMZOPIPTSA-N 1 3 370.453 3.256 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000595020008 507357618 /nfs/dbraw/zinc/35/76/18/507357618.db2.gz TZIUDLXSTMZFQR-OAGGEKHMSA-N 1 3 365.474 3.143 20 5 FGBDHO COc1c(O)ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892584003 740019180 /nfs/dbraw/zinc/01/91/80/740019180.db2.gz GIKBUAOIHCYURQ-AWEZNQCLSA-N 1 3 351.447 3.053 20 5 FGBDHO COc1c(O)ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892584003 740019188 /nfs/dbraw/zinc/01/91/88/740019188.db2.gz GIKBUAOIHCYURQ-AWEZNQCLSA-N 1 3 351.447 3.053 20 5 FGBDHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454080 497017084 /nfs/dbraw/zinc/01/70/84/497017084.db2.gz QVBMEMZSQNZYDP-QFBILLFUSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000248454080 497017090 /nfs/dbraw/zinc/01/70/90/497017090.db2.gz QVBMEMZSQNZYDP-QFBILLFUSA-N 1 3 369.465 3.321 20 5 FGBDHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000569624514 505978563 /nfs/dbraw/zinc/97/85/63/505978563.db2.gz ZSRDXXZAFDIBNC-LJQANCHMSA-N 1 3 355.438 3.312 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423296773 500362593 /nfs/dbraw/zinc/36/25/93/500362593.db2.gz ZTYRMCMPAWMAFS-KGLIPLIRSA-N 1 3 356.426 3.121 20 5 FGBDHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000469866461 502574988 /nfs/dbraw/zinc/57/49/88/502574988.db2.gz YOQPPOUWFHOHMO-UHFFFAOYSA-N 1 3 359.426 3.185 20 5 FGBDHO CCOc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000602018415 507557250 /nfs/dbraw/zinc/55/72/50/507557250.db2.gz BKFZFVOKOULZQM-AWEZNQCLSA-N 1 3 355.438 3.490 20 5 FGBDHO COCC[N@H+](C)CCCC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122046330 494914373 /nfs/dbraw/zinc/91/43/73/494914373.db2.gz UKOMCOIVUTUXOM-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122046330 494914376 /nfs/dbraw/zinc/91/43/76/494914376.db2.gz UKOMCOIVUTUXOM-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000193028373 497279898 /nfs/dbraw/zinc/27/98/98/497279898.db2.gz HGOMYAKGAUKPJL-HKBOAZHASA-N 1 3 373.497 3.330 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000263667794 497806961 /nfs/dbraw/zinc/80/69/61/497806961.db2.gz FRJKBZIVHQXPAR-UHFFFAOYSA-N 1 3 362.474 3.036 20 5 FGBDHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294676047 498769556 /nfs/dbraw/zinc/76/95/56/498769556.db2.gz HWIMNKLICADHLC-AWEZNQCLSA-N 1 3 355.442 3.139 20 5 FGBDHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566545 500385609 /nfs/dbraw/zinc/38/56/09/500385609.db2.gz MBRJFCPADJTQJD-QGZVFWFLSA-N 1 3 368.481 3.239 20 5 FGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587673 500629829 /nfs/dbraw/zinc/62/98/29/500629829.db2.gz RRQWULBXEYADCF-SQNIBIBYSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587673 500629833 /nfs/dbraw/zinc/62/98/33/500629833.db2.gz RRQWULBXEYADCF-SQNIBIBYSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587673 500629839 /nfs/dbraw/zinc/62/98/39/500629839.db2.gz RRQWULBXEYADCF-SQNIBIBYSA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587671 500630036 /nfs/dbraw/zinc/63/00/36/500630036.db2.gz RRQWULBXEYADCF-KURKYZTESA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587671 500630039 /nfs/dbraw/zinc/63/00/39/500630039.db2.gz RRQWULBXEYADCF-KURKYZTESA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447587671 500630042 /nfs/dbraw/zinc/63/00/42/500630042.db2.gz RRQWULBXEYADCF-KURKYZTESA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000449089274 500922410 /nfs/dbraw/zinc/92/24/10/500922410.db2.gz JRKRHLQBWUETKE-MRXNPFEDSA-N 1 3 357.454 3.256 20 5 FGBDHO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435612113 501001658 /nfs/dbraw/zinc/00/16/58/501001658.db2.gz DRZTZNMISOVMOM-MRXNPFEDSA-N 1 3 358.442 3.256 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000468631032 502131606 /nfs/dbraw/zinc/13/16/06/502131606.db2.gz JFXSTBSJFNYKDC-BVVDNCSCSA-N 1 3 361.486 3.477 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(SC)CC[NH+](C)CC1 ZINC000595053281 507370208 /nfs/dbraw/zinc/37/02/08/507370208.db2.gz XGZPIIKRLBNUJE-CYBMUJFWSA-N 1 3 353.488 3.081 20 5 FGBDHO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000570827976 505589849 /nfs/dbraw/zinc/58/98/49/505589849.db2.gz ZBGJLSNEXAATMN-INIZCTEOSA-N 1 3 370.453 3.143 20 5 FGBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000570864027 505598260 /nfs/dbraw/zinc/59/82/60/505598260.db2.gz OQGDRPLFPSIIQY-IBGZPJMESA-N 1 3 352.438 3.483 20 5 FGBDHO CC(C)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236791555 497146683 /nfs/dbraw/zinc/14/66/83/497146683.db2.gz BHTOTIVRXUJKII-UHFFFAOYSA-N 1 3 371.485 3.205 20 5 FGBDHO COc1ccc(-c2ccc(CNCC[C@@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414833096 499835486 /nfs/dbraw/zinc/83/54/86/499835486.db2.gz GCSUHXOLZDNBSE-AWEZNQCLSA-N 1 3 359.426 3.343 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCC2 ZINC000417313190 500037604 /nfs/dbraw/zinc/03/76/04/500037604.db2.gz OYWAMUCDUHJLFK-IERDGZPVSA-N 1 3 373.497 3.453 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477940677 501835248 /nfs/dbraw/zinc/83/52/48/501835248.db2.gz RQVHCJQPZWDDBD-HNNXBMFYSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477940677 501835249 /nfs/dbraw/zinc/83/52/49/501835249.db2.gz RQVHCJQPZWDDBD-HNNXBMFYSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698484 495686952 /nfs/dbraw/zinc/68/69/52/495686952.db2.gz UXRXVIGGBBWXFS-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698484 495686954 /nfs/dbraw/zinc/68/69/54/495686954.db2.gz UXRXVIGGBBWXFS-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185698484 495686956 /nfs/dbraw/zinc/68/69/56/495686956.db2.gz UXRXVIGGBBWXFS-HOTGVXAUSA-N 1 3 374.485 3.166 20 5 FGBDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000377265706 499675066 /nfs/dbraw/zinc/67/50/66/499675066.db2.gz HJEDWMSXTWHVAE-UHFFFAOYSA-N 1 3 374.529 3.223 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1OCC[NH+](C)C ZINC000449104906 500926508 /nfs/dbraw/zinc/92/65/08/500926508.db2.gz GUXLRLFHKULSJQ-MRXNPFEDSA-N 1 3 357.454 3.256 20 5 FGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1OCCN(C)C ZINC000449104906 500926510 /nfs/dbraw/zinc/92/65/10/500926510.db2.gz GUXLRLFHKULSJQ-MRXNPFEDSA-N 1 3 357.454 3.256 20 5 FGBDHO COc1cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000501072154 502929054 /nfs/dbraw/zinc/92/90/54/502929054.db2.gz ZMYWRYDIXIHLKW-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO COc1cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000501072154 502929058 /nfs/dbraw/zinc/92/90/58/502929058.db2.gz ZMYWRYDIXIHLKW-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000570864028 505598580 /nfs/dbraw/zinc/59/85/80/505598580.db2.gz OQGDRPLFPSIIQY-LJQANCHMSA-N 1 3 352.438 3.483 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457811 497018435 /nfs/dbraw/zinc/01/84/35/497018435.db2.gz UFDKXRBPICRMSF-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457811 497018439 /nfs/dbraw/zinc/01/84/39/497018439.db2.gz UFDKXRBPICRMSF-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449253942 500958086 /nfs/dbraw/zinc/95/80/86/500958086.db2.gz VDRCQTQOAOUTJV-INIZCTEOSA-N 1 3 354.454 3.427 20 5 FGBDHO CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435612112 501001518 /nfs/dbraw/zinc/00/15/18/501001518.db2.gz DRZTZNMISOVMOM-INIZCTEOSA-N 1 3 358.442 3.256 20 5 FGBDHO CC(C)c1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314325 506533011 /nfs/dbraw/zinc/53/30/11/506533011.db2.gz CGFUATOOQSXZKW-ZWOKBUDYSA-N 1 3 361.486 3.437 20 5 FGBDHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591347927 507214140 /nfs/dbraw/zinc/21/41/40/507214140.db2.gz FJHHNDURMKKUGE-DYESRHJHSA-N 1 3 372.513 3.120 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595069817 507378197 /nfs/dbraw/zinc/37/81/97/507378197.db2.gz LDXPNUJPGIPLIT-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595069817 507378200 /nfs/dbraw/zinc/37/82/00/507378200.db2.gz LDXPNUJPGIPLIT-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174403192 495942520 /nfs/dbraw/zinc/94/25/20/495942520.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174403192 495942526 /nfs/dbraw/zinc/94/25/26/495942526.db2.gz NNWAIUAGZUFKMB-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000332101046 498562526 /nfs/dbraw/zinc/56/25/26/498562526.db2.gz FDOWBKRVNSHTIC-QGZVFWFLSA-N 1 3 360.502 3.005 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332403966 498678252 /nfs/dbraw/zinc/67/82/52/498678252.db2.gz WEWISXFNZGXJIL-SJORKVTESA-N 1 3 360.502 3.065 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000332403966 498678257 /nfs/dbraw/zinc/67/82/57/498678257.db2.gz WEWISXFNZGXJIL-SJORKVTESA-N 1 3 360.502 3.065 20 5 FGBDHO Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000397555674 499564231 /nfs/dbraw/zinc/56/42/31/499564231.db2.gz LXUBFHRTDRZFKK-UHFFFAOYSA-N 1 3 369.465 3.020 20 5 FGBDHO COc1ccc(-c2ccc(CNCC[C@H]3CCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414833098 499835593 /nfs/dbraw/zinc/83/55/93/499835593.db2.gz GCSUHXOLZDNBSE-CQSZACIVSA-N 1 3 359.426 3.343 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561749 500624933 /nfs/dbraw/zinc/62/49/33/500624933.db2.gz JISVAFCIYXSXGZ-MHORFTMASA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561749 500624936 /nfs/dbraw/zinc/62/49/36/500624936.db2.gz JISVAFCIYXSXGZ-MHORFTMASA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561749 500624937 /nfs/dbraw/zinc/62/49/37/500624937.db2.gz JISVAFCIYXSXGZ-MHORFTMASA-N 1 3 363.506 3.233 20 5 FGBDHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547675 501319866 /nfs/dbraw/zinc/31/98/66/501319866.db2.gz LMCQRSATNVHSBL-HXUWFJFHSA-N 1 3 374.529 3.190 20 5 FGBDHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547675 501319869 /nfs/dbraw/zinc/31/98/69/501319869.db2.gz LMCQRSATNVHSBL-HXUWFJFHSA-N 1 3 374.529 3.190 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094826 506255113 /nfs/dbraw/zinc/25/51/13/506255113.db2.gz MPGMRFXQGAINHL-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094826 506255120 /nfs/dbraw/zinc/25/51/20/506255120.db2.gz MPGMRFXQGAINHL-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596094826 506255130 /nfs/dbraw/zinc/25/51/30/506255130.db2.gz MPGMRFXQGAINHL-RDJZCZTQSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467868301 501894143 /nfs/dbraw/zinc/89/41/43/501894143.db2.gz RQSOSVFTCHKNSQ-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OCC[NH+](C)C ZINC000583894845 507035433 /nfs/dbraw/zinc/03/54/33/507035433.db2.gz KYPXWXSCLSRNBI-WJDWOHSUSA-N 1 3 370.453 3.123 20 5 FGBDHO COc1ccc(-c2ccc(CN[C@@H]3CC34CC[NH2+]CC4)o2)c([N+](=O)[O-])c1 ZINC000591281926 507183787 /nfs/dbraw/zinc/18/37/87/507183787.db2.gz WSUDJYOHGOOKOK-GOSISDBHSA-N 1 3 357.410 3.095 20 5 FGBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000594957335 507331860 /nfs/dbraw/zinc/33/18/60/507331860.db2.gz YVZQVCOMYBTCJQ-UHFFFAOYSA-N 1 3 367.877 3.229 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066160 507374703 /nfs/dbraw/zinc/37/47/03/507374703.db2.gz DAZFJOYZAHPYOG-VQIMIIECSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000595066160 507374711 /nfs/dbraw/zinc/37/47/11/507374711.db2.gz DAZFJOYZAHPYOG-VQIMIIECSA-N 1 3 369.465 3.321 20 5 FGBDHO CCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432618 497348186 /nfs/dbraw/zinc/34/81/86/497348186.db2.gz BFALIAKWHSUMJE-UFYCRDLUSA-N 1 3 361.486 3.403 20 5 FGBDHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415000734 499853468 /nfs/dbraw/zinc/85/34/68/499853468.db2.gz UAJWAOHSHGUXOX-ZKHDCCDFSA-N 1 3 358.467 3.324 20 5 FGBDHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000469853345 502568366 /nfs/dbraw/zinc/56/83/66/502568366.db2.gz KBEBNLJMXVUXOL-UHFFFAOYSA-N 1 3 359.426 3.185 20 5 FGBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000592982515 506321617 /nfs/dbraw/zinc/32/16/17/506321617.db2.gz JZNJHOJRGLLYGV-FUHWJXTLSA-N 1 3 370.453 3.256 20 5 FGBDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000538750351 504357706 /nfs/dbraw/zinc/35/77/06/504357706.db2.gz UDJGNSKXTLYYIH-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000538750351 504357708 /nfs/dbraw/zinc/35/77/08/504357708.db2.gz UDJGNSKXTLYYIH-UHFFFAOYSA-N 1 3 363.502 3.474 20 5 FGBDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000109788113 494917881 /nfs/dbraw/zinc/91/78/81/494917881.db2.gz KNQQJVWAILUAEN-UHFFFAOYSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OCCN(C)C)c1 ZINC000123184691 495093565 /nfs/dbraw/zinc/09/35/65/495093565.db2.gz ITPPIWGMERIERU-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000578132261 505869921 /nfs/dbraw/zinc/86/99/21/505869921.db2.gz VBNQFLCWTGWUPJ-XLIONFOSSA-N 1 3 371.437 3.183 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427229 497007488 /nfs/dbraw/zinc/00/74/88/497007488.db2.gz AADGBAVSVWBNJR-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427229 497007490 /nfs/dbraw/zinc/00/74/90/497007490.db2.gz AADGBAVSVWBNJR-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H]1C[N@H+](CCCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336402 500043627 /nfs/dbraw/zinc/04/36/27/500043627.db2.gz VEOGWWUBXKFSQW-JXFKEZNVSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336402 500043631 /nfs/dbraw/zinc/04/36/31/500043631.db2.gz VEOGWWUBXKFSQW-JXFKEZNVSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@@H]1C[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000422625802 500283209 /nfs/dbraw/zinc/28/32/09/500283209.db2.gz CMPAEZBEASXOHI-IJEWVQPXSA-N 1 3 358.442 3.098 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC([C@@H](C)[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000435368409 500960873 /nfs/dbraw/zinc/96/08/73/500960873.db2.gz AFYLETVBBXUNQF-CYBMUJFWSA-N 1 3 359.426 3.423 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094825 506255455 /nfs/dbraw/zinc/25/54/55/506255455.db2.gz MPGMRFXQGAINHL-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094825 506255461 /nfs/dbraw/zinc/25/54/61/506255461.db2.gz MPGMRFXQGAINHL-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596094825 506255465 /nfs/dbraw/zinc/25/54/65/506255465.db2.gz MPGMRFXQGAINHL-NVXWUHKLSA-N 1 3 374.485 3.024 20 5 FGBDHO COc1ccc([N+](=O)[O-])cc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022833 502914297 /nfs/dbraw/zinc/91/42/97/502914297.db2.gz JTLZQBWHICOLIL-UHFFFAOYSA-N 1 3 370.453 3.347 20 5 FGBDHO CC(C)c1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314323 506532456 /nfs/dbraw/zinc/53/24/56/506532456.db2.gz CGFUATOOQSXZKW-SQGPQFPESA-N 1 3 361.486 3.437 20 5 FGBDHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092380924 494611259 /nfs/dbraw/zinc/61/12/59/494611259.db2.gz KZTHNYNSVPVALX-UHFFFAOYSA-N 1 3 371.485 3.159 20 5 FGBDHO COc1ccc(-c2ccc(CNCCC[C@@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414969731 499850101 /nfs/dbraw/zinc/85/01/01/499850101.db2.gz JIXPRUYAULBFCO-CQSZACIVSA-N 1 3 359.426 3.485 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC[C@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000442928472 500648136 /nfs/dbraw/zinc/64/81/36/500648136.db2.gz PLASSGCXMMZQFY-CQSZACIVSA-N 1 3 359.426 3.424 20 5 FGBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523292 494478580 /nfs/dbraw/zinc/47/85/80/494478580.db2.gz AGQITXCICOKZQE-BEVDRBHNSA-N 1 3 361.486 3.322 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000103143686 495198092 /nfs/dbraw/zinc/19/80/92/495198092.db2.gz AWALALBFUULQEI-UHFFFAOYSA-N 1 3 374.485 3.040 20 5 FGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247102140 496778636 /nfs/dbraw/zinc/77/86/36/496778636.db2.gz SKDKPFLFXCPWNW-KURKYZTESA-N 1 3 363.502 3.395 20 5 FGBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000268440207 497751297 /nfs/dbraw/zinc/75/12/97/497751297.db2.gz RFYHCKAKNBOIAB-UHFFFAOYSA-N 1 3 373.453 3.180 20 5 FGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368331959 499286034 /nfs/dbraw/zinc/28/60/34/499286034.db2.gz LNJLHWPNFUWBHR-QGZVFWFLSA-N 1 3 360.502 3.005 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005743 499565508 /nfs/dbraw/zinc/56/55/08/499565508.db2.gz YUWXETSWLPGYAH-LAUBAEHRSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005743 499565509 /nfs/dbraw/zinc/56/55/09/499565509.db2.gz YUWXETSWLPGYAH-LAUBAEHRSA-N 1 3 369.465 3.474 20 5 FGBDHO CCN1CCN(CCCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328311 500041158 /nfs/dbraw/zinc/04/11/58/500041158.db2.gz SHGSRUKVRLAUDE-NRFANRHFSA-N 1 3 374.529 3.370 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477922375 501829959 /nfs/dbraw/zinc/82/99/59/501829959.db2.gz YNKPVTGSSDSYET-OAHLLOKOSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477922375 501829963 /nfs/dbraw/zinc/82/99/63/501829963.db2.gz YNKPVTGSSDSYET-OAHLLOKOSA-N 1 3 362.474 3.024 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595020010 507357477 /nfs/dbraw/zinc/35/74/77/507357477.db2.gz TZIUDLXSTMZFQR-XHSDSOJGSA-N 1 3 365.474 3.143 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561752 500625092 /nfs/dbraw/zinc/62/50/92/500625092.db2.gz JISVAFCIYXSXGZ-XMTFNYHQSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561752 500625094 /nfs/dbraw/zinc/62/50/94/500625094.db2.gz JISVAFCIYXSXGZ-XMTFNYHQSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561752 500625097 /nfs/dbraw/zinc/62/50/97/500625097.db2.gz JISVAFCIYXSXGZ-XMTFNYHQSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000449089273 500922429 /nfs/dbraw/zinc/92/24/29/500922429.db2.gz JRKRHLQBWUETKE-INIZCTEOSA-N 1 3 357.454 3.256 20 5 FGBDHO CC[NH+](CC)CCO[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178792 502697167 /nfs/dbraw/zinc/69/71/67/502697167.db2.gz NZOTXYWCBKROGW-XMJIKXADSA-N 1 3 361.486 3.431 20 5 FGBDHO CC[NH+](CC)CCO[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178789 502697871 /nfs/dbraw/zinc/69/78/71/502697871.db2.gz NZOTXYWCBKROGW-MBGNVJMVSA-N 1 3 361.486 3.431 20 5 FGBDHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712762 507077143 /nfs/dbraw/zinc/07/71/43/507077143.db2.gz XXQORSFNAPBIFG-ZDUSSCGKSA-N 1 3 361.467 3.482 20 5 FGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595020009 507357511 /nfs/dbraw/zinc/35/75/11/507357511.db2.gz TZIUDLXSTMZFQR-OWCLPIDISA-N 1 3 365.474 3.143 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068552 507377695 /nfs/dbraw/zinc/37/76/95/507377695.db2.gz JAYYBAXXSDXJEY-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068552 507377705 /nfs/dbraw/zinc/37/77/05/507377705.db2.gz JAYYBAXXSDXJEY-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523294 494478283 /nfs/dbraw/zinc/47/82/83/494478283.db2.gz AGQITXCICOKZQE-XPGWFJOJSA-N 1 3 361.486 3.322 20 5 FGBDHO O=[N+]([O-])c1ccccc1C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000132779146 494923000 /nfs/dbraw/zinc/92/30/00/494923000.db2.gz UNEBMZWUKZFNEC-JXFKEZNVSA-N 1 3 373.497 3.006 20 5 FGBDHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000132780745 494923936 /nfs/dbraw/zinc/92/39/36/494923936.db2.gz HPTUVFJFKRWNBE-INIZCTEOSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450944 497016873 /nfs/dbraw/zinc/01/68/73/497016873.db2.gz PFVJBDDLJSNCSX-NHCUHLMSSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450944 497016877 /nfs/dbraw/zinc/01/68/77/497016877.db2.gz PFVJBDDLJSNCSX-NHCUHLMSSA-N 1 3 369.465 3.402 20 5 FGBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278510846 497139579 /nfs/dbraw/zinc/13/95/79/497139579.db2.gz PVPSEHZQUNNIIP-UHFFFAOYSA-N 1 3 355.385 3.160 20 5 FGBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464834093 502111752 /nfs/dbraw/zinc/11/17/52/502111752.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464834093 502111755 /nfs/dbraw/zinc/11/17/55/502111755.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 1 3 369.465 3.428 20 5 FGBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CCCC3)CC2)n1 ZINC000580991760 505885472 /nfs/dbraw/zinc/88/54/72/505885472.db2.gz RBAVBFPCSPVABB-ROUUACIJSA-N 1 3 361.490 3.272 20 5 FGBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000580991760 505885474 /nfs/dbraw/zinc/88/54/74/505885474.db2.gz RBAVBFPCSPVABB-ROUUACIJSA-N 1 3 361.490 3.272 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000192880787 497235922 /nfs/dbraw/zinc/23/59/22/497235922.db2.gz MPRDQOHPHNGLIP-QRWLVFNGSA-N 1 3 359.470 3.063 20 5 FGBDHO C[C@@H]1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000422625801 500282896 /nfs/dbraw/zinc/28/28/96/500282896.db2.gz CMPAEZBEASXOHI-IIAWOOMASA-N 1 3 358.442 3.098 20 5 FGBDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000423296772 500362653 /nfs/dbraw/zinc/36/26/53/500362653.db2.gz ZTYRMCMPAWMAFS-KBPBESRZSA-N 1 3 356.426 3.121 20 5 FGBDHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423566543 500385261 /nfs/dbraw/zinc/38/52/61/500385261.db2.gz MBRJFCPADJTQJD-KRWDZBQOSA-N 1 3 368.481 3.239 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(OCCN(C)C)cc1 ZINC000468002375 501926902 /nfs/dbraw/zinc/92/69/02/501926902.db2.gz FCJUSKLXISBPGN-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000592433737 507655192 /nfs/dbraw/zinc/65/51/92/507655192.db2.gz SKMAKSLJKIDWNQ-QUCCMNQESA-N 1 3 371.437 3.183 20 5 FGBDHO NC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841039204 730204992 /nfs/dbraw/zinc/20/49/92/730204992.db2.gz FIGVMSGCTXKGRB-CQSZACIVSA-N 1 3 356.264 3.355 20 5 FGBDHO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OCCN(C)C)c1 ZINC000090910018 494503449 /nfs/dbraw/zinc/50/34/49/494503449.db2.gz IGSBRBNDQWCPAR-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753374 495711551 /nfs/dbraw/zinc/71/15/51/495711551.db2.gz OHSXWSSOSJCBMY-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753374 495711556 /nfs/dbraw/zinc/71/15/56/495711556.db2.gz OHSXWSSOSJCBMY-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000185753374 495711560 /nfs/dbraw/zinc/71/15/60/495711560.db2.gz OHSXWSSOSJCBMY-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000312558337 498761564 /nfs/dbraw/zinc/76/15/64/498761564.db2.gz SMDNXBVQQXWOLQ-MJGOQNOKSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312558337 498761571 /nfs/dbraw/zinc/76/15/71/498761571.db2.gz SMDNXBVQQXWOLQ-MJGOQNOKSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558337 498761576 /nfs/dbraw/zinc/76/15/76/498761576.db2.gz SMDNXBVQQXWOLQ-MJGOQNOKSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007737 499854278 /nfs/dbraw/zinc/85/42/78/499854278.db2.gz CYFBLWWODGUFHF-HUUCEWRRSA-N 1 3 365.437 3.273 20 5 FGBDHO C[NH+]1CCC(C)(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602608418 506229359 /nfs/dbraw/zinc/22/93/59/506229359.db2.gz SYVOWOGUPGGKMV-UHFFFAOYSA-N 1 3 362.293 3.240 20 5 FGBDHO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000592982519 506322879 /nfs/dbraw/zinc/32/28/79/506322879.db2.gz JZNJHOJRGLLYGV-SJLPKXTDSA-N 1 3 370.453 3.256 20 5 FGBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000132779317 494923324 /nfs/dbraw/zinc/92/33/24/494923324.db2.gz UNEBMZWUKZFNEC-OXJNMPFZSA-N 1 3 373.497 3.006 20 5 FGBDHO Cc1c(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299651093 497881855 /nfs/dbraw/zinc/88/18/55/497881855.db2.gz ZXFDKARYGJFLCJ-UHFFFAOYSA-N 1 3 362.474 3.036 20 5 FGBDHO Cn1cc(C[NH2+]C2CC(N3CCCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373466351 499471437 /nfs/dbraw/zinc/47/14/37/499471437.db2.gz ODDWNTZTYOOVEG-UHFFFAOYSA-N 1 3 369.469 3.102 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCC2 ZINC000417313191 500037501 /nfs/dbraw/zinc/03/75/01/500037501.db2.gz OYWAMUCDUHJLFK-IIBYNOLFSA-N 1 3 373.497 3.453 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447429 503849498 /nfs/dbraw/zinc/84/94/98/503849498.db2.gz YFSPBAHQNRGCDN-JKSUJKDBSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447429 503849501 /nfs/dbraw/zinc/84/95/01/503849501.db2.gz YFSPBAHQNRGCDN-JKSUJKDBSA-N 1 3 362.474 3.036 20 5 FGBDHO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973809 505564610 /nfs/dbraw/zinc/56/46/10/505564610.db2.gz TWPPIAADHIGKNV-GJZGRUSLSA-N 1 3 373.453 3.398 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OCC[NH+](C)C ZINC000583894844 507034936 /nfs/dbraw/zinc/03/49/36/507034936.db2.gz KYPXWXSCLSRNBI-LFIBNONCSA-N 1 3 370.453 3.123 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068555 507378220 /nfs/dbraw/zinc/37/82/20/507378220.db2.gz JAYYBAXXSDXJEY-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068555 507378225 /nfs/dbraw/zinc/37/82/25/507378225.db2.gz JAYYBAXXSDXJEY-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072181 507379845 /nfs/dbraw/zinc/37/98/45/507379845.db2.gz QIJRNWQSIXLGIM-NHCUHLMSSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072181 507379853 /nfs/dbraw/zinc/37/98/53/507379853.db2.gz QIJRNWQSIXLGIM-NHCUHLMSSA-N 1 3 369.465 3.402 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000183304756 495924053 /nfs/dbraw/zinc/92/40/53/495924053.db2.gz AFBPULVSLLKQMU-CALCHBBNSA-N 1 3 361.486 3.224 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000183304756 495924060 /nfs/dbraw/zinc/92/40/60/495924060.db2.gz AFBPULVSLLKQMU-CALCHBBNSA-N 1 3 361.486 3.224 20 5 FGBDHO CCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432616 497348269 /nfs/dbraw/zinc/34/82/69/497348269.db2.gz BFALIAKWHSUMJE-SLFFLAALSA-N 1 3 361.486 3.403 20 5 FGBDHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000578323307 505914926 /nfs/dbraw/zinc/91/49/26/505914926.db2.gz CRAMWFSANWHSEM-HUUCEWRRSA-N 1 3 373.453 3.398 20 5 FGBDHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397569780 499564417 /nfs/dbraw/zinc/56/44/17/499564417.db2.gz XRSHEVWXAZBWBF-KRWDZBQOSA-N 1 3 369.465 3.273 20 5 FGBDHO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)N ZINC000415007742 499854317 /nfs/dbraw/zinc/85/43/17/499854317.db2.gz CYFBLWWODGUFHF-LSDHHAIUSA-N 1 3 365.437 3.273 20 5 FGBDHO NC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530699 500383231 /nfs/dbraw/zinc/38/32/31/500383231.db2.gz RSXQYMKXXUYKQU-GXPJSCQJSA-N 1 3 373.501 3.018 20 5 FGBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530699 500383235 /nfs/dbraw/zinc/38/32/35/500383235.db2.gz RSXQYMKXXUYKQU-GXPJSCQJSA-N 1 3 373.501 3.018 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000449088542 500922125 /nfs/dbraw/zinc/92/21/25/500922125.db2.gz HXRLZRYVNPRNNI-INIZCTEOSA-N 1 3 357.454 3.256 20 5 FGBDHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514826700 503202501 /nfs/dbraw/zinc/20/25/01/503202501.db2.gz PROZAPSLQWYSRA-HXUWFJFHSA-N 1 3 369.465 3.355 20 5 FGBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595070591 507377787 /nfs/dbraw/zinc/37/77/87/507377787.db2.gz WEIWODNKGKQKNE-FQEVSTJZSA-N 1 3 366.465 3.479 20 5 FGBDHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073993 507379893 /nfs/dbraw/zinc/37/98/93/507379893.db2.gz UKDCQOBEYINLBH-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073993 507379896 /nfs/dbraw/zinc/37/98/96/507379896.db2.gz UKDCQOBEYINLBH-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[NH+](C)[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000580543926 505783417 /nfs/dbraw/zinc/78/34/17/505783417.db2.gz YWOBFGKYQYYGBU-GOSISDBHSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264721 496723429 /nfs/dbraw/zinc/72/34/29/496723429.db2.gz AADGBAVSVWBNJR-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264721 496723432 /nfs/dbraw/zinc/72/34/32/496723432.db2.gz AADGBAVSVWBNJR-QRWLVFNGSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](N)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007734 499854213 /nfs/dbraw/zinc/85/42/13/499854213.db2.gz CYFBLWWODGUFHF-CABCVRRESA-N 1 3 365.437 3.273 20 5 FGBDHO CN(C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447531221 500617899 /nfs/dbraw/zinc/61/78/99/500617899.db2.gz QIAGBDBDVDCYHA-ZWKOTPCHSA-N 1 3 357.458 3.126 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294070 500663779 /nfs/dbraw/zinc/66/37/79/500663779.db2.gz JOBTWSBSHDEHNL-XUVXKRRUSA-N 1 3 373.497 3.285 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCN)CC1CCCC1 ZINC000489862834 503052269 /nfs/dbraw/zinc/05/22/69/503052269.db2.gz YMCIMFXQVDFQIH-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCCN)CC1CCCC1 ZINC000489862834 503052273 /nfs/dbraw/zinc/05/22/73/503052273.db2.gz YMCIMFXQVDFQIH-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCC[NH3+])CC1CCCC1 ZINC000489862834 503052277 /nfs/dbraw/zinc/05/22/77/503052277.db2.gz YMCIMFXQVDFQIH-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850236 /nfs/dbraw/zinc/85/02/36/503850236.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850241 /nfs/dbraw/zinc/85/02/41/503850241.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 1 3 362.474 3.036 20 5 FGBDHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456653 495365720 /nfs/dbraw/zinc/36/57/20/495365720.db2.gz XCKZTBCXKSUIMH-INIZCTEOSA-N 1 3 371.485 3.205 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698503 495686922 /nfs/dbraw/zinc/68/69/22/495686922.db2.gz UXRXVIGGBBWXFS-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698503 495686923 /nfs/dbraw/zinc/68/69/23/495686923.db2.gz UXRXVIGGBBWXFS-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185698503 495686927 /nfs/dbraw/zinc/68/69/27/495686927.db2.gz UXRXVIGGBBWXFS-CVEARBPZSA-N 1 3 374.485 3.166 20 5 FGBDHO CN(C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447531220 500617797 /nfs/dbraw/zinc/61/77/97/500617797.db2.gz QIAGBDBDVDCYHA-ROUUACIJSA-N 1 3 357.458 3.126 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094827 506255306 /nfs/dbraw/zinc/25/53/06/506255306.db2.gz MPGMRFXQGAINHL-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094827 506255310 /nfs/dbraw/zinc/25/53/10/506255310.db2.gz MPGMRFXQGAINHL-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596094827 506255317 /nfs/dbraw/zinc/25/53/17/506255317.db2.gz MPGMRFXQGAINHL-WBVHZDCISA-N 1 3 374.485 3.024 20 5 FGBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464828541 502109372 /nfs/dbraw/zinc/10/93/72/502109372.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464828541 502109373 /nfs/dbraw/zinc/10/93/73/502109373.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193218 503466847 /nfs/dbraw/zinc/46/68/47/503466847.db2.gz IAGJKJVYTLLJGD-SNRMKQJTSA-N 1 3 361.486 3.309 20 5 FGBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000565716424 504967427 /nfs/dbraw/zinc/96/74/27/504967427.db2.gz RWQFCQOBJDTDKS-QUCCMNQESA-N 1 3 371.437 3.183 20 5 FGBDHO COc1ccc(OCCN2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000123430258 495131085 /nfs/dbraw/zinc/13/10/85/495131085.db2.gz HLEICWWJAIXLKJ-UHFFFAOYSA-N 1 3 365.474 3.036 20 5 FGBDHO CC(C)N1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456647 495365475 /nfs/dbraw/zinc/36/54/75/495365475.db2.gz XCKZTBCXKSUIMH-MRXNPFEDSA-N 1 3 371.485 3.205 20 5 FGBDHO COc1ccc(-c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574917095 505882553 /nfs/dbraw/zinc/88/25/53/505882553.db2.gz RJULFRLOOMGIKV-KKXDTOCCSA-N 1 3 371.437 3.423 20 5 FGBDHO CC(C)N1CCN(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000192725128 497195858 /nfs/dbraw/zinc/19/58/58/497195858.db2.gz KNZPLPINOMQFNJ-UHFFFAOYSA-N 1 3 362.518 3.221 20 5 FGBDHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000192725128 497195863 /nfs/dbraw/zinc/19/58/63/497195863.db2.gz KNZPLPINOMQFNJ-UHFFFAOYSA-N 1 3 362.518 3.221 20 5 FGBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000246266893 497678690 /nfs/dbraw/zinc/67/86/90/497678690.db2.gz AGQITXCICOKZQE-CWFSZBLJSA-N 1 3 361.486 3.322 20 5 FGBDHO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCOCC2 ZINC000570718713 506215030 /nfs/dbraw/zinc/21/50/30/506215030.db2.gz ABGNJSSXSORMRY-INIZCTEOSA-N 1 3 371.437 3.042 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000540158707 503692881 /nfs/dbraw/zinc/69/28/81/503692881.db2.gz XCTUNJUOJKIBDU-CWFSZBLJSA-N 1 3 361.486 3.322 20 5 FGBDHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000539833273 504708956 /nfs/dbraw/zinc/70/89/56/504708956.db2.gz VUTRFLDNDAIINB-UHFFFAOYSA-N 1 3 373.453 3.397 20 5 FGBDHO C[NH+]1CCC(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602544471 507745065 /nfs/dbraw/zinc/74/50/65/507745065.db2.gz JJAOKYJYQNOXAA-UHFFFAOYSA-N 1 3 362.293 3.240 20 5 FGBDHO C[NH+]1CCC(N2CCC(Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000804398507 724511657 /nfs/dbraw/zinc/51/16/57/724511657.db2.gz ZUFQYMCQEHVERM-UHFFFAOYSA-N 1 3 352.866 3.219 20 5 FGBDHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126731198 494828287 /nfs/dbraw/zinc/82/82/87/494828287.db2.gz HXMHZRDYEAOQHV-KRWDZBQOSA-N 1 3 368.481 3.193 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261463 496722174 /nfs/dbraw/zinc/72/21/74/496722174.db2.gz UFDKXRBPICRMSF-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182261463 496722177 /nfs/dbraw/zinc/72/21/77/496722177.db2.gz UFDKXRBPICRMSF-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268792234 496786399 /nfs/dbraw/zinc/78/63/99/496786399.db2.gz DSESJMKLQKNUGD-FQEVSTJZSA-N 1 3 362.518 3.443 20 5 FGBDHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397569781 499564183 /nfs/dbraw/zinc/56/41/83/499564183.db2.gz XRSHEVWXAZBWBF-QGZVFWFLSA-N 1 3 369.465 3.273 20 5 FGBDHO C[C@H](N)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415007736 499854328 /nfs/dbraw/zinc/85/43/28/499854328.db2.gz CYFBLWWODGUFHF-GJZGRUSLSA-N 1 3 365.437 3.273 20 5 FGBDHO CC(C)c1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415131564 499868168 /nfs/dbraw/zinc/86/81/68/499868168.db2.gz ZLEQDXNYPZWGNQ-XLIONFOSSA-N 1 3 361.486 3.437 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000468631031 502131892 /nfs/dbraw/zinc/13/18/92/502131892.db2.gz JFXSTBSJFNYKDC-BOLKPDSISA-N 1 3 361.486 3.477 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCN)CC1CCCC1 ZINC000489861183 503051007 /nfs/dbraw/zinc/05/10/07/503051007.db2.gz UGIHBRLMPRRLPJ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCN)CC1CCCC1 ZINC000489861183 503051009 /nfs/dbraw/zinc/05/10/09/503051009.db2.gz UGIHBRLMPRRLPJ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCC[NH3+])CC1CCCC1 ZINC000489861183 503051010 /nfs/dbraw/zinc/05/10/10/503051010.db2.gz UGIHBRLMPRRLPJ-UHFFFAOYSA-N 1 3 362.474 3.073 20 5 FGBDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)CC1 ZINC000594208401 507010299 /nfs/dbraw/zinc/01/02/99/507010299.db2.gz CTXSAVVWKGAHTP-UHFFFAOYSA-N 1 3 374.485 3.038 20 5 FGBDHO COc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376444 507626615 /nfs/dbraw/zinc/62/66/15/507626615.db2.gz OIVYLZDAIAIWKR-MSOLQXFVSA-N 1 3 355.438 3.038 20 5 FGBDHO Cc1c([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000090523291 494478169 /nfs/dbraw/zinc/47/81/69/494478169.db2.gz AGQITXCICOKZQE-YSGRDPCXSA-N 1 3 361.486 3.322 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000468651654 502135562 /nfs/dbraw/zinc/13/55/62/502135562.db2.gz MHVWCRURDSTNFS-VKAVYKQESA-N 1 3 372.513 3.146 20 5 FGBDHO CCOc1ccc([C@H](C)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000567151336 505378574 /nfs/dbraw/zinc/37/85/74/505378574.db2.gz GJXQCRBDECHMEY-AWEZNQCLSA-N 1 3 367.515 3.472 20 5 FGBDHO CCOc1ccc([C@H](C)[NH2+]CC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000567151336 505378575 /nfs/dbraw/zinc/37/85/75/505378575.db2.gz GJXQCRBDECHMEY-AWEZNQCLSA-N 1 3 367.515 3.472 20 5 FGBDHO [NH3+]CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414912907 499844074 /nfs/dbraw/zinc/84/40/74/499844074.db2.gz VGEVSJLUNVBRRC-UHFFFAOYSA-N 1 3 368.231 3.446 20 5 FGBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464834091 502112284 /nfs/dbraw/zinc/11/22/84/502112284.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464834091 502112287 /nfs/dbraw/zinc/11/22/87/502112287.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 1 3 369.465 3.428 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753396 495711508 /nfs/dbraw/zinc/71/15/08/495711508.db2.gz OHSXWSSOSJCBMY-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753396 495711513 /nfs/dbraw/zinc/71/15/13/495711513.db2.gz OHSXWSSOSJCBMY-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000185753396 495711517 /nfs/dbraw/zinc/71/15/17/495711517.db2.gz OHSXWSSOSJCBMY-HZPDHXFCSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162884691 496428128 /nfs/dbraw/zinc/42/81/28/496428128.db2.gz SKDKPFLFXCPWNW-OKZBNKHCSA-N 1 3 363.502 3.395 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000192880757 497236164 /nfs/dbraw/zinc/23/61/64/497236164.db2.gz MPRDQOHPHNGLIP-YWZLYKJASA-N 1 3 359.470 3.063 20 5 FGBDHO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297332457 498408723 /nfs/dbraw/zinc/40/87/23/498408723.db2.gz CWOGJMHXTKUYQX-UHFFFAOYSA-N 1 3 360.845 3.444 20 5 FGBDHO Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167153 498424669 /nfs/dbraw/zinc/42/46/69/498424669.db2.gz LATXJYSGNUKQKG-HUUCEWRRSA-N 1 3 358.442 3.363 20 5 FGBDHO Cc1ccc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000363663115 498930207 /nfs/dbraw/zinc/93/02/07/498930207.db2.gz QPTIDBQFMXGYFO-UHFFFAOYSA-N 1 3 374.529 3.189 20 5 FGBDHO NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530701 500382964 /nfs/dbraw/zinc/38/29/64/500382964.db2.gz RSXQYMKXXUYKQU-NUKYLDQKSA-N 1 3 373.501 3.018 20 5 FGBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530701 500382965 /nfs/dbraw/zinc/38/29/65/500382965.db2.gz RSXQYMKXXUYKQU-NUKYLDQKSA-N 1 3 373.501 3.018 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OCCN(C)C)c1 ZINC000467990915 501922582 /nfs/dbraw/zinc/92/25/82/501922582.db2.gz RKQBDEJFGVHAQJ-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072182 507379933 /nfs/dbraw/zinc/37/99/33/507379933.db2.gz QIJRNWQSIXLGIM-RTWAWAEBSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072182 507379941 /nfs/dbraw/zinc/37/99/41/507379941.db2.gz QIJRNWQSIXLGIM-RTWAWAEBSA-N 1 3 369.465 3.402 20 5 FGBDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109788119 494918171 /nfs/dbraw/zinc/91/81/71/494918171.db2.gz ZJFKITSCEVGWPC-UHFFFAOYSA-N 1 3 362.474 3.038 20 5 FGBDHO O=[N+]([O-])c1ccccc1C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000132779458 494922978 /nfs/dbraw/zinc/92/29/78/494922978.db2.gz UNEBMZWUKZFNEC-UZLBHIALSA-N 1 3 373.497 3.006 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457813 497018460 /nfs/dbraw/zinc/01/84/60/497018460.db2.gz UFDKXRBPICRMSF-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457813 497018466 /nfs/dbraw/zinc/01/84/66/497018466.db2.gz UFDKXRBPICRMSF-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555593 /nfs/dbraw/zinc/55/55/93/500555593.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 1 3 360.502 3.148 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433294069 500663761 /nfs/dbraw/zinc/66/37/61/500663761.db2.gz JOBTWSBSHDEHNL-UFYCRDLUSA-N 1 3 373.497 3.285 20 5 FGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000468635564 502132586 /nfs/dbraw/zinc/13/25/86/502132586.db2.gz QSBFFZLHWLDPOQ-QIPHDZALSA-N 1 3 359.470 3.089 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541915466 504301291 /nfs/dbraw/zinc/30/12/91/504301291.db2.gz NEVYRDFTGVXIJJ-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541915466 504301295 /nfs/dbraw/zinc/30/12/95/504301295.db2.gz NEVYRDFTGVXIJJ-OXJNMPFZSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595069821 507378375 /nfs/dbraw/zinc/37/83/75/507378375.db2.gz LDXPNUJPGIPLIT-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595069821 507378380 /nfs/dbraw/zinc/37/83/80/507378380.db2.gz LDXPNUJPGIPLIT-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235984 496716313 /nfs/dbraw/zinc/71/63/13/496716313.db2.gz WFQNRNYCYHKWIJ-IIBYNOLFSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182235984 496716317 /nfs/dbraw/zinc/71/63/17/496716317.db2.gz WFQNRNYCYHKWIJ-IIBYNOLFSA-N 1 3 369.465 3.402 20 5 FGBDHO CCN1CCN(CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279000730 497298295 /nfs/dbraw/zinc/29/82/95/497298295.db2.gz FUTJYGMBEPHYFL-FQEVSTJZSA-N 1 3 374.529 3.325 20 5 FGBDHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000578323308 505914386 /nfs/dbraw/zinc/91/43/86/505914386.db2.gz CRAMWFSANWHSEM-LSDHHAIUSA-N 1 3 373.453 3.398 20 5 FGBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000268419769 497745848 /nfs/dbraw/zinc/74/58/48/497745848.db2.gz LBVAHSSECOROHQ-UHFFFAOYSA-N 1 3 373.453 3.180 20 5 FGBDHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482559946 502110746 /nfs/dbraw/zinc/11/07/46/502110746.db2.gz YZAQMRHUGAHIAM-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000468631033 502131416 /nfs/dbraw/zinc/13/14/16/502131416.db2.gz JFXSTBSJFNYKDC-JAEPCABDSA-N 1 3 361.486 3.477 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185685 502777665 /nfs/dbraw/zinc/77/76/65/502777665.db2.gz DWCKFVPCKWPESJ-PKOBYXMFSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000481185685 502777674 /nfs/dbraw/zinc/77/76/74/502777674.db2.gz DWCKFVPCKWPESJ-PKOBYXMFSA-N 1 3 369.465 3.474 20 5 FGBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccncc2)CC1 ZINC000501047421 502921697 /nfs/dbraw/zinc/92/16/97/502921697.db2.gz SLWARVPWOWDLCK-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccncc2)CC1 ZINC000501047421 502921699 /nfs/dbraw/zinc/92/16/99/502921699.db2.gz SLWARVPWOWDLCK-UHFFFAOYSA-N 1 3 370.453 3.217 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000173635575 495626020 /nfs/dbraw/zinc/62/60/20/495626020.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000173635575 495626022 /nfs/dbraw/zinc/62/60/22/495626022.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698448 495686649 /nfs/dbraw/zinc/68/66/49/495686649.db2.gz UXRXVIGGBBWXFS-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698448 495686656 /nfs/dbraw/zinc/68/66/56/495686656.db2.gz UXRXVIGGBBWXFS-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185698448 495686662 /nfs/dbraw/zinc/68/66/62/495686662.db2.gz UXRXVIGGBBWXFS-JKSUJKDBSA-N 1 3 374.485 3.166 20 5 FGBDHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246324870 497696204 /nfs/dbraw/zinc/69/62/04/497696204.db2.gz FQUOTRKVIVCPMB-SLFFLAALSA-N 1 3 361.486 3.403 20 5 FGBDHO CN(C)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098863 497741231 /nfs/dbraw/zinc/74/12/31/497741231.db2.gz GIKGYBCXBVALFN-INIZCTEOSA-N 1 3 358.442 3.208 20 5 FGBDHO CN(C)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098863 497741237 /nfs/dbraw/zinc/74/12/37/497741237.db2.gz GIKGYBCXBVALFN-INIZCTEOSA-N 1 3 358.442 3.208 20 5 FGBDHO COc1ccc(-c2ccc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000415002524 499853894 /nfs/dbraw/zinc/85/38/94/499853894.db2.gz DUHBOKWUTFILQA-ZWKOTPCHSA-N 1 3 371.437 3.341 20 5 FGBDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000423296774 500362798 /nfs/dbraw/zinc/36/27/98/500362798.db2.gz ZTYRMCMPAWMAFS-UONOGXRCSA-N 1 3 356.426 3.121 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC([C@H](C)[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000435368410 500960459 /nfs/dbraw/zinc/96/04/59/500960459.db2.gz AFYLETVBBXUNQF-ZDUSSCGKSA-N 1 3 359.426 3.423 20 5 FGBDHO O=[N+]([O-])c1sc(CNCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000602636620 506240449 /nfs/dbraw/zinc/24/04/49/506240449.db2.gz JOKMWSCEMXIPFT-UHFFFAOYSA-N 1 3 374.304 3.383 20 5 FGBDHO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccncc2)CC1 ZINC000501081503 502931493 /nfs/dbraw/zinc/93/14/93/502931493.db2.gz XJQIBGNRELIOCE-UHFFFAOYSA-N 1 3 354.454 3.381 20 5 FGBDHO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccncc2)CC1 ZINC000501081503 502931494 /nfs/dbraw/zinc/93/14/94/502931494.db2.gz XJQIBGNRELIOCE-UHFFFAOYSA-N 1 3 354.454 3.381 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260595 496722119 /nfs/dbraw/zinc/72/21/19/496722119.db2.gz QVBMEMZSQNZYDP-APWZRJJASA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260595 496722121 /nfs/dbraw/zinc/72/21/21/496722121.db2.gz QVBMEMZSQNZYDP-APWZRJJASA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294676057 498769767 /nfs/dbraw/zinc/76/97/67/498769767.db2.gz HWIMNKLICADHLC-CQSZACIVSA-N 1 3 355.442 3.139 20 5 FGBDHO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OCCN(C)C)c1 ZINC000467990914 501922716 /nfs/dbraw/zinc/92/27/16/501922716.db2.gz RKQBDEJFGVHAQJ-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000540158709 503692599 /nfs/dbraw/zinc/69/25/99/503692599.db2.gz XCTUNJUOJKIBDU-YSSFQJQWSA-N 1 3 361.486 3.322 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541915468 504300381 /nfs/dbraw/zinc/30/03/81/504300381.db2.gz NEVYRDFTGVXIJJ-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915468 504300384 /nfs/dbraw/zinc/30/03/84/504300384.db2.gz NEVYRDFTGVXIJJ-UZLBHIALSA-N 1 3 369.465 3.321 20 5 FGBDHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072183 507379415 /nfs/dbraw/zinc/37/94/15/507379415.db2.gz QIJRNWQSIXLGIM-SFTDATJTSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072183 507379421 /nfs/dbraw/zinc/37/94/21/507379421.db2.gz QIJRNWQSIXLGIM-SFTDATJTSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072176 507380080 /nfs/dbraw/zinc/38/00/80/507380080.db2.gz QIJRNWQSIXLGIM-LEWJYISDSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595072176 507380089 /nfs/dbraw/zinc/38/00/89/507380089.db2.gz QIJRNWQSIXLGIM-LEWJYISDSA-N 1 3 369.465 3.402 20 5 FGBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000132779613 494923119 /nfs/dbraw/zinc/92/31/19/494923119.db2.gz UNEBMZWUKZFNEC-OXQOHEQNSA-N 1 3 373.497 3.006 20 5 FGBDHO CC(C)c1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000134105380 495106905 /nfs/dbraw/zinc/10/69/05/495106905.db2.gz ZGJDPNCWNMMQTO-UHFFFAOYSA-N 1 3 361.486 3.262 20 5 FGBDHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260619 496722370 /nfs/dbraw/zinc/72/23/70/496722370.db2.gz QVBMEMZSQNZYDP-LPHOPBHVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000182260619 496722374 /nfs/dbraw/zinc/72/23/74/496722374.db2.gz QVBMEMZSQNZYDP-LPHOPBHVSA-N 1 3 369.465 3.321 20 5 FGBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)n1 ZINC000580991759 505885419 /nfs/dbraw/zinc/88/54/19/505885419.db2.gz RBAVBFPCSPVABB-QZTJIDSGSA-N 1 3 361.490 3.272 20 5 FGBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000580991759 505885422 /nfs/dbraw/zinc/88/54/22/505885422.db2.gz RBAVBFPCSPVABB-QZTJIDSGSA-N 1 3 361.490 3.272 20 5 FGBDHO CC1(C)C[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279144411 497348177 /nfs/dbraw/zinc/34/81/77/497348177.db2.gz SDAWWEMVHZSHKP-YWZLYKJASA-N 1 3 373.497 3.408 20 5 FGBDHO CC[N@H+](C)Cc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000575040100 505909841 /nfs/dbraw/zinc/90/98/41/505909841.db2.gz KIBMBANRIWJBNO-UHFFFAOYSA-N 1 3 370.453 3.165 20 5 FGBDHO CC[N@@H+](C)Cc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000575040100 505909843 /nfs/dbraw/zinc/90/98/43/505909843.db2.gz KIBMBANRIWJBNO-UHFFFAOYSA-N 1 3 370.453 3.165 20 5 FGBDHO C[C@@H](C[NH3+])CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414872288 499839993 /nfs/dbraw/zinc/83/99/93/499839993.db2.gz FSBHEAROWJXVJU-HNNXBMFYSA-N 1 3 365.437 3.132 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561750 500625207 /nfs/dbraw/zinc/62/52/07/500625207.db2.gz JISVAFCIYXSXGZ-XDNAFOTISA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561750 500625209 /nfs/dbraw/zinc/62/52/09/500625209.db2.gz JISVAFCIYXSXGZ-XDNAFOTISA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561750 500625210 /nfs/dbraw/zinc/62/52/10/500625210.db2.gz JISVAFCIYXSXGZ-XDNAFOTISA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449169874 500939725 /nfs/dbraw/zinc/93/97/25/500939725.db2.gz PVCHMZYNOPFXRC-SFHVURJKSA-N 1 3 374.529 3.066 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187281 502777503 /nfs/dbraw/zinc/77/75/03/502777503.db2.gz IUFIXSCCTOHWRF-LAUBAEHRSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187281 502777509 /nfs/dbraw/zinc/77/75/09/502777509.db2.gz IUFIXSCCTOHWRF-LAUBAEHRSA-N 1 3 369.465 3.474 20 5 FGBDHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193215 503467102 /nfs/dbraw/zinc/46/71/02/503467102.db2.gz IAGJKJVYTLLJGD-MNEFBYGVSA-N 1 3 361.486 3.309 20 5 FGBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988508 503690366 /nfs/dbraw/zinc/69/03/66/503690366.db2.gz XWFZAIAEZIWYAK-HOCLYGCPSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988508 503690370 /nfs/dbraw/zinc/69/03/70/503690370.db2.gz XWFZAIAEZIWYAK-HOCLYGCPSA-N 1 3 362.474 3.036 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541915465 504300870 /nfs/dbraw/zinc/30/08/70/504300870.db2.gz NEVYRDFTGVXIJJ-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541915465 504300874 /nfs/dbraw/zinc/30/08/74/504300874.db2.gz NEVYRDFTGVXIJJ-JXFKEZNVSA-N 1 3 369.465 3.321 20 5 FGBDHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065316 507374934 /nfs/dbraw/zinc/37/49/34/507374934.db2.gz AACYOYWIKRVWKM-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065316 507374938 /nfs/dbraw/zinc/37/49/38/507374938.db2.gz AACYOYWIKRVWKM-YWZLYKJASA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OCCN(C)C)cc1 ZINC000090910001 494502808 /nfs/dbraw/zinc/50/28/08/494502808.db2.gz MJBBOWCKFULUFW-INIZCTEOSA-N 1 3 357.454 3.429 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120024764 495291645 /nfs/dbraw/zinc/29/16/45/495291645.db2.gz NPUPMSKHNRYCII-ZDUSSCGKSA-N 1 3 362.474 3.211 20 5 FGBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000120024764 495291647 /nfs/dbraw/zinc/29/16/47/495291647.db2.gz NPUPMSKHNRYCII-ZDUSSCGKSA-N 1 3 362.474 3.211 20 5 FGBDHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450945 497016367 /nfs/dbraw/zinc/01/63/67/497016367.db2.gz PFVJBDDLJSNCSX-RTWAWAEBSA-N 1 3 369.465 3.402 20 5 FGBDHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248450945 497016373 /nfs/dbraw/zinc/01/63/73/497016373.db2.gz PFVJBDDLJSNCSX-RTWAWAEBSA-N 1 3 369.465 3.402 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000192880740 497236271 /nfs/dbraw/zinc/23/62/71/497236271.db2.gz MPRDQOHPHNGLIP-MGPUTAFESA-N 1 3 359.470 3.063 20 5 FGBDHO COc1ccc(-c2ccc(CNCCC[C@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414969730 499850121 /nfs/dbraw/zinc/85/01/21/499850121.db2.gz JIXPRUYAULBFCO-AWEZNQCLSA-N 1 3 359.426 3.485 20 5 FGBDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000576527905 506179904 /nfs/dbraw/zinc/17/99/04/506179904.db2.gz BAYOTZBLZDLWOE-LJQANCHMSA-N 1 3 355.438 3.312 20 5 FGBDHO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530703 500382862 /nfs/dbraw/zinc/38/28/62/500382862.db2.gz RSXQYMKXXUYKQU-QRCVJKPZSA-N 1 3 373.501 3.018 20 5 FGBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000423530703 500382864 /nfs/dbraw/zinc/38/28/64/500382864.db2.gz RSXQYMKXXUYKQU-QRCVJKPZSA-N 1 3 373.501 3.018 20 5 FGBDHO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026074 501895157 /nfs/dbraw/zinc/89/51/57/501895157.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 1 3 351.450 3.201 20 5 FGBDHO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471026074 501895161 /nfs/dbraw/zinc/89/51/61/501895161.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 1 3 351.450 3.201 20 5 FGBDHO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599160972 506352916 /nfs/dbraw/zinc/35/29/16/506352916.db2.gz RHBKCEOQGVRCHE-UHFFFAOYSA-N 1 3 370.453 3.143 20 5 FGBDHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000537630440 503983538 /nfs/dbraw/zinc/98/35/38/503983538.db2.gz WZTIKEPBTPBANX-UHFFFAOYSA-N 1 3 373.453 3.397 20 5 FGBDHO CC(C)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479018 /nfs/dbraw/zinc/47/90/18/506479018.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 1 3 362.518 3.176 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073990 507379174 /nfs/dbraw/zinc/37/91/74/507379174.db2.gz UKDCQOBEYINLBH-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595073990 507379179 /nfs/dbraw/zinc/37/91/79/507379179.db2.gz UKDCQOBEYINLBH-FOIQADDNSA-N 1 3 355.438 3.012 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446430 497013914 /nfs/dbraw/zinc/01/39/14/497013914.db2.gz MYKMRCRZJJWLFZ-IERDGZPVSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248446430 497013919 /nfs/dbraw/zinc/01/39/19/497013919.db2.gz MYKMRCRZJJWLFZ-IERDGZPVSA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460116 497019180 /nfs/dbraw/zinc/01/91/80/497019180.db2.gz WFQNRNYCYHKWIJ-KKSFZXQISA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248460116 497019183 /nfs/dbraw/zinc/01/91/83/497019183.db2.gz WFQNRNYCYHKWIJ-KKSFZXQISA-N 1 3 369.465 3.402 20 5 FGBDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000248826489 497111969 /nfs/dbraw/zinc/11/19/69/497111969.db2.gz GKQNOWKQTVQMMI-YRNRMSPPSA-N 1 3 361.486 3.451 20 5 FGBDHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000569624510 505978699 /nfs/dbraw/zinc/97/86/99/505978699.db2.gz ZSRDXXZAFDIBNC-IBGZPJMESA-N 1 3 355.438 3.312 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000332403945 498679256 /nfs/dbraw/zinc/67/92/56/498679256.db2.gz WEWISXFNZGXJIL-DLBZAZTESA-N 1 3 360.502 3.065 20 5 FGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000332403945 498679261 /nfs/dbraw/zinc/67/92/61/498679261.db2.gz WEWISXFNZGXJIL-DLBZAZTESA-N 1 3 360.502 3.065 20 5 FGBDHO CC(C)c1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415131562 499868062 /nfs/dbraw/zinc/86/80/62/499868062.db2.gz ZLEQDXNYPZWGNQ-FXAWDEMLSA-N 1 3 361.486 3.437 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477922374 501829493 /nfs/dbraw/zinc/82/94/93/501829493.db2.gz YNKPVTGSSDSYET-HNNXBMFYSA-N 1 3 362.474 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477922374 501829494 /nfs/dbraw/zinc/82/94/94/501829494.db2.gz YNKPVTGSSDSYET-HNNXBMFYSA-N 1 3 362.474 3.024 20 5 FGBDHO CC(C)c1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593314319 506532545 /nfs/dbraw/zinc/53/25/45/506532545.db2.gz CGFUATOOQSXZKW-ABSDTBQOSA-N 1 3 361.486 3.437 20 5 FGBDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591347928 507213901 /nfs/dbraw/zinc/21/39/01/507213901.db2.gz FJHHNDURMKKUGE-LAUBAEHRSA-N 1 3 372.513 3.120 20 5 FGBDHO O=[N+]([O-])c1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000595907386 507737513 /nfs/dbraw/zinc/73/75/13/507737513.db2.gz JTOYMSPMUWUFBO-UHFFFAOYSA-N 1 3 369.469 3.165 20 5 FGBDHO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000570827977 505590149 /nfs/dbraw/zinc/59/01/49/505590149.db2.gz ZBGJLSNEXAATMN-MRXNPFEDSA-N 1 3 370.453 3.143 20 5 FGBDHO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OCCN(C)C)cc1 ZINC000090910002 494503190 /nfs/dbraw/zinc/50/31/90/494503190.db2.gz MJBBOWCKFULUFW-MRXNPFEDSA-N 1 3 357.454 3.429 20 5 FGBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000183304797 495923207 /nfs/dbraw/zinc/92/32/07/495923207.db2.gz AFBPULVSLLKQMU-IRXDYDNUSA-N 1 3 361.486 3.224 20 5 FGBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000268409548 497742835 /nfs/dbraw/zinc/74/28/35/497742835.db2.gz HBYISCWCCMTWQR-UHFFFAOYSA-N 1 3 373.453 3.180 20 5 FGBDHO C[NH+]1CCC(Oc2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000284021943 499032179 /nfs/dbraw/zinc/03/21/79/499032179.db2.gz NRJICOPBQOLBSC-UHFFFAOYSA-N 1 3 355.438 3.358 20 5 FGBDHO CCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000431074515 500331789 /nfs/dbraw/zinc/33/17/89/500331789.db2.gz VFEJKQFDQRTJDY-UHFFFAOYSA-N 1 3 358.442 3.256 20 5 FGBDHO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCNCC1 ZINC000431074515 500331791 /nfs/dbraw/zinc/33/17/91/500331791.db2.gz VFEJKQFDQRTJDY-UHFFFAOYSA-N 1 3 358.442 3.256 20 5 FGBDHO CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCNCC1 ZINC000431074515 500331793 /nfs/dbraw/zinc/33/17/93/500331793.db2.gz VFEJKQFDQRTJDY-UHFFFAOYSA-N 1 3 358.442 3.256 20 5 FGBDHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547674 501320009 /nfs/dbraw/zinc/32/00/09/501320009.db2.gz LMCQRSATNVHSBL-FQEVSTJZSA-N 1 3 374.529 3.190 20 5 FGBDHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547674 501320011 /nfs/dbraw/zinc/32/00/11/501320011.db2.gz LMCQRSATNVHSBL-FQEVSTJZSA-N 1 3 374.529 3.190 20 5 FGBDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187284 502777241 /nfs/dbraw/zinc/77/72/41/502777241.db2.gz IUFIXSCCTOHWRF-UWJYYQICSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000481187284 502777245 /nfs/dbraw/zinc/77/72/45/502777245.db2.gz IUFIXSCCTOHWRF-UWJYYQICSA-N 1 3 369.465 3.474 20 5 FGBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690117 /nfs/dbraw/zinc/69/01/17/503690117.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 1 3 362.474 3.036 20 5 FGBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690123 /nfs/dbraw/zinc/69/01/23/503690123.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 1 3 362.474 3.036 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068554 507377959 /nfs/dbraw/zinc/37/79/59/507377959.db2.gz JAYYBAXXSDXJEY-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000595068554 507377968 /nfs/dbraw/zinc/37/79/68/507377968.db2.gz JAYYBAXXSDXJEY-OXQOHEQNSA-N 1 3 369.465 3.321 20 5 FGBDHO Cc1c(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000072725294 494241513 /nfs/dbraw/zinc/24/15/13/494241513.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO Cc1c(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000072725294 494241518 /nfs/dbraw/zinc/24/15/18/494241518.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 1 3 362.474 3.038 20 5 FGBDHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177501758 496088013 /nfs/dbraw/zinc/08/80/13/496088013.db2.gz CSEYQLZDQLNTOJ-CALCHBBNSA-N 1 3 361.486 3.306 20 5 FGBDHO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177501758 496088017 /nfs/dbraw/zinc/08/80/17/496088017.db2.gz CSEYQLZDQLNTOJ-CALCHBBNSA-N 1 3 361.486 3.306 20 5 FGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247102179 496778950 /nfs/dbraw/zinc/77/89/50/496778950.db2.gz SKDKPFLFXCPWNW-SQNIBIBYSA-N 1 3 363.502 3.395 20 5 FGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000192880774 497236404 /nfs/dbraw/zinc/23/64/04/497236404.db2.gz MPRDQOHPHNGLIP-FOIQADDNSA-N 1 3 359.470 3.063 20 5 FGBDHO Cn1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237901981 497311249 /nfs/dbraw/zinc/31/12/49/497311249.db2.gz HUSLUQHYKNAONK-UHFFFAOYSA-N 1 3 371.485 3.348 20 5 FGBDHO CCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432622 497347704 /nfs/dbraw/zinc/34/77/04/497347704.db2.gz BFALIAKWHSUMJE-ZCNNSNEGSA-N 1 3 361.486 3.403 20 5 FGBDHO COc1ccc(-c2ccc(CN3CCC(CC[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000569490928 505948048 /nfs/dbraw/zinc/94/80/48/505948048.db2.gz IGUAUPJJSHXUHN-UHFFFAOYSA-N 1 3 359.426 3.424 20 5 FGBDHO Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302194442 498436433 /nfs/dbraw/zinc/43/64/33/498436433.db2.gz SCAVCJODWZTVOR-UHFFFAOYSA-N 1 3 370.453 3.000 20 5 FGBDHO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000312558339 498760154 /nfs/dbraw/zinc/76/01/54/498760154.db2.gz SMDNXBVQQXWOLQ-PKOBYXMFSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312558339 498760158 /nfs/dbraw/zinc/76/01/58/498760158.db2.gz SMDNXBVQQXWOLQ-PKOBYXMFSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312558339 498760159 /nfs/dbraw/zinc/76/01/59/498760159.db2.gz SMDNXBVQQXWOLQ-PKOBYXMFSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005742 499565629 /nfs/dbraw/zinc/56/56/29/499565629.db2.gz YUWXETSWLPGYAH-DYESRHJHSA-N 1 3 369.465 3.474 20 5 FGBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000398005742 499565631 /nfs/dbraw/zinc/56/56/31/499565631.db2.gz YUWXETSWLPGYAH-DYESRHJHSA-N 1 3 369.465 3.474 20 5 FGBDHO CC[NH+]1CCC(N2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032760 /nfs/dbraw/zinc/03/27/60/500032760.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 1 3 372.513 3.100 20 5 FGBDHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336405 500043669 /nfs/dbraw/zinc/04/36/69/500043669.db2.gz VEOGWWUBXKFSQW-UZLBHIALSA-N 1 3 361.486 3.453 20 5 FGBDHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336405 500043671 /nfs/dbraw/zinc/04/36/71/500043671.db2.gz VEOGWWUBXKFSQW-UZLBHIALSA-N 1 3 361.486 3.453 20 5 FGBDHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447518960 500615938 /nfs/dbraw/zinc/61/59/38/500615938.db2.gz PNBGNRIRRZKFAQ-MSOLQXFVSA-N 1 3 357.458 3.126 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561754 500625000 /nfs/dbraw/zinc/62/50/00/500625000.db2.gz JISVAFCIYXSXGZ-XWTMOSNGSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561754 500625003 /nfs/dbraw/zinc/62/50/03/500625003.db2.gz JISVAFCIYXSXGZ-XWTMOSNGSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447561754 500625005 /nfs/dbraw/zinc/62/50/05/500625005.db2.gz JISVAFCIYXSXGZ-XWTMOSNGSA-N 1 3 363.506 3.233 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094824 506255372 /nfs/dbraw/zinc/25/53/72/506255372.db2.gz MPGMRFXQGAINHL-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094824 506255381 /nfs/dbraw/zinc/25/53/81/506255381.db2.gz MPGMRFXQGAINHL-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596094824 506255386 /nfs/dbraw/zinc/25/53/86/506255386.db2.gz MPGMRFXQGAINHL-DOTOQJQBSA-N 1 3 374.485 3.024 20 5 FGBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000602782618 506297248 /nfs/dbraw/zinc/29/72/48/506297248.db2.gz DWCHFSJSYHKVPA-INIZCTEOSA-N 1 3 363.506 3.076 20 5 FGBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000602782618 506297251 /nfs/dbraw/zinc/29/72/51/506297251.db2.gz DWCHFSJSYHKVPA-INIZCTEOSA-N 1 3 363.506 3.076 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000499965027 503523315 /nfs/dbraw/zinc/52/33/15/503523315.db2.gz GRRNMSVIYIDVCC-CYBMUJFWSA-N 1 3 362.474 3.211 20 5 FGBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000499965027 503523320 /nfs/dbraw/zinc/52/33/20/503523320.db2.gz GRRNMSVIYIDVCC-CYBMUJFWSA-N 1 3 362.474 3.211 20 5 FGBDHO