smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000430201505 835028838 /nfs/dbraw/zinc/02/88/38/835028838.db2.gz KBLMTLBOEGTEQZ-UHFFFAOYSA-N 1 3 384.480 3.737 20 5 GHBDHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000414310002 837033955 /nfs/dbraw/zinc/03/39/55/837033955.db2.gz SNUWNZOODWKQMY-SFHVURJKSA-N 1 3 383.492 3.581 20 5 GHBDHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414803414 838847284 /nfs/dbraw/zinc/84/72/84/838847284.db2.gz NVKQRLRVUSXGNP-QUCCMNQESA-N 1 3 399.491 3.790 20 5 GHBDHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414803413 838847336 /nfs/dbraw/zinc/84/73/36/838847336.db2.gz NVKQRLRVUSXGNP-ICSRJNTNSA-N 1 3 399.491 3.790 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000489143244 852044977 /nfs/dbraw/zinc/04/49/77/852044977.db2.gz XVLXWPWNNDMAEM-KURKYZTESA-N 1 3 375.513 3.785 20 5 GHBDHO COc1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011288 /nfs/dbraw/zinc/01/12/88/856011288.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 1 3 385.464 3.920 20 5 GHBDHO COc1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011294 /nfs/dbraw/zinc/01/12/94/856011294.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 1 3 385.464 3.920 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cc1 ZINC000765458055 859978325 /nfs/dbraw/zinc/97/83/25/859978325.db2.gz PSYYPZPVFADHHW-UHFFFAOYSA-N 1 3 386.540 3.808 20 5 GHBDHO [NH3+]C1(c2ccc(F)cc2)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904497 905926534 /nfs/dbraw/zinc/92/65/34/905926534.db2.gz NZUGOEZUVDATJQ-HXUWFJFHSA-N 1 3 383.467 3.931 20 5 GHBDHO [NH3+]C1(c2ccc(F)cc2)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904492 905927807 /nfs/dbraw/zinc/92/78/07/905927807.db2.gz NZUGOEZUVDATJQ-FQEVSTJZSA-N 1 3 383.467 3.931 20 5 GHBDHO CC[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246485481 1037433289 /nfs/dbraw/zinc/43/32/89/1037433289.db2.gz UUZGAYUHSKYKRD-MSOLQXFVSA-N 1 3 390.531 3.628 20 5 GHBDHO COc1ccc(C[C@H](C)N(Cc2ccccc2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246913470 1037721739 /nfs/dbraw/zinc/72/17/39/1037721739.db2.gz JNGJZGLIOLSOHQ-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246913470 1037721748 /nfs/dbraw/zinc/72/17/48/1037721748.db2.gz JNGJZGLIOLSOHQ-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246913470 1037721773 /nfs/dbraw/zinc/72/17/73/1037721773.db2.gz JNGJZGLIOLSOHQ-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)CC2)cc1 ZINC001254476636 1040264806 /nfs/dbraw/zinc/26/48/06/1040264806.db2.gz VADAZQZYKSSIMB-IBGZPJMESA-N 1 3 398.551 3.974 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000513786497 847576446 /nfs/dbraw/zinc/57/64/46/847576446.db2.gz IATSJNSAVPBHIE-ANTGDGSKSA-N 1 3 389.540 3.785 20 5 GHBDHO Cc1c(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000426827509 852442345 /nfs/dbraw/zinc/44/23/45/852442345.db2.gz SHLOVMHTSKGNOC-IAGOWNOFSA-N 1 3 375.513 3.615 20 5 GHBDHO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389271 856901719 /nfs/dbraw/zinc/90/17/19/856901719.db2.gz NCYIXRQJHYZPJE-CVEARBPZSA-N 1 3 386.471 3.898 20 5 GHBDHO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539861774 869910853 /nfs/dbraw/zinc/91/08/53/869910853.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 1 3 383.492 3.947 20 5 GHBDHO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539861774 869910862 /nfs/dbraw/zinc/91/08/62/869910862.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 1 3 383.492 3.947 20 5 GHBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054855 871135855 /nfs/dbraw/zinc/13/58/55/871135855.db2.gz NWCHZMPBOLFTIH-CRAIPNDOSA-N 1 3 385.430 3.705 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000540988351 872682751 /nfs/dbraw/zinc/68/27/51/872682751.db2.gz KILNUELEASIVDD-DYESRHJHSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000540988351 872682759 /nfs/dbraw/zinc/68/27/59/872682759.db2.gz KILNUELEASIVDD-DYESRHJHSA-N 1 3 383.492 3.711 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585899 878236337 /nfs/dbraw/zinc/23/63/37/878236337.db2.gz CSGYDZBEAAKOEL-DYESRHJHSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585899 878236353 /nfs/dbraw/zinc/23/63/53/878236353.db2.gz CSGYDZBEAAKOEL-DYESRHJHSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000866388674 888853666 /nfs/dbraw/zinc/85/36/66/888853666.db2.gz MBDFDPPDSHUTBJ-MRXNPFEDSA-N 1 3 386.471 3.562 20 5 GHBDHO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC12CCOCC2 ZINC000570682728 899504228 /nfs/dbraw/zinc/50/42/28/899504228.db2.gz NJEKTCGUMPOKTP-HNNXBMFYSA-N 1 3 387.505 3.511 20 5 GHBDHO CCCCN(C)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011463 906088945 /nfs/dbraw/zinc/08/89/45/906088945.db2.gz DMCWNNOYIMEETK-UHFFFAOYSA-N 1 3 384.471 3.553 20 5 GHBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001173225371 906306686 /nfs/dbraw/zinc/30/66/86/906306686.db2.gz JODACEJFHHFPFY-IBGZPJMESA-N 1 3 394.519 3.909 20 5 GHBDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000179392764 906491883 /nfs/dbraw/zinc/49/18/83/906491883.db2.gz XSEXFBCDAKBSKG-UHFFFAOYSA-N 1 3 395.463 3.870 20 5 GHBDHO CCC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268634 907174133 /nfs/dbraw/zinc/17/41/33/907174133.db2.gz CPDKOLPGKHKOKJ-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268634 907174139 /nfs/dbraw/zinc/17/41/39/907174139.db2.gz CPDKOLPGKHKOKJ-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268653 907174321 /nfs/dbraw/zinc/17/43/21/907174321.db2.gz CPDKOLPGKHKOKJ-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268653 907174327 /nfs/dbraw/zinc/17/43/27/907174327.db2.gz CPDKOLPGKHKOKJ-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000781424791 930840117 /nfs/dbraw/zinc/84/01/17/930840117.db2.gz DFORYHOVZJSMGB-ZWKOTPCHSA-N 1 3 386.540 3.806 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246390253 1037350101 /nfs/dbraw/zinc/35/01/01/1037350101.db2.gz JCHNREISPGLTCF-GOSISDBHSA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccccc3Cl)CCNCC1)C2 ZINC001246390253 1037350119 /nfs/dbraw/zinc/35/01/19/1037350119.db2.gz JCHNREISPGLTCF-GOSISDBHSA-N 1 3 385.895 3.670 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936758 1037743070 /nfs/dbraw/zinc/74/30/70/1037743070.db2.gz JNIKNDPZRPLXAV-IRXDYDNUSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936758 1037743092 /nfs/dbraw/zinc/74/30/92/1037743092.db2.gz JNIKNDPZRPLXAV-IRXDYDNUSA-N 1 3 375.513 3.779 20 5 GHBDHO O=[N+]([O-])c1ccc(OCCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000432659781 843368979 /nfs/dbraw/zinc/36/89/79/843368979.db2.gz QRDISVQDOXARKO-IBGZPJMESA-N 1 3 387.505 3.679 20 5 GHBDHO O=[N+]([O-])c1ccc(OCCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000432659782 843369064 /nfs/dbraw/zinc/36/90/64/843369064.db2.gz QRDISVQDOXARKO-LJQANCHMSA-N 1 3 387.505 3.679 20 5 GHBDHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424366069 850407716 /nfs/dbraw/zinc/40/77/16/850407716.db2.gz IIOVSIWXSQNEIZ-RTBURBONSA-N 1 3 385.464 3.542 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143243 852045030 /nfs/dbraw/zinc/04/50/30/852045030.db2.gz XVLXWPWNNDMAEM-KSZLIROESA-N 1 3 375.513 3.785 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143243 852045040 /nfs/dbraw/zinc/04/50/40/852045040.db2.gz XVLXWPWNNDMAEM-KSZLIROESA-N 1 3 375.513 3.785 20 5 GHBDHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151353757 852980423 /nfs/dbraw/zinc/98/04/23/852980423.db2.gz MUZQLWPTLKSKDJ-HNNXBMFYSA-N 1 3 389.521 3.821 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482157292 862751567 /nfs/dbraw/zinc/75/15/67/862751567.db2.gz OCJPPQFZTUNDGD-PXNSSMCTSA-N 1 3 390.528 3.722 20 5 GHBDHO C[NH+]1CCC(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)CC1 ZINC000301849349 858218401 /nfs/dbraw/zinc/21/84/01/858218401.db2.gz DACNBWHLGPWEJJ-UHFFFAOYSA-N 1 3 395.507 3.627 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000595064780 858368487 /nfs/dbraw/zinc/36/84/87/858368487.db2.gz BDDYNUHVJFBINH-JOCHJYFZSA-N 1 3 380.492 3.869 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595908659 858715464 /nfs/dbraw/zinc/71/54/64/858715464.db2.gz OLFYAKNRTWENTQ-OAHLLOKOSA-N 1 3 383.496 3.726 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595908659 858715468 /nfs/dbraw/zinc/71/54/68/858715468.db2.gz OLFYAKNRTWENTQ-OAHLLOKOSA-N 1 3 383.496 3.726 20 5 GHBDHO Cc1ccc(C[NH+]2C[C@@H]3CN([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223668 906305808 /nfs/dbraw/zinc/30/58/08/906305808.db2.gz GMCAQLPFJNDCBE-STZQEDGTSA-N 1 3 379.504 3.898 20 5 GHBDHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414792597 838843298 /nfs/dbraw/zinc/84/32/98/838843298.db2.gz CLKDDDQUJNSREI-AZUAARDMSA-N 1 3 399.491 3.790 20 5 GHBDHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414928070 838982806 /nfs/dbraw/zinc/98/28/06/838982806.db2.gz PUXXYRBMRHCOEK-ZWKOTPCHSA-N 1 3 385.464 3.542 20 5 GHBDHO [NH3+][C@H]1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414922442 838987920 /nfs/dbraw/zinc/98/79/20/838987920.db2.gz GSUTWQQPQFIPCW-RBUKOAKNSA-N 1 3 391.475 3.807 20 5 GHBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000415123106 839244357 /nfs/dbraw/zinc/24/43/57/839244357.db2.gz KYLVHSCPOALKSI-LAUBAEHRSA-N 1 3 385.464 3.573 20 5 GHBDHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000435392060 850459151 /nfs/dbraw/zinc/45/91/51/850459151.db2.gz ZMKMRCVTTTUMSA-UHFFFAOYSA-N 1 3 393.871 3.838 20 5 GHBDHO Cc1cc([N+](=O)[O-])cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1F ZINC001170528219 885544529 /nfs/dbraw/zinc/54/45/29/885544529.db2.gz GDNSBOFXXWEMTJ-UHFFFAOYSA-N 1 3 396.466 3.952 20 5 GHBDHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153322974 887653014 /nfs/dbraw/zinc/65/30/14/887653014.db2.gz RYYWDYXAZGXSRK-BBWFWOEESA-N 1 3 379.501 3.534 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(Cc2ccccc2)C[C@H](C)C[NH3+])c1F ZINC001173181506 906261946 /nfs/dbraw/zinc/26/19/46/906261946.db2.gz FDCIDBGQDLDMTM-HZPDHXFCSA-N 1 3 389.471 3.771 20 5 GHBDHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284294816 911817277 /nfs/dbraw/zinc/81/72/77/911817277.db2.gz UNYIWBKMAQOQGP-HNNXBMFYSA-N 1 3 384.480 3.501 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)C2 ZINC001254585794 1040359845 /nfs/dbraw/zinc/35/98/45/1040359845.db2.gz OIDDCDNZNWVQFU-HXUWFJFHSA-N 1 3 383.467 3.703 20 5 GHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830306 852417259 /nfs/dbraw/zinc/41/72/59/852417259.db2.gz XFEQRRQIDFIGTJ-KSZLIROESA-N 1 3 375.513 3.867 20 5 GHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830306 852417268 /nfs/dbraw/zinc/41/72/68/852417268.db2.gz XFEQRRQIDFIGTJ-KSZLIROESA-N 1 3 375.513 3.867 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066104 858369083 /nfs/dbraw/zinc/36/90/83/858369083.db2.gz BYGIPOOQYQWPQF-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066104 858369090 /nfs/dbraw/zinc/36/90/90/858369090.db2.gz BYGIPOOQYQWPQF-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881460363 /nfs/dbraw/zinc/46/03/63/881460363.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 1 3 395.503 3.598 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881460527 /nfs/dbraw/zinc/46/05/27/881460527.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 1 3 395.503 3.598 20 5 GHBDHO CCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090522335 885433647 /nfs/dbraw/zinc/43/36/47/885433647.db2.gz PMRCRNRCKCJVBE-ACRUOGEOSA-N 1 3 375.513 3.794 20 5 GHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271123868 910789536 /nfs/dbraw/zinc/78/95/36/910789536.db2.gz JZZXIZYHLZQJGQ-IAGOWNOFSA-N 1 3 393.553 3.556 20 5 GHBDHO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000781424789 930839932 /nfs/dbraw/zinc/83/99/32/930839932.db2.gz DFORYHOVZJSMGB-QZTJIDSGSA-N 1 3 386.540 3.806 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423399 930840440 /nfs/dbraw/zinc/84/04/40/930840440.db2.gz PSQXXILWLZKXGY-KZKAQZJJSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423399 930840447 /nfs/dbraw/zinc/84/04/47/930840447.db2.gz PSQXXILWLZKXGY-KZKAQZJJSA-N 1 3 395.503 3.519 20 5 GHBDHO Cc1ccc2c(c1)[C@H](Nc1cc3c(cc1[N+](=O)[O-])CNC3)CC21CC[NH2+]CC1 ZINC001163034830 1026017294 /nfs/dbraw/zinc/01/72/94/1026017294.db2.gz WQALWSFAXIASKN-HXUWFJFHSA-N 1 3 378.476 3.685 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001246978253 1037802317 /nfs/dbraw/zinc/80/23/17/1037802317.db2.gz HDKCEAVVQVMPII-HNNXBMFYSA-N 1 3 393.503 3.775 20 5 GHBDHO COc1cc(N2CCC([NH+]3C(C)(C)CC(N)CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256087128 1041517287 /nfs/dbraw/zinc/51/72/87/1041517287.db2.gz PBGQRKQYUYKSSB-UHFFFAOYSA-N 1 3 390.528 3.553 20 5 GHBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906862 1050154763 /nfs/dbraw/zinc/15/47/63/1050154763.db2.gz WBYDCHGRDSYOGV-UZLBHIALSA-N 1 3 388.512 3.699 20 5 GHBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906862 1050154773 /nfs/dbraw/zinc/15/47/73/1050154773.db2.gz WBYDCHGRDSYOGV-UZLBHIALSA-N 1 3 388.512 3.699 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415101482 839205299 /nfs/dbraw/zinc/20/52/99/839205299.db2.gz BNDDJRYVJNGYQW-TZIWHRDSSA-N 1 3 385.464 3.573 20 5 GHBDHO CCOc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000595067375 858369676 /nfs/dbraw/zinc/36/96/76/858369676.db2.gz PCXWDBGHQRYVNL-KRWDZBQOSA-N 1 3 398.507 3.951 20 5 GHBDHO COc1ccc(C[C@@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387716 /nfs/dbraw/zinc/38/77/16/881387716.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 1 3 397.519 3.988 20 5 GHBDHO COc1ccc(C[C@@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387736 /nfs/dbraw/zinc/38/77/36/881387736.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 1 3 397.519 3.988 20 5 GHBDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCOc1cccc([N+](=O)[O-])c1 ZINC000460355209 872955745 /nfs/dbraw/zinc/95/57/45/872955745.db2.gz WLXZGWHGNFEUIF-ROUUACIJSA-N 1 3 383.492 3.720 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565389346 895586083 /nfs/dbraw/zinc/58/60/83/895586083.db2.gz BKVLJPCLWFNLLH-HDICACEKSA-N 1 3 375.513 3.615 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565389346 895586090 /nfs/dbraw/zinc/58/60/90/895586090.db2.gz BKVLJPCLWFNLLH-HDICACEKSA-N 1 3 375.513 3.615 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565389346 895586098 /nfs/dbraw/zinc/58/60/98/895586098.db2.gz BKVLJPCLWFNLLH-HDICACEKSA-N 1 3 375.513 3.615 20 5 GHBDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960110 896266881 /nfs/dbraw/zinc/26/68/81/896266881.db2.gz XNFBMIZDEUTVIJ-VGOFRKELSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960110 896266893 /nfs/dbraw/zinc/26/68/93/896266893.db2.gz XNFBMIZDEUTVIJ-VGOFRKELSA-N 1 3 383.492 3.650 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000570497640 899344674 /nfs/dbraw/zinc/34/46/74/899344674.db2.gz VGCBRFASSUGWOT-GOSISDBHSA-N 1 3 383.492 3.581 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001172916849 905988493 /nfs/dbraw/zinc/98/84/93/905988493.db2.gz UFPGKIPKAVHRTJ-LJQANCHMSA-N 1 3 375.488 3.741 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317527 /nfs/dbraw/zinc/31/75/27/906317527.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 1 3 379.504 3.980 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317543 /nfs/dbraw/zinc/31/75/43/906317543.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 1 3 379.504 3.980 20 5 GHBDHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC001116821319 933776202 /nfs/dbraw/zinc/77/62/02/933776202.db2.gz LEFGAABTVVAAGP-HSZRJFAPSA-N 1 3 394.519 3.509 20 5 GHBDHO COc1ccc(C[C@@H](C)N(Cc2ccccc2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246914072 1037721117 /nfs/dbraw/zinc/72/11/17/1037721117.db2.gz JNGJZGLIOLSOHQ-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246914072 1037721135 /nfs/dbraw/zinc/72/11/35/1037721135.db2.gz JNGJZGLIOLSOHQ-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246914072 1037721155 /nfs/dbraw/zinc/72/11/55/1037721155.db2.gz JNGJZGLIOLSOHQ-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936771 1037741848 /nfs/dbraw/zinc/74/18/48/1037741848.db2.gz JOUQOLLBFMWSAW-JKSUJKDBSA-N 1 3 393.503 3.918 20 5 GHBDHO COc1ccc(C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CCNCC2)cc1 ZINC001246955331 1037764459 /nfs/dbraw/zinc/76/44/59/1037764459.db2.gz RZPCGOMBURLFLT-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CCNCC2)cc1 ZINC001246955331 1037764483 /nfs/dbraw/zinc/76/44/83/1037764483.db2.gz RZPCGOMBURLFLT-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)cc1 ZINC001246955331 1037764501 /nfs/dbraw/zinc/76/45/01/1037764501.db2.gz RZPCGOMBURLFLT-QGZVFWFLSA-N 1 3 383.492 3.789 20 5 GHBDHO C[NH+](C)CC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001254465732 1040252539 /nfs/dbraw/zinc/25/25/39/1040252539.db2.gz IWAKLNXCIMRWGL-JOCHJYFZSA-N 1 3 382.508 3.846 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001254479453 1040266192 /nfs/dbraw/zinc/26/61/92/1040266192.db2.gz ZWEJNJSTOWPVHG-FQEVSTJZSA-N 1 3 386.540 3.904 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001254479453 1040266205 /nfs/dbraw/zinc/26/62/05/1040266205.db2.gz ZWEJNJSTOWPVHG-FQEVSTJZSA-N 1 3 386.540 3.904 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374219 /nfs/dbraw/zinc/37/42/19/1040374219.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374237 /nfs/dbraw/zinc/37/42/37/1040374237.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374397 /nfs/dbraw/zinc/37/43/97/1040374397.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374411 /nfs/dbraw/zinc/37/44/11/1040374411.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 1 3 377.488 3.660 20 5 GHBDHO Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000414302171 836996455 /nfs/dbraw/zinc/99/64/55/836996455.db2.gz KEMBASFSYONIOX-SFHVURJKSA-N 1 3 383.492 3.581 20 5 GHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830307 852417818 /nfs/dbraw/zinc/41/78/18/852417818.db2.gz XFEQRRQIDFIGTJ-KURKYZTESA-N 1 3 375.513 3.867 20 5 GHBDHO COc1ccc(C[C@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389905 /nfs/dbraw/zinc/38/99/05/881389905.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 1 3 397.519 3.988 20 5 GHBDHO COc1ccc(C[C@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389923 /nfs/dbraw/zinc/38/99/23/881389923.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 1 3 397.519 3.988 20 5 GHBDHO Cc1cccc(N2CC[NH+](CCCCNCc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000237722269 877880925 /nfs/dbraw/zinc/88/09/25/877880925.db2.gz NKBULXBSEKOPJF-UHFFFAOYSA-N 1 3 388.537 3.657 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585900 878235748 /nfs/dbraw/zinc/23/57/48/878235748.db2.gz CSGYDZBEAAKOEL-LAUBAEHRSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585900 878235749 /nfs/dbraw/zinc/23/57/49/878235749.db2.gz CSGYDZBEAAKOEL-LAUBAEHRSA-N 1 3 375.513 3.605 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277346 885198240 /nfs/dbraw/zinc/19/82/40/885198240.db2.gz QSGHIUQZSJKTJB-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277346 885198255 /nfs/dbraw/zinc/19/82/55/885198255.db2.gz QSGHIUQZSJKTJB-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819323715 896567761 /nfs/dbraw/zinc/56/77/61/896567761.db2.gz PJJKXZMTKFNWPO-SIKLNZKXSA-N 1 3 383.492 3.520 20 5 GHBDHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000575321026 901190406 /nfs/dbraw/zinc/19/04/06/901190406.db2.gz PWJCWRSJCZJRMZ-UHFFFAOYSA-N 1 3 399.491 3.743 20 5 GHBDHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012099 906089924 /nfs/dbraw/zinc/08/99/24/906089924.db2.gz NWFRQAPXLYTABY-HNNXBMFYSA-N 1 3 396.482 3.696 20 5 GHBDHO COc1ccc(C2(N[C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[NH2+]CC2)cc1 ZINC001246379395 1037337531 /nfs/dbraw/zinc/33/75/31/1037337531.db2.gz DEYCONHNGIVNBG-HXUWFJFHSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375378 /nfs/dbraw/zinc/37/53/78/1040375378.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375382 /nfs/dbraw/zinc/37/53/82/1040375382.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 1 3 377.488 3.660 20 5 GHBDHO CC1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236623473 838627982 /nfs/dbraw/zinc/62/79/82/838627982.db2.gz SLVOXXQLFKMDSN-INIZCTEOSA-N 1 3 389.521 3.506 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132697053 861397617 /nfs/dbraw/zinc/39/76/17/861397617.db2.gz VCZAKIITVLFVNM-KRWDZBQOSA-N 1 3 383.492 3.711 20 5 GHBDHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322752 849856783 /nfs/dbraw/zinc/85/67/83/849856783.db2.gz GTWZBXUGYQKMAF-CZAAIQMYSA-N 1 3 383.492 3.660 20 5 GHBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595066684 858369392 /nfs/dbraw/zinc/36/93/92/858369392.db2.gz LYGIYIRGYGODQX-SFHVURJKSA-N 1 3 382.508 3.813 20 5 GHBDHO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093735028 860340283 /nfs/dbraw/zinc/34/02/83/860340283.db2.gz LXNJZNAWOAEKFD-UHFFFAOYSA-N 1 3 399.491 3.932 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814640091 893030704 /nfs/dbraw/zinc/03/07/04/893030704.db2.gz RHEXOFJPCDVQGU-JOCHJYFZSA-N 1 3 395.503 3.616 20 5 GHBDHO C[C@H]1CC([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[C@H](C)N1 ZINC001246484857 1037430987 /nfs/dbraw/zinc/43/09/87/1037430987.db2.gz RYTDUGPWKUZQOD-IRXDYDNUSA-N 1 3 390.531 3.627 20 5 GHBDHO CC1(C)C[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240210 843890270 /nfs/dbraw/zinc/89/02/70/843890270.db2.gz NMDQVTAZIBGSFY-KNQAVFIVSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240210 843890275 /nfs/dbraw/zinc/89/02/75/843890275.db2.gz NMDQVTAZIBGSFY-KNQAVFIVSA-N 1 3 395.503 3.674 20 5 GHBDHO COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499028 845552822 /nfs/dbraw/zinc/55/28/22/845552822.db2.gz DBGCYYNCUSBPIM-WMZOPIPTSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499028 845552833 /nfs/dbraw/zinc/55/28/33/845552833.db2.gz DBGCYYNCUSBPIM-WMZOPIPTSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499025 845552933 /nfs/dbraw/zinc/55/29/33/845552933.db2.gz DBGCYYNCUSBPIM-AEFFLSMTSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499025 845552943 /nfs/dbraw/zinc/55/29/43/845552943.db2.gz DBGCYYNCUSBPIM-AEFFLSMTSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414792600 850496185 /nfs/dbraw/zinc/49/61/85/850496185.db2.gz CLKDDDQUJNSREI-ICSRJNTNSA-N 1 3 399.491 3.790 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000447563089 871871865 /nfs/dbraw/zinc/87/18/65/871871865.db2.gz OBDQJQCTKMABMV-RTBURBONSA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000447563089 871871889 /nfs/dbraw/zinc/87/18/89/871871889.db2.gz OBDQJQCTKMABMV-RTBURBONSA-N 1 3 375.517 3.662 20 5 GHBDHO CCOc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153322872 887651660 /nfs/dbraw/zinc/65/16/60/887651660.db2.gz RYYWDYXAZGXSRK-IXDOHACOSA-N 1 3 379.501 3.534 20 5 GHBDHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578360 894015406 /nfs/dbraw/zinc/01/54/06/894015406.db2.gz MTHRJCKPXAIMHW-INIZCTEOSA-N 1 3 384.480 3.502 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000468626962 1015855919 /nfs/dbraw/zinc/85/59/19/1015855919.db2.gz JZXFWMOHVSXJFJ-XMHGGMMESA-N 1 3 394.519 3.535 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccc3F)CCNCC1)CC2 ZINC001246427666 1037386205 /nfs/dbraw/zinc/38/62/05/1037386205.db2.gz FKDWBJQOBYAZSQ-GOSISDBHSA-N 1 3 383.467 3.850 20 5 GHBDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632194 1037519327 /nfs/dbraw/zinc/51/93/27/1037519327.db2.gz UVZRGJAUHNMDBV-KRWDZBQOSA-N 1 3 395.503 3.671 20 5 GHBDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632194 1037519334 /nfs/dbraw/zinc/51/93/34/1037519334.db2.gz UVZRGJAUHNMDBV-KRWDZBQOSA-N 1 3 395.503 3.671 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001246950025 1037752664 /nfs/dbraw/zinc/75/26/64/1037752664.db2.gz OMBMAWIIIUWEOZ-CQSZACIVSA-N 1 3 381.492 3.774 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CC(C)(C)C)C2CCNCC2)c1F ZINC001246950025 1037752687 /nfs/dbraw/zinc/75/26/87/1037752687.db2.gz OMBMAWIIIUWEOZ-CQSZACIVSA-N 1 3 381.492 3.774 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CC(C)(C)C)C2CCNCC2)c1F ZINC001246950025 1037752708 /nfs/dbraw/zinc/75/27/08/1037752708.db2.gz OMBMAWIIIUWEOZ-CQSZACIVSA-N 1 3 381.492 3.774 20 5 GHBDHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414930154 838987028 /nfs/dbraw/zinc/98/70/28/838987028.db2.gz SNLJHFXUCNTAOQ-QZTJIDSGSA-N 1 3 385.464 3.542 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415101467 839204789 /nfs/dbraw/zinc/20/47/89/839204789.db2.gz BNDDJRYVJNGYQW-CTNGQTDRSA-N 1 3 385.464 3.573 20 5 GHBDHO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389260 856902108 /nfs/dbraw/zinc/90/21/08/856902108.db2.gz NCYIXRQJHYZPJE-HOTGVXAUSA-N 1 3 386.471 3.898 20 5 GHBDHO CC(C)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973533 858335886 /nfs/dbraw/zinc/33/58/86/858335886.db2.gz FDORDHLQCFCIOF-HXUWFJFHSA-N 1 3 383.492 3.575 20 5 GHBDHO CC(C)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973533 858335891 /nfs/dbraw/zinc/33/58/91/858335891.db2.gz FDORDHLQCFCIOF-HXUWFJFHSA-N 1 3 383.492 3.575 20 5 GHBDHO CC1(C)C[C@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074803 858411408 /nfs/dbraw/zinc/41/14/08/858411408.db2.gz WUFQBDWGZNJJMY-UGKGYDQZSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074803 858411412 /nfs/dbraw/zinc/41/14/12/858411412.db2.gz WUFQBDWGZNJJMY-UGKGYDQZSA-N 1 3 395.503 3.674 20 5 GHBDHO COc1ccc(C[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319659 881353795 /nfs/dbraw/zinc/35/37/95/881353795.db2.gz XYUOWUGLNXEHCE-MRXNPFEDSA-N 1 3 375.513 3.921 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319659 881353812 /nfs/dbraw/zinc/35/38/12/881353812.db2.gz XYUOWUGLNXEHCE-MRXNPFEDSA-N 1 3 375.513 3.921 20 5 GHBDHO C[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3s2)(N2CCCCC2)CC1 ZINC000742419405 867286138 /nfs/dbraw/zinc/28/61/38/867286138.db2.gz GBWBLHUQAYYKCN-UHFFFAOYSA-N 1 3 389.525 3.567 20 5 GHBDHO CSC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000811513558 889709988 /nfs/dbraw/zinc/70/99/88/889709988.db2.gz KDPKPPVETHUBJV-UHFFFAOYSA-N 1 3 378.325 3.819 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000818987564 896307224 /nfs/dbraw/zinc/30/72/24/896307224.db2.gz ZMKKRSXPNIQLTJ-QFIPXVFZSA-N 1 3 383.492 3.794 20 5 GHBDHO COc1cccc(C2([NH3+])CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172900082 905921760 /nfs/dbraw/zinc/92/17/60/905921760.db2.gz BVXFYQSWKFJORP-FQEVSTJZSA-N 1 3 395.503 3.801 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1F ZINC001173184950 906265593 /nfs/dbraw/zinc/26/55/93/906265593.db2.gz SXUUDEOTPQWLEP-AWEZNQCLSA-N 1 3 379.476 3.670 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001326144768 1057422287 /nfs/dbraw/zinc/42/22/87/1057422287.db2.gz VGDBODFTNLMMMR-UYRXBGFRSA-N 1 3 394.519 3.535 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000513786500 847576578 /nfs/dbraw/zinc/57/65/78/847576578.db2.gz IATSJNSAVPBHIE-YOUFYPILSA-N 1 3 389.540 3.785 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482161611 862758271 /nfs/dbraw/zinc/75/82/71/862758271.db2.gz DXRAYPHMLUEXSO-MJGOQNOKSA-N 1 3 390.528 3.722 20 5 GHBDHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446052 856460061 /nfs/dbraw/zinc/46/00/61/856460061.db2.gz MWPZELLFOPTYFS-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446052 856460072 /nfs/dbraw/zinc/46/00/72/856460072.db2.gz MWPZELLFOPTYFS-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO CC1(C)C[C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074801 858411338 /nfs/dbraw/zinc/41/13/38/858411338.db2.gz WUFQBDWGZNJJMY-KNQAVFIVSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074801 858411346 /nfs/dbraw/zinc/41/13/46/858411346.db2.gz WUFQBDWGZNJJMY-KNQAVFIVSA-N 1 3 395.503 3.674 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351723 881498530 /nfs/dbraw/zinc/49/85/30/881498530.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 1 3 375.513 3.873 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351723 881498538 /nfs/dbraw/zinc/49/85/38/881498538.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 1 3 375.513 3.873 20 5 GHBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC001199678864 875122174 /nfs/dbraw/zinc/12/21/74/875122174.db2.gz QSZARYSBLCHADM-UHFFFAOYSA-N 1 3 383.492 3.995 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000819059208 896346132 /nfs/dbraw/zinc/34/61/32/896346132.db2.gz JBHCKAOFNHCIBD-QFIPXVFZSA-N 1 3 383.492 3.794 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CCN(Cc4ccoc4)C3)CC1)C2 ZINC001254595017 1040367637 /nfs/dbraw/zinc/36/76/37/1040367637.db2.gz HWGZATSNIGXGQN-OAQYLSRUSA-N 1 3 381.476 3.643 20 5 GHBDHO Cc1nc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]c1C ZINC001473801788 1074149535 /nfs/dbraw/zinc/14/95/35/1074149535.db2.gz HZLICURHJQTIBC-CQSZACIVSA-N 1 3 396.451 3.925 20 5 GHBDHO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000179987753 836532727 /nfs/dbraw/zinc/53/27/27/836532727.db2.gz LSGKYWGAHUBPAA-UHFFFAOYSA-N 1 3 399.491 3.932 20 5 GHBDHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414930150 838987137 /nfs/dbraw/zinc/98/71/37/838987137.db2.gz SNLJHFXUCNTAOQ-MSOLQXFVSA-N 1 3 385.464 3.542 20 5 GHBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298303 843984800 /nfs/dbraw/zinc/98/48/00/843984800.db2.gz YWXLJMXIXAYCDC-ACRUOGEOSA-N 1 3 387.524 3.675 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482157293 862751189 /nfs/dbraw/zinc/75/11/89/862751189.db2.gz OCJPPQFZTUNDGD-XLIONFOSSA-N 1 3 390.528 3.722 20 5 GHBDHO C[C@H](C[C@H](C)[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000575059038 858508560 /nfs/dbraw/zinc/50/85/60/858508560.db2.gz CPEDDFFAMLLOJX-JKSUJKDBSA-N 1 3 379.464 3.663 20 5 GHBDHO COc1ccc(C[C@H](C)NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327144 881364464 /nfs/dbraw/zinc/36/44/64/881364464.db2.gz FDONZMFPHFDTHC-ZWKOTPCHSA-N 1 3 387.524 3.945 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327144 881364493 /nfs/dbraw/zinc/36/44/93/881364493.db2.gz FDONZMFPHFDTHC-ZWKOTPCHSA-N 1 3 387.524 3.945 20 5 GHBDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600568 881575089 /nfs/dbraw/zinc/57/50/89/881575089.db2.gz VCBMJHVMLPZFIN-QFIPXVFZSA-N 1 3 398.507 3.526 20 5 GHBDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600568 881575103 /nfs/dbraw/zinc/57/51/03/881575103.db2.gz VCBMJHVMLPZFIN-QFIPXVFZSA-N 1 3 398.507 3.526 20 5 GHBDHO COc1cc(CNCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000105458846 875298477 /nfs/dbraw/zinc/29/84/77/875298477.db2.gz RAEGIOHOISJJRQ-UHFFFAOYSA-N 1 3 399.491 3.614 20 5 GHBDHO CC[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000132753086 903304196 /nfs/dbraw/zinc/30/41/96/903304196.db2.gz AIJQKVJGYJSQDC-QFIPXVFZSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294038 910219064 /nfs/dbraw/zinc/21/90/64/910219064.db2.gz OZYOKDRJIIUIFJ-LAUBAEHRSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294038 910219083 /nfs/dbraw/zinc/21/90/83/910219083.db2.gz OZYOKDRJIIUIFJ-LAUBAEHRSA-N 1 3 375.513 3.605 20 5 GHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271123869 910789230 /nfs/dbraw/zinc/78/92/30/910789230.db2.gz JZZXIZYHLZQJGQ-IRXDYDNUSA-N 1 3 393.553 3.556 20 5 GHBDHO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001191359717 917962450 /nfs/dbraw/zinc/96/24/50/917962450.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 1 3 395.503 3.962 20 5 GHBDHO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001191359717 917962462 /nfs/dbraw/zinc/96/24/62/917962462.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 1 3 395.503 3.962 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3cc([N+](=O)[O-])cc(Cl)n3)c3ccccc23)CC1 ZINC001159460662 1034606158 /nfs/dbraw/zinc/60/61/58/1034606158.db2.gz XCFNRDLIBVMXLF-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3ccccc3)CCNCC2)c1F ZINC001246427128 1037385461 /nfs/dbraw/zinc/38/54/61/1037385461.db2.gz BTAGKZFZCSQIRX-OAHLLOKOSA-N 1 3 387.455 3.542 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782151 852387396 /nfs/dbraw/zinc/38/73/96/852387396.db2.gz FWEZGMKGOLWBNB-KSZLIROESA-N 1 3 375.513 3.867 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782151 852387398 /nfs/dbraw/zinc/38/73/98/852387398.db2.gz FWEZGMKGOLWBNB-KSZLIROESA-N 1 3 375.513 3.867 20 5 GHBDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000179917067 878212964 /nfs/dbraw/zinc/21/29/64/878212964.db2.gz XREKIFNIJCYVSP-UHFFFAOYSA-N 1 3 394.479 3.536 20 5 GHBDHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000237721886 884826109 /nfs/dbraw/zinc/82/61/09/884826109.db2.gz MOPTWBNGONWYGS-UHFFFAOYSA-N 1 3 382.508 3.595 20 5 GHBDHO COc1cccc(C2([NH3+])CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172900083 905921485 /nfs/dbraw/zinc/92/14/85/905921485.db2.gz BVXFYQSWKFJORP-HXUWFJFHSA-N 1 3 395.503 3.801 20 5 GHBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000469760918 1016616241 /nfs/dbraw/zinc/61/62/41/1016616241.db2.gz ORQITFLWOYZRIW-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000469760918 1016616246 /nfs/dbraw/zinc/61/62/46/1016616246.db2.gz ORQITFLWOYZRIW-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001246663407 1037533823 /nfs/dbraw/zinc/53/38/23/1037533823.db2.gz JZZICYBYZHFYMC-RHSMWYFYSA-N 1 3 379.476 3.528 20 5 GHBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298305 843984998 /nfs/dbraw/zinc/98/49/98/843984998.db2.gz YWXLJMXIXAYCDC-PCCBWWKXSA-N 1 3 387.524 3.675 20 5 GHBDHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322755 849856740 /nfs/dbraw/zinc/85/67/40/849856740.db2.gz GTWZBXUGYQKMAF-TYCQWZJGSA-N 1 3 383.492 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000595064783 858368281 /nfs/dbraw/zinc/36/82/81/858368281.db2.gz BDDYNUHVJFBINH-QFIPXVFZSA-N 1 3 380.492 3.869 20 5 GHBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000595065072 858369397 /nfs/dbraw/zinc/36/93/97/858369397.db2.gz BWZZAOORQSDQHX-QFIPXVFZSA-N 1 3 394.519 3.813 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959390 896296933 /nfs/dbraw/zinc/29/69/33/896296933.db2.gz JFDWODLRWPGMSU-HTAPYJJXSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959390 896296945 /nfs/dbraw/zinc/29/69/45/896296945.db2.gz JFDWODLRWPGMSU-HTAPYJJXSA-N 1 3 383.492 3.792 20 5 GHBDHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011843 906089079 /nfs/dbraw/zinc/08/90/79/906089079.db2.gz LPVLZTUITSCZSM-UHFFFAOYSA-N 1 3 396.482 3.822 20 5 GHBDHO CC1([NH+]2CCC2)CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC001207720129 1034543248 /nfs/dbraw/zinc/54/32/48/1034543248.db2.gz VEHAWLXSVYCIOO-UHFFFAOYSA-N 1 3 388.331 3.915 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246681863 1037545484 /nfs/dbraw/zinc/54/54/84/1037545484.db2.gz ABARJUKECPNDEC-AAIMPIBUSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246681863 1037545499 /nfs/dbraw/zinc/54/54/99/1037545499.db2.gz ABARJUKECPNDEC-AAIMPIBUSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246681863 1037545517 /nfs/dbraw/zinc/54/55/17/1037545517.db2.gz ABARJUKECPNDEC-AAIMPIBUSA-N 1 3 379.504 3.779 20 5 GHBDHO CCC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001253103843 1039426527 /nfs/dbraw/zinc/42/65/27/1039426527.db2.gz MNVHCXHEMVCPOD-HSZRJFAPSA-N 1 3 396.535 3.973 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040376050 /nfs/dbraw/zinc/37/60/50/1040376050.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(CCN(Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040376071 /nfs/dbraw/zinc/37/60/71/1040376071.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000176985423 837831860 /nfs/dbraw/zinc/83/18/60/837831860.db2.gz CKTMDXLIKBTOMV-UHFFFAOYSA-N 1 3 389.521 3.817 20 5 GHBDHO CC1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236627416 838880989 /nfs/dbraw/zinc/88/09/89/838880989.db2.gz SLVOXXQLFKMDSN-MRXNPFEDSA-N 1 3 389.521 3.506 20 5 GHBDHO [NH3+][C@@H]1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414922443 838988238 /nfs/dbraw/zinc/98/82/38/838988238.db2.gz GSUTWQQPQFIPCW-RTBURBONSA-N 1 3 391.475 3.807 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433147492 845500963 /nfs/dbraw/zinc/50/09/63/845500963.db2.gz OUAKNUCWCHARBG-QINHECLXSA-N 1 3 375.513 3.796 20 5 GHBDHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322754 849856511 /nfs/dbraw/zinc/85/65/11/849856511.db2.gz GTWZBXUGYQKMAF-ORYQWCPZSA-N 1 3 383.492 3.660 20 5 GHBDHO COc1ccc(C[C@H](C)[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170344554 881446391 /nfs/dbraw/zinc/44/63/91/881446391.db2.gz BXVUMZFHYYKKOU-IOMROCGXSA-N 1 3 395.503 3.598 20 5 GHBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057482 871142391 /nfs/dbraw/zinc/14/23/91/871142391.db2.gz VXXXPQHEZXLBDV-QAPCUYQASA-N 1 3 385.430 3.705 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959393 896296558 /nfs/dbraw/zinc/29/65/58/896296558.db2.gz JFDWODLRWPGMSU-VGSWGCGISA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959393 896296574 /nfs/dbraw/zinc/29/65/74/896296574.db2.gz JFDWODLRWPGMSU-VGSWGCGISA-N 1 3 383.492 3.792 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000818987562 896306597 /nfs/dbraw/zinc/30/65/97/896306597.db2.gz ZMKKRSXPNIQLTJ-JOCHJYFZSA-N 1 3 383.492 3.794 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CNCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000818987132 896306989 /nfs/dbraw/zinc/30/69/89/896306989.db2.gz TUVFDIUJDZVDND-JOCHJYFZSA-N 1 3 383.492 3.794 20 5 GHBDHO Cc1c([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cccc1[N+](=O)[O-] ZINC000132698379 903297978 /nfs/dbraw/zinc/29/79/78/903297978.db2.gz XZOANNQKMFADLX-QGZVFWFLSA-N 1 3 383.492 3.711 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001172906632 905933319 /nfs/dbraw/zinc/93/33/19/905933319.db2.gz YVOITSPYTLFWHN-JOCHJYFZSA-N 1 3 394.519 3.739 20 5 GHBDHO COc1ccc(C2([NH3+])CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172906691 905933701 /nfs/dbraw/zinc/93/37/01/905933701.db2.gz OHXMKJLZHCHIRQ-HXUWFJFHSA-N 1 3 395.503 3.801 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001173191431 906273684 /nfs/dbraw/zinc/27/36/84/906273684.db2.gz LCSJBFFDORCXAQ-CYBMUJFWSA-N 1 3 381.492 3.915 20 5 GHBDHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC001116821320 933776601 /nfs/dbraw/zinc/77/66/01/933776601.db2.gz LEFGAABTVVAAGP-QHCPKHFHSA-N 1 3 394.519 3.509 20 5 GHBDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000469760920 1016616198 /nfs/dbraw/zinc/61/61/98/1016616198.db2.gz ORQITFLWOYZRIW-ROUUACIJSA-N 1 3 383.492 3.720 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3cccc(Cl)c3)CCNCC1)C2 ZINC001246431462 1037394479 /nfs/dbraw/zinc/39/44/79/1037394479.db2.gz ZHPFHBIYSLGYRA-IBGZPJMESA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246431462 1037394503 /nfs/dbraw/zinc/39/45/03/1037394503.db2.gz ZHPFHBIYSLGYRA-IBGZPJMESA-N 1 3 385.895 3.670 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CC3CCC3)CCNCC2)c1F ZINC001246446067 1037408409 /nfs/dbraw/zinc/40/84/09/1037408409.db2.gz KLQGGROUUXYTPO-CQSZACIVSA-N 1 3 379.476 3.576 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(CC3CCC3)CC[NH2+]CC2)c1F ZINC001246446067 1037408423 /nfs/dbraw/zinc/40/84/23/1037408423.db2.gz KLQGGROUUXYTPO-CQSZACIVSA-N 1 3 379.476 3.576 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCNCC1)CC2 ZINC001246449631 1037410418 /nfs/dbraw/zinc/41/04/18/1037410418.db2.gz ANLIKSVEPUDJHW-NRFANRHFSA-N 1 3 397.494 3.936 20 5 GHBDHO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302067417 861195005 /nfs/dbraw/zinc/19/50/05/861195005.db2.gz FOOPMGUDEDDEGJ-LJQANCHMSA-N 1 3 392.459 3.630 20 5 GHBDHO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302067417 861195014 /nfs/dbraw/zinc/19/50/14/861195014.db2.gz FOOPMGUDEDDEGJ-LJQANCHMSA-N 1 3 392.459 3.630 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594968473 858349558 /nfs/dbraw/zinc/34/95/58/858349558.db2.gz HELHSGNJDFWNTQ-QGOAFFKASA-N 1 3 380.492 3.895 20 5 GHBDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000481322296 861090981 /nfs/dbraw/zinc/09/09/81/861090981.db2.gz ZTCBBMFXARQVRP-FQEVSTJZSA-N 1 3 396.535 3.843 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959779 896295602 /nfs/dbraw/zinc/29/56/02/896295602.db2.gz SUDHSEYIDDNHIP-VGSWGCGISA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959779 896295622 /nfs/dbraw/zinc/29/56/22/896295622.db2.gz SUDHSEYIDDNHIP-VGSWGCGISA-N 1 3 383.492 3.792 20 5 GHBDHO CC1CC[NH+](Cc2cccc(CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000818996856 896314173 /nfs/dbraw/zinc/31/41/73/896314173.db2.gz XPKVFUANKBRHFN-QFIPXVFZSA-N 1 3 383.492 3.650 20 5 GHBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567367238 897096683 /nfs/dbraw/zinc/09/66/83/897096683.db2.gz YXGZDHSDZWXUAI-OAQYLSRUSA-N 1 3 381.476 3.847 20 5 GHBDHO [NH3+]C1(c2cccc(F)c2)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906605 905933634 /nfs/dbraw/zinc/93/36/34/905933634.db2.gz YPAQJLDVQDCWHI-HXUWFJFHSA-N 1 3 383.467 3.931 20 5 GHBDHO CCCc1ncc(CNCC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001205795458 1033577238 /nfs/dbraw/zinc/57/72/38/1033577238.db2.gz KYKFZHBZCDEORG-UHFFFAOYSA-N 1 3 386.496 3.580 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+](C[C@H]3CCCNC3)C3CCCC3)CC2)cc1 ZINC001246933964 1037736542 /nfs/dbraw/zinc/73/65/42/1037736542.db2.gz LKHQHYJPWNZMKU-SFHVURJKSA-N 1 3 386.540 3.808 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+](C[C@H]3CCCNC3)C3CCCC3)CC2)cc1 ZINC001246933964 1037736556 /nfs/dbraw/zinc/73/65/56/1037736556.db2.gz LKHQHYJPWNZMKU-SFHVURJKSA-N 1 3 386.540 3.808 20 5 GHBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298304 843984775 /nfs/dbraw/zinc/98/47/75/843984775.db2.gz YWXLJMXIXAYCDC-HBMCJLEFSA-N 1 3 387.524 3.675 20 5 GHBDHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250519 872103989 /nfs/dbraw/zinc/10/39/89/872103989.db2.gz MWPZELLFOPTYFS-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250519 872103998 /nfs/dbraw/zinc/10/39/98/872103998.db2.gz MWPZELLFOPTYFS-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959391 896296390 /nfs/dbraw/zinc/29/63/90/896296390.db2.gz JFDWODLRWPGMSU-JTSKRJEESA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959391 896296406 /nfs/dbraw/zinc/29/64/06/896296406.db2.gz JFDWODLRWPGMSU-JTSKRJEESA-N 1 3 383.492 3.792 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(CC3CCC3)CC2)c1F ZINC001173181152 906259735 /nfs/dbraw/zinc/25/97/35/906259735.db2.gz NZLBOJOBXCUHGW-CQSZACIVSA-N 1 3 379.476 3.528 20 5 GHBDHO Cc1ccc(C[N@@H+]2C[C@H]3CN([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223672 906306055 /nfs/dbraw/zinc/30/60/55/906306055.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 1 3 379.504 3.898 20 5 GHBDHO Cc1ccc(C[N@H+]2C[C@H]3CN([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223672 906306061 /nfs/dbraw/zinc/30/60/61/906306061.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 1 3 379.504 3.898 20 5 GHBDHO CC[NH+](CC)CCOC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470176199 930433540 /nfs/dbraw/zinc/43/35/40/930433540.db2.gz JBCJJTURAWYPHU-SDXDJHTJSA-N 1 3 375.513 3.821 20 5 GHBDHO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000781424790 930839947 /nfs/dbraw/zinc/83/99/47/930839947.db2.gz DFORYHOVZJSMGB-ROUUACIJSA-N 1 3 386.540 3.806 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423397 930840259 /nfs/dbraw/zinc/84/02/59/930840259.db2.gz PSQXXILWLZKXGY-JMJGKCIBSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423397 930840267 /nfs/dbraw/zinc/84/02/67/930840267.db2.gz PSQXXILWLZKXGY-JMJGKCIBSA-N 1 3 395.503 3.519 20 5 GHBDHO COc1ccc(C2(N[C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[NH2+]CC2)cc1 ZINC001246379394 1037336032 /nfs/dbraw/zinc/33/60/32/1037336032.db2.gz DEYCONHNGIVNBG-FQEVSTJZSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccc3F)CCNCC1)CC2 ZINC001246427667 1037387568 /nfs/dbraw/zinc/38/75/68/1037387568.db2.gz FKDWBJQOBYAZSQ-SFHVURJKSA-N 1 3 383.467 3.850 20 5 GHBDHO [NH3+][C@H]1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414922441 838987735 /nfs/dbraw/zinc/98/77/35/838987735.db2.gz GSUTWQQPQFIPCW-OALUTQOASA-N 1 3 391.475 3.807 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143242 852045334 /nfs/dbraw/zinc/04/53/34/852045334.db2.gz XVLXWPWNNDMAEM-FGTMMUONSA-N 1 3 375.513 3.785 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143242 852045345 /nfs/dbraw/zinc/04/53/45/852045345.db2.gz XVLXWPWNNDMAEM-FGTMMUONSA-N 1 3 375.513 3.785 20 5 GHBDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000538749588 870559288 /nfs/dbraw/zinc/55/92/88/870559288.db2.gz VRGKXIYQUKCEKJ-IBGZPJMESA-N 1 3 387.480 3.788 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565389355 895586000 /nfs/dbraw/zinc/58/60/00/895586000.db2.gz BKVLJPCLWFNLLH-ROUUACIJSA-N 1 3 375.513 3.615 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565389355 895586010 /nfs/dbraw/zinc/58/60/10/895586010.db2.gz BKVLJPCLWFNLLH-ROUUACIJSA-N 1 3 375.513 3.615 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001172906528 905933247 /nfs/dbraw/zinc/93/32/47/905933247.db2.gz XURLVRYJTGWQTN-QFIPXVFZSA-N 1 3 394.519 3.739 20 5 GHBDHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC001355372343 1057135659 /nfs/dbraw/zinc/13/56/59/1057135659.db2.gz BBLJRIAJQGPFQH-LZLYRXPVSA-N 1 3 386.521 3.880 20 5 GHBDHO O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411658900 836270375 /nfs/dbraw/zinc/27/03/75/836270375.db2.gz XTXYFPNRTUVWDM-UHFFFAOYSA-N 1 3 383.496 3.614 20 5 GHBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000415123107 839243685 /nfs/dbraw/zinc/24/36/85/839243685.db2.gz KYLVHSCPOALKSI-UTKZUKDTSA-N 1 3 385.464 3.573 20 5 GHBDHO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302067415 861192280 /nfs/dbraw/zinc/19/22/80/861192280.db2.gz FOOPMGUDEDDEGJ-IBGZPJMESA-N 1 3 392.459 3.630 20 5 GHBDHO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302067415 861192289 /nfs/dbraw/zinc/19/22/89/861192289.db2.gz FOOPMGUDEDDEGJ-IBGZPJMESA-N 1 3 392.459 3.630 20 5 GHBDHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151353823 852980184 /nfs/dbraw/zinc/98/01/84/852980184.db2.gz MUZQLWPTLKSKDJ-OAHLLOKOSA-N 1 3 389.521 3.821 20 5 GHBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452512 856681689 /nfs/dbraw/zinc/68/16/89/856681689.db2.gz PVKAOLXDCZFAAU-UWJYYQICSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452512 856681694 /nfs/dbraw/zinc/68/16/94/856681694.db2.gz PVKAOLXDCZFAAU-UWJYYQICSA-N 1 3 383.492 3.711 20 5 GHBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271123870 910789096 /nfs/dbraw/zinc/78/90/96/910789096.db2.gz JZZXIZYHLZQJGQ-SJORKVTESA-N 1 3 393.553 3.556 20 5 GHBDHO Cc1cc2cc3cc(C)c(Nc4cnc(N5CC[NH2+]CC5)nc4)cc3nc2cc1N ZINC001160222342 1034905914 /nfs/dbraw/zinc/90/59/14/1034905914.db2.gz FWZAAYGVTDATJJ-UHFFFAOYSA-N 1 3 399.502 3.530 20 5 GHBDHO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000414302169 836996762 /nfs/dbraw/zinc/99/67/62/836996762.db2.gz KEMBASFSYONIOX-GOSISDBHSA-N 1 3 383.492 3.581 20 5 GHBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415135449 839251047 /nfs/dbraw/zinc/25/10/47/839251047.db2.gz WRNDLNPBQOTDTP-GHTZIAJQSA-N 1 3 385.464 3.573 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426782152 852387273 /nfs/dbraw/zinc/38/72/73/852387273.db2.gz FWEZGMKGOLWBNB-KURKYZTESA-N 1 3 375.513 3.867 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482157291 862751724 /nfs/dbraw/zinc/75/17/24/862751724.db2.gz OCJPPQFZTUNDGD-FXAWDEMLSA-N 1 3 390.528 3.722 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482161610 862757704 /nfs/dbraw/zinc/75/77/04/862757704.db2.gz DXRAYPHMLUEXSO-IEBWSBKVSA-N 1 3 390.528 3.722 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814640092 893030229 /nfs/dbraw/zinc/03/02/29/893030229.db2.gz RHEXOFJPCDVQGU-QFIPXVFZSA-N 1 3 395.503 3.616 20 5 GHBDHO COc1cc(CN(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000843054800 1029789819 /nfs/dbraw/zinc/78/98/19/1029789819.db2.gz ILCDSKDSQHHCRH-UHFFFAOYSA-N 1 3 399.491 3.884 20 5 GHBDHO Cc1c(C)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001159461218 1034605605 /nfs/dbraw/zinc/60/56/05/1034605605.db2.gz POAKCLPZCCPNFQ-UHFFFAOYSA-N 1 3 393.491 3.516 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3cc(Cl)cc([N+](=O)[O-])n3)c3ccccc23)CC1 ZINC001159460249 1034605667 /nfs/dbraw/zinc/60/56/67/1034605667.db2.gz GRCVUOVYFUYCPJ-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO COc1ccccc1C1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCNCC1 ZINC001246376021 1037333253 /nfs/dbraw/zinc/33/32/53/1037333253.db2.gz JZKIBPTXMGSTKC-LJQANCHMSA-N 1 3 395.503 3.719 20 5 GHBDHO COc1cccc(C2(N[C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[NH2+]CC2)c1 ZINC001246415989 1037371085 /nfs/dbraw/zinc/37/10/85/1037371085.db2.gz OFVHHGJVKKGUNZ-HXUWFJFHSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)C2 ZINC001254585792 1040359114 /nfs/dbraw/zinc/35/91/14/1040359114.db2.gz OIDDCDNZNWVQFU-FQEVSTJZSA-N 1 3 383.467 3.703 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328571 840714673 /nfs/dbraw/zinc/71/46/73/840714673.db2.gz GTCUMZPPJISELG-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328571 840714683 /nfs/dbraw/zinc/71/46/83/840714683.db2.gz GTCUMZPPJISELG-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433147488 845500633 /nfs/dbraw/zinc/50/06/33/845500633.db2.gz OUAKNUCWCHARBG-GQIGUUNPSA-N 1 3 375.513 3.796 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433147494 845501308 /nfs/dbraw/zinc/50/13/08/845501308.db2.gz OUAKNUCWCHARBG-YRNRMSPPSA-N 1 3 375.513 3.796 20 5 GHBDHO CCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246455415 850762189 /nfs/dbraw/zinc/76/21/89/850762189.db2.gz PMRCRNRCKCJVBE-PWRODBHTSA-N 1 3 375.513 3.794 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000819058482 896346515 /nfs/dbraw/zinc/34/65/15/896346515.db2.gz CRMNZXIHMCVHFZ-QFIPXVFZSA-N 1 3 383.492 3.794 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317702 /nfs/dbraw/zinc/31/77/02/906317702.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 1 3 379.504 3.980 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317716 /nfs/dbraw/zinc/31/77/16/906317716.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 1 3 379.504 3.980 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3ccccc3)CCNCC2)c1F ZINC001246427127 1037384108 /nfs/dbraw/zinc/38/41/08/1037384108.db2.gz BTAGKZFZCSQIRX-HNNXBMFYSA-N 1 3 387.455 3.542 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246681867 1037545184 /nfs/dbraw/zinc/54/51/84/1037545184.db2.gz ABARJUKECPNDEC-RZFNWQHOSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246681867 1037545204 /nfs/dbraw/zinc/54/52/04/1037545204.db2.gz ABARJUKECPNDEC-RZFNWQHOSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246681867 1037545219 /nfs/dbraw/zinc/54/52/19/1037545219.db2.gz ABARJUKECPNDEC-RZFNWQHOSA-N 1 3 379.504 3.779 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001254609818 1040381636 /nfs/dbraw/zinc/38/16/36/1040381636.db2.gz YUHWPPGWMGPRCT-JOCHJYFZSA-N 1 3 377.488 3.660 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000548930873 836211522 /nfs/dbraw/zinc/21/15/22/836211522.db2.gz KOTOYWJKGBZKBU-NRFANRHFSA-N 1 3 383.492 3.864 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000548930873 836211533 /nfs/dbraw/zinc/21/15/33/836211533.db2.gz KOTOYWJKGBZKBU-NRFANRHFSA-N 1 3 383.492 3.864 20 5 GHBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415135456 839251411 /nfs/dbraw/zinc/25/14/11/839251411.db2.gz WRNDLNPBQOTDTP-RXVVDRJESA-N 1 3 385.464 3.573 20 5 GHBDHO Cc1c(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000426827508 852442048 /nfs/dbraw/zinc/44/20/48/852442048.db2.gz SHLOVMHTSKGNOC-CALCHBBNSA-N 1 3 375.513 3.615 20 5 GHBDHO Cc1c(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000426827508 852442056 /nfs/dbraw/zinc/44/20/56/852442056.db2.gz SHLOVMHTSKGNOC-CALCHBBNSA-N 1 3 375.513 3.615 20 5 GHBDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960111 896267230 /nfs/dbraw/zinc/26/72/30/896267230.db2.gz XNFBMIZDEUTVIJ-VGSWGCGISA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960111 896267242 /nfs/dbraw/zinc/26/72/42/896267242.db2.gz XNFBMIZDEUTVIJ-VGSWGCGISA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959778 896296821 /nfs/dbraw/zinc/29/68/21/896296821.db2.gz SUDHSEYIDDNHIP-VGOFRKELSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959778 896296834 /nfs/dbraw/zinc/29/68/34/896296834.db2.gz SUDHSEYIDDNHIP-VGOFRKELSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959279 896299022 /nfs/dbraw/zinc/29/90/22/896299022.db2.gz HIPZAFXJMRSWGT-VGOFRKELSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959279 896299035 /nfs/dbraw/zinc/29/90/35/896299035.db2.gz HIPZAFXJMRSWGT-VGOFRKELSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001173225373 906308151 /nfs/dbraw/zinc/30/81/51/906308151.db2.gz JODACEJFHHFPFY-LJQANCHMSA-N 1 3 394.519 3.909 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423400 930840075 /nfs/dbraw/zinc/84/00/75/930840075.db2.gz PSQXXILWLZKXGY-MLDBQTBOSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423400 930840081 /nfs/dbraw/zinc/84/00/81/930840081.db2.gz PSQXXILWLZKXGY-MLDBQTBOSA-N 1 3 395.503 3.519 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000468626961 1015856112 /nfs/dbraw/zinc/85/61/12/1015856112.db2.gz JZXFWMOHVSXJFJ-RGEXLXHISA-N 1 3 394.519 3.535 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246681866 1037546010 /nfs/dbraw/zinc/54/60/10/1037546010.db2.gz ABARJUKECPNDEC-JZWVFAODSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246681866 1037546017 /nfs/dbraw/zinc/54/60/17/1037546017.db2.gz ABARJUKECPNDEC-JZWVFAODSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246681866 1037546023 /nfs/dbraw/zinc/54/60/23/1037546023.db2.gz ABARJUKECPNDEC-JZWVFAODSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906859 1050155027 /nfs/dbraw/zinc/15/50/27/1050155027.db2.gz WBYDCHGRDSYOGV-OXQOHEQNSA-N 1 3 388.512 3.699 20 5 GHBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906859 1050155032 /nfs/dbraw/zinc/15/50/32/1050155032.db2.gz WBYDCHGRDSYOGV-OXQOHEQNSA-N 1 3 388.512 3.699 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414306621 837006982 /nfs/dbraw/zinc/00/69/82/837006982.db2.gz OMLVGZIQVUTQAF-QFIPXVFZSA-N 1 3 395.503 3.589 20 5 GHBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000415123105 839244516 /nfs/dbraw/zinc/24/45/16/839244516.db2.gz KYLVHSCPOALKSI-DYESRHJHSA-N 1 3 385.464 3.573 20 5 GHBDHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000575059035 858508595 /nfs/dbraw/zinc/50/85/95/858508595.db2.gz CPEDDFFAMLLOJX-CVEARBPZSA-N 1 3 379.464 3.663 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000249001384 889072252 /nfs/dbraw/zinc/07/22/52/889072252.db2.gz QSGHIUQZSJKTJB-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000249001384 889072270 /nfs/dbraw/zinc/07/22/70/889072270.db2.gz QSGHIUQZSJKTJB-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959277 896298281 /nfs/dbraw/zinc/29/82/81/896298281.db2.gz HIPZAFXJMRSWGT-HTAPYJJXSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959277 896298292 /nfs/dbraw/zinc/29/82/92/896298292.db2.gz HIPZAFXJMRSWGT-HTAPYJJXSA-N 1 3 383.492 3.650 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000818987136 896306647 /nfs/dbraw/zinc/30/66/47/896306647.db2.gz TUVFDIUJDZVDND-QFIPXVFZSA-N 1 3 383.492 3.794 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819323714 896568370 /nfs/dbraw/zinc/56/83/70/896568370.db2.gz PJJKXZMTKFNWPO-KNQAVFIVSA-N 1 3 383.492 3.520 20 5 GHBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160739813 1035050311 /nfs/dbraw/zinc/05/03/11/1035050311.db2.gz WVPYSFLUWOSWSU-HSZRJFAPSA-N 1 3 387.527 3.826 20 5 GHBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160739813 1035050319 /nfs/dbraw/zinc/05/03/19/1035050319.db2.gz WVPYSFLUWOSWSU-HSZRJFAPSA-N 1 3 387.527 3.826 20 5 GHBDHO C[C@H]1C[N@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351146 842138787 /nfs/dbraw/zinc/13/87/87/842138787.db2.gz JKGZWULRGCWBFS-INIZCTEOSA-N 1 3 389.521 3.914 20 5 GHBDHO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351146 842138795 /nfs/dbraw/zinc/13/87/95/842138795.db2.gz JKGZWULRGCWBFS-INIZCTEOSA-N 1 3 389.521 3.914 20 5 GHBDHO CC1(C)C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298306 843984906 /nfs/dbraw/zinc/98/49/06/843984906.db2.gz YWXLJMXIXAYCDC-PWRODBHTSA-N 1 3 387.524 3.675 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074800 858411509 /nfs/dbraw/zinc/41/15/09/858411509.db2.gz WUFQBDWGZNJJMY-DENIHFKCSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074800 858411514 /nfs/dbraw/zinc/41/15/14/858411514.db2.gz WUFQBDWGZNJJMY-DENIHFKCSA-N 1 3 395.503 3.674 20 5 GHBDHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000539395821 871849564 /nfs/dbraw/zinc/84/95/64/871849564.db2.gz FEKVUJXYPWCWPN-FQEVSTJZSA-N 1 3 381.476 3.715 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001172906527 905933503 /nfs/dbraw/zinc/93/35/03/905933503.db2.gz XURLVRYJTGWQTN-JOCHJYFZSA-N 1 3 394.519 3.739 20 5 GHBDHO NCCC[N@H+](C1CCCCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011595 906088484 /nfs/dbraw/zinc/08/84/84/906088484.db2.gz GXUHNGDOUBLSPU-UHFFFAOYSA-N 1 3 396.482 3.825 20 5 GHBDHO NCCC[N@@H+](C1CCCCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011595 906088492 /nfs/dbraw/zinc/08/84/92/906088492.db2.gz GXUHNGDOUBLSPU-UHFFFAOYSA-N 1 3 396.482 3.825 20 5 GHBDHO CC[N@H+](CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736247 908970494 /nfs/dbraw/zinc/97/04/94/908970494.db2.gz VISWIOJNFQSFCT-OAQYLSRUSA-N 1 3 377.529 3.708 20 5 GHBDHO CC[N@@H+](CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736247 908970500 /nfs/dbraw/zinc/97/05/00/908970500.db2.gz VISWIOJNFQSFCT-OAQYLSRUSA-N 1 3 377.529 3.708 20 5 GHBDHO O=C1CN(Cc2c3ccccc3c3cc4ccccc4oc2-3)CC2(CC[NH2+]CC2)N1 ZINC001222515731 1030176770 /nfs/dbraw/zinc/17/67/70/1030176770.db2.gz ZIRFGFVRMKVRLZ-UHFFFAOYSA-N 1 3 399.494 3.745 20 5 GHBDHO N[C@@H]1CC[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001205953184 1033653639 /nfs/dbraw/zinc/65/36/39/1033653639.db2.gz MVFQCEOKOUCXBL-XMSQKQJNSA-N 1 3 384.483 3.850 20 5 GHBDHO N[C@@H]1CC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001205953184 1033653645 /nfs/dbraw/zinc/65/36/45/1033653645.db2.gz MVFQCEOKOUCXBL-XMSQKQJNSA-N 1 3 384.483 3.850 20 5 GHBDHO [NH3+][C@@H]1CCN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001205953184 1033653651 /nfs/dbraw/zinc/65/36/51/1033653651.db2.gz MVFQCEOKOUCXBL-XMSQKQJNSA-N 1 3 384.483 3.850 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001254581805 1040356702 /nfs/dbraw/zinc/35/67/02/1040356702.db2.gz MYUJIMMQZUMVMY-VOFXCDAESA-N 1 3 377.488 3.562 20 5 GHBDHO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549166322 839133420 /nfs/dbraw/zinc/13/34/20/839133420.db2.gz PGGQNYWHXXFPOY-NRFANRHFSA-N 1 3 383.492 3.994 20 5 GHBDHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414928062 852336783 /nfs/dbraw/zinc/33/67/83/852336783.db2.gz PUXXYRBMRHCOEK-QZTJIDSGSA-N 1 3 385.464 3.542 20 5 GHBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057481 871142669 /nfs/dbraw/zinc/14/26/69/871142669.db2.gz VXXXPQHEZXLBDV-MAUKXSAKSA-N 1 3 385.430 3.705 20 5 GHBDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000536693158 893549144 /nfs/dbraw/zinc/54/91/44/893549144.db2.gz IZTXCEPRVDHOIQ-IBGZPJMESA-N 1 3 387.480 3.788 20 5 GHBDHO C[NH+]1CCC(N2CCC(Nc3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001162333196 1025717303 /nfs/dbraw/zinc/71/73/03/1025717303.db2.gz DBXNUBACLBNYIO-UHFFFAOYSA-N 1 3 386.418 3.584 20 5 GHBDHO CN(C)CCN1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141728296 1026361637 /nfs/dbraw/zinc/36/16/37/1026361637.db2.gz PJAXYQYCQJSHQE-UHFFFAOYSA-N 1 3 375.516 3.589 20 5 GHBDHO CN(C)CCN1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141728296 1026361648 /nfs/dbraw/zinc/36/16/48/1026361648.db2.gz PJAXYQYCQJSHQE-UHFFFAOYSA-N 1 3 375.516 3.589 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2(c3cccc(F)c3)CCNCC2)c([N+](=O)[O-])c1 ZINC001246435155 1037398366 /nfs/dbraw/zinc/39/83/66/1037398366.db2.gz FLRDIPJFMIKDIJ-HNNXBMFYSA-N 1 3 387.455 3.542 20 5 GHBDHO [NH3+]C1(Cc2ccccc2)CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469894 1040255691 /nfs/dbraw/zinc/25/56/91/1040255691.db2.gz BEWUTYWRXNDWPO-UHFFFAOYSA-N 1 3 394.519 3.600 20 5 GHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830308 852417626 /nfs/dbraw/zinc/41/76/26/852417626.db2.gz XFEQRRQIDFIGTJ-KZNAEPCWSA-N 1 3 375.513 3.867 20 5 GHBDHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441718 856460124 /nfs/dbraw/zinc/46/01/24/856460124.db2.gz KJDPDVZSPSZENT-PXNSSMCTSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441718 856460129 /nfs/dbraw/zinc/46/01/29/856460129.db2.gz KJDPDVZSPSZENT-PXNSSMCTSA-N 1 3 383.492 3.711 20 5 GHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906859 858714056 /nfs/dbraw/zinc/71/40/56/858714056.db2.gz AUGDCFMMCZGNSB-HNNXBMFYSA-N 1 3 383.496 3.726 20 5 GHBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906859 858714068 /nfs/dbraw/zinc/71/40/68/858714068.db2.gz AUGDCFMMCZGNSB-HNNXBMFYSA-N 1 3 383.496 3.726 20 5 GHBDHO COc1ccc(C[C@H](C)NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327143 881364362 /nfs/dbraw/zinc/36/43/62/881364362.db2.gz FDONZMFPHFDTHC-ROUUACIJSA-N 1 3 387.524 3.945 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327143 881364383 /nfs/dbraw/zinc/36/43/83/881364383.db2.gz FDONZMFPHFDTHC-ROUUACIJSA-N 1 3 387.524 3.945 20 5 GHBDHO [NH3+]CCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000479768684 868492481 /nfs/dbraw/zinc/49/24/81/868492481.db2.gz DBLFSGQOYDONFK-UHFFFAOYSA-N 1 3 380.448 3.643 20 5 GHBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057480 871142870 /nfs/dbraw/zinc/14/28/70/871142870.db2.gz VXXXPQHEZXLBDV-CRAIPNDOSA-N 1 3 385.430 3.705 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001246978254 1037803009 /nfs/dbraw/zinc/80/30/09/1037803009.db2.gz HDKCEAVVQVMPII-OAHLLOKOSA-N 1 3 393.503 3.775 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482140549 842032178 /nfs/dbraw/zinc/03/21/78/842032178.db2.gz WPZYJNWCZJNVNC-MJGOQNOKSA-N 1 3 390.528 3.722 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482161612 862758125 /nfs/dbraw/zinc/75/81/25/862758125.db2.gz DXRAYPHMLUEXSO-PKOBYXMFSA-N 1 3 390.528 3.722 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245905998 857195628 /nfs/dbraw/zinc/19/56/28/857195628.db2.gz FHGDMUHASVDLIT-FCHUYYIVSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245905998 857195636 /nfs/dbraw/zinc/19/56/36/857195636.db2.gz FHGDMUHASVDLIT-FCHUYYIVSA-N 1 3 383.492 3.511 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074802 858411192 /nfs/dbraw/zinc/41/11/92/858411192.db2.gz WUFQBDWGZNJJMY-SIKLNZKXSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000595074802 858411196 /nfs/dbraw/zinc/41/11/96/858411196.db2.gz WUFQBDWGZNJJMY-SIKLNZKXSA-N 1 3 395.503 3.674 20 5 GHBDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250534 872104348 /nfs/dbraw/zinc/10/43/48/872104348.db2.gz MWPZELLFOPTYFS-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250534 872104354 /nfs/dbraw/zinc/10/43/54/872104354.db2.gz MWPZELLFOPTYFS-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO Cc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001170528139 885541071 /nfs/dbraw/zinc/54/10/71/885541071.db2.gz INQVMNHLFNJGQO-UHFFFAOYSA-N 1 3 378.476 3.813 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](NC1(c3ccc(F)cc3)CC[NH2+]CC1)CC2 ZINC001246337010 1037301495 /nfs/dbraw/zinc/30/14/95/1037301495.db2.gz PUEBOCOYSDEUQF-HXUWFJFHSA-N 1 3 383.467 3.850 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(Cc3ccccc3F)CCNCC1)CC2 ZINC001246380983 1037338710 /nfs/dbraw/zinc/33/87/10/1037338710.db2.gz MAAYEHYLASXQBC-FQEVSTJZSA-N 1 3 397.494 3.936 20 5 GHBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906854 1050155059 /nfs/dbraw/zinc/15/50/59/1050155059.db2.gz WBYDCHGRDSYOGV-JXFKEZNVSA-N 1 3 388.512 3.699 20 5 GHBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906854 1050155063 /nfs/dbraw/zinc/15/50/63/1050155063.db2.gz WBYDCHGRDSYOGV-JXFKEZNVSA-N 1 3 388.512 3.699 20 5 GHBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372538 838760495 /nfs/dbraw/zinc/76/04/95/838760495.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 1 3 383.492 3.818 20 5 GHBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372538 838760500 /nfs/dbraw/zinc/76/05/00/838760500.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 1 3 383.492 3.818 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCCC2 ZINC000417311659 840708021 /nfs/dbraw/zinc/70/80/21/840708021.db2.gz POVZFTSURBCCIX-VSKRKVRLSA-N 1 3 387.524 3.720 20 5 GHBDHO O=[N+]([O-])c1ccccc1OCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674955 843421622 /nfs/dbraw/zinc/42/16/22/843421622.db2.gz GSPJDHXLDAKWFH-LJQANCHMSA-N 1 3 387.505 3.679 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240211 843890067 /nfs/dbraw/zinc/89/00/67/843890067.db2.gz NMDQVTAZIBGSFY-SIKLNZKXSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240211 843890076 /nfs/dbraw/zinc/89/00/76/843890076.db2.gz NMDQVTAZIBGSFY-SIKLNZKXSA-N 1 3 395.503 3.674 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066102 858369350 /nfs/dbraw/zinc/36/93/50/858369350.db2.gz BYGIPOOQYQWPQF-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066102 858369353 /nfs/dbraw/zinc/36/93/53/858369353.db2.gz BYGIPOOQYQWPQF-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351673 881498174 /nfs/dbraw/zinc/49/81/74/881498174.db2.gz HETDSXLYDGQXPF-NEWSRXKRSA-N 1 3 375.513 3.873 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351673 881498186 /nfs/dbraw/zinc/49/81/86/881498186.db2.gz HETDSXLYDGQXPF-NEWSRXKRSA-N 1 3 375.513 3.873 20 5 GHBDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCOc1ccccc1[N+](=O)[O-] ZINC000460355514 872929855 /nfs/dbraw/zinc/92/98/55/872929855.db2.gz XNMRYWZFMPAQFG-ROUUACIJSA-N 1 3 383.492 3.720 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585901 878235211 /nfs/dbraw/zinc/23/52/11/878235211.db2.gz CSGYDZBEAAKOEL-UTKZUKDTSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585901 878235225 /nfs/dbraw/zinc/23/52/25/878235225.db2.gz CSGYDZBEAAKOEL-UTKZUKDTSA-N 1 3 375.513 3.605 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3cnc(Cl)cc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170524578 885470259 /nfs/dbraw/zinc/47/02/59/885470259.db2.gz DASVZHZGMWDXMK-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000819058481 896346391 /nfs/dbraw/zinc/34/63/91/896346391.db2.gz CRMNZXIHMCVHFZ-JOCHJYFZSA-N 1 3 383.492 3.794 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000819323607 896568109 /nfs/dbraw/zinc/56/81/09/896568109.db2.gz NMSCPUDHDKTVLB-DENIHFKCSA-N 1 3 383.492 3.520 20 5 GHBDHO CN(C)CCN(C(=O)c1c2ccccc2cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001161452996 1035233752 /nfs/dbraw/zinc/23/37/52/1035233752.db2.gz VVMSVZSEJAUJLM-FQEVSTJZSA-N 1 3 375.516 3.749 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936757 1037742157 /nfs/dbraw/zinc/74/21/57/1037742157.db2.gz JNIKNDPZRPLXAV-IAGOWNOFSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936757 1037742180 /nfs/dbraw/zinc/74/21/80/1037742180.db2.gz JNIKNDPZRPLXAV-IAGOWNOFSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936769 1037744068 /nfs/dbraw/zinc/74/40/68/1037744068.db2.gz JOUQOLLBFMWSAW-HZPDHXFCSA-N 1 3 393.503 3.918 20 5 GHBDHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469984 1040257265 /nfs/dbraw/zinc/25/72/65/1040257265.db2.gz LANOQTLCCNOOQV-GOSISDBHSA-N 1 3 382.508 3.661 20 5 GHBDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469984 1040257281 /nfs/dbraw/zinc/25/72/81/1040257281.db2.gz LANOQTLCCNOOQV-GOSISDBHSA-N 1 3 382.508 3.661 20 5 GHBDHO C[C@H](C[NH3+])CN(Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469984 1040257291 /nfs/dbraw/zinc/25/72/91/1040257291.db2.gz LANOQTLCCNOOQV-GOSISDBHSA-N 1 3 382.508 3.661 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC001254581804 1040356316 /nfs/dbraw/zinc/35/63/16/1040356316.db2.gz MYUJIMMQZUMVMY-KPUOSGPGSA-N 1 3 377.488 3.562 20 5 GHBDHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000415129985 839256627 /nfs/dbraw/zinc/25/66/27/839256627.db2.gz WAKBNIKZWWDAMF-KKSFZXQISA-N 1 3 385.464 3.573 20 5 GHBDHO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056239 846587575 /nfs/dbraw/zinc/58/75/75/846587575.db2.gz YCHYWLQWDJXHHX-UHFFFAOYSA-N 1 3 384.480 3.737 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594968472 858349412 /nfs/dbraw/zinc/34/94/12/858349412.db2.gz HELHSGNJDFWNTQ-AQTBWJFISA-N 1 3 380.492 3.895 20 5 GHBDHO Cc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000237766400 884850256 /nfs/dbraw/zinc/85/02/56/884850256.db2.gz HMNGIAJMVZAPBS-UHFFFAOYSA-N 1 3 396.535 3.591 20 5 GHBDHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000153323162 887653220 /nfs/dbraw/zinc/65/32/20/887653220.db2.gz RYYWDYXAZGXSRK-ZACQAIPSSA-N 1 3 379.501 3.534 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423394 930840554 /nfs/dbraw/zinc/84/05/54/930840554.db2.gz PSQXXILWLZKXGY-CWKRKGSWSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423394 930840564 /nfs/dbraw/zinc/84/05/64/930840564.db2.gz PSQXXILWLZKXGY-CWKRKGSWSA-N 1 3 395.503 3.519 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000540988370 837509263 /nfs/dbraw/zinc/50/92/63/837509263.db2.gz KILNUELEASIVDD-UWJYYQICSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000540988370 837509267 /nfs/dbraw/zinc/50/92/67/837509267.db2.gz KILNUELEASIVDD-UWJYYQICSA-N 1 3 383.492 3.711 20 5 GHBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000415129984 839257020 /nfs/dbraw/zinc/25/70/20/839257020.db2.gz WAKBNIKZWWDAMF-IIBYNOLFSA-N 1 3 385.464 3.573 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482140548 842031743 /nfs/dbraw/zinc/03/17/43/842031743.db2.gz WPZYJNWCZJNVNC-IEBWSBKVSA-N 1 3 390.528 3.722 20 5 GHBDHO COc1cccc([C@@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)c1 ZINC000891502413 842211233 /nfs/dbraw/zinc/21/12/33/842211233.db2.gz WMIGYOLMLBPEPZ-OAQYLSRUSA-N 1 3 380.448 3.597 20 5 GHBDHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424372260 850411778 /nfs/dbraw/zinc/41/17/78/850411778.db2.gz WGFYXTHATNHXSV-RTBURBONSA-N 1 3 385.464 3.542 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351674 881496525 /nfs/dbraw/zinc/49/65/25/881496525.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 1 3 375.513 3.873 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351674 881496632 /nfs/dbraw/zinc/49/66/32/881496632.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 1 3 375.513 3.873 20 5 GHBDHO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC12CCOCC2 ZINC000563135594 893397336 /nfs/dbraw/zinc/39/73/36/893397336.db2.gz RJWJJZVCJMVWRA-INIZCTEOSA-N 1 3 387.505 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819323716 896567914 /nfs/dbraw/zinc/56/79/14/896567914.db2.gz PJJKXZMTKFNWPO-UGKGYDQZSA-N 1 3 383.492 3.520 20 5 GHBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567367237 897096195 /nfs/dbraw/zinc/09/61/95/897096195.db2.gz YXGZDHSDZWXUAI-NRFANRHFSA-N 1 3 381.476 3.847 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000470185968 930440075 /nfs/dbraw/zinc/44/00/75/930440075.db2.gz NLXDRUGNGGJODM-XLTVWXTISA-N 1 3 387.524 3.819 20 5 GHBDHO CC[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246485483 1037432103 /nfs/dbraw/zinc/43/21/03/1037432103.db2.gz UUZGAYUHSKYKRD-QZTJIDSGSA-N 1 3 390.531 3.628 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516263 837337415 /nfs/dbraw/zinc/33/74/15/837337415.db2.gz FHGDMUHASVDLIT-YADHBBJMSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516263 837337423 /nfs/dbraw/zinc/33/74/23/837337423.db2.gz FHGDMUHASVDLIT-YADHBBJMSA-N 1 3 383.492 3.511 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415133188 839261333 /nfs/dbraw/zinc/26/13/33/839261333.db2.gz UYGSRQATBCJPAS-CTNGQTDRSA-N 1 3 385.464 3.573 20 5 GHBDHO CCC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068526 858370855 /nfs/dbraw/zinc/37/08/55/858370855.db2.gz IKQGWYFAAARDJG-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068526 858370860 /nfs/dbraw/zinc/37/08/60/858370860.db2.gz IKQGWYFAAARDJG-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539861775 869911188 /nfs/dbraw/zinc/91/11/88/869911188.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 1 3 383.492 3.947 20 5 GHBDHO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539861775 869911190 /nfs/dbraw/zinc/91/11/90/869911190.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 1 3 383.492 3.947 20 5 GHBDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467835851 929485850 /nfs/dbraw/zinc/48/58/50/929485850.db2.gz AELHYDHKXUZALP-HXUWFJFHSA-N 1 3 396.535 3.843 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(Cc3ccccc3F)CCNCC1)CC2 ZINC001246380984 1037338451 /nfs/dbraw/zinc/33/84/51/1037338451.db2.gz MAAYEHYLASXQBC-HXUWFJFHSA-N 1 3 397.494 3.936 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)CC2)cc1 ZINC001254476637 1040264452 /nfs/dbraw/zinc/26/44/52/1040264452.db2.gz VADAZQZYKSSIMB-LJQANCHMSA-N 1 3 398.551 3.974 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376597 /nfs/dbraw/zinc/37/65/97/1040376597.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 1 3 393.531 3.957 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376609 /nfs/dbraw/zinc/37/66/09/1040376609.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 1 3 393.531 3.957 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001254609819 1040382039 /nfs/dbraw/zinc/38/20/39/1040382039.db2.gz YUHWPPGWMGPRCT-QFIPXVFZSA-N 1 3 377.488 3.660 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCCC2 ZINC000417311660 840708330 /nfs/dbraw/zinc/70/83/30/840708330.db2.gz POVZFTSURBCCIX-YPAWHYETSA-N 1 3 387.524 3.720 20 5 GHBDHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000540495184 846770870 /nfs/dbraw/zinc/77/08/70/846770870.db2.gz JPWCNMATLXSSBK-HXUWFJFHSA-N 1 3 397.475 3.551 20 5 GHBDHO CN1CCC2(CC1)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000540495184 846770879 /nfs/dbraw/zinc/77/08/79/846770879.db2.gz JPWCNMATLXSSBK-HXUWFJFHSA-N 1 3 397.475 3.551 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426782153 852387507 /nfs/dbraw/zinc/38/75/07/852387507.db2.gz FWEZGMKGOLWBNB-KZNAEPCWSA-N 1 3 375.513 3.867 20 5 GHBDHO Cc1c(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000426827510 852442304 /nfs/dbraw/zinc/44/23/04/852442304.db2.gz SHLOVMHTSKGNOC-IRXDYDNUSA-N 1 3 375.513 3.615 20 5 GHBDHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432677 856173860 /nfs/dbraw/zinc/17/38/60/856173860.db2.gz CPDKOLPGKHKOKJ-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432677 856173886 /nfs/dbraw/zinc/17/38/86/856173886.db2.gz CPDKOLPGKHKOKJ-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068524 858370596 /nfs/dbraw/zinc/37/05/96/858370596.db2.gz IKQGWYFAAARDJG-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068524 858370607 /nfs/dbraw/zinc/37/06/07/858370607.db2.gz IKQGWYFAAARDJG-FGZHOGPDSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000481322298 861091311 /nfs/dbraw/zinc/09/13/11/861091311.db2.gz ZTCBBMFXARQVRP-HXUWFJFHSA-N 1 3 396.535 3.843 20 5 GHBDHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000539395822 871849928 /nfs/dbraw/zinc/84/99/28/871849928.db2.gz FEKVUJXYPWCWPN-HXUWFJFHSA-N 1 3 381.476 3.715 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000540988368 872683015 /nfs/dbraw/zinc/68/30/15/872683015.db2.gz KILNUELEASIVDD-UTKZUKDTSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000540988368 872683018 /nfs/dbraw/zinc/68/30/18/872683018.db2.gz KILNUELEASIVDD-UTKZUKDTSA-N 1 3 383.492 3.711 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000819059207 896346360 /nfs/dbraw/zinc/34/63/60/896346360.db2.gz JBHCKAOFNHCIBD-JOCHJYFZSA-N 1 3 383.492 3.794 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000819323614 896568235 /nfs/dbraw/zinc/56/82/35/896568235.db2.gz NMSCPUDHDKTVLB-UGKGYDQZSA-N 1 3 383.492 3.520 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(Cc2ccccc2)C[C@H](C)C[NH3+])c1F ZINC001173181504 906261139 /nfs/dbraw/zinc/26/11/39/906261139.db2.gz FDCIDBGQDLDMTM-CVEARBPZSA-N 1 3 389.471 3.771 20 5 GHBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228669 907164078 /nfs/dbraw/zinc/16/40/78/907164078.db2.gz PVKAOLXDCZFAAU-DYESRHJHSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228669 907164082 /nfs/dbraw/zinc/16/40/82/907164082.db2.gz PVKAOLXDCZFAAU-DYESRHJHSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1cc(C)c([N+](=O)[O-])c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159461707 1034608036 /nfs/dbraw/zinc/60/80/36/1034608036.db2.gz ZBMHXBPWBGIXDC-UHFFFAOYSA-N 1 3 393.491 3.516 20 5 GHBDHO CC(C)[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCCNCC1 ZINC001246592605 1037491674 /nfs/dbraw/zinc/49/16/74/1037491674.db2.gz KQNYRIPCWHUYDK-OAHLLOKOSA-N 1 3 396.482 3.694 20 5 GHBDHO CC(C)[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCCNCC1 ZINC001246592605 1037491683 /nfs/dbraw/zinc/49/16/83/1037491683.db2.gz KQNYRIPCWHUYDK-OAHLLOKOSA-N 1 3 396.482 3.694 20 5 GHBDHO CC(C)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000414554395 838622821 /nfs/dbraw/zinc/62/28/21/838622821.db2.gz VELMPZURLOCQPI-UHFFFAOYSA-N 1 3 397.519 3.835 20 5 GHBDHO CC[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000105449166 841267275 /nfs/dbraw/zinc/26/72/75/841267275.db2.gz XTGFVDGBDKVXOG-UHFFFAOYSA-N 1 3 393.491 3.737 20 5 GHBDHO CC[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000105449166 841267285 /nfs/dbraw/zinc/26/72/85/841267285.db2.gz XTGFVDGBDKVXOG-UHFFFAOYSA-N 1 3 393.491 3.737 20 5 GHBDHO C[NH2+]CC1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000435384403 850449361 /nfs/dbraw/zinc/44/93/61/850449361.db2.gz MPQARBABNGNKQK-UHFFFAOYSA-N 1 3 399.491 3.614 20 5 GHBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441719 856460424 /nfs/dbraw/zinc/46/04/24/856460424.db2.gz KJDPDVZSPSZENT-XLIONFOSSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441719 856460429 /nfs/dbraw/zinc/46/04/29/856460429.db2.gz KJDPDVZSPSZENT-XLIONFOSSA-N 1 3 383.492 3.711 20 5 GHBDHO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000173389284 856902066 /nfs/dbraw/zinc/90/20/66/856902066.db2.gz NCYIXRQJHYZPJE-JKSUJKDBSA-N 1 3 386.471 3.898 20 5 GHBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595066683 858369329 /nfs/dbraw/zinc/36/93/29/858369329.db2.gz LYGIYIRGYGODQX-GOSISDBHSA-N 1 3 382.508 3.813 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585902 878234763 /nfs/dbraw/zinc/23/47/63/878234763.db2.gz CSGYDZBEAAKOEL-UWJYYQICSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585902 878234778 /nfs/dbraw/zinc/23/47/78/878234778.db2.gz CSGYDZBEAAKOEL-UWJYYQICSA-N 1 3 375.513 3.605 20 5 GHBDHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000537205756 894595298 /nfs/dbraw/zinc/59/52/98/894595298.db2.gz RBTOPKFOTRDOGJ-HXUWFJFHSA-N 1 3 381.476 3.715 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001172906634 905934227 /nfs/dbraw/zinc/93/42/27/905934227.db2.gz YVOITSPYTLFWHN-QFIPXVFZSA-N 1 3 394.519 3.739 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(C3CC[NH+](C)CC3)CC2)c1F ZINC001173189852 906271319 /nfs/dbraw/zinc/27/13/19/906271319.db2.gz NGMOJEBMJCLIQG-OAHLLOKOSA-N 1 3 393.503 3.727 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(CC3CCCCC3)CC2)n1 ZINC000774159861 911459317 /nfs/dbraw/zinc/45/93/17/911459317.db2.gz QNWFGMMUKZSPBF-VQTJNVASSA-N 1 3 389.544 3.909 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccc(F)cc3)CCNCC2)c([N+](=O)[O-])c1 ZINC001246336936 1037301209 /nfs/dbraw/zinc/30/12/09/1037301209.db2.gz PJFNTUQGJYRRQB-OAHLLOKOSA-N 1 3 387.455 3.542 20 5 GHBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[NH2+]Cc2cccnc2)s1 ZINC000414869035 838918377 /nfs/dbraw/zinc/91/83/77/838918377.db2.gz BAQFTVKTXYNCMD-UHFFFAOYSA-N 1 3 382.489 3.988 20 5 GHBDHO O=[N+]([O-])c1cccc(OCCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432668836 843382505 /nfs/dbraw/zinc/38/25/05/843382505.db2.gz KVLSAHRYWHOCMH-IBGZPJMESA-N 1 3 387.505 3.679 20 5 GHBDHO CCOc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000595067376 858369886 /nfs/dbraw/zinc/36/98/86/858369886.db2.gz PCXWDBGHQRYVNL-QGZVFWFLSA-N 1 3 398.507 3.951 20 5 GHBDHO COc1cc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000595904554 858712275 /nfs/dbraw/zinc/71/22/75/858712275.db2.gz FZHJHKQBLWYTJI-TZMCWYRMSA-N 1 3 387.427 3.544 20 5 GHBDHO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000491591525 875824832 /nfs/dbraw/zinc/82/48/32/875824832.db2.gz MCBRZTFNWJPFLJ-QGZVFWFLSA-N 1 3 393.491 3.735 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000853120658 878827141 /nfs/dbraw/zinc/82/71/41/878827141.db2.gz NWOZGNHTPQVNOT-IFMALSPDSA-N 1 3 395.503 3.520 20 5 GHBDHO Cc1c([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cccc1[N+](=O)[O-] ZINC000132698588 903298004 /nfs/dbraw/zinc/29/80/04/903298004.db2.gz XZOANNQKMFADLX-KRWDZBQOSA-N 1 3 383.492 3.711 20 5 GHBDHO [NH3+]C1(c2cccc(F)c2)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906603 905933130 /nfs/dbraw/zinc/93/31/30/905933130.db2.gz YPAQJLDVQDCWHI-FQEVSTJZSA-N 1 3 383.467 3.931 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(CC3CCC3)CC2)c1F ZINC001173181147 906260478 /nfs/dbraw/zinc/26/04/78/906260478.db2.gz NZLBOJOBXCUHGW-AWEZNQCLSA-N 1 3 379.476 3.528 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CNC2 ZINC001164492928 1026531027 /nfs/dbraw/zinc/53/10/27/1026531027.db2.gz PEFHPEKJYXWLQE-FFZOFVMBSA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CNC2 ZINC001164492928 1026531034 /nfs/dbraw/zinc/53/10/34/1026531034.db2.gz PEFHPEKJYXWLQE-FFZOFVMBSA-N 1 3 378.476 3.521 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3cc(Cl)ncc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001159460009 1034605972 /nfs/dbraw/zinc/60/59/72/1034605972.db2.gz KKAAMMJKYQJKGC-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccc(Cl)cc3)CCNCC1)C2 ZINC001246395090 1037354310 /nfs/dbraw/zinc/35/43/10/1037354310.db2.gz VZEMXLJHXDYWSW-IBGZPJMESA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246395090 1037354323 /nfs/dbraw/zinc/35/43/23/1037354323.db2.gz VZEMXLJHXDYWSW-IBGZPJMESA-N 1 3 385.895 3.670 20 5 GHBDHO COc1ccc(C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CCNCC2)cc1 ZINC001246955330 1037766347 /nfs/dbraw/zinc/76/63/47/1037766347.db2.gz RZPCGOMBURLFLT-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CCNCC2)cc1 ZINC001246955330 1037766371 /nfs/dbraw/zinc/76/63/71/1037766371.db2.gz RZPCGOMBURLFLT-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO COc1ccc(CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)cc1 ZINC001246955330 1037766392 /nfs/dbraw/zinc/76/63/92/1037766392.db2.gz RZPCGOMBURLFLT-KRWDZBQOSA-N 1 3 383.492 3.789 20 5 GHBDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469986 1040256209 /nfs/dbraw/zinc/25/62/09/1040256209.db2.gz LANOQTLCCNOOQV-SFHVURJKSA-N 1 3 382.508 3.661 20 5 GHBDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469986 1040256219 /nfs/dbraw/zinc/25/62/19/1040256219.db2.gz LANOQTLCCNOOQV-SFHVURJKSA-N 1 3 382.508 3.661 20 5 GHBDHO C[C@@H](C[NH3+])CN(Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469986 1040256230 /nfs/dbraw/zinc/25/62/30/1040256230.db2.gz LANOQTLCCNOOQV-SFHVURJKSA-N 1 3 382.508 3.661 20 5 GHBDHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414297559 836964650 /nfs/dbraw/zinc/96/46/50/836964650.db2.gz GHWQDSLCROJTQG-OAQYLSRUSA-N 1 3 383.492 3.663 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000513786499 847576474 /nfs/dbraw/zinc/57/64/74/847576474.db2.gz IATSJNSAVPBHIE-WERVVEIQSA-N 1 3 389.540 3.785 20 5 GHBDHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000435386889 850454215 /nfs/dbraw/zinc/45/42/15/850454215.db2.gz VZMGZTXPPYOZIQ-UHFFFAOYSA-N 1 3 399.491 3.614 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000489143241 852045462 /nfs/dbraw/zinc/04/54/62/852045462.db2.gz XVLXWPWNNDMAEM-BZSNNMDCSA-N 1 3 375.513 3.785 20 5 GHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830305 852443563 /nfs/dbraw/zinc/44/35/63/852443563.db2.gz XFEQRRQIDFIGTJ-FGTMMUONSA-N 1 3 375.513 3.867 20 5 GHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830305 852443567 /nfs/dbraw/zinc/44/35/67/852443567.db2.gz XFEQRRQIDFIGTJ-FGTMMUONSA-N 1 3 375.513 3.867 20 5 GHBDHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403191 857379775 /nfs/dbraw/zinc/37/97/75/857379775.db2.gz NFWBDFWFPFYYOF-DBVUQKKJSA-N 1 3 383.492 3.990 20 5 GHBDHO COc1ccc(C[C@H](C)NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170316981 881347866 /nfs/dbraw/zinc/34/78/66/881347866.db2.gz AYWXTRJSIUGDFV-INIZCTEOSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170316981 881347889 /nfs/dbraw/zinc/34/78/89/881347889.db2.gz AYWXTRJSIUGDFV-INIZCTEOSA-N 1 3 375.513 3.779 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)ccc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170528384 885553657 /nfs/dbraw/zinc/55/36/57/885553657.db2.gz OQXZCZHMONQQTL-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO CC1CC[NH+](Cc2ccccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818956755 896293071 /nfs/dbraw/zinc/29/30/71/896293071.db2.gz ONMKCNIACAOXGP-QFIPXVFZSA-N 1 3 383.492 3.650 20 5 GHBDHO Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001461196801 1069437154 /nfs/dbraw/zinc/43/71/54/1069437154.db2.gz TWLYQERZGUCOSI-UHFFFAOYSA-N 1 3 383.492 3.976 20 5 GHBDHO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4C[C@@H](F)CCN4)c4ccccc43)oc-2c1 ZINC001219369543 1031383959 /nfs/dbraw/zinc/38/39/59/1031383959.db2.gz HNNYJLQMBDGUCB-SGTLLEGYSA-N 1 3 390.418 3.594 20 5 GHBDHO CC(C)[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CCCNCC1 ZINC001246592600 1037493434 /nfs/dbraw/zinc/49/34/34/1037493434.db2.gz KQNYRIPCWHUYDK-HNNXBMFYSA-N 1 3 396.482 3.694 20 5 GHBDHO CC(C)[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CCCNCC1 ZINC001246592600 1037493460 /nfs/dbraw/zinc/49/34/60/1037493460.db2.gz KQNYRIPCWHUYDK-HNNXBMFYSA-N 1 3 396.482 3.694 20 5 GHBDHO O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411654413 836268965 /nfs/dbraw/zinc/26/89/65/836268965.db2.gz HFPQOKBMXXWCHP-UHFFFAOYSA-N 1 3 383.496 3.614 20 5 GHBDHO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)o2)c1 ZINC000179988186 836533523 /nfs/dbraw/zinc/53/35/23/836533523.db2.gz VRXKBDPMRBGPSQ-UHFFFAOYSA-N 1 3 399.491 3.932 20 5 GHBDHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414297556 836964464 /nfs/dbraw/zinc/96/44/64/836964464.db2.gz GHWQDSLCROJTQG-NRFANRHFSA-N 1 3 383.492 3.663 20 5 GHBDHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000414310001 837034198 /nfs/dbraw/zinc/03/41/98/837034198.db2.gz SNUWNZOODWKQMY-GOSISDBHSA-N 1 3 383.492 3.581 20 5 GHBDHO [NH3+][C@@H]1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414922440 838988117 /nfs/dbraw/zinc/98/81/17/838988117.db2.gz GSUTWQQPQFIPCW-MOPGFXCFSA-N 1 3 391.475 3.807 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132696844 861397543 /nfs/dbraw/zinc/39/75/43/861397543.db2.gz VCZAKIITVLFVNM-QGZVFWFLSA-N 1 3 383.492 3.711 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000853120779 878829652 /nfs/dbraw/zinc/82/96/52/878829652.db2.gz QFWMMWYUEFYWSA-RBBKRZOGSA-N 1 3 395.503 3.520 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224005 896516964 /nfs/dbraw/zinc/51/69/64/896516964.db2.gz SYKGJHYTVIIIRZ-CWKRKGSWSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224005 896516977 /nfs/dbraw/zinc/51/69/77/896516977.db2.gz SYKGJHYTVIIIRZ-CWKRKGSWSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376278 /nfs/dbraw/zinc/37/62/78/1040376278.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 1 3 393.531 3.957 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376293 /nfs/dbraw/zinc/37/62/93/1040376293.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 1 3 393.531 3.957 20 5 GHBDHO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549166325 839133541 /nfs/dbraw/zinc/13/35/41/839133541.db2.gz PGGQNYWHXXFPOY-OAQYLSRUSA-N 1 3 383.492 3.994 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328566 840714764 /nfs/dbraw/zinc/71/47/64/840714764.db2.gz GTCUMZPPJISELG-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328566 840714774 /nfs/dbraw/zinc/71/47/74/840714774.db2.gz GTCUMZPPJISELG-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782150 852387723 /nfs/dbraw/zinc/38/77/23/852387723.db2.gz FWEZGMKGOLWBNB-FGTMMUONSA-N 1 3 375.513 3.867 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782150 852387733 /nfs/dbraw/zinc/38/77/33/852387733.db2.gz FWEZGMKGOLWBNB-FGTMMUONSA-N 1 3 375.513 3.867 20 5 GHBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054857 871135500 /nfs/dbraw/zinc/13/55/00/871135500.db2.gz NWCHZMPBOLFTIH-MAUKXSAKSA-N 1 3 385.430 3.705 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277332 885198523 /nfs/dbraw/zinc/19/85/23/885198523.db2.gz QSGHIUQZSJKTJB-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277332 885198536 /nfs/dbraw/zinc/19/85/36/885198536.db2.gz QSGHIUQZSJKTJB-FYYLOGMGSA-N 1 3 395.503 3.719 20 5 GHBDHO CC1CC[NH+](Cc2ccccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818958188 896295553 /nfs/dbraw/zinc/29/55/53/896295553.db2.gz YYPXZLCDAWEUSU-QFIPXVFZSA-N 1 3 383.492 3.650 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000819323713 896568180 /nfs/dbraw/zinc/56/81/80/896568180.db2.gz PJJKXZMTKFNWPO-DENIHFKCSA-N 1 3 383.492 3.520 20 5 GHBDHO CCC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271574532 910968105 /nfs/dbraw/zinc/96/81/05/910968105.db2.gz ZOPHVLDKLFGFLV-OAQYLSRUSA-N 1 3 398.507 3.517 20 5 GHBDHO COc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903201058 922848281 /nfs/dbraw/zinc/84/82/81/922848281.db2.gz WLGCWFBOEUQFQW-INIZCTEOSA-N 1 3 384.480 3.561 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414306617 837006697 /nfs/dbraw/zinc/00/66/97/837006697.db2.gz OMLVGZIQVUTQAF-JOCHJYFZSA-N 1 3 395.503 3.589 20 5 GHBDHO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351147 842138959 /nfs/dbraw/zinc/13/89/59/842138959.db2.gz JKGZWULRGCWBFS-MRXNPFEDSA-N 1 3 389.521 3.914 20 5 GHBDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351147 842138961 /nfs/dbraw/zinc/13/89/61/842138961.db2.gz JKGZWULRGCWBFS-MRXNPFEDSA-N 1 3 389.521 3.914 20 5 GHBDHO COc1ccc(C[C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387965 /nfs/dbraw/zinc/38/79/65/881387965.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 1 3 397.519 3.988 20 5 GHBDHO COc1ccc(C[C@@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387993 /nfs/dbraw/zinc/38/79/93/881387993.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 1 3 397.519 3.988 20 5 GHBDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600566 881575027 /nfs/dbraw/zinc/57/50/27/881575027.db2.gz VCBMJHVMLPZFIN-JOCHJYFZSA-N 1 3 398.507 3.526 20 5 GHBDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600566 881575036 /nfs/dbraw/zinc/57/50/36/881575036.db2.gz VCBMJHVMLPZFIN-JOCHJYFZSA-N 1 3 398.507 3.526 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000447563088 871870826 /nfs/dbraw/zinc/87/08/26/871870826.db2.gz OBDQJQCTKMABMV-RBUKOAKNSA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000447563088 871870848 /nfs/dbraw/zinc/87/08/48/871870848.db2.gz OBDQJQCTKMABMV-RBUKOAKNSA-N 1 3 375.517 3.662 20 5 GHBDHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414803715 875266061 /nfs/dbraw/zinc/26/60/61/875266061.db2.gz NVKQRLRVUSXGNP-UYAOXDASSA-N 1 3 399.491 3.790 20 5 GHBDHO COc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001170528762 885577447 /nfs/dbraw/zinc/57/74/47/885577447.db2.gz VPDOQPSTOZSQCG-UHFFFAOYSA-N 1 3 394.475 3.513 20 5 GHBDHO Cc1c(F)cc([N+](=O)[O-])cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170531952 885704556 /nfs/dbraw/zinc/70/45/56/885704556.db2.gz XEJRNUJDTZBCKK-UHFFFAOYSA-N 1 3 396.466 3.952 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459532 892318215 /nfs/dbraw/zinc/31/82/15/892318215.db2.gz OZYOKDRJIIUIFJ-UTKZUKDTSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459532 892318234 /nfs/dbraw/zinc/31/82/34/892318234.db2.gz OZYOKDRJIIUIFJ-UTKZUKDTSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959392 896295840 /nfs/dbraw/zinc/29/58/40/896295840.db2.gz JFDWODLRWPGMSU-VGOFRKELSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959392 896295850 /nfs/dbraw/zinc/29/58/50/896295850.db2.gz JFDWODLRWPGMSU-VGOFRKELSA-N 1 3 383.492 3.792 20 5 GHBDHO Cc1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000132677666 903294646 /nfs/dbraw/zinc/29/46/46/903294646.db2.gz MTFCGPVEEKWTRD-KRWDZBQOSA-N 1 3 383.492 3.711 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583510 921162241 /nfs/dbraw/zinc/16/22/41/921162241.db2.gz ZIOLQBOVFSVEGL-LEWJYISDSA-N 1 3 383.492 3.519 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583510 921162247 /nfs/dbraw/zinc/16/22/47/921162247.db2.gz ZIOLQBOVFSVEGL-LEWJYISDSA-N 1 3 383.492 3.519 20 5 GHBDHO C[NH+]1CCC(N2CCC(Nc3cccc(C(F)(F)F)c3[N+](=O)[O-])CC2)CC1 ZINC001162333157 1025716928 /nfs/dbraw/zinc/71/69/28/1025716928.db2.gz BPYGLPGNKLNEQY-UHFFFAOYSA-N 1 3 386.418 3.584 20 5 GHBDHO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNCc3nc4ccccc4o3)CC2)cc1 ZINC001207610522 1034486682 /nfs/dbraw/zinc/48/66/82/1034486682.db2.gz BMPMAGNWPKUEHG-UHFFFAOYSA-N 1 3 394.475 3.780 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001246663412 1037533127 /nfs/dbraw/zinc/53/31/27/1037533127.db2.gz JZZICYBYZHFYMC-YOEHRIQHSA-N 1 3 379.476 3.528 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001254479454 1040265932 /nfs/dbraw/zinc/26/59/32/1040265932.db2.gz ZWEJNJSTOWPVHG-HXUWFJFHSA-N 1 3 386.540 3.904 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001254479454 1040265951 /nfs/dbraw/zinc/26/59/51/1040265951.db2.gz ZWEJNJSTOWPVHG-HXUWFJFHSA-N 1 3 386.540 3.904 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCCC2 ZINC000417311658 840708298 /nfs/dbraw/zinc/70/82/98/840708298.db2.gz POVZFTSURBCCIX-FSSWDIPSSA-N 1 3 387.524 3.720 20 5 GHBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452511 856653618 /nfs/dbraw/zinc/65/36/18/856653618.db2.gz PVKAOLXDCZFAAU-UTKZUKDTSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452511 856653628 /nfs/dbraw/zinc/65/36/28/856653628.db2.gz PVKAOLXDCZFAAU-UTKZUKDTSA-N 1 3 383.492 3.711 20 5 GHBDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000179915348 878211510 /nfs/dbraw/zinc/21/15/10/878211510.db2.gz DONBEDCHTMIJMZ-UHFFFAOYSA-N 1 3 394.479 3.536 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000853120659 878829028 /nfs/dbraw/zinc/82/90/28/878829028.db2.gz NWOZGNHTPQVNOT-IRLDBZIGSA-N 1 3 395.503 3.520 20 5 GHBDHO COc1ccc(C2([NH3+])CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172906689 905933025 /nfs/dbraw/zinc/93/30/25/905933025.db2.gz OHXMKJLZHCHIRQ-FQEVSTJZSA-N 1 3 395.503 3.801 20 5 GHBDHO Cc1ccc(C[NH+]2C[C@@H]3CN([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223669 906304976 /nfs/dbraw/zinc/30/49/76/906304976.db2.gz GMCAQLPFJNDCBE-VLCRHTCISA-N 1 3 379.504 3.898 20 5 GHBDHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227892 907161253 /nfs/dbraw/zinc/16/12/53/907161253.db2.gz KJDPDVZSPSZENT-FXAWDEMLSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227892 907161262 /nfs/dbraw/zinc/16/12/62/907161262.db2.gz KJDPDVZSPSZENT-FXAWDEMLSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1nc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]c1C ZINC001473801787 1074148411 /nfs/dbraw/zinc/14/84/11/1074148411.db2.gz HZLICURHJQTIBC-AWEZNQCLSA-N 1 3 396.451 3.925 20 5 GHBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000415129983 839257076 /nfs/dbraw/zinc/25/70/76/839257076.db2.gz WAKBNIKZWWDAMF-IERDGZPVSA-N 1 3 385.464 3.573 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430956285 843252293 /nfs/dbraw/zinc/25/22/93/843252293.db2.gz NYKZDSUSZVZRQI-SFHVURJKSA-N 1 3 388.556 3.784 20 5 GHBDHO COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499026 845553138 /nfs/dbraw/zinc/55/31/38/845553138.db2.gz DBGCYYNCUSBPIM-FUHWJXTLSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499026 845553144 /nfs/dbraw/zinc/55/31/44/845553144.db2.gz DBGCYYNCUSBPIM-FUHWJXTLSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1ccc(C[C@@H](C)NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170316982 881347434 /nfs/dbraw/zinc/34/74/34/881347434.db2.gz AYWXTRJSIUGDFV-MRXNPFEDSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170316982 881347454 /nfs/dbraw/zinc/34/74/54/881347454.db2.gz AYWXTRJSIUGDFV-MRXNPFEDSA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@H](C)[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344556 881465092 /nfs/dbraw/zinc/46/50/92/881465092.db2.gz BXVUMZFHYYKKOU-YYWHXJBOSA-N 1 3 395.503 3.598 20 5 GHBDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000538749589 870559505 /nfs/dbraw/zinc/55/95/05/870559505.db2.gz VRGKXIYQUKCEKJ-LJQANCHMSA-N 1 3 387.480 3.788 20 5 GHBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054859 871135652 /nfs/dbraw/zinc/13/56/52/871135652.db2.gz NWCHZMPBOLFTIH-QAPCUYQASA-N 1 3 385.430 3.705 20 5 GHBDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959280 896298442 /nfs/dbraw/zinc/29/84/42/896298442.db2.gz HIPZAFXJMRSWGT-VGSWGCGISA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959280 896298454 /nfs/dbraw/zinc/29/84/54/896298454.db2.gz HIPZAFXJMRSWGT-VGSWGCGISA-N 1 3 383.492 3.650 20 5 GHBDHO CC1CC[NH+](Cc2cccc(CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000818996855 896313923 /nfs/dbraw/zinc/31/39/23/896313923.db2.gz XPKVFUANKBRHFN-JOCHJYFZSA-N 1 3 383.492 3.650 20 5 GHBDHO Cc1ccc2c(c1)[C@@H](Nc1cc3c(cc1[N+](=O)[O-])CNC3)CC21CC[NH2+]CC1 ZINC001163034829 1026017226 /nfs/dbraw/zinc/01/72/26/1026017226.db2.gz WQALWSFAXIASKN-FQEVSTJZSA-N 1 3 378.476 3.685 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328569 840715074 /nfs/dbraw/zinc/71/50/74/840715074.db2.gz GTCUMZPPJISELG-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328569 840715085 /nfs/dbraw/zinc/71/50/85/840715085.db2.gz GTCUMZPPJISELG-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO CC[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000132753292 903304481 /nfs/dbraw/zinc/30/44/81/903304481.db2.gz AIJQKVJGYJSQDC-JOCHJYFZSA-N 1 3 383.492 3.792 20 5 GHBDHO CC1(C)C[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246483781 1037430259 /nfs/dbraw/zinc/43/02/59/1037430259.db2.gz OJOPJEAGHLLIOV-QGZVFWFLSA-N 1 3 390.531 3.628 20 5 GHBDHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC001355372340 1057135795 /nfs/dbraw/zinc/13/57/95/1057135795.db2.gz BBLJRIAJQGPFQH-JFIYKMOQSA-N 1 3 386.521 3.880 20 5 GHBDHO O=[N+]([O-])c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Oc1ccc(F)cc1 ZINC000581884654 837740969 /nfs/dbraw/zinc/74/09/69/837740969.db2.gz RLIOCGNRAUHMCX-CALCHBBNSA-N 1 3 385.439 3.958 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433147490 845501089 /nfs/dbraw/zinc/50/10/89/845501089.db2.gz OUAKNUCWCHARBG-JXXFODFXSA-N 1 3 375.513 3.796 20 5 GHBDHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322753 849856473 /nfs/dbraw/zinc/85/64/73/849856473.db2.gz GTWZBXUGYQKMAF-NDXORKPFSA-N 1 3 383.492 3.660 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482140550 862726010 /nfs/dbraw/zinc/72/60/10/862726010.db2.gz WPZYJNWCZJNVNC-PKOBYXMFSA-N 1 3 390.528 3.722 20 5 GHBDHO COc1ccc(C[C@@H](C)NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327140 881363826 /nfs/dbraw/zinc/36/38/26/881363826.db2.gz FDONZMFPHFDTHC-MSOLQXFVSA-N 1 3 387.524 3.945 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327140 881363843 /nfs/dbraw/zinc/36/38/43/881363843.db2.gz FDONZMFPHFDTHC-MSOLQXFVSA-N 1 3 387.524 3.945 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000853120660 878829605 /nfs/dbraw/zinc/82/96/05/878829605.db2.gz NWOZGNHTPQVNOT-RBBKRZOGSA-N 1 3 395.503 3.520 20 5 GHBDHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000566316786 896232812 /nfs/dbraw/zinc/23/28/12/896232812.db2.gz PHNWGWDQEGUJTH-UHFFFAOYSA-N 1 3 399.491 3.743 20 5 GHBDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000469760919 1016616643 /nfs/dbraw/zinc/61/66/43/1016616643.db2.gz ORQITFLWOYZRIW-QZTJIDSGSA-N 1 3 383.492 3.720 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)CNC2 ZINC001164492930 1026530314 /nfs/dbraw/zinc/53/03/14/1026530314.db2.gz PEFHPEKJYXWLQE-NSISKUIASA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CNC2 ZINC001164492930 1026530319 /nfs/dbraw/zinc/53/03/19/1026530319.db2.gz PEFHPEKJYXWLQE-NSISKUIASA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CNC2 ZINC001164492931 1026531094 /nfs/dbraw/zinc/53/10/94/1026531094.db2.gz PEFHPEKJYXWLQE-PWIZWCRZSA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CNC2 ZINC001164492931 1026531096 /nfs/dbraw/zinc/53/10/96/1026531096.db2.gz PEFHPEKJYXWLQE-PWIZWCRZSA-N 1 3 378.476 3.521 20 5 GHBDHO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606823 1040378443 /nfs/dbraw/zinc/37/84/43/1040378443.db2.gz HYFIOUMPMAUBEZ-JOCHJYFZSA-N 1 3 383.467 3.798 20 5 GHBDHO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606824 1040378774 /nfs/dbraw/zinc/37/87/74/1040378774.db2.gz HYFIOUMPMAUBEZ-QFIPXVFZSA-N 1 3 383.467 3.798 20 5 GHBDHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414930158 838986703 /nfs/dbraw/zinc/98/67/03/838986703.db2.gz SNLJHFXUCNTAOQ-ROUUACIJSA-N 1 3 385.464 3.542 20 5 GHBDHO Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596439465 858897161 /nfs/dbraw/zinc/89/71/61/858897161.db2.gz BZVSMGQRANAHFP-UHFFFAOYSA-N 1 3 391.475 3.592 20 5 GHBDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000538751831 870572431 /nfs/dbraw/zinc/57/24/31/870572431.db2.gz QUVIZVQRNCPXFP-KRWDZBQOSA-N 1 3 387.480 3.788 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224008 896517200 /nfs/dbraw/zinc/51/72/00/896517200.db2.gz SYKGJHYTVIIIRZ-MLDBQTBOSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224008 896517215 /nfs/dbraw/zinc/51/72/15/896517215.db2.gz SYKGJHYTVIIIRZ-MLDBQTBOSA-N 1 3 395.503 3.519 20 5 GHBDHO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC12CCOCC2 ZINC000570682729 899504567 /nfs/dbraw/zinc/50/45/67/899504567.db2.gz NJEKTCGUMPOKTP-OAHLLOKOSA-N 1 3 387.505 3.511 20 5 GHBDHO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[C@H](C)N1 ZINC001246484854 1037430531 /nfs/dbraw/zinc/43/05/31/1037430531.db2.gz RYTDUGPWKUZQOD-BCDXTJNWSA-N 1 3 390.531 3.627 20 5 GHBDHO CCC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001253103844 1039426379 /nfs/dbraw/zinc/42/63/79/1039426379.db2.gz MNVHCXHEMVCPOD-QHCPKHFHSA-N 1 3 396.535 3.973 20 5 GHBDHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414803412 838846783 /nfs/dbraw/zinc/84/67/83/838846783.db2.gz NVKQRLRVUSXGNP-AZUAARDMSA-N 1 3 399.491 3.790 20 5 GHBDHO CCC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068525 858370954 /nfs/dbraw/zinc/37/09/54/858370954.db2.gz IKQGWYFAAARDJG-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068525 858370958 /nfs/dbraw/zinc/37/09/58/858370958.db2.gz IKQGWYFAAARDJG-VXKWHMMOSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595908656 858715113 /nfs/dbraw/zinc/71/51/13/858715113.db2.gz OLFYAKNRTWENTQ-HNNXBMFYSA-N 1 3 383.496 3.726 20 5 GHBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595908656 858715122 /nfs/dbraw/zinc/71/51/22/858715122.db2.gz OLFYAKNRTWENTQ-HNNXBMFYSA-N 1 3 383.496 3.726 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000540988365 872683088 /nfs/dbraw/zinc/68/30/88/872683088.db2.gz KILNUELEASIVDD-LAUBAEHRSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000540988365 872683094 /nfs/dbraw/zinc/68/30/94/872683094.db2.gz KILNUELEASIVDD-LAUBAEHRSA-N 1 3 383.492 3.711 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000853120777 878829387 /nfs/dbraw/zinc/82/93/87/878829387.db2.gz QFWMMWYUEFYWSA-IFMALSPDSA-N 1 3 395.503 3.520 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415133200 880612381 /nfs/dbraw/zinc/61/23/81/880612381.db2.gz UYGSRQATBCJPAS-TZIWHRDSSA-N 1 3 385.464 3.573 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000249001388 889071693 /nfs/dbraw/zinc/07/16/93/889071693.db2.gz QSGHIUQZSJKTJB-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000249001388 889071710 /nfs/dbraw/zinc/07/17/10/889071710.db2.gz QSGHIUQZSJKTJB-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459652 892317915 /nfs/dbraw/zinc/31/79/15/892317915.db2.gz OZYOKDRJIIUIFJ-UWJYYQICSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459652 892317936 /nfs/dbraw/zinc/31/79/36/892317936.db2.gz OZYOKDRJIIUIFJ-UWJYYQICSA-N 1 3 375.513 3.605 20 5 GHBDHO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC12CCOCC2 ZINC000563135595 893397741 /nfs/dbraw/zinc/39/77/41/893397741.db2.gz RJWJJZVCJMVWRA-MRXNPFEDSA-N 1 3 387.505 3.511 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959777 896296445 /nfs/dbraw/zinc/29/64/45/896296445.db2.gz SUDHSEYIDDNHIP-JTSKRJEESA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959777 896296455 /nfs/dbraw/zinc/29/64/55/896296455.db2.gz SUDHSEYIDDNHIP-JTSKRJEESA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959776 896296976 /nfs/dbraw/zinc/29/69/76/896296976.db2.gz SUDHSEYIDDNHIP-HTAPYJJXSA-N 1 3 383.492 3.792 20 5 GHBDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959776 896296984 /nfs/dbraw/zinc/29/69/84/896296984.db2.gz SUDHSEYIDDNHIP-HTAPYJJXSA-N 1 3 383.492 3.792 20 5 GHBDHO CC1CC[NH+](Cc2cccc(CNC[C@H](O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000818996219 896312117 /nfs/dbraw/zinc/31/21/17/896312117.db2.gz MTSUUYIIABBCDB-QFIPXVFZSA-N 1 3 383.492 3.650 20 5 GHBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228687 907164045 /nfs/dbraw/zinc/16/40/45/907164045.db2.gz PVKAOLXDCZFAAU-LAUBAEHRSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228687 907164053 /nfs/dbraw/zinc/16/40/53/907164053.db2.gz PVKAOLXDCZFAAU-LAUBAEHRSA-N 1 3 383.492 3.711 20 5 GHBDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467835850 929485111 /nfs/dbraw/zinc/48/51/11/929485111.db2.gz AELHYDHKXUZALP-FQEVSTJZSA-N 1 3 396.535 3.843 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3ncc([N+](=O)[O-])cc3Cl)c3ccccc23)CC1 ZINC001159459784 1034603863 /nfs/dbraw/zinc/60/38/63/1034603863.db2.gz FKBSMFMCZDWWHZ-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3ncc(Cl)cc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001159460006 1034605712 /nfs/dbraw/zinc/60/57/12/1034605712.db2.gz KDPPOCAALGBJLT-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001246663410 1037533762 /nfs/dbraw/zinc/53/37/62/1037533762.db2.gz JZZICYBYZHFYMC-WMLDXEAASA-N 1 3 379.476 3.528 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936759 1037741436 /nfs/dbraw/zinc/74/14/36/1037741436.db2.gz JNIKNDPZRPLXAV-SJORKVTESA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936759 1037741445 /nfs/dbraw/zinc/74/14/45/1037741445.db2.gz JNIKNDPZRPLXAV-SJORKVTESA-N 1 3 375.513 3.779 20 5 GHBDHO COc1cc(N2CCC([N@H+](CCCN)C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256084457 1041514930 /nfs/dbraw/zinc/51/49/30/1041514930.db2.gz DIYHNSZDEVIYTE-UHFFFAOYSA-N 1 3 390.528 3.556 20 5 GHBDHO COc1cc(N2CCC([N@@H+](CCCN)C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256084457 1041514940 /nfs/dbraw/zinc/51/49/40/1041514940.db2.gz DIYHNSZDEVIYTE-UHFFFAOYSA-N 1 3 390.528 3.556 20 5 GHBDHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414792605 838843226 /nfs/dbraw/zinc/84/32/26/838843226.db2.gz CLKDDDQUJNSREI-UYAOXDASSA-N 1 3 399.491 3.790 20 5 GHBDHO CC(C)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973532 858336240 /nfs/dbraw/zinc/33/62/40/858336240.db2.gz FDORDHLQCFCIOF-FQEVSTJZSA-N 1 3 383.492 3.575 20 5 GHBDHO CC(C)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973532 858336247 /nfs/dbraw/zinc/33/62/47/858336247.db2.gz FDORDHLQCFCIOF-FQEVSTJZSA-N 1 3 383.492 3.575 20 5 GHBDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000538751832 870572155 /nfs/dbraw/zinc/57/21/55/870572155.db2.gz QUVIZVQRNCPXFP-QGZVFWFLSA-N 1 3 387.480 3.788 20 5 GHBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000866388673 888853534 /nfs/dbraw/zinc/85/35/34/888853534.db2.gz MBDFDPPDSHUTBJ-INIZCTEOSA-N 1 3 386.471 3.562 20 5 GHBDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960109 896266824 /nfs/dbraw/zinc/26/68/24/896266824.db2.gz XNFBMIZDEUTVIJ-JTSKRJEESA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960109 896266834 /nfs/dbraw/zinc/26/68/34/896266834.db2.gz XNFBMIZDEUTVIJ-JTSKRJEESA-N 1 3 383.492 3.650 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224006 896517260 /nfs/dbraw/zinc/51/72/60/896517260.db2.gz SYKGJHYTVIIIRZ-JMJGKCIBSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000819224006 896517277 /nfs/dbraw/zinc/51/72/77/896517277.db2.gz SYKGJHYTVIIIRZ-JMJGKCIBSA-N 1 3 395.503 3.519 20 5 GHBDHO Cc1ccc(C[N@@H+]2C[C@H]3CN([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223665 906305662 /nfs/dbraw/zinc/30/56/62/906305662.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 1 3 379.504 3.898 20 5 GHBDHO Cc1ccc(C[N@H+]2C[C@H]3CN([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)cc1 ZINC001173223665 906305676 /nfs/dbraw/zinc/30/56/76/906305676.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 1 3 379.504 3.898 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000192834353 908828981 /nfs/dbraw/zinc/82/89/81/908828981.db2.gz VPHGNKQFPFWMCQ-QHCPKHFHSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246390256 1037349629 /nfs/dbraw/zinc/34/96/29/1037349629.db2.gz JCHNREISPGLTCF-SFHVURJKSA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccccc3Cl)CCNCC1)C2 ZINC001246390256 1037349640 /nfs/dbraw/zinc/34/96/40/1037349640.db2.gz JCHNREISPGLTCF-SFHVURJKSA-N 1 3 385.895 3.670 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936767 1037742862 /nfs/dbraw/zinc/74/28/62/1037742862.db2.gz JOUQOLLBFMWSAW-CVEARBPZSA-N 1 3 393.503 3.918 20 5 GHBDHO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253400733 1039601953 /nfs/dbraw/zinc/60/19/53/1039601953.db2.gz NBFLZGFLTPQSRB-IBGZPJMESA-N 1 3 380.536 3.923 20 5 GHBDHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 ZINC001355372346 1057136053 /nfs/dbraw/zinc/13/60/53/1057136053.db2.gz BBLJRIAJQGPFQH-SOLBZPMBSA-N 1 3 386.521 3.880 20 5 GHBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372537 838759937 /nfs/dbraw/zinc/75/99/37/838759937.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 1 3 383.492 3.818 20 5 GHBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372537 838759948 /nfs/dbraw/zinc/75/99/48/838759948.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 1 3 383.492 3.818 20 5 GHBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000415129982 839256549 /nfs/dbraw/zinc/25/65/49/839256549.db2.gz WAKBNIKZWWDAMF-HRAATJIYSA-N 1 3 385.464 3.573 20 5 GHBDHO C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000584730803 840696532 /nfs/dbraw/zinc/69/65/32/840696532.db2.gz PXGGCOTYWPVAJV-OAQYLSRUSA-N 1 3 381.476 3.845 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328570 840714969 /nfs/dbraw/zinc/71/49/69/840714969.db2.gz GTCUMZPPJISELG-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328570 840714979 /nfs/dbraw/zinc/71/49/79/840714979.db2.gz GTCUMZPPJISELG-GMAHTHKFSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccccc1OCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053767 845097192 /nfs/dbraw/zinc/09/71/92/845097192.db2.gz RRZOCKDUYRBQBZ-UHFFFAOYSA-N 1 3 395.503 3.962 20 5 GHBDHO COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499027 845553275 /nfs/dbraw/zinc/55/32/75/845553275.db2.gz DBGCYYNCUSBPIM-SJLPKXTDSA-N 1 3 399.491 3.699 20 5 GHBDHO COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000513499027 845553284 /nfs/dbraw/zinc/55/32/84/845553284.db2.gz DBGCYYNCUSBPIM-SJLPKXTDSA-N 1 3 399.491 3.699 20 5 GHBDHO CCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000246455404 850762486 /nfs/dbraw/zinc/76/24/86/850762486.db2.gz PMRCRNRCKCJVBE-PCCBWWKXSA-N 1 3 375.513 3.794 20 5 GHBDHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403190 857379323 /nfs/dbraw/zinc/37/93/23/857379323.db2.gz NFWBDFWFPFYYOF-AHRSYUTCSA-N 1 3 383.492 3.990 20 5 GHBDHO COc1ccc(C[C@@H](C)NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327142 881365089 /nfs/dbraw/zinc/36/50/89/881365089.db2.gz FDONZMFPHFDTHC-QZTJIDSGSA-N 1 3 387.524 3.945 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327142 881365105 /nfs/dbraw/zinc/36/51/05/881365105.db2.gz FDONZMFPHFDTHC-QZTJIDSGSA-N 1 3 387.524 3.945 20 5 GHBDHO CC1CC[NH+](Cc2cccc(CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000818996218 896312717 /nfs/dbraw/zinc/31/27/17/896312717.db2.gz MTSUUYIIABBCDB-JOCHJYFZSA-N 1 3 383.492 3.650 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001172916847 905988200 /nfs/dbraw/zinc/98/82/00/905988200.db2.gz UFPGKIPKAVHRTJ-IBGZPJMESA-N 1 3 375.488 3.741 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCNCC1)CC2 ZINC001246393044 1037355170 /nfs/dbraw/zinc/35/51/70/1037355170.db2.gz STQBBZHBWCUBDQ-NRFANRHFSA-N 1 3 397.494 3.936 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(Cc3ccccc3)CCNCC1)CC2 ZINC001246470926 1037422847 /nfs/dbraw/zinc/42/28/47/1037422847.db2.gz ZVSVKXWGDQCBNE-OAQYLSRUSA-N 1 3 379.504 3.797 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936768 1037742029 /nfs/dbraw/zinc/74/20/29/1037742029.db2.gz JOUQOLLBFMWSAW-HOTGVXAUSA-N 1 3 393.503 3.918 20 5 GHBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415133197 839260913 /nfs/dbraw/zinc/26/09/13/839260913.db2.gz UYGSRQATBCJPAS-PZJWPPBQSA-N 1 3 385.464 3.573 20 5 GHBDHO C[NH+]1CCC(Oc2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000584730802 842699336 /nfs/dbraw/zinc/69/93/36/842699336.db2.gz PXGGCOTYWPVAJV-NRFANRHFSA-N 1 3 381.476 3.845 20 5 GHBDHO CC1(C)C[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240212 843889890 /nfs/dbraw/zinc/88/98/90/843889890.db2.gz NMDQVTAZIBGSFY-UGKGYDQZSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240212 843889902 /nfs/dbraw/zinc/88/99/02/843889902.db2.gz NMDQVTAZIBGSFY-UGKGYDQZSA-N 1 3 395.503 3.674 20 5 GHBDHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446049 856460676 /nfs/dbraw/zinc/46/06/76/856460676.db2.gz MWPZELLFOPTYFS-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446049 856460681 /nfs/dbraw/zinc/46/06/81/856460681.db2.gz MWPZELLFOPTYFS-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351722 881498010 /nfs/dbraw/zinc/49/80/10/881498010.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 1 3 375.513 3.873 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC001170351722 881498020 /nfs/dbraw/zinc/49/80/20/881498020.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 1 3 375.513 3.873 20 5 GHBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054861 871135578 /nfs/dbraw/zinc/13/55/78/871135578.db2.gz NWCHZMPBOLFTIH-YJBOKZPZSA-N 1 3 385.430 3.705 20 5 GHBDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCOc1ccccc1[N+](=O)[O-] ZINC000460355513 872929775 /nfs/dbraw/zinc/92/97/75/872929775.db2.gz XNMRYWZFMPAQFG-QZTJIDSGSA-N 1 3 383.492 3.720 20 5 GHBDHO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527791 885563922 /nfs/dbraw/zinc/56/39/22/885563922.db2.gz CHWYYBOURWSMBW-UHFFFAOYSA-N 1 3 396.466 3.952 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000192834339 908828489 /nfs/dbraw/zinc/82/84/89/908828489.db2.gz VPHGNKQFPFWMCQ-HSZRJFAPSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@@H]1CC([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C[C@@H](C)N1 ZINC001246484856 1037430200 /nfs/dbraw/zinc/43/02/00/1037430200.db2.gz RYTDUGPWKUZQOD-IAGOWNOFSA-N 1 3 390.531 3.627 20 5 GHBDHO Cc1ncsc1CN(C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308619733 1050035462 /nfs/dbraw/zinc/03/54/62/1050035462.db2.gz PWZJLWFQFOUXQT-UHFFFAOYSA-N 1 3 388.537 3.746 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516282 837338114 /nfs/dbraw/zinc/33/81/14/837338114.db2.gz FHGDMUHASVDLIT-FGZHOGPDSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516282 837338123 /nfs/dbraw/zinc/33/81/23/837338123.db2.gz FHGDMUHASVDLIT-FGZHOGPDSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000595065071 858369295 /nfs/dbraw/zinc/36/92/95/858369295.db2.gz BWZZAOORQSDQHX-JOCHJYFZSA-N 1 3 394.519 3.813 20 5 GHBDHO CCC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068523 858370689 /nfs/dbraw/zinc/37/06/89/858370689.db2.gz IKQGWYFAAARDJG-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068523 858370700 /nfs/dbraw/zinc/37/07/00/858370700.db2.gz IKQGWYFAAARDJG-FCHUYYIVSA-N 1 3 383.492 3.792 20 5 GHBDHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000540495183 871419618 /nfs/dbraw/zinc/41/96/18/871419618.db2.gz JPWCNMATLXSSBK-FQEVSTJZSA-N 1 3 397.475 3.551 20 5 GHBDHO CN1CCC2(CC1)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O2 ZINC000540495183 871419633 /nfs/dbraw/zinc/41/96/33/871419633.db2.gz JPWCNMATLXSSBK-FQEVSTJZSA-N 1 3 397.475 3.551 20 5 GHBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000460355207 872928313 /nfs/dbraw/zinc/92/83/13/872928313.db2.gz WLXZGWHGNFEUIF-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000460355207 872928332 /nfs/dbraw/zinc/92/83/32/872928332.db2.gz WLXZGWHGNFEUIF-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000536693159 893549931 /nfs/dbraw/zinc/54/99/31/893549931.db2.gz IZTXCEPRVDHOIQ-LJQANCHMSA-N 1 3 387.480 3.788 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001173191433 906273164 /nfs/dbraw/zinc/27/31/64/906273164.db2.gz LCSJBFFDORCXAQ-ZDUSSCGKSA-N 1 3 381.492 3.915 20 5 GHBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294021 910219218 /nfs/dbraw/zinc/21/92/18/910219218.db2.gz OZYOKDRJIIUIFJ-DYESRHJHSA-N 1 3 375.513 3.605 20 5 GHBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294021 910219232 /nfs/dbraw/zinc/21/92/32/910219232.db2.gz OZYOKDRJIIUIFJ-DYESRHJHSA-N 1 3 375.513 3.605 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000470185965 930440118 /nfs/dbraw/zinc/44/01/18/930440118.db2.gz NLXDRUGNGGJODM-GFLCFMILSA-N 1 3 387.524 3.819 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3nccc(Cl)c3[N+](=O)[O-])c3ccccc23)CC1 ZINC001159459679 1034603939 /nfs/dbraw/zinc/60/39/39/1034603939.db2.gz AMXVHWGQJHDKRX-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001319764188 1055451918 /nfs/dbraw/zinc/45/19/18/1055451918.db2.gz YWROEWSVUCELSY-JOCHJYFZSA-N 1 3 382.508 3.583 20 5 GHBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415133192 839261032 /nfs/dbraw/zinc/26/10/32/839261032.db2.gz UYGSRQATBCJPAS-FPOVZHCZSA-N 1 3 385.464 3.573 20 5 GHBDHO COc1ccc(OCCN2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000443600294 859035942 /nfs/dbraw/zinc/03/59/42/859035942.db2.gz IJFMTJJKAFHZRQ-UHFFFAOYSA-N 1 3 391.512 3.570 20 5 GHBDHO CSC1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000602666778 860200720 /nfs/dbraw/zinc/20/07/20/860200720.db2.gz JZLDAVYZOPQFDR-UHFFFAOYSA-N 1 3 377.432 3.531 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000853120780 878829463 /nfs/dbraw/zinc/82/94/63/878829463.db2.gz QFWMMWYUEFYWSA-UNMCSNQZSA-N 1 3 395.503 3.520 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001172903080 905925335 /nfs/dbraw/zinc/92/53/35/905925335.db2.gz DSFOXRDETJMJKL-NRFANRHFSA-N 1 3 394.519 3.739 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1F ZINC001173184951 906266437 /nfs/dbraw/zinc/26/64/37/906266437.db2.gz SXUUDEOTPQWLEP-CQSZACIVSA-N 1 3 379.476 3.670 20 5 GHBDHO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001191359715 917960664 /nfs/dbraw/zinc/96/06/64/917960664.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 1 3 395.503 3.962 20 5 GHBDHO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001191359715 917960676 /nfs/dbraw/zinc/96/06/76/917960676.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 1 3 395.503 3.962 20 5 GHBDHO COc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000903201059 922848845 /nfs/dbraw/zinc/84/88/45/922848845.db2.gz WLGCWFBOEUQFQW-MRXNPFEDSA-N 1 3 384.480 3.561 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(c3ccc(F)cc3)CC[NH2+]CC1)CC2 ZINC001246337009 1037301709 /nfs/dbraw/zinc/30/17/09/1037301709.db2.gz PUEBOCOYSDEUQF-FQEVSTJZSA-N 1 3 383.467 3.850 20 5 GHBDHO COc1cccc(C2(N[C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[NH2+]CC2)c1 ZINC001246415987 1037370840 /nfs/dbraw/zinc/37/08/40/1037370840.db2.gz OFVHHGJVKKGUNZ-FQEVSTJZSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246681864 1037545645 /nfs/dbraw/zinc/54/56/45/1037545645.db2.gz ABARJUKECPNDEC-JMUQELJHSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246681864 1037545663 /nfs/dbraw/zinc/54/56/63/1037545663.db2.gz ABARJUKECPNDEC-JMUQELJHSA-N 1 3 379.504 3.779 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246681864 1037545674 /nfs/dbraw/zinc/54/56/74/1037545674.db2.gz ABARJUKECPNDEC-JMUQELJHSA-N 1 3 379.504 3.779 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001246950024 1037753885 /nfs/dbraw/zinc/75/38/85/1037753885.db2.gz OMBMAWIIIUWEOZ-AWEZNQCLSA-N 1 3 381.492 3.774 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CC(C)(C)C)C2CCNCC2)c1F ZINC001246950024 1037753899 /nfs/dbraw/zinc/75/38/99/1037753899.db2.gz OMBMAWIIIUWEOZ-AWEZNQCLSA-N 1 3 381.492 3.774 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CC(C)(C)C)C2CCNCC2)c1F ZINC001246950024 1037753915 /nfs/dbraw/zinc/75/39/15/1037753915.db2.gz OMBMAWIIIUWEOZ-AWEZNQCLSA-N 1 3 381.492 3.774 20 5 GHBDHO C[NH+](C)CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001254465733 1040253050 /nfs/dbraw/zinc/25/30/50/1040253050.db2.gz IWAKLNXCIMRWGL-QFIPXVFZSA-N 1 3 382.508 3.846 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC001254581806 1040356940 /nfs/dbraw/zinc/35/69/40/1040356940.db2.gz MYUJIMMQZUMVMY-WENLIBGGSA-N 1 3 377.488 3.562 20 5 GHBDHO O=[N+]([O-])c1ccccc1OCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674954 843421220 /nfs/dbraw/zinc/42/12/20/843421220.db2.gz GSPJDHXLDAKWFH-IBGZPJMESA-N 1 3 387.505 3.679 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482161608 862758226 /nfs/dbraw/zinc/75/82/26/862758226.db2.gz DXRAYPHMLUEXSO-HKUYNNGSSA-N 1 3 390.528 3.722 20 5 GHBDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCOc1cccc([N+](=O)[O-])c1 ZINC000460355208 872952780 /nfs/dbraw/zinc/95/27/80/872952780.db2.gz WLXZGWHGNFEUIF-QZTJIDSGSA-N 1 3 383.492 3.720 20 5 GHBDHO CCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090522330 885437893 /nfs/dbraw/zinc/43/78/93/885437893.db2.gz PMRCRNRCKCJVBE-HBMCJLEFSA-N 1 3 375.513 3.794 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3c(Cl)cncc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170528529 885591578 /nfs/dbraw/zinc/59/15/78/885591578.db2.gz RKZUYQNVPLVNAM-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000819323609 896568620 /nfs/dbraw/zinc/56/86/20/896568620.db2.gz NMSCPUDHDKTVLB-KNQAVFIVSA-N 1 3 383.492 3.520 20 5 GHBDHO Cc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000132677460 903293322 /nfs/dbraw/zinc/29/33/22/903293322.db2.gz MTFCGPVEEKWTRD-QGZVFWFLSA-N 1 3 383.492 3.711 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583514 921162455 /nfs/dbraw/zinc/16/24/55/921162455.db2.gz ZIOLQBOVFSVEGL-SFTDATJTSA-N 1 3 383.492 3.519 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583514 921162459 /nfs/dbraw/zinc/16/24/59/921162459.db2.gz ZIOLQBOVFSVEGL-SFTDATJTSA-N 1 3 383.492 3.519 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185966 930440345 /nfs/dbraw/zinc/44/03/45/930440345.db2.gz NLXDRUGNGGJODM-ONLGVJTGSA-N 1 3 387.524 3.819 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185966 930440353 /nfs/dbraw/zinc/44/03/53/930440353.db2.gz NLXDRUGNGGJODM-ONLGVJTGSA-N 1 3 387.524 3.819 20 5 GHBDHO CC[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246485488 1037432966 /nfs/dbraw/zinc/43/29/66/1037432966.db2.gz UUZGAYUHSKYKRD-ROUUACIJSA-N 1 3 390.531 3.628 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240209 843890225 /nfs/dbraw/zinc/89/02/25/843890225.db2.gz NMDQVTAZIBGSFY-DENIHFKCSA-N 1 3 395.503 3.674 20 5 GHBDHO CC1(C)C[C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240209 843890229 /nfs/dbraw/zinc/89/02/29/843890229.db2.gz NMDQVTAZIBGSFY-DENIHFKCSA-N 1 3 395.503 3.674 20 5 GHBDHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414792603 850496313 /nfs/dbraw/zinc/49/63/13/850496313.db2.gz CLKDDDQUJNSREI-QUCCMNQESA-N 1 3 399.491 3.790 20 5 GHBDHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482157294 862751344 /nfs/dbraw/zinc/75/13/44/862751344.db2.gz OCJPPQFZTUNDGD-YLJYHZDGSA-N 1 3 390.528 3.722 20 5 GHBDHO COc1ccc(C[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319658 881353150 /nfs/dbraw/zinc/35/31/50/881353150.db2.gz XYUOWUGLNXEHCE-INIZCTEOSA-N 1 3 375.513 3.921 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319658 881353198 /nfs/dbraw/zinc/35/31/98/881353198.db2.gz XYUOWUGLNXEHCE-INIZCTEOSA-N 1 3 375.513 3.921 20 5 GHBDHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000537205755 894595155 /nfs/dbraw/zinc/59/51/55/894595155.db2.gz RBTOPKFOTRDOGJ-FQEVSTJZSA-N 1 3 381.476 3.715 20 5 GHBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000570497641 899344859 /nfs/dbraw/zinc/34/48/59/899344859.db2.gz VGCBRFASSUGWOT-SFHVURJKSA-N 1 3 383.492 3.581 20 5 GHBDHO CCC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271574530 910966348 /nfs/dbraw/zinc/96/63/48/910966348.db2.gz ZOPHVLDKLFGFLV-NRFANRHFSA-N 1 3 398.507 3.517 20 5 GHBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(CC3CCCCC3)CC2)n1 ZINC000774159867 911459663 /nfs/dbraw/zinc/45/96/63/911459663.db2.gz QNWFGMMUKZSPBF-WOJBJXKFSA-N 1 3 389.544 3.909 20 5 GHBDHO CC1(C)C[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246483777 1037430733 /nfs/dbraw/zinc/43/07/33/1037430733.db2.gz OJOPJEAGHLLIOV-KRWDZBQOSA-N 1 3 390.531 3.628 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001254581803 1040356190 /nfs/dbraw/zinc/35/61/90/1040356190.db2.gz MYUJIMMQZUMVMY-CVNLYIMZSA-N 1 3 377.488 3.562 20 5 GHBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415101479 839204887 /nfs/dbraw/zinc/20/48/87/839204887.db2.gz BNDDJRYVJNGYQW-PZJWPPBQSA-N 1 3 385.464 3.573 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583511 921161609 /nfs/dbraw/zinc/16/16/09/921161609.db2.gz ZIOLQBOVFSVEGL-NHCUHLMSSA-N 1 3 383.492 3.519 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583511 921161616 /nfs/dbraw/zinc/16/16/16/921161616.db2.gz ZIOLQBOVFSVEGL-NHCUHLMSSA-N 1 3 383.492 3.519 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001172903085 905925067 /nfs/dbraw/zinc/92/50/67/905925067.db2.gz DSFOXRDETJMJKL-OAQYLSRUSA-N 1 3 394.519 3.739 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(Cc2ccccc2)C[C@@H](C)C[NH3+])c1F ZINC001173181505 906261717 /nfs/dbraw/zinc/26/17/17/906261717.db2.gz FDCIDBGQDLDMTM-HOTGVXAUSA-N 1 3 389.471 3.771 20 5 GHBDHO COc1ccc(C[C@H](C)[NH2+]C2(c3ccc(F)cc3)CCNCC2)c([N+](=O)[O-])c1 ZINC001246336931 1037301059 /nfs/dbraw/zinc/30/10/59/1037301059.db2.gz PJFNTUQGJYRRQB-HNNXBMFYSA-N 1 3 387.455 3.542 20 5 GHBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415101470 839205060 /nfs/dbraw/zinc/20/50/60/839205060.db2.gz BNDDJRYVJNGYQW-FPOVZHCZSA-N 1 3 385.464 3.573 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415135459 839250893 /nfs/dbraw/zinc/25/08/93/839250893.db2.gz WRNDLNPBQOTDTP-WIYYLYMNSA-N 1 3 385.464 3.573 20 5 GHBDHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245508469 856905148 /nfs/dbraw/zinc/90/51/48/856905148.db2.gz RYYWDYXAZGXSRK-ULQDDVLXSA-N 1 3 379.501 3.534 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CNC2 ZINC001170333668 881378950 /nfs/dbraw/zinc/37/89/50/881378950.db2.gz QZMVHXMCYDAKPA-OWZKRDHZSA-N 1 3 378.476 3.806 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CNC2 ZINC001170333668 881378971 /nfs/dbraw/zinc/37/89/71/881378971.db2.gz QZMVHXMCYDAKPA-OWZKRDHZSA-N 1 3 378.476 3.806 20 5 GHBDHO Cc1cccc([N+](=O)[O-])c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528956 885580684 /nfs/dbraw/zinc/58/06/84/885580684.db2.gz YEUDUBSYSMWKJG-UHFFFAOYSA-N 1 3 378.476 3.813 20 5 GHBDHO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000781424788 930840183 /nfs/dbraw/zinc/84/01/83/930840183.db2.gz DFORYHOVZJSMGB-MSOLQXFVSA-N 1 3 386.540 3.806 20 5 GHBDHO COc1ccccc1C1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCNCC1 ZINC001246376020 1037332239 /nfs/dbraw/zinc/33/22/39/1037332239.db2.gz JZKIBPTXMGSTKC-IBGZPJMESA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3cccc(Cl)c3)CCNCC1)C2 ZINC001246431463 1037393306 /nfs/dbraw/zinc/39/33/06/1037393306.db2.gz ZHPFHBIYSLGYRA-LJQANCHMSA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246431463 1037393317 /nfs/dbraw/zinc/39/33/17/1037393317.db2.gz ZHPFHBIYSLGYRA-LJQANCHMSA-N 1 3 385.895 3.670 20 5 GHBDHO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CC[C@@H]1N ZINC001236414677 1041706557 /nfs/dbraw/zinc/70/65/57/1041706557.db2.gz LWJPZFKWMVQDDH-PMACEKPBSA-N 1 3 382.891 3.969 20 5 GHBDHO COC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CC[C@@H]1N ZINC001236414677 1041706565 /nfs/dbraw/zinc/70/65/65/1041706565.db2.gz LWJPZFKWMVQDDH-PMACEKPBSA-N 1 3 382.891 3.969 20 5 GHBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000513786498 847576193 /nfs/dbraw/zinc/57/61/93/847576193.db2.gz IATSJNSAVPBHIE-RCLSDMTESA-N 1 3 389.540 3.785 20 5 GHBDHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414930161 852403649 /nfs/dbraw/zinc/40/36/49/852403649.db2.gz SNLJHFXUCNTAOQ-ZWKOTPCHSA-N 1 3 385.464 3.542 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245906002 857195729 /nfs/dbraw/zinc/19/57/29/857195729.db2.gz FHGDMUHASVDLIT-VXKWHMMOSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245906002 857195733 /nfs/dbraw/zinc/19/57/33/857195733.db2.gz FHGDMUHASVDLIT-VXKWHMMOSA-N 1 3 383.492 3.511 20 5 GHBDHO O=[N+]([O-])c1cccc(-c2nc(CNCC3CC[NH+](CC4CC4)CC3)cs2)c1 ZINC000595001360 858362980 /nfs/dbraw/zinc/36/29/80/858362980.db2.gz VAGPMIVHMUQNDP-UHFFFAOYSA-N 1 3 386.521 3.930 20 5 GHBDHO COc1ccc(-c2ccc(CN3CCCC34CC[NH+](C)CC4)o2)c([N+](=O)[O-])c1 ZINC000616141628 878575561 /nfs/dbraw/zinc/57/55/61/878575561.db2.gz CUIBUXBKPDQKLC-UHFFFAOYSA-N 1 3 385.464 3.924 20 5 GHBDHO CC1CC[NH+](Cc2ccccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818956754 896293540 /nfs/dbraw/zinc/29/35/40/896293540.db2.gz ONMKCNIACAOXGP-JOCHJYFZSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000575059037 858508868 /nfs/dbraw/zinc/50/88/68/858508868.db2.gz CPEDDFFAMLLOJX-HZPDHXFCSA-N 1 3 379.464 3.663 20 5 GHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906860 858714309 /nfs/dbraw/zinc/71/43/09/858714309.db2.gz AUGDCFMMCZGNSB-OAHLLOKOSA-N 1 3 383.496 3.726 20 5 GHBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906860 858714318 /nfs/dbraw/zinc/71/43/18/858714318.db2.gz AUGDCFMMCZGNSB-OAHLLOKOSA-N 1 3 383.496 3.726 20 5 GHBDHO O=[N+]([O-])c1ccc(CN2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000543903184 858863702 /nfs/dbraw/zinc/86/37/02/858863702.db2.gz BJVMEBWJNWSQCL-UHFFFAOYSA-N 1 3 381.904 3.573 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565389352 895585958 /nfs/dbraw/zinc/58/59/58/895585958.db2.gz BKVLJPCLWFNLLH-QZTJIDSGSA-N 1 3 375.513 3.615 20 5 GHBDHO Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565389352 895585964 /nfs/dbraw/zinc/58/59/64/895585964.db2.gz BKVLJPCLWFNLLH-QZTJIDSGSA-N 1 3 375.513 3.615 20 5 GHBDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960108 896267287 /nfs/dbraw/zinc/26/72/87/896267287.db2.gz XNFBMIZDEUTVIJ-HTAPYJJXSA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960108 896267297 /nfs/dbraw/zinc/26/72/97/896267297.db2.gz XNFBMIZDEUTVIJ-HTAPYJJXSA-N 1 3 383.492 3.650 20 5 GHBDHO CN(C)CCN(C(=O)c1c2ccccc2cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001161452997 1035233419 /nfs/dbraw/zinc/23/34/19/1035233419.db2.gz VVMSVZSEJAUJLM-HXUWFJFHSA-N 1 3 375.516 3.749 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(Cc3ccccc3)CCNCC1)CC2 ZINC001246470925 1037423034 /nfs/dbraw/zinc/42/30/34/1037423034.db2.gz ZVSVKXWGDQCBNE-NRFANRHFSA-N 1 3 379.504 3.797 20 5 GHBDHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001319764189 1055452497 /nfs/dbraw/zinc/45/24/97/1055452497.db2.gz YWROEWSVUCELSY-QFIPXVFZSA-N 1 3 382.508 3.583 20 5 GHBDHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414928052 838982592 /nfs/dbraw/zinc/98/25/92/838982592.db2.gz PUXXYRBMRHCOEK-MSOLQXFVSA-N 1 3 385.464 3.542 20 5 GHBDHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000303204667 861583338 /nfs/dbraw/zinc/58/33/38/861583338.db2.gz PGAPLLIVPROWSN-UHFFFAOYSA-N 1 3 383.492 3.818 20 5 GHBDHO C[N@H+](Cc1ccccc1)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000303204667 861583348 /nfs/dbraw/zinc/58/33/48/861583348.db2.gz PGAPLLIVPROWSN-UHFFFAOYSA-N 1 3 383.492 3.818 20 5 GHBDHO O=[N+]([O-])c1ccccc1OCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536490797 856241896 /nfs/dbraw/zinc/24/18/96/856241896.db2.gz IIYSXZUGGQURQB-UHFFFAOYSA-N 1 3 395.503 3.962 20 5 GHBDHO O=[N+]([O-])c1ccccc1OCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536490797 856241910 /nfs/dbraw/zinc/24/19/10/856241910.db2.gz IIYSXZUGGQURQB-UHFFFAOYSA-N 1 3 395.503 3.962 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(CC3CCCCC3)CC2)n1 ZINC000774159856 911459959 /nfs/dbraw/zinc/45/99/59/911459959.db2.gz QNWFGMMUKZSPBF-UXHICEINSA-N 1 3 389.544 3.909 20 5 GHBDHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284294822 911816760 /nfs/dbraw/zinc/81/67/60/911816760.db2.gz UNYIWBKMAQOQGP-OAHLLOKOSA-N 1 3 384.480 3.501 20 5 GHBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160739814 1035050460 /nfs/dbraw/zinc/05/04/60/1035050460.db2.gz WVPYSFLUWOSWSU-QHCPKHFHSA-N 1 3 387.527 3.826 20 5 GHBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160739814 1035050470 /nfs/dbraw/zinc/05/04/70/1035050470.db2.gz WVPYSFLUWOSWSU-QHCPKHFHSA-N 1 3 387.527 3.826 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CC3CCC3)CCNCC2)c1F ZINC001246446065 1037407834 /nfs/dbraw/zinc/40/78/34/1037407834.db2.gz KLQGGROUUXYTPO-AWEZNQCLSA-N 1 3 379.476 3.576 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2(CC3CCC3)CC[NH2+]CC2)c1F ZINC001246446065 1037407841 /nfs/dbraw/zinc/40/78/41/1037407841.db2.gz KLQGGROUUXYTPO-AWEZNQCLSA-N 1 3 379.476 3.576 20 5 GHBDHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 ZINC001355372351 1057136016 /nfs/dbraw/zinc/13/60/16/1057136016.db2.gz BBLJRIAJQGPFQH-XYJFISCASA-N 1 3 386.521 3.880 20 5 GHBDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482140547 842032246 /nfs/dbraw/zinc/03/22/46/842032246.db2.gz WPZYJNWCZJNVNC-HKUYNNGSSA-N 1 3 390.528 3.722 20 5 GHBDHO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430956284 843252485 /nfs/dbraw/zinc/25/24/85/843252485.db2.gz NYKZDSUSZVZRQI-GOSISDBHSA-N 1 3 388.556 3.784 20 5 GHBDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421374514 846185416 /nfs/dbraw/zinc/18/54/16/846185416.db2.gz NSWZFAOUWRSHAD-UHFFFAOYSA-N 1 3 388.556 3.710 20 5 GHBDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421374514 846185421 /nfs/dbraw/zinc/18/54/21/846185421.db2.gz NSWZFAOUWRSHAD-UHFFFAOYSA-N 1 3 388.556 3.710 20 5 GHBDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000421374514 846185424 /nfs/dbraw/zinc/18/54/24/846185424.db2.gz NSWZFAOUWRSHAD-UHFFFAOYSA-N 1 3 388.556 3.710 20 5 GHBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[NH2+]Cc3cccnc3)s2)cc1 ZINC000414887073 852043021 /nfs/dbraw/zinc/04/30/21/852043021.db2.gz WRYVXVGJIKOCPP-UHFFFAOYSA-N 1 3 382.489 3.988 20 5 GHBDHO CCC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432680 856173986 /nfs/dbraw/zinc/17/39/86/856173986.db2.gz CPDKOLPGKHKOKJ-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO CCC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432680 856173998 /nfs/dbraw/zinc/17/39/98/856173998.db2.gz CPDKOLPGKHKOKJ-YADHBBJMSA-N 1 3 383.492 3.792 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066103 858369138 /nfs/dbraw/zinc/36/91/38/858369138.db2.gz BYGIPOOQYQWPQF-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066103 858369148 /nfs/dbraw/zinc/36/91/48/858369148.db2.gz BYGIPOOQYQWPQF-GGAORHGYSA-N 1 3 395.503 3.719 20 5 GHBDHO C[C@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000575059036 858508714 /nfs/dbraw/zinc/50/87/14/858508714.db2.gz CPEDDFFAMLLOJX-HOTGVXAUSA-N 1 3 379.464 3.663 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925852 887108055 /nfs/dbraw/zinc/10/80/55/887108055.db2.gz HSSPLRJHQCCJNB-QFIPXVFZSA-N 1 3 395.503 3.616 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925852 887108065 /nfs/dbraw/zinc/10/80/65/887108065.db2.gz HSSPLRJHQCCJNB-QFIPXVFZSA-N 1 3 395.503 3.616 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(C3CC[NH+](C)CC3)CC2)c1F ZINC001173189851 906270846 /nfs/dbraw/zinc/27/08/46/906270846.db2.gz NGMOJEBMJCLIQG-HNNXBMFYSA-N 1 3 393.503 3.727 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318306 /nfs/dbraw/zinc/31/83/06/906318306.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 1 3 379.504 3.980 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318314 /nfs/dbraw/zinc/31/83/14/906318314.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 1 3 379.504 3.980 20 5 GHBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271123867 910788752 /nfs/dbraw/zinc/78/87/52/910788752.db2.gz JZZXIZYHLZQJGQ-DLBZAZTESA-N 1 3 393.553 3.556 20 5 GHBDHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414928066 838982153 /nfs/dbraw/zinc/98/21/53/838982153.db2.gz PUXXYRBMRHCOEK-ROUUACIJSA-N 1 3 385.464 3.542 20 5 GHBDHO CC1CC[NH+](Cc2ccccc2CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818958186 896296484 /nfs/dbraw/zinc/29/64/84/896296484.db2.gz YYPXZLCDAWEUSU-JOCHJYFZSA-N 1 3 383.492 3.650 20 5 GHBDHO CC1CCN(CCC[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173006578 906080374 /nfs/dbraw/zinc/08/03/74/906080374.db2.gz WTGRAKWOWRXCLX-UHFFFAOYSA-N 1 3 396.482 3.553 20 5 GHBDHO Cc1noc(C)c1CN(C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180011458 909881979 /nfs/dbraw/zinc/88/19/79/909881979.db2.gz NFUQHBLMMMKOBA-UHFFFAOYSA-N 1 3 386.496 3.586 20 5 GHBDHO CC[NH+](CC)CCOC1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470176198 930433711 /nfs/dbraw/zinc/43/37/11/930433711.db2.gz JBCJJTURAWYPHU-OBGWFSINSA-N 1 3 375.513 3.821 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185967 930440493 /nfs/dbraw/zinc/44/04/93/930440493.db2.gz NLXDRUGNGGJODM-PEJLPUCESA-N 1 3 387.524 3.819 20 5 GHBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185967 930440498 /nfs/dbraw/zinc/44/04/98/930440498.db2.gz NLXDRUGNGGJODM-PEJLPUCESA-N 1 3 387.524 3.819 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)CNC2 ZINC001164492929 1026530403 /nfs/dbraw/zinc/53/04/03/1026530403.db2.gz PEFHPEKJYXWLQE-LSTHTHJFSA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CNC2 ZINC001164492929 1026530411 /nfs/dbraw/zinc/53/04/11/1026530411.db2.gz PEFHPEKJYXWLQE-LSTHTHJFSA-N 1 3 378.476 3.521 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCN(Cc4ccoc4)C3)CC1)C2 ZINC001254595004 1040367705 /nfs/dbraw/zinc/36/77/05/1040367705.db2.gz HWGZATSNIGXGQN-NRFANRHFSA-N 1 3 381.476 3.643 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000548930874 836211403 /nfs/dbraw/zinc/21/14/03/836211403.db2.gz KOTOYWJKGBZKBU-OAQYLSRUSA-N 1 3 383.492 3.864 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000548930874 836211413 /nfs/dbraw/zinc/21/14/13/836211413.db2.gz KOTOYWJKGBZKBU-OAQYLSRUSA-N 1 3 383.492 3.864 20 5 GHBDHO C[NH+]1CCC(N2CCC(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000123036382 855308214 /nfs/dbraw/zinc/30/82/14/855308214.db2.gz VKGPWXMNXYWIHC-UHFFFAOYSA-N 1 3 387.311 3.872 20 5 GHBDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000460355512 872935073 /nfs/dbraw/zinc/93/50/73/872935073.db2.gz XNMRYWZFMPAQFG-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000460355512 872935088 /nfs/dbraw/zinc/93/50/88/872935088.db2.gz XNMRYWZFMPAQFG-OEWRPIJISA-N 1 3 383.492 3.720 20 5 GHBDHO O=[N+]([O-])c1sc(CNC2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC001184315514 913122522 /nfs/dbraw/zinc/12/25/22/913122522.db2.gz WXVFZDHMUOMETE-UHFFFAOYSA-N 1 3 397.298 3.572 20 5 GHBDHO COc1ccc(C[C@@H](C)[NH2+]C2(c3cccc(F)c3)CCNCC2)c([N+](=O)[O-])c1 ZINC001246435161 1037397317 /nfs/dbraw/zinc/39/73/17/1037397317.db2.gz FLRDIPJFMIKDIJ-OAHLLOKOSA-N 1 3 387.455 3.542 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000447563087 871872033 /nfs/dbraw/zinc/87/20/33/871872033.db2.gz OBDQJQCTKMABMV-OALUTQOASA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000447563087 871872057 /nfs/dbraw/zinc/87/20/57/871872057.db2.gz OBDQJQCTKMABMV-OALUTQOASA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000853120661 878829156 /nfs/dbraw/zinc/82/91/56/878829156.db2.gz NWOZGNHTPQVNOT-UNMCSNQZSA-N 1 3 395.503 3.520 20 5 GHBDHO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738612 887772301 /nfs/dbraw/zinc/77/23/01/887772301.db2.gz BOHPUDYXGHRCOO-UHFFFAOYSA-N 1 3 393.491 3.689 20 5 GHBDHO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000819323612 896567693 /nfs/dbraw/zinc/56/76/93/896567693.db2.gz NMSCPUDHDKTVLB-SIKLNZKXSA-N 1 3 383.492 3.520 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(CC3CCCCC3)CC2)n1 ZINC000774159851 911459766 /nfs/dbraw/zinc/45/97/66/911459766.db2.gz QNWFGMMUKZSPBF-PMACEKPBSA-N 1 3 389.544 3.909 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCNCC1)CC2 ZINC001246393045 1037354262 /nfs/dbraw/zinc/35/42/62/1037354262.db2.gz STQBBZHBWCUBDQ-OAQYLSRUSA-N 1 3 397.494 3.936 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccc(Cl)cc3)CCNCC1)C2 ZINC001246395091 1037357221 /nfs/dbraw/zinc/35/72/21/1037357221.db2.gz VZEMXLJHXDYWSW-LJQANCHMSA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246395091 1037357238 /nfs/dbraw/zinc/35/72/38/1037357238.db2.gz VZEMXLJHXDYWSW-LJQANCHMSA-N 1 3 385.895 3.670 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+](Cc3ccccc3)C3CCNCC3)CC2)cc1 ZINC001246911166 1037721986 /nfs/dbraw/zinc/72/19/86/1037721986.db2.gz AARGDNFOHWUMHF-UHFFFAOYSA-N 1 3 394.519 3.818 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+](Cc3ccccc3)C3CCNCC3)CC2)cc1 ZINC001246911166 1037722011 /nfs/dbraw/zinc/72/20/11/1037722011.db2.gz AARGDNFOHWUMHF-UHFFFAOYSA-N 1 3 394.519 3.818 20 5 GHBDHO COc1ccc(C[C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881391258 /nfs/dbraw/zinc/39/12/58/881391258.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 1 3 397.519 3.988 20 5 GHBDHO COc1ccc(C[C@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881391331 /nfs/dbraw/zinc/39/13/31/881391331.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 1 3 397.519 3.988 20 5 GHBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057483 871142745 /nfs/dbraw/zinc/14/27/45/871142745.db2.gz VXXXPQHEZXLBDV-YJBOKZPZSA-N 1 3 385.430 3.705 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000447563086 871871540 /nfs/dbraw/zinc/87/15/40/871871540.db2.gz OBDQJQCTKMABMV-MOPGFXCFSA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000447563086 871871556 /nfs/dbraw/zinc/87/15/56/871871556.db2.gz OBDQJQCTKMABMV-MOPGFXCFSA-N 1 3 375.517 3.662 20 5 GHBDHO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 ZINC000853120778 878828730 /nfs/dbraw/zinc/82/87/30/878828730.db2.gz QFWMMWYUEFYWSA-IRLDBZIGSA-N 1 3 395.503 3.520 20 5 GHBDHO NC[C@H]1C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001206469510 1033858796 /nfs/dbraw/zinc/85/87/96/1033858796.db2.gz QNANQPZVBSENCF-RCDICMHDSA-N 1 3 384.483 3.707 20 5 GHBDHO NC[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001206469510 1033858805 /nfs/dbraw/zinc/85/88/05/1033858805.db2.gz QNANQPZVBSENCF-RCDICMHDSA-N 1 3 384.483 3.707 20 5 GHBDHO NC[C@H]1C[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@@H]1O ZINC001206520199 1033888654 /nfs/dbraw/zinc/88/86/54/1033888654.db2.gz QNANQPZVBSENCF-FPTDNZKUSA-N 1 3 384.483 3.707 20 5 GHBDHO NC[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@@H]1O ZINC001206520199 1033888665 /nfs/dbraw/zinc/88/86/65/1033888665.db2.gz QNANQPZVBSENCF-FPTDNZKUSA-N 1 3 384.483 3.707 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(Cc3cccc(F)c3)CCNCC1)CC2 ZINC001246449633 1037410125 /nfs/dbraw/zinc/41/01/25/1037410125.db2.gz ANLIKSVEPUDJHW-OAQYLSRUSA-N 1 3 397.494 3.936 20 5 GHBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906857 1050154858 /nfs/dbraw/zinc/15/48/58/1050154858.db2.gz WBYDCHGRDSYOGV-OXJNMPFZSA-N 1 3 388.512 3.699 20 5 GHBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906857 1050154864 /nfs/dbraw/zinc/15/48/64/1050154864.db2.gz WBYDCHGRDSYOGV-OXJNMPFZSA-N 1 3 388.512 3.699 20 5 GHBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001326144767 1057422431 /nfs/dbraw/zinc/42/24/31/1057422431.db2.gz VGDBODFTNLMMMR-CPNJWEJPSA-N 1 3 394.519 3.535 20 5 GHBDHO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CN3CCCC[C@@H]3c3cc[nH]n3)CC2)cc1 ZINC001474516179 1074443821 /nfs/dbraw/zinc/44/38/21/1074443821.db2.gz AKFHZKGBULYXIN-JOCHJYFZSA-N 1 3 397.523 3.800 20 5 GHBDHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1 ZINC000415123108 839244423 /nfs/dbraw/zinc/24/44/23/839244423.db2.gz KYLVHSCPOALKSI-UWJYYQICSA-N 1 3 385.464 3.573 20 5 GHBDHO COc1cccc([C@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)c1 ZINC000891502412 842211079 /nfs/dbraw/zinc/21/10/79/842211079.db2.gz WMIGYOLMLBPEPZ-NRFANRHFSA-N 1 3 380.448 3.597 20 5 GHBDHO O=[N+]([O-])c1cccc(OCCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432668837 843381921 /nfs/dbraw/zinc/38/19/21/843381921.db2.gz KVLSAHRYWHOCMH-LJQANCHMSA-N 1 3 387.505 3.679 20 5 GHBDHO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389294 856902269 /nfs/dbraw/zinc/90/22/69/856902269.db2.gz NCYIXRQJHYZPJE-HZPDHXFCSA-N 1 3 386.471 3.898 20 5 GHBDHO C[NH+](C)CCOc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000611273945 859676672 /nfs/dbraw/zinc/67/66/72/859676672.db2.gz HFIXMSUXHHBSND-UHFFFAOYSA-N 1 3 399.491 3.579 20 5 GHBDHO [NH3+]C1CCN(CCc2cn(-c3c(Cl)nccc3[N+](=O)[O-])c3ccccc23)CC1 ZINC001170524518 885446877 /nfs/dbraw/zinc/44/68/77/885446877.db2.gz AIZBBWRYNYGSHU-UHFFFAOYSA-N 1 3 399.882 3.553 20 5 GHBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227871 907161569 /nfs/dbraw/zinc/16/15/69/907161569.db2.gz KJDPDVZSPSZENT-YLJYHZDGSA-N 1 3 383.492 3.711 20 5 GHBDHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227871 907161576 /nfs/dbraw/zinc/16/15/76/907161576.db2.gz KJDPDVZSPSZENT-YLJYHZDGSA-N 1 3 383.492 3.711 20 5 GHBDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632195 1037518350 /nfs/dbraw/zinc/51/83/50/1037518350.db2.gz UVZRGJAUHNMDBV-QGZVFWFLSA-N 1 3 395.503 3.671 20 5 GHBDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632195 1037518351 /nfs/dbraw/zinc/51/83/51/1037518351.db2.gz UVZRGJAUHNMDBV-QGZVFWFLSA-N 1 3 395.503 3.671 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@H+](C[C@@H]3CCCNC3)C3CCCC3)CC2)cc1 ZINC001246933937 1037738016 /nfs/dbraw/zinc/73/80/16/1037738016.db2.gz LKHQHYJPWNZMKU-GOSISDBHSA-N 1 3 386.540 3.808 20 5 GHBDHO O=[N+]([O-])c1ccc(N2CCC([N@@H+](C[C@@H]3CCCNC3)C3CCCC3)CC2)cc1 ZINC001246933937 1037738039 /nfs/dbraw/zinc/73/80/39/1037738039.db2.gz LKHQHYJPWNZMKU-GOSISDBHSA-N 1 3 386.540 3.808 20 5 GHBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415135453 839250848 /nfs/dbraw/zinc/25/08/48/839250848.db2.gz WRNDLNPBQOTDTP-NQIIRXRSSA-N 1 3 385.464 3.573 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCCC2 ZINC000417311657 840708163 /nfs/dbraw/zinc/70/81/63/840708163.db2.gz POVZFTSURBCCIX-BHIFYINESA-N 1 3 387.524 3.720 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066105 858369384 /nfs/dbraw/zinc/36/93/84/858369384.db2.gz BYGIPOOQYQWPQF-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066105 858369386 /nfs/dbraw/zinc/36/93/86/858369386.db2.gz BYGIPOOQYQWPQF-JTHBVZDNSA-N 1 3 395.503 3.719 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881453048 /nfs/dbraw/zinc/45/30/48/881453048.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 1 3 395.503 3.598 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881453459 /nfs/dbraw/zinc/45/34/59/881453459.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 1 3 395.503 3.598 20 5 GHBDHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578361 894016165 /nfs/dbraw/zinc/01/61/65/894016165.db2.gz MTHRJCKPXAIMHW-MRXNPFEDSA-N 1 3 384.480 3.502 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224007 896517695 /nfs/dbraw/zinc/51/76/95/896517695.db2.gz SYKGJHYTVIIIRZ-KZKAQZJJSA-N 1 3 395.503 3.519 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000819224007 896517709 /nfs/dbraw/zinc/51/77/09/896517709.db2.gz SYKGJHYTVIIIRZ-KZKAQZJJSA-N 1 3 395.503 3.519 20 5 GHBDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583512 921161950 /nfs/dbraw/zinc/16/19/50/921161950.db2.gz ZIOLQBOVFSVEGL-RTWAWAEBSA-N 1 3 383.492 3.519 20 5 GHBDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583512 921161963 /nfs/dbraw/zinc/16/19/63/921161963.db2.gz ZIOLQBOVFSVEGL-RTWAWAEBSA-N 1 3 383.492 3.519 20 5 GHBDHO CC[C@H]1C[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CCN1 ZINC001246485489 1037432061 /nfs/dbraw/zinc/43/20/61/1037432061.db2.gz UUZGAYUHSKYKRD-ZWKOTPCHSA-N 1 3 390.531 3.628 20 5 GHBDHO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CN3CCCC[C@H]3c3cc[nH]n3)CC2)cc1 ZINC001474516180 1074443858 /nfs/dbraw/zinc/44/38/58/1074443858.db2.gz AKFHZKGBULYXIN-QFIPXVFZSA-N 1 3 397.523 3.800 20 5 GHBDHO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000491591524 861648541 /nfs/dbraw/zinc/64/85/41/861648541.db2.gz MCBRZTFNWJPFLJ-KRWDZBQOSA-N 1 3 393.491 3.735 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925850 887108995 /nfs/dbraw/zinc/10/89/95/887108995.db2.gz HSSPLRJHQCCJNB-JOCHJYFZSA-N 1 3 395.503 3.616 20 5 GHBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762925850 887109009 /nfs/dbraw/zinc/10/90/09/887109009.db2.gz HSSPLRJHQCCJNB-JOCHJYFZSA-N 1 3 395.503 3.616 20 5 GHBDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959278 896297985 /nfs/dbraw/zinc/29/79/85/896297985.db2.gz HIPZAFXJMRSWGT-JTSKRJEESA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959278 896298001 /nfs/dbraw/zinc/29/80/01/896298001.db2.gz HIPZAFXJMRSWGT-JTSKRJEESA-N 1 3 383.492 3.650 20 5 GHBDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012101 906090369 /nfs/dbraw/zinc/09/03/69/906090369.db2.gz NWFRQAPXLYTABY-OAHLLOKOSA-N 1 3 396.482 3.696 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318824 /nfs/dbraw/zinc/31/88/24/906318824.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 1 3 379.504 3.980 20 5 GHBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318837 /nfs/dbraw/zinc/31/88/37/906318837.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 1 3 379.504 3.980 20 5 GHBDHO CC[N@H+](CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736244 908970256 /nfs/dbraw/zinc/97/02/56/908970256.db2.gz VISWIOJNFQSFCT-NRFANRHFSA-N 1 3 377.529 3.708 20 5 GHBDHO CC[N@@H+](CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736244 908970267 /nfs/dbraw/zinc/97/02/67/908970267.db2.gz VISWIOJNFQSFCT-NRFANRHFSA-N 1 3 377.529 3.708 20 5 GHBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001246663404 1037533602 /nfs/dbraw/zinc/53/36/02/1037533602.db2.gz JZZICYBYZHFYMC-PBHICJAKSA-N 1 3 379.476 3.528 20 5 GHBDHO COc1ccc(C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936755 1037743005 /nfs/dbraw/zinc/74/30/05/1037743005.db2.gz JNIKNDPZRPLXAV-DLBZAZTESA-N 1 3 375.513 3.779 20 5 GHBDHO COc1ccc(C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936755 1037743024 /nfs/dbraw/zinc/74/30/24/1037743024.db2.gz JNIKNDPZRPLXAV-DLBZAZTESA-N 1 3 375.513 3.779 20 5 GHBDHO CN1CCC([NH+]2CCC(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)CC1 ZINC001473968050 1074220729 /nfs/dbraw/zinc/22/07/29/1074220729.db2.gz IJZCGCZIHUXGNI-UHFFFAOYSA-N 1 3 398.507 3.503 20 5 GHBDHO