smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775695 184542333 /nfs/dbraw/zinc/54/23/33/184542333.db2.gz QMZIWBCTZMRCMF-NWDGAFQWSA-N 1 0 250.342 3.682 10 5 CHBERO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208937 171073515 /nfs/dbraw/zinc/07/35/15/171073515.db2.gz IPHXRGAGQVDQLC-KCXAZCMYSA-N 1 0 292.379 3.593 10 5 CHBERO C[C@H]([NH2+]Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000020526215 171239226 /nfs/dbraw/zinc/23/92/26/171239226.db2.gz NZFFRVDFNHVNAT-JTQLQIEISA-N 1 0 262.334 3.507 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000035286845 172104909 /nfs/dbraw/zinc/10/49/09/172104909.db2.gz ZMEJBVKMZLKWNY-SECBINFHSA-N 1 0 292.335 3.905 10 5 CHBERO C[C@H]([NH3+])c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000035286847 172105146 /nfs/dbraw/zinc/10/51/46/172105146.db2.gz PRXDMKCHCLVCDX-JTQLQIEISA-N 1 0 274.345 3.766 10 5 CHBERO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029374 174019858 /nfs/dbraw/zinc/01/98/58/174019858.db2.gz DEYQKSAQUZWSMN-NSHDSACASA-N 1 0 297.786 3.535 10 5 CHBERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205777 176079640 /nfs/dbraw/zinc/07/96/40/176079640.db2.gz RAXHZAWITMDASI-GLQYFDAESA-N 1 0 262.353 3.824 10 5 CHBERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000045628666 330347314 /nfs/dbraw/zinc/34/73/14/330347314.db2.gz FVWXBDHJBRDLAO-QWHCGFSZSA-N 1 0 260.337 3.602 10 5 CHBERO CC(C)(C)[C@@H]([NH3+])CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444341 518922062 /nfs/dbraw/zinc/92/20/62/518922062.db2.gz QZHAVNRGJNPSAB-LBPRGKRZSA-N 1 0 270.760 3.554 10 5 CHBERO CC[NH2+][C@H](C)[C@@H](CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104310607 185962895 /nfs/dbraw/zinc/96/28/95/185962895.db2.gz VJSOOIWMOXJJRX-MNOVXSKESA-N 1 0 284.787 3.815 10 5 CHBERO C[C@H]([NH3+])c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286615 172104615 /nfs/dbraw/zinc/10/46/15/172104615.db2.gz LWRJZBFAFDVZMZ-JTQLQIEISA-N 1 0 274.345 3.766 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043473040 175053790 /nfs/dbraw/zinc/05/37/90/175053790.db2.gz MUXIQLBIIXCWGF-SECBINFHSA-N 1 0 276.267 3.546 10 5 CHBERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172914941 261154832 /nfs/dbraw/zinc/15/48/32/261154832.db2.gz QGHZKAKEDHNLLR-BLLLJJGKSA-N 1 0 298.342 3.769 10 5 CHBERO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000385923781 336161619 /nfs/dbraw/zinc/16/16/19/336161619.db2.gz JNBKABPORCEWGE-LWWSYDQCSA-N 1 0 262.353 3.680 10 5 CHBERO CC[N+](CC)(CC)Cc1cc(Cl)nc(Cl)c1 ZINC000000163058 717087617 /nfs/dbraw/zinc/08/76/17/717087617.db2.gz ZBDGITDXBPDVDV-UHFFFAOYSA-N 1 0 262.204 3.765 10 5 CHBERO CC[NH2+][C@@H]1CCC[C@H]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104312059 185963577 /nfs/dbraw/zinc/96/35/77/185963577.db2.gz UUJWAXCVMVOVRJ-GXFFZTMASA-N 1 0 282.771 3.569 10 5 CHBERO C[C@@H]([NH3+])c1c(F)cccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286608 172104739 /nfs/dbraw/zinc/10/47/39/172104739.db2.gz UPVTWDFCCZAMLV-SECBINFHSA-N 1 0 292.335 3.905 10 5 CHBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1CCCCCC1 ZINC000035308213 172121521 /nfs/dbraw/zinc/12/15/21/172121521.db2.gz JELUTLJJGOVUGR-UHFFFAOYSA-N 1 0 266.316 3.546 10 5 CHBERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000044674739 330331783 /nfs/dbraw/zinc/33/17/83/330331783.db2.gz SPORMIBUECNTQT-JLZZUVOBSA-N 1 0 282.343 3.802 10 5 CHBERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230144317 333314799 /nfs/dbraw/zinc/31/47/99/333314799.db2.gz MHKODQPQQYMERK-NOZJJQNGSA-N 1 0 268.744 3.526 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000251256869 334358948 /nfs/dbraw/zinc/35/89/48/334358948.db2.gz KIDHNYGTDHTDTG-RCBQFDQVSA-N 1 0 282.343 3.802 10 5 CHBERO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000385923778 336161667 /nfs/dbraw/zinc/16/16/67/336161667.db2.gz JNBKABPORCEWGE-IDTSFGKNSA-N 1 0 262.353 3.680 10 5 CHBERO C[C@@H](C[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000104432775 186000241 /nfs/dbraw/zinc/00/02/41/186000241.db2.gz LAFZYUIOJJGKDN-AAEUAGOBSA-N 1 0 264.369 3.537 10 5 CHBERO CCC(CC)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000104444500 186004408 /nfs/dbraw/zinc/00/44/08/186004408.db2.gz SDNLCPKDNINFCT-GFCCVEGCSA-N 1 0 264.369 3.552 10 5 CHBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020148037 171035342 /nfs/dbraw/zinc/03/53/42/171035342.db2.gz QMUVDJSYNRXBNP-LLVKDONJSA-N 1 0 274.295 3.585 10 5 CHBERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000038004914 173966560 /nfs/dbraw/zinc/96/65/60/173966560.db2.gz ZGTQLLWNBGISGS-KBPBESRZSA-N 1 0 278.396 3.860 10 5 CHBERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222153648 262288477 /nfs/dbraw/zinc/28/84/77/262288477.db2.gz GLBANSMWBGYTQW-IACUBPJLSA-N 1 0 262.353 3.742 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000044674958 330331820 /nfs/dbraw/zinc/33/18/20/330331820.db2.gz RWLUEYIEXZFLID-VUCTXSBTSA-N 1 0 282.343 3.802 10 5 CHBERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000045628667 330347295 /nfs/dbraw/zinc/34/72/95/330347295.db2.gz FVWXBDHJBRDLAO-CHWSQXEVSA-N 1 0 260.337 3.602 10 5 CHBERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000385923775 336161680 /nfs/dbraw/zinc/16/16/80/336161680.db2.gz JNBKABPORCEWGE-HKCMKHECSA-N 1 0 262.353 3.680 10 5 CHBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCCCC1 ZINC000050442996 527332965 /nfs/dbraw/zinc/33/29/65/527332965.db2.gz MSAGVFSQQXUXEZ-UHFFFAOYSA-N 1 0 268.744 3.671 10 5 CHBERO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000104320022 185967731 /nfs/dbraw/zinc/96/77/31/185967731.db2.gz IBNPNJDEZDXNDC-LLVKDONJSA-N 1 0 280.755 3.694 10 5 CHBERO CCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444460 519986241 /nfs/dbraw/zinc/98/62/41/519986241.db2.gz DIDSQZPXMZBWIA-MNOVXSKESA-N 1 0 284.787 3.815 10 5 CHBERO CC[NH2+][C@H](C)[C@H](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062726892 520176194 /nfs/dbraw/zinc/17/61/94/520176194.db2.gz KWJVDAKNZMCIPA-CHWSQXEVSA-N 1 0 264.369 3.552 10 5 CHBERO Cc1cc(OCC[N+]2(C)CCCCC2)nc2ccccc12 ZINC000000193728 567925008 /nfs/dbraw/zinc/92/50/08/567925008.db2.gz JYGPFQWILDYGRX-UHFFFAOYSA-N 1 0 285.411 3.553 10 5 CHBERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019231615 170757309 /nfs/dbraw/zinc/75/73/09/170757309.db2.gz DOWCHGPDRXQZFI-LXVYMNJGSA-N 1 0 262.353 3.824 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000044674737 330331752 /nfs/dbraw/zinc/33/17/52/330331752.db2.gz SPORMIBUECNTQT-VUCTXSBTSA-N 1 0 282.343 3.802 10 5 CHBERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192611915 528972469 /nfs/dbraw/zinc/97/24/69/528972469.db2.gz NDESRKLJIYTDBE-XHDPSFHLSA-N 1 0 262.353 3.606 10 5 CHBERO CC[NH2+][C@@H](CC)[C@@H](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000104162166 185914393 /nfs/dbraw/zinc/91/43/93/185914393.db2.gz RMHDHTLUZIRKBH-WFASDCNBSA-N 1 0 264.369 3.552 10 5 CHBERO CCC[NH2+][C@H](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000104160647 185914950 /nfs/dbraw/zinc/91/49/50/185914950.db2.gz PONLJXBHJPINEH-GXTWGEPZSA-N 1 0 264.369 3.552 10 5 CHBERO C[C@@H](C[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000104432782 186000813 /nfs/dbraw/zinc/00/08/13/186000813.db2.gz LAFZYUIOJJGKDN-WCQYABFASA-N 1 0 264.369 3.537 10 5 CHBERO C[C@H]([NH3+])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035286609 172104411 /nfs/dbraw/zinc/10/44/11/172104411.db2.gz TXPQIPBEDPDEMB-JTQLQIEISA-N 1 0 274.345 3.766 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2[N+](=O)[O-])cc1 ZINC000035286838 172105030 /nfs/dbraw/zinc/10/50/30/172105030.db2.gz DCRIJWAXEJGNBI-SNVBAGLBSA-N 1 0 274.345 3.766 10 5 CHBERO CC[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(CC)s1 ZINC000035537233 172243436 /nfs/dbraw/zinc/24/34/36/172243436.db2.gz FYCMVOMNPSHRLJ-ZDUSSCGKSA-N 1 0 280.349 3.511 10 5 CHBERO CCC[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035573008 172269073 /nfs/dbraw/zinc/26/90/73/172269073.db2.gz IBSKRLRAZVKSIB-ZDUSSCGKSA-N 1 0 280.349 3.647 10 5 CHBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071205886 176080037 /nfs/dbraw/zinc/08/00/37/176080037.db2.gz YCDYNJQNFDWGBI-ZKYQVNSYSA-N 1 0 262.353 3.742 10 5 CHBERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000044674954 330331717 /nfs/dbraw/zinc/33/17/17/330331717.db2.gz RWLUEYIEXZFLID-JCURWCKSSA-N 1 0 282.343 3.802 10 5 CHBERO CCC[C@@H](CCc1ccc(Cl)cc1[N+](=O)[O-])[NH2+]CC ZINC000050444386 520702504 /nfs/dbraw/zinc/70/25/04/520702504.db2.gz RFSNJGNNUITXAB-ZDUSSCGKSA-N 1 0 284.787 3.959 10 5 CHBERO C[NH2+][C@@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000052924633 522330389 /nfs/dbraw/zinc/33/03/89/522330389.db2.gz CISBPLYDDAPHHV-QMMMGPOBSA-N 1 0 280.711 3.789 10 5 CHBERO CC(C)CO[C@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000033667204 717121446 /nfs/dbraw/zinc/12/14/46/717121446.db2.gz MKCYZLGVKVJMFE-PWCSWUJKSA-N 1 0 290.427 3.890 10 5 CHBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccsc1 ZINC000102675843 1120230844 /nfs/dbraw/zinc/23/08/44/1120230844.db2.gz IHUREGSNWLPQSN-LLVKDONJSA-N 1 0 276.361 3.849 10 5 CHBERO C[C@H](C[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000104432778 186000342 /nfs/dbraw/zinc/00/03/42/186000342.db2.gz LAFZYUIOJJGKDN-YPMHNXCESA-N 1 0 264.369 3.537 10 5 CHBERO CCC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035573009 172269055 /nfs/dbraw/zinc/26/90/55/172269055.db2.gz IBSKRLRAZVKSIB-CYBMUJFWSA-N 1 0 280.349 3.647 10 5 CHBERO CC[C@H]([NH2+][C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738527 172391486 /nfs/dbraw/zinc/39/14/86/172391486.db2.gz UOCVWPNLMZKYQP-RISCZKNCSA-N 1 0 274.320 3.990 10 5 CHBERO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000248528089 334304787 /nfs/dbraw/zinc/30/47/87/334304787.db2.gz IPHXRGAGQVDQLC-UHOFOFEASA-N 1 0 292.379 3.593 10 5 CHBERO CC[NH2+][C@H](C)[C@@H](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062726891 520176258 /nfs/dbraw/zinc/17/62/58/520176258.db2.gz KWJVDAKNZMCIPA-OLZOCXBDSA-N 1 0 264.369 3.552 10 5 CHBERO C[NH2+][C@@H](C)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000048784177 522335455 /nfs/dbraw/zinc/33/54/55/522335455.db2.gz OAQBVEGJBLZYQN-NSHDSACASA-N 1 0 256.305 3.542 10 5 CHBERO O=[N+]([O-])c1cc(C[NH2+]CCCC(F)(F)F)ccc1Cl ZINC000097988734 527328695 /nfs/dbraw/zinc/32/86/95/527328695.db2.gz IXOLBGCVIPGEAV-UHFFFAOYSA-N 1 0 296.676 3.680 10 5 CHBERO CCCCC1=Cc2cc3c(cc2[C@H]1[N+](C)(C)C)OCO3 ZINC000033884390 717123295 /nfs/dbraw/zinc/12/32/95/717123295.db2.gz QUJBINWIEFCRSV-KRWDZBQOSA-N 1 0 274.384 3.750 10 5 CHBERO C[C@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000038082084 174091328 /nfs/dbraw/zinc/09/13/28/174091328.db2.gz MUOSJVXKIQDILS-VIFPVBQESA-N 1 0 276.267 3.546 10 5 CHBERO CC(C)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000038093556 174107490 /nfs/dbraw/zinc/10/74/90/174107490.db2.gz GVQFFRBAPLCTLC-GFCCVEGCSA-N 1 0 250.342 3.682 10 5 CHBERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180436735 260101665 /nfs/dbraw/zinc/10/16/65/260101665.db2.gz XIICVTYFCJKPMT-DQYPLSBCSA-N 1 0 282.343 3.682 10 5 CHBERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180436774 260101860 /nfs/dbraw/zinc/10/18/60/260101860.db2.gz XIICVTYFCJKPMT-JLZZUVOBSA-N 1 0 282.343 3.682 10 5 CHBERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172914946 261154734 /nfs/dbraw/zinc/15/47/34/261154734.db2.gz QGHZKAKEDHNLLR-MLGOLLRUSA-N 1 0 298.342 3.769 10 5 CHBERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000188950038 329375706 /nfs/dbraw/zinc/37/57/06/329375706.db2.gz CCKFBPPWTKBUQK-INIZCTEOSA-N 1 0 298.342 3.517 10 5 CHBERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246043385 334228608 /nfs/dbraw/zinc/22/86/08/334228608.db2.gz XIICVTYFCJKPMT-CSMYWGQOSA-N 1 0 282.343 3.682 10 5 CHBERO C[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444554 522377940 /nfs/dbraw/zinc/37/79/40/522377940.db2.gz HFSGUUKRKVJHPP-GXFFZTMASA-N 1 0 282.771 3.569 10 5 CHBERO Cc1ccc(-c2nc3ccc(C)cn3c2C[N+](C)(C)C)cc1 ZINC000034108582 717124237 /nfs/dbraw/zinc/12/42/37/717124237.db2.gz BQLHSVITRGCFBQ-UHFFFAOYSA-N 1 0 294.422 3.824 10 5 CHBERO CC[N+](C)(CC)C(=O)Nc1ccc(Cl)cc1C ZINC000604934878 717185466 /nfs/dbraw/zinc/18/54/66/717185466.db2.gz HFUUDXXGWBSZTQ-UHFFFAOYSA-O 1 0 255.769 3.667 10 5 CHBERO C[N+](C)(C)Cc1cccc(CC[Si](C)(C)C)c1 ZINC000725435544 717188856 /nfs/dbraw/zinc/18/88/56/717188856.db2.gz AEYSROURIUVMJE-UHFFFAOYSA-N 1 0 250.482 3.774 10 5 CHBERO C[N+]1(Cn2nc(Cl)c3ccccc32)CCCCCC1 ZINC001088710839 717196589 /nfs/dbraw/zinc/19/65/89/717196589.db2.gz WIOCEOOADWSUGX-UHFFFAOYSA-N 1 0 278.807 3.668 10 5 CHBERO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000037302444 173108412 /nfs/dbraw/zinc/10/84/12/173108412.db2.gz FJNHZBIPDMMSKM-CYBMUJFWSA-N 1 0 280.349 3.736 10 5 CHBERO CCC[NH2+][C@@H](CC)CCc1cccc([N+](=O)[O-])c1C ZINC000037948865 173889152 /nfs/dbraw/zinc/88/91/52/173889152.db2.gz HWZDMVMMZQGCTI-AWEZNQCLSA-N 1 0 264.369 3.614 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081199 174090410 /nfs/dbraw/zinc/09/04/10/174090410.db2.gz NNSBWVXMBQDLFT-SECBINFHSA-N 1 0 276.267 3.546 10 5 CHBERO CC(C)(C)[C@H]([NH3+])CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444339 518960215 /nfs/dbraw/zinc/96/02/15/518960215.db2.gz QZHAVNRGJNPSAB-GFCCVEGCSA-N 1 0 270.760 3.554 10 5 CHBERO C[N+](C)(C)CCN(c1ccccc1)c1ccccc1 ZINC000002033174 717093667 /nfs/dbraw/zinc/09/36/67/717093667.db2.gz SCWFPOLLEQQFQS-UHFFFAOYSA-N 1 0 255.385 3.531 10 5 CHBERO C[C@H](C[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000104432786 186000127 /nfs/dbraw/zinc/00/01/27/186000127.db2.gz LAFZYUIOJJGKDN-DGCLKSJQSA-N 1 0 264.369 3.537 10 5 CHBERO CC(C)O[C@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000000164095 169559993 /nfs/dbraw/zinc/55/99/93/169559993.db2.gz VSJOUNZXFBUJJJ-MYFVLZFPSA-N 1 0 276.400 3.642 10 5 CHBERO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000038029319 174019737 /nfs/dbraw/zinc/01/97/37/174019737.db2.gz DJVWQHWLYHUUJD-LLVKDONJSA-N 1 0 297.786 3.535 10 5 CHBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071205888 176079906 /nfs/dbraw/zinc/07/99/06/176079906.db2.gz YCDYNJQNFDWGBI-SUHUHFCYSA-N 1 0 262.353 3.742 10 5 CHBERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000020526146 262246342 /nfs/dbraw/zinc/24/63/42/262246342.db2.gz OGLIVQKIICLUDA-CQSZACIVSA-N 1 0 284.359 3.878 10 5 CHBERO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000116296264 267137420 /nfs/dbraw/zinc/13/74/20/267137420.db2.gz BPSGLAMRNJMKLI-OAHLLOKOSA-N 1 0 286.331 3.833 10 5 CHBERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000037565808 333535179 /nfs/dbraw/zinc/53/51/79/333535179.db2.gz PXEHTCICHFMJGG-TZMCWYRMSA-N 1 0 282.343 3.585 10 5 CHBERO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000248528093 334304832 /nfs/dbraw/zinc/30/48/32/334304832.db2.gz IPHXRGAGQVDQLC-VBNZEHGJSA-N 1 0 292.379 3.593 10 5 CHBERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000251562586 334364497 /nfs/dbraw/zinc/36/44/97/334364497.db2.gz SPORMIBUECNTQT-AFAVFJNCSA-N 1 0 282.343 3.802 10 5 CHBERO CCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443043 520227036 /nfs/dbraw/zinc/22/70/36/520227036.db2.gz ATIJCTCWIPBWIV-UHFFFAOYSA-N 1 0 256.733 3.528 10 5 CHBERO C[NH2+][C@H](C)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000052924634 522445756 /nfs/dbraw/zinc/44/57/56/522445756.db2.gz CISBPLYDDAPHHV-MRVPVSSYSA-N 1 0 280.711 3.789 10 5 CHBERO COc1c(O)cc(CC[NH+](C)C)c2ccc3ccccc3c21 ZINC000013374022 560215295 /nfs/dbraw/zinc/21/52/95/560215295.db2.gz HCXNUWJYBNHDAE-UHFFFAOYSA-N 1 0 295.382 3.811 10 5 biogenic,in-vitro CHBERO CCC[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104317526 185966548 /nfs/dbraw/zinc/96/65/48/185966548.db2.gz AEZPECFJMWWYCM-VIFPVBQESA-N 1 0 256.733 3.526 10 5 CHBERO C[C@@H]([NH3+])c1c(F)cccc1Sc1ccccc1[N+](=O)[O-] ZINC000035286834 172105411 /nfs/dbraw/zinc/10/54/11/172105411.db2.gz VYECHHCLCCDUTC-SECBINFHSA-N 1 0 292.335 3.905 10 5 CHBERO CCC(CC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072713654 264270699 /nfs/dbraw/zinc/27/06/99/264270699.db2.gz NGVLRAHNFFQFKW-UHFFFAOYSA-N 1 0 256.733 3.526 10 5 CHBERO CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1cccc([N+](=O)[O-])c1 ZINC000361945905 266907813 /nfs/dbraw/zinc/90/78/13/266907813.db2.gz NJXUKABBYFSMEQ-MJBXVCDLSA-N 1 0 280.393 3.530 10 5 CHBERO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000052335911 522651806 /nfs/dbraw/zinc/65/18/06/522651806.db2.gz IDYKJCXERMTNHP-ZDUSSCGKSA-N 1 0 266.341 3.636 10 5 CHBERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192611931 528420934 /nfs/dbraw/zinc/42/09/34/528420934.db2.gz NDESRKLJIYTDBE-ABAIWWIYSA-N 1 0 262.353 3.606 10 5 CHBERO C[N+](C)(Cc1cc(Cl)c2c(c1)OCCO2)C1CCCC1 ZINC000029414466 717118785 /nfs/dbraw/zinc/11/87/85/717118785.db2.gz CNXIKEVADNXUMD-UHFFFAOYSA-N 1 0 296.818 3.630 10 5 CHBERO CC[NH2+][C@@H](CCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000104314615 185964693 /nfs/dbraw/zinc/96/46/93/185964693.db2.gz COAGEUMPUFRUEQ-ZDUSSCGKSA-N 1 0 282.771 3.569 10 5 CHBERO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000104437690 186002048 /nfs/dbraw/zinc/00/20/48/186002048.db2.gz WIXUZQMUVFELBM-UHFFFAOYSA-N 1 0 282.771 3.918 10 5 CHBERO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000035737041 172390311 /nfs/dbraw/zinc/39/03/11/172390311.db2.gz DHHGKFHDRBJWOE-SECBINFHSA-N 1 0 280.324 3.646 10 5 CHBERO CC1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000070547494 567889037 /nfs/dbraw/zinc/88/90/37/567889037.db2.gz ONHOQUQUIWVTQU-UHFFFAOYSA-N 1 0 276.380 3.901 10 5 CHBERO C[N+](C)(C)CCN1c2ccccc2Sc2ccccc21 ZINC000001995417 717090898 /nfs/dbraw/zinc/09/08/98/717090898.db2.gz SFORZWADPHOEMU-UHFFFAOYSA-N 1 0 285.436 3.996 10 5 CHBERO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000037775585 184542265 /nfs/dbraw/zinc/54/22/65/184542265.db2.gz KDRBDPHJOFJICZ-FZMZJTMJSA-N 1 0 250.342 3.680 10 5 CHBERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000038004999 173967135 /nfs/dbraw/zinc/96/71/35/173967135.db2.gz KRCDTRXATVVJJZ-CHWSQXEVSA-N 1 0 294.395 3.560 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000038082085 174091233 /nfs/dbraw/zinc/09/12/33/174091233.db2.gz MUOSJVXKIQDILS-SECBINFHSA-N 1 0 276.267 3.546 10 5 CHBERO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000052335913 522876745 /nfs/dbraw/zinc/87/67/45/522876745.db2.gz IDYKJCXERMTNHP-CYBMUJFWSA-N 1 0 266.341 3.636 10 5 CHBERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773540 525416908 /nfs/dbraw/zinc/41/69/08/525416908.db2.gz VUMPHADJTULRQL-LBPRGKRZSA-N 1 0 288.322 3.893 10 5 CHBERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725270673 567924629 /nfs/dbraw/zinc/92/46/29/567924629.db2.gz CQUFRNLUVWOUIV-TYNCELHUSA-N 1 0 274.364 3.560 10 5 CHBERO C[N+]1([C@@H]2CCCC[C@@H]2c2cccc(O)c2)CCCC1 ZINC000001568507 717088473 /nfs/dbraw/zinc/08/84/73/717088473.db2.gz OEEAVTSKIAPADB-IAGOWNOFSA-O 1 0 260.401 3.659 10 5 CHBERO CC(C)CO[C@@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000033667202 717121684 /nfs/dbraw/zinc/12/16/84/717121684.db2.gz MKCYZLGVKVJMFE-ADUPEVMXSA-N 1 0 290.427 3.890 10 5 CHBERO CC(C)CO[C@@H]1C[C@@H]2CCCC[N@+]2(Cc2ccccc2)O1 ZINC000257352644 717177980 /nfs/dbraw/zinc/17/79/80/717177980.db2.gz MKCYZLGVKVJMFE-GBESFXJTSA-N 1 0 290.427 3.890 10 5 CHBERO Cc1cc(C[NH3+])ccc1Sc1ccccc1[N+](=O)[O-] ZINC000104288590 185956468 /nfs/dbraw/zinc/95/64/68/185956468.db2.gz OJYDRUXGMYRKKD-UHFFFAOYSA-N 1 0 274.345 3.513 10 5 CHBERO CCCn1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000091012390 260264726 /nfs/dbraw/zinc/26/47/26/260264726.db2.gz BDIBKMANDFXHEJ-ZDUSSCGKSA-N 1 0 287.363 3.657 10 5 CHBERO CCC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000048327161 328051657 /nfs/dbraw/zinc/05/16/57/328051657.db2.gz JOPAXVPNTLJBDZ-UHFFFAOYSA-N 1 0 262.353 3.653 10 5 CHBERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188948098 329375933 /nfs/dbraw/zinc/37/59/33/329375933.db2.gz MISZIVPMCZESNI-INIZCTEOSA-N 1 0 298.342 3.517 10 5 CHBERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725270675 567924696 /nfs/dbraw/zinc/92/46/96/567924696.db2.gz CQUFRNLUVWOUIV-ZOWXZIJZSA-N 1 0 274.364 3.560 10 5 CHBERO CC(C)CO[C@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000000164103 717087332 /nfs/dbraw/zinc/08/73/32/717087332.db2.gz MKCYZLGVKVJMFE-PAMZHZACSA-N 1 0 290.427 3.890 10 5 CHBERO C[N+](C)(CCCOCc1ccccc1)C1CCCC1 ZINC000182158118 717157901 /nfs/dbraw/zinc/15/79/01/717157901.db2.gz QWGFAKAJSRPNEG-UHFFFAOYSA-N 1 0 262.417 3.612 10 5 CHBERO O=C1CC[N+](Cc2ccccc2)(Cc2ccccc2)CC1 ZINC000694739604 717188429 /nfs/dbraw/zinc/18/84/29/717188429.db2.gz DWNUJDULQRSOAW-UHFFFAOYSA-N 1 0 280.391 3.567 10 5 CHBERO C[C@H]([NH3+])c1ccc(Sc2ccccc2[N+](=O)[O-])cc1 ZINC000035286836 172105043 /nfs/dbraw/zinc/10/50/43/172105043.db2.gz DCRIJWAXEJGNBI-JTQLQIEISA-N 1 0 274.345 3.766 10 5 CHBERO Cc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1[N+](=O)[O-] ZINC000037257590 173068208 /nfs/dbraw/zinc/06/82/08/173068208.db2.gz AUKLRYFKZPUJCP-LBPRGKRZSA-N 1 0 262.353 3.744 10 5 CHBERO CCC[NH2+][C@H](CC)CCCc1ccc([N+](=O)[O-])cc1 ZINC000037948868 173889223 /nfs/dbraw/zinc/88/92/23/173889223.db2.gz JYRUBJQHTJCKRK-CQSZACIVSA-N 1 0 264.369 3.696 10 5 CHBERO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000037668228 333535919 /nfs/dbraw/zinc/53/59/19/333535919.db2.gz JIEKYRQCCIXOTQ-JSGCOSHPSA-N 1 0 276.380 3.899 10 5 CHBERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246043392 334228666 /nfs/dbraw/zinc/22/86/66/334228666.db2.gz XIICVTYFCJKPMT-OAUYIBNBSA-N 1 0 282.343 3.682 10 5 CHBERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048784205 522806294 /nfs/dbraw/zinc/80/62/94/522806294.db2.gz PWCKIOCCBWCAST-MRXNPFEDSA-N 1 0 270.332 3.932 10 5 CHBERO CCC(CC)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000104444502 186003939 /nfs/dbraw/zinc/00/39/39/186003939.db2.gz SDNLCPKDNINFCT-LBPRGKRZSA-N 1 0 264.369 3.552 10 5 CHBERO O=c1cc(C[NH+]2CCCCC2)c2c(ccc3ccccc32)o1 ZINC000006476683 170204510 /nfs/dbraw/zinc/20/45/10/170204510.db2.gz ICNCHTBKXPAWRE-UHFFFAOYSA-N 1 0 293.366 3.932 10 5 CHBERO Cc1cccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000160141049 327596158 /nfs/dbraw/zinc/59/61/58/327596158.db2.gz MEAWEMXCUXSDHX-LLVKDONJSA-N 1 0 276.361 3.816 10 5 CHBERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000300414888 332814852 /nfs/dbraw/zinc/81/48/52/332814852.db2.gz QSOWJORVTKAZTD-KCPJHIHWSA-N 1 0 262.353 3.824 10 5 CHBERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444458 520063220 /nfs/dbraw/zinc/06/32/20/520063220.db2.gz DIDSQZPXMZBWIA-WDEREUQCSA-N 1 0 284.787 3.815 10 5 CHBERO CC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058872550 520923850 /nfs/dbraw/zinc/92/38/50/520923850.db2.gz MQXMMOHQSCQPSR-UHFFFAOYSA-N 1 0 262.353 3.511 10 5 CHBERO C[N+](C)(Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000057939923 717130983 /nfs/dbraw/zinc/13/09/83/717130983.db2.gz JFOUTMRVOPSQDD-UHFFFAOYSA-N 1 0 256.772 3.998 10 5 CHBERO C[N+](C)(C[C@@H]1CCC2(CCCCC2)O1)C1CCCC1 ZINC000191698608 717157806 /nfs/dbraw/zinc/15/78/06/717157806.db2.gz ALHHTABZBPMDHT-INIZCTEOSA-N 1 0 266.449 3.887 10 5 CHBERO C[N+](C)(CCC(=O)c1cccs1)Cc1ccccc1 ZINC000690400525 717188363 /nfs/dbraw/zinc/18/83/63/717188363.db2.gz BJNOHUFGCFTKDZ-UHFFFAOYSA-N 1 0 274.409 3.598 10 5 CHBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccsc1 ZINC000102675840 1120231120 /nfs/dbraw/zinc/23/11/20/1120231120.db2.gz IHUREGSNWLPQSN-NSHDSACASA-N 1 0 276.361 3.849 10 5 CHBERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020145236 171030030 /nfs/dbraw/zinc/03/00/30/171030030.db2.gz CNMSJGGWOKIBQZ-CHWSQXEVSA-N 1 0 288.347 3.860 10 5 CHBERO CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738526 172391596 /nfs/dbraw/zinc/39/15/96/172391596.db2.gz UOCVWPNLMZKYQP-SMDDNHRTSA-N 1 0 274.320 3.990 10 5 CHBERO CC[C@@H]([NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010383 326833955 /nfs/dbraw/zinc/83/39/55/326833955.db2.gz SRLNJPLRQIGHAM-OAHLLOKOSA-N 1 0 262.353 3.968 10 5 CHBERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444548 522377931 /nfs/dbraw/zinc/37/79/31/522377931.db2.gz HFSGUUKRKVJHPP-ZWNOBZJWSA-N 1 0 282.771 3.569 10 5 CHBERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444557 522491215 /nfs/dbraw/zinc/49/12/15/522491215.db2.gz HFSGUUKRKVJHPP-GWCFXTLKSA-N 1 0 282.771 3.569 10 5 CHBERO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725270666 567924861 /nfs/dbraw/zinc/92/48/61/567924861.db2.gz CQUFRNLUVWOUIV-JMSVASOKSA-N 1 0 274.364 3.560 10 5 CHBERO CC(C)O[C@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000033906123 717123624 /nfs/dbraw/zinc/12/36/24/717123624.db2.gz VSJOUNZXFBUJJJ-OWZOALSMSA-N 1 0 276.400 3.642 10 5 CHBERO CCCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526225 171239417 /nfs/dbraw/zinc/23/94/17/171239417.db2.gz OEEOEXQBLBWFKH-GFCCVEGCSA-N 1 0 250.342 3.826 10 5 CHBERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000037253635 173064127 /nfs/dbraw/zinc/06/41/27/173064127.db2.gz WLQSPYDBGBTBQX-AGIUHOORSA-N 1 0 262.353 3.824 10 5 CHBERO Cc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1[N+](=O)[O-] ZINC000037257589 173068537 /nfs/dbraw/zinc/06/85/37/173068537.db2.gz AUKLRYFKZPUJCP-GFCCVEGCSA-N 1 0 262.353 3.744 10 5 CHBERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172914956 261154929 /nfs/dbraw/zinc/15/49/29/261154929.db2.gz QGHZKAKEDHNLLR-WBMJQRKESA-N 1 0 298.342 3.769 10 5 CHBERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301984757 261345220 /nfs/dbraw/zinc/34/52/20/261345220.db2.gz CEOBQYQQYWOYDH-AWEZNQCLSA-N 1 0 299.374 3.527 10 5 CHBERO O=[N+]([O-])c1cc(C[NH2+]C(C2CC2)C2CC2)ccc1Cl ZINC000112017592 261568633 /nfs/dbraw/zinc/56/86/33/261568633.db2.gz WZONPBCSVRXFBK-UHFFFAOYSA-N 1 0 280.755 3.526 10 5 CHBERO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000094837436 265263470 /nfs/dbraw/zinc/26/34/70/265263470.db2.gz XVLCFPVTLXBHKM-LBPRGKRZSA-N 1 0 288.322 3.893 10 5 CHBERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000251558750 334364171 /nfs/dbraw/zinc/36/41/71/334364171.db2.gz RWLUEYIEXZFLID-AFAVFJNCSA-N 1 0 282.343 3.802 10 5 CHBERO CC[NH2+][C@@H](C)[C@@H](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062726893 520073293 /nfs/dbraw/zinc/07/32/93/520073293.db2.gz KWJVDAKNZMCIPA-STQMWFEESA-N 1 0 264.369 3.552 10 5 CHBERO C[NH2+][C@H](C)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000048784179 522450565 /nfs/dbraw/zinc/45/05/65/522450565.db2.gz OAQBVEGJBLZYQN-LLVKDONJSA-N 1 0 256.305 3.542 10 5 CHBERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192793721 525689232 /nfs/dbraw/zinc/68/92/32/525689232.db2.gz QQVVHTDSBQHEMB-WBMJQRKESA-N 1 0 298.342 3.769 10 5 CHBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCCC1 ZINC000050443372 527332358 /nfs/dbraw/zinc/33/23/58/527332358.db2.gz HUXROYQLWIQJEM-UHFFFAOYSA-N 1 0 268.744 3.528 10 5 CHBERO CC1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071029699 567890878 /nfs/dbraw/zinc/89/08/78/567890878.db2.gz LEXBZPCBNQVBBF-UHFFFAOYSA-N 1 0 276.380 3.901 10 5 CHBERO CC(C)(C)CC(C)(C)C(=O)OCC[N+]1(C)CCCCC1 ZINC000003624303 717096027 /nfs/dbraw/zinc/09/60/27/717096027.db2.gz MDKWEUZRUYDZAJ-UHFFFAOYSA-N 1 0 284.464 3.623 10 5 CHBERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000082710157 178220995 /nfs/dbraw/zinc/22/09/95/178220995.db2.gz VHFNLKCKYATDMC-JTQLQIEISA-N 1 0 274.295 3.681 10 5 CHBERO CC[NH2+][C@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000104070477 185891670 /nfs/dbraw/zinc/89/16/70/185891670.db2.gz XFKCZKUYQNFAPY-CYBMUJFWSA-N 1 0 282.771 3.569 10 5 CHBERO C[N+](C)(C)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000035636538 172320959 /nfs/dbraw/zinc/32/09/59/172320959.db2.gz JWJHWTQIURRWSC-UHFFFAOYSA-N 1 0 295.406 3.953 10 5 in-vitro CHBERO CCC[NH2+][C@H](C)[C@H](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038004995 173967229 /nfs/dbraw/zinc/96/72/29/173967229.db2.gz LEOYKKSBJKIQCS-VXGBXAGGSA-N 1 0 282.359 3.691 10 5 CHBERO C[C@H]([NH3+])c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081198 174090800 /nfs/dbraw/zinc/09/08/00/174090800.db2.gz NNSBWVXMBQDLFT-VIFPVBQESA-N 1 0 276.267 3.546 10 5 CHBERO CCCn1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000091012392 260264624 /nfs/dbraw/zinc/26/46/24/260264624.db2.gz BDIBKMANDFXHEJ-CYBMUJFWSA-N 1 0 287.363 3.657 10 5 CHBERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000222167036 333176424 /nfs/dbraw/zinc/17/64/24/333176424.db2.gz QSOWJORVTKAZTD-UGFHNGPFSA-N 1 0 262.353 3.824 10 5 CHBERO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000037668227 333536006 /nfs/dbraw/zinc/53/60/06/333536006.db2.gz JIEKYRQCCIXOTQ-OCCSQVGLSA-N 1 0 276.380 3.899 10 5 CHBERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444552 522491399 /nfs/dbraw/zinc/49/13/99/522491399.db2.gz HFSGUUKRKVJHPP-MFKMUULPSA-N 1 0 282.771 3.569 10 5 CHBERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444456 519987844 /nfs/dbraw/zinc/98/78/44/519987844.db2.gz DIDSQZPXMZBWIA-QWRGUYRKSA-N 1 0 284.787 3.815 10 5 CHBERO C[NH2+][C@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000050444396 522467074 /nfs/dbraw/zinc/46/70/74/522467074.db2.gz JSQPCSXPRBKWAW-CYBMUJFWSA-N 1 0 284.787 3.815 10 5 CHBERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192611946 528972544 /nfs/dbraw/zinc/97/25/44/528972544.db2.gz NDESRKLJIYTDBE-NHYWBVRUSA-N 1 0 262.353 3.606 10 5 CHBERO CCC[NH2+][C@H](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000104160657 185914943 /nfs/dbraw/zinc/91/49/43/185914943.db2.gz PONLJXBHJPINEH-TZMCWYRMSA-N 1 0 264.369 3.552 10 5 CHBERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205775 176079724 /nfs/dbraw/zinc/07/97/24/176079724.db2.gz RAXHZAWITMDASI-NILFDRSVSA-N 1 0 262.353 3.824 10 5 CHBERO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000094837896 265263183 /nfs/dbraw/zinc/26/31/83/265263183.db2.gz AILCPMRAZIKFHO-LBPRGKRZSA-N 1 0 288.322 3.893 10 5 CHBERO CC[C@H]([NH3+])c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000048784154 522346917 /nfs/dbraw/zinc/34/69/17/522346917.db2.gz RCCNKUWEBCCYSO-HNNXBMFYSA-N 1 0 256.305 3.672 10 5 CHBERO CC[N+](CC)(CC)CCOC1C2CC3CC(C2)CC1C3 ZINC000002003319 717092706 /nfs/dbraw/zinc/09/27/06/717092706.db2.gz XIKRPBTZZHXJPR-UHFFFAOYSA-N 1 0 280.476 3.704 10 5 CHBERO CCCCC1=Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3 ZINC000033884389 717123340 /nfs/dbraw/zinc/12/33/40/717123340.db2.gz QUJBINWIEFCRSV-QGZVFWFLSA-N 1 0 274.384 3.750 10 5 CHBERO CC(C)O[C@@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000033906121 717123363 /nfs/dbraw/zinc/12/33/63/717123363.db2.gz VSJOUNZXFBUJJJ-UBFHEZILSA-N 1 0 276.400 3.642 10 5 CHBERO COc1ccc(Cl)cc1C[N+](C)(C)C1CCCC1 ZINC000070855607 717133158 /nfs/dbraw/zinc/13/31/58/717133158.db2.gz GNNQQAOGPYPNFY-UHFFFAOYSA-N 1 0 268.808 3.868 10 5 CHBERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000044674863 330331777 /nfs/dbraw/zinc/33/17/77/330331777.db2.gz KIDHNYGTDHTDTG-WQVCFCJDSA-N 1 0 282.343 3.802 10 5 CHBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1cccs1 ZINC000050443203 527332034 /nfs/dbraw/zinc/33/20/34/527332034.db2.gz HJAHESOXQGJQEC-UHFFFAOYSA-N 1 0 296.779 3.642 10 5 CHBERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000725270672 567924623 /nfs/dbraw/zinc/92/46/23/567924623.db2.gz CQUFRNLUVWOUIV-LALPHHSUSA-N 1 0 274.364 3.560 10 5 CHBERO CC(C)O[C@@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000004289026 717097787 /nfs/dbraw/zinc/09/77/87/717097787.db2.gz VSJOUNZXFBUJJJ-DVKDBIPTSA-N 1 0 276.400 3.642 10 5 CHBERO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000035737040 172390527 /nfs/dbraw/zinc/39/05/27/172390527.db2.gz DHHGKFHDRBJWOE-VIFPVBQESA-N 1 0 280.324 3.646 10 5 CHBERO CC[C@@H]([NH2+][C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738528 172391668 /nfs/dbraw/zinc/39/16/68/172391668.db2.gz UOCVWPNLMZKYQP-BXUZGUMPSA-N 1 0 274.320 3.990 10 5 CHBERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000037253641 173064561 /nfs/dbraw/zinc/06/45/61/173064561.db2.gz WLQSPYDBGBTBQX-FRRDWIJNSA-N 1 0 262.353 3.824 10 5 CHBERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172914951 261154639 /nfs/dbraw/zinc/15/46/39/261154639.db2.gz QGHZKAKEDHNLLR-LRDDRELGSA-N 1 0 298.342 3.769 10 5 CHBERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000044674858 330331713 /nfs/dbraw/zinc/33/17/13/330331713.db2.gz KIDHNYGTDHTDTG-APHBMKBZSA-N 1 0 282.343 3.802 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000251558762 334364066 /nfs/dbraw/zinc/36/40/66/334364066.db2.gz RWLUEYIEXZFLID-ZLIFDBKOSA-N 1 0 282.343 3.802 10 5 CHBERO Cc1c([C@H](C)[NH2+][C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000159049760 334819071 /nfs/dbraw/zinc/81/90/71/334819071.db2.gz ZPZAWHZBNNLNPJ-RYUDHWBXSA-N 1 0 250.342 3.598 10 5 CHBERO C[C@@H]([NH2+]Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000020526214 171239403 /nfs/dbraw/zinc/23/94/03/171239403.db2.gz NZFFRVDFNHVNAT-SNVBAGLBSA-N 1 0 262.334 3.507 10 5 CHBERO CCCCC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035135654 172003181 /nfs/dbraw/zinc/00/31/81/172003181.db2.gz HQPHLFNWXNWGAI-GFCCVEGCSA-N 1 0 250.342 3.653 10 5 CHBERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222153547 262288431 /nfs/dbraw/zinc/28/84/31/262288431.db2.gz GLBANSMWBGYTQW-YUTCNCBUSA-N 1 0 262.353 3.742 10 5 CHBERO CC(C)O[C@@H]1C[C@@H]2CCCC[N@+]2(Cc2ccccc2)O1 ZINC000255004245 189996021 /nfs/dbraw/zinc/99/60/21/189996021.db2.gz VSJOUNZXFBUJJJ-OKZBNKHCSA-N 1 0 276.400 3.642 10 5 CHBERO C[C@@H]([NH3+])c1ccc(Sc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000035286614 172104696 /nfs/dbraw/zinc/10/46/96/172104696.db2.gz QJNCSRSOLZIXRX-SECBINFHSA-N 1 0 292.335 3.905 10 5 CHBERO CCC[NH2+][C@@H](CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000037949107 173889537 /nfs/dbraw/zinc/88/95/37/173889537.db2.gz MCTUOYRFZTXXOC-HNNXBMFYSA-N 1 0 264.369 3.552 10 5 CHBERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000300413815 332814717 /nfs/dbraw/zinc/81/47/17/332814717.db2.gz GLBANSMWBGYTQW-BNOWGMLFSA-N 1 0 262.353 3.742 10 5 CHBERO C[N+](C)(C[C@H]1CCC2(CCCCC2)O1)C1CCCC1 ZINC000191698625 329421133 /nfs/dbraw/zinc/42/11/33/329421133.db2.gz ALHHTABZBPMDHT-MRXNPFEDSA-N 1 0 266.449 3.887 10 5 CHBERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000037565807 333534943 /nfs/dbraw/zinc/53/49/43/333534943.db2.gz PXEHTCICHFMJGG-GXTWGEPZSA-N 1 0 282.343 3.585 10 5 CHBERO C[NH2+][C@H](C)c1ccc(F)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000082710158 178221248 /nfs/dbraw/zinc/22/12/48/178221248.db2.gz VHFNLKCKYATDMC-SNVBAGLBSA-N 1 0 274.295 3.681 10 5 CHBERO CC(C)O[C@@H]1C[C@H]2CCCC[N@+]2(Cc2ccccc2)O1 ZINC000253589757 189994746 /nfs/dbraw/zinc/99/47/46/189994746.db2.gz VSJOUNZXFBUJJJ-FGTMMUONSA-N 1 0 276.400 3.642 10 5 CHBERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020007749 170967631 /nfs/dbraw/zinc/96/76/31/170967631.db2.gz FIBMYBSUVCBTJC-ZDUSSCGKSA-N 1 0 264.369 3.899 10 5 CHBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000020148038 171035592 /nfs/dbraw/zinc/03/55/92/171035592.db2.gz QMUVDJSYNRXBNP-NSHDSACASA-N 1 0 274.295 3.585 10 5 CHBERO C[C@@H]([NH3+])c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000035286849 172104982 /nfs/dbraw/zinc/10/49/82/172104982.db2.gz PRXDMKCHCLVCDX-SNVBAGLBSA-N 1 0 274.345 3.766 10 5 CHBERO CC[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(CC)s1 ZINC000035537230 172243448 /nfs/dbraw/zinc/24/34/48/172243448.db2.gz FYCMVOMNPSHRLJ-CYBMUJFWSA-N 1 0 280.349 3.511 10 5 CHBERO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000037302442 173107955 /nfs/dbraw/zinc/10/79/55/173107955.db2.gz FJNHZBIPDMMSKM-ZDUSSCGKSA-N 1 0 280.349 3.736 10 5 CHBERO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029375 174019861 /nfs/dbraw/zinc/01/98/61/174019861.db2.gz DEYQKSAQUZWSMN-LLVKDONJSA-N 1 0 297.786 3.535 10 5 CHBERO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000152623934 333905858 /nfs/dbraw/zinc/90/58/58/333905858.db2.gz JPFKZCDQBPKVAF-NEPJUHHUSA-N 1 0 280.368 3.689 10 5 CHBERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000251256873 334358968 /nfs/dbraw/zinc/35/89/68/334358968.db2.gz KIDHNYGTDHTDTG-VBNZEHGJSA-N 1 0 282.343 3.802 10 5 CHBERO CC(C)O[C@@H]1C[C@@H]2CCCC[N@@+]2(Cc2ccccc2)O1 ZINC000255004244 717171156 /nfs/dbraw/zinc/17/11/56/717171156.db2.gz VSJOUNZXFBUJJJ-BZSNNMDCSA-N 1 0 276.400 3.642 10 5 CHBERO CC(C)CO[C@@H]1C[C@@H]2CCCC[N@@+]2(Cc2ccccc2)O1 ZINC000257352643 717178012 /nfs/dbraw/zinc/17/80/12/717178012.db2.gz MKCYZLGVKVJMFE-FHWLQOOXSA-N 1 0 290.427 3.890 10 5 CHBERO CCC[NH2+][C@H](CC)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000104310592 185962576 /nfs/dbraw/zinc/96/25/76/185962576.db2.gz FGPRKBYGBIXKKZ-LLVKDONJSA-N 1 0 284.787 3.959 10 5 CHBERO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208930 171072806 /nfs/dbraw/zinc/07/28/06/171072806.db2.gz IPHXRGAGQVDQLC-RCBQFDQVSA-N 1 0 292.379 3.593 10 5 CHBERO CCCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526224 171239410 /nfs/dbraw/zinc/23/94/10/171239410.db2.gz OEEOEXQBLBWFKH-LBPRGKRZSA-N 1 0 250.342 3.826 10 5 CHBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2CCCC2)c1 ZINC000037739655 173660077 /nfs/dbraw/zinc/66/00/77/173660077.db2.gz JJBURALVWSIPAT-UHFFFAOYSA-N 1 0 282.771 3.918 10 5 CHBERO CCC[NH2+][C@@H](C)[C@H](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000037949725 173890300 /nfs/dbraw/zinc/89/03/00/173890300.db2.gz NEIUEVCRAOQBIJ-OLZOCXBDSA-N 1 0 264.369 3.552 10 5 CHBERO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000397644867 333426834 /nfs/dbraw/zinc/42/68/34/333426834.db2.gz RWYWPVHIMHMYNV-LOWVWBTDSA-N 1 0 262.353 3.680 10 5 CHBERO CC[NH2+][C@@H](C)[C@H](CC)CCc1ccccc1[N+](=O)[O-] ZINC000062726894 520074485 /nfs/dbraw/zinc/07/44/85/520074485.db2.gz KWJVDAKNZMCIPA-QWHCGFSZSA-N 1 0 264.369 3.552 10 5 CHBERO CCCCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061003201 520093508 /nfs/dbraw/zinc/09/35/08/520093508.db2.gz USEQMTNHYFWJJR-UHFFFAOYSA-N 1 0 270.760 3.918 10 5 CHBERO CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C ZINC000013454202 717107658 /nfs/dbraw/zinc/10/76/58/717107658.db2.gz XGGHHHBGPSNXFE-XYPWUTKMSA-N 1 0 282.448 3.516 10 5 world CHBERO CCc1cc2cc3cc(CC)c(N)cc3[nH+]c2cc1N ZINC000005140304 170070466 /nfs/dbraw/zinc/07/04/66/170070466.db2.gz YMHUEYFGYIOCQL-UHFFFAOYSA-N 1 0 265.360 3.677 10 5 CHBERO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020145230 171030048 /nfs/dbraw/zinc/03/00/48/171030048.db2.gz CNMSJGGWOKIBQZ-STQMWFEESA-N 1 0 288.347 3.860 10 5 CHBERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000020145234 171030124 /nfs/dbraw/zinc/03/01/24/171030124.db2.gz CNMSJGGWOKIBQZ-QWHCGFSZSA-N 1 0 288.347 3.860 10 5 CHBERO C[C@H]([NH3+])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043473038 175053919 /nfs/dbraw/zinc/05/39/19/175053919.db2.gz MUXIQLBIIXCWGF-VIFPVBQESA-N 1 0 276.267 3.546 10 5 CHBERO Cc1c(C[N@@H+]2CCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000116296267 267137163 /nfs/dbraw/zinc/13/71/63/267137163.db2.gz BPSGLAMRNJMKLI-HNNXBMFYSA-N 1 0 286.331 3.833 10 5 CHBERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000037668229 333536035 /nfs/dbraw/zinc/53/60/35/333536035.db2.gz JIEKYRQCCIXOTQ-TZMCWYRMSA-N 1 0 276.380 3.899 10 5 CHBERO C[NH2+][C@@H](CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000050444399 522351096 /nfs/dbraw/zinc/35/10/96/522351096.db2.gz JSQPCSXPRBKWAW-ZDUSSCGKSA-N 1 0 284.787 3.815 10 5 CHBERO CC[C@@H](Nc1cc[nH+]c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000302566934 529212286 /nfs/dbraw/zinc/21/22/86/529212286.db2.gz NQVBZOWVPBTKEP-OAHLLOKOSA-N 1 0 271.320 3.861 10 5 CHBERO CCCOc1ccc(OCC[N+](C)(C)C2CCCC2)cc1 ZINC000125334528 717150677 /nfs/dbraw/zinc/15/06/77/717150677.db2.gz CDBZMXJYSOXBRQ-UHFFFAOYSA-N 1 0 292.443 3.873 10 5 CHBERO CCC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775692 184542228 /nfs/dbraw/zinc/54/22/28/184542228.db2.gz QMZIWBCTZMRCMF-NEPJUHHUSA-N 1 0 250.342 3.682 10 5 CHBERO CC(C)CO[C@@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1 ZINC000005481760 170103569 /nfs/dbraw/zinc/10/35/69/170103569.db2.gz MKCYZLGVKVJMFE-YTYFACEESA-N 1 0 290.427 3.890 10 5 CHBERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1ccccc1[N+](=O)[O-] ZINC000035286841 172105107 /nfs/dbraw/zinc/10/51/07/172105107.db2.gz KDTNOKGKADVGHA-SECBINFHSA-N 1 0 292.335 3.905 10 5 CHBERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000045628665 330347266 /nfs/dbraw/zinc/34/72/66/330347266.db2.gz FVWXBDHJBRDLAO-OLZOCXBDSA-N 1 0 260.337 3.602 10 5 CHBERO CC1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443158 520954307 /nfs/dbraw/zinc/95/43/07/520954307.db2.gz FUGRARBJPDBGDA-UHFFFAOYSA-N 1 0 282.771 3.917 10 5 CHBERO Clc1ccccc1C[N+]12CCC(CC1)CCC2 ZINC000001998209 717091343 /nfs/dbraw/zinc/09/13/43/717091343.db2.gz CPDABFWPEGKLOM-UHFFFAOYSA-N 1 0 250.793 3.861 10 5 CHBERO CC(C)OC(=O)c1ccc(C[N+](C)(C)C2CCCC2)cc1 ZINC000160234336 717154629 /nfs/dbraw/zinc/15/46/29/717154629.db2.gz XVCAOTSBECTROS-UHFFFAOYSA-N 1 0 290.427 3.771 10 5 CHBERO CC[C@H]([NH2+][C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738525 172391712 /nfs/dbraw/zinc/39/17/12/172391712.db2.gz UOCVWPNLMZKYQP-FZMZJTMJSA-N 1 0 274.320 3.990 10 5 CHBERO CC[C@H]([NH2+]CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037257483 173068787 /nfs/dbraw/zinc/06/87/87/173068787.db2.gz AKCAMLYOEMEZPL-HNNXBMFYSA-N 1 0 262.353 3.826 10 5 CHBERO C[NH2+][C@H](CCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000037948443 173889370 /nfs/dbraw/zinc/88/93/70/173889370.db2.gz QHBSBELDTVIVSR-CQSZACIVSA-N 1 0 264.369 3.552 10 5 CHBERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038005049 173967120 /nfs/dbraw/zinc/96/71/20/173967120.db2.gz WNLOZHVUEXBNEL-OCCSQVGLSA-N 1 0 294.395 3.560 10 5 CHBERO CC[C@H]([NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010382 326834039 /nfs/dbraw/zinc/83/40/39/326834039.db2.gz SRLNJPLRQIGHAM-HNNXBMFYSA-N 1 0 262.353 3.968 10 5 CHBERO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000044674859 330331659 /nfs/dbraw/zinc/33/16/59/330331659.db2.gz KIDHNYGTDHTDTG-DAXOMENPSA-N 1 0 282.343 3.802 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000044674861 330331766 /nfs/dbraw/zinc/33/17/66/330331766.db2.gz KIDHNYGTDHTDTG-MAZHCROVSA-N 1 0 282.343 3.802 10 5 CHBERO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000037668230 333536003 /nfs/dbraw/zinc/53/60/03/333536003.db2.gz JIEKYRQCCIXOTQ-GXTWGEPZSA-N 1 0 276.380 3.899 10 5 CHBERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000385923774 336161599 /nfs/dbraw/zinc/16/15/99/336161599.db2.gz JNBKABPORCEWGE-FDRIWYBQSA-N 1 0 262.353 3.680 10 5 CHBERO CCC[C@H](CCc1ccc(Cl)cc1[N+](=O)[O-])[NH2+]CC ZINC000050444389 521098396 /nfs/dbraw/zinc/09/83/96/521098396.db2.gz RFSNJGNNUITXAB-CYBMUJFWSA-N 1 0 284.787 3.959 10 5 CHBERO CC[NH2+][C@H](CC)[C@H](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000104162179 185914570 /nfs/dbraw/zinc/91/45/70/185914570.db2.gz RMHDHTLUZIRKBH-IUODEOHRSA-N 1 0 264.369 3.552 10 5 CHBERO CCC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000042577385 174802267 /nfs/dbraw/zinc/80/22/67/174802267.db2.gz SMNGGUOFGGCBPN-UHFFFAOYSA-N 1 0 268.382 3.715 10 5 CHBERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000222167154 333176420 /nfs/dbraw/zinc/17/64/20/333176420.db2.gz QSOWJORVTKAZTD-BYCMXARLSA-N 1 0 262.353 3.824 10 5 CHBERO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000049529616 522666842 /nfs/dbraw/zinc/66/68/42/522666842.db2.gz HXBZLNUJGKLBLX-JTQLQIEISA-N 1 0 282.390 3.959 10 5 CHBERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192611899 528421112 /nfs/dbraw/zinc/42/11/12/528421112.db2.gz NDESRKLJIYTDBE-IAQYHMDHSA-N 1 0 262.353 3.606 10 5 CHBERO CC[N+](CC)(CC)CCCC(F)(F)C(F)(F)F ZINC000098210537 567911550 /nfs/dbraw/zinc/91/15/50/567911550.db2.gz GNHQSJMGDKXJOC-UHFFFAOYSA-N 1 0 262.286 3.841 10 5 CHBERO C[N+]1(Cc2ccccc2)CCC(C#N)(c2ccccc2)CC1 ZINC000033867338 717122486 /nfs/dbraw/zinc/12/24/86/717122486.db2.gz VGFCYNCGNIVFEF-UHFFFAOYSA-N 1 0 291.418 3.889 10 5 CHBERO CCC[NH2+][C@@H](CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000037949097 173889377 /nfs/dbraw/zinc/88/93/77/173889377.db2.gz GAJRJWSOMQCOQD-AWEZNQCLSA-N 1 0 264.369 3.552 10 5 CHBERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000038029318 174019191 /nfs/dbraw/zinc/01/91/91/174019191.db2.gz DJVWQHWLYHUUJD-NSHDSACASA-N 1 0 297.786 3.535 10 5 CHBERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000045628664 330347218 /nfs/dbraw/zinc/34/72/18/330347218.db2.gz FVWXBDHJBRDLAO-STQMWFEESA-N 1 0 260.337 3.602 10 5 CHBERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000251562602 334364362 /nfs/dbraw/zinc/36/43/62/334364362.db2.gz SPORMIBUECNTQT-ZLIFDBKOSA-N 1 0 282.343 3.802 10 5 CHBERO C[N+](C)(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000057939992 717130896 /nfs/dbraw/zinc/13/08/96/717130896.db2.gz GBGPPVAAHGQRCE-UHFFFAOYSA-N 1 0 256.772 3.998 10 5 CHBERO