smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000036992019 340729427 /nfs/dbraw/zinc/72/94/27/340729427.db2.gz JVPOJIZTBTXFAY-MNOVXSKESA-N 1 0 324.833 5.030 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000036992020 340729518 /nfs/dbraw/zinc/72/95/18/340729518.db2.gz JVPOJIZTBTXFAY-QWRGUYRKSA-N 1 0 324.833 5.030 20 5 DKBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000036992021 340729398 /nfs/dbraw/zinc/72/93/98/340729398.db2.gz JVPOJIZTBTXFAY-GHMZBOCLSA-N 1 0 324.833 5.030 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000036992022 340729494 /nfs/dbraw/zinc/72/94/94/340729494.db2.gz JVPOJIZTBTXFAY-WDEREUQCSA-N 1 0 324.833 5.030 20 5 DKBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000159923224 338536120 /nfs/dbraw/zinc/53/61/20/338536120.db2.gz UCPUOKQHMNFJKZ-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000159923365 338536010 /nfs/dbraw/zinc/53/60/10/338536010.db2.gz UCPUOKQHMNFJKZ-UONOGXRCSA-N 1 0 324.380 5.061 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000195548097 338904551 /nfs/dbraw/zinc/90/45/51/338904551.db2.gz NIFDYLCQNIDJEU-SJKOYZFVSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000195548101 338904547 /nfs/dbraw/zinc/90/45/47/338904547.db2.gz NIFDYLCQNIDJEU-PXAZEXFGSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000195548109 338904549 /nfs/dbraw/zinc/90/45/49/338904549.db2.gz SPTNFPZPIVAWEW-SJKOYZFVSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000195613431 338910029 /nfs/dbraw/zinc/91/00/29/338910029.db2.gz AXCMVWUEMKRNLL-SJCJKPOMSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000195613433 338910040 /nfs/dbraw/zinc/91/00/40/338910040.db2.gz AXCMVWUEMKRNLL-SJKOYZFVSA-N 1 0 318.804 5.050 20 5 DKBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195656617 338912983 /nfs/dbraw/zinc/91/29/83/338912983.db2.gz PTCFHJRICWKNSE-UONOGXRCSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195656621 338912968 /nfs/dbraw/zinc/91/29/68/338912968.db2.gz PTCFHJRICWKNSE-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195656623 338912924 /nfs/dbraw/zinc/91/29/24/338912924.db2.gz PTCFHJRICWKNSE-KGLIPLIRSA-N 1 0 324.380 5.061 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263188 333189723 /nfs/dbraw/zinc/18/97/23/333189723.db2.gz WOJORKIEBWHCPE-CABCVRRESA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263232 333189810 /nfs/dbraw/zinc/18/98/10/333189810.db2.gz WOJORKIEBWHCPE-GJZGRUSLSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263273 333189647 /nfs/dbraw/zinc/18/96/47/333189647.db2.gz WOJORKIEBWHCPE-HUUCEWRRSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000216263316 333189600 /nfs/dbraw/zinc/18/96/00/333189600.db2.gz WOJORKIEBWHCPE-LSDHHAIUSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266380 333198075 /nfs/dbraw/zinc/19/80/75/333198075.db2.gz YASRBAFMHUBZRU-CABCVRRESA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266429 333198164 /nfs/dbraw/zinc/19/81/64/333198164.db2.gz YASRBAFMHUBZRU-GJZGRUSLSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266475 333198184 /nfs/dbraw/zinc/19/81/84/333198184.db2.gz YASRBAFMHUBZRU-HUUCEWRRSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000216266517 333198113 /nfs/dbraw/zinc/19/81/13/333198113.db2.gz YASRBAFMHUBZRU-LSDHHAIUSA-N 1 0 320.392 5.160 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000218215655 334148157 /nfs/dbraw/zinc/14/81/57/334148157.db2.gz RBGGPILZGZOOBH-YVEFUNNKSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000218215793 334148194 /nfs/dbraw/zinc/14/81/94/334148194.db2.gz RBGGPILZGZOOBH-SJKOYZFVSA-N 1 0 318.804 5.050 20 5 DKBDRO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803447 340282528 /nfs/dbraw/zinc/28/25/28/340282528.db2.gz GHHOAKSSYSQRDP-CABCVRRESA-N 1 0 312.413 5.130 20 5 DKBDRO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803448 340282549 /nfs/dbraw/zinc/28/25/49/340282549.db2.gz GHHOAKSSYSQRDP-GJZGRUSLSA-N 1 0 312.413 5.130 20 5 DKBDRO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803449 340282476 /nfs/dbraw/zinc/28/24/76/340282476.db2.gz GHHOAKSSYSQRDP-HUUCEWRRSA-N 1 0 312.413 5.130 20 5 DKBDRO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803451 340282531 /nfs/dbraw/zinc/28/25/31/340282531.db2.gz GHHOAKSSYSQRDP-LSDHHAIUSA-N 1 0 312.413 5.130 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000315165468 337981475 /nfs/dbraw/zinc/98/14/75/337981475.db2.gz HEIYZLULIVFVLD-LRDDRELGSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000315165472 337981483 /nfs/dbraw/zinc/98/14/83/337981483.db2.gz HEIYZLULIVFVLD-MLGOLLRUSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392516 337986039 /nfs/dbraw/zinc/98/60/39/337986039.db2.gz FMPTVKAOOHLESA-PXAZEXFGSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392517 337986056 /nfs/dbraw/zinc/98/60/56/337986056.db2.gz FMPTVKAOOHLESA-SJCJKPOMSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392518 337986011 /nfs/dbraw/zinc/98/60/11/337986011.db2.gz FMPTVKAOOHLESA-SJKOYZFVSA-N 1 0 318.804 5.050 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392520 337986078 /nfs/dbraw/zinc/98/60/78/337986078.db2.gz FMPTVKAOOHLESA-YVEFUNNKSA-N 1 0 318.804 5.050 20 5 DKBDRO C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824534 333411364 /nfs/dbraw/zinc/41/13/64/333411364.db2.gz MGHWYUWIHCBFPD-KBXCAEBGSA-N 1 0 312.413 5.033 20 5 DKBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824536 333411362 /nfs/dbraw/zinc/41/13/62/333411362.db2.gz MGHWYUWIHCBFPD-KDOFPFPSSA-N 1 0 312.413 5.033 20 5 DKBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824541 333411367 /nfs/dbraw/zinc/41/13/67/333411367.db2.gz MGHWYUWIHCBFPD-RDTXWAMCSA-N 1 0 312.413 5.033 20 5 DKBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319860777 333413496 /nfs/dbraw/zinc/41/34/96/333413496.db2.gz RCMPMMAUHUOJEC-KSSFIOAISA-N 1 0 312.413 5.033 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082851 336080315 /nfs/dbraw/zinc/08/03/15/336080315.db2.gz ZWAANOSLRGKICB-CABCVRRESA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082853 336080253 /nfs/dbraw/zinc/08/02/53/336080253.db2.gz ZWAANOSLRGKICB-GJZGRUSLSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082854 336080304 /nfs/dbraw/zinc/08/03/04/336080304.db2.gz ZWAANOSLRGKICB-HUUCEWRRSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000324082855 336080250 /nfs/dbraw/zinc/08/02/50/336080250.db2.gz ZWAANOSLRGKICB-LSDHHAIUSA-N 1 0 320.392 5.160 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000324823363 336260328 /nfs/dbraw/zinc/26/03/28/336260328.db2.gz AHJMYCIVOHFEQV-CXAGYDPISA-N 1 0 324.380 5.143 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000324823365 336260299 /nfs/dbraw/zinc/26/02/99/336260299.db2.gz AHJMYCIVOHFEQV-DYVFJYSZSA-N 1 0 324.380 5.143 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000324823367 336260326 /nfs/dbraw/zinc/26/03/26/336260326.db2.gz AHJMYCIVOHFEQV-GUYCJALGSA-N 1 0 324.380 5.143 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000324823369 336260196 /nfs/dbraw/zinc/26/01/96/336260196.db2.gz AHJMYCIVOHFEQV-SUMWQHHRSA-N 1 0 324.380 5.143 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842188 336263054 /nfs/dbraw/zinc/26/30/54/336263054.db2.gz FGTKIYPZSRGUID-CABCVRRESA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842189 336262994 /nfs/dbraw/zinc/26/29/94/336262994.db2.gz FGTKIYPZSRGUID-GJZGRUSLSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842190 336263048 /nfs/dbraw/zinc/26/30/48/336263048.db2.gz FGTKIYPZSRGUID-HUUCEWRRSA-N 1 0 320.392 5.160 20 5 DKBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000324842191 336263012 /nfs/dbraw/zinc/26/30/12/336263012.db2.gz FGTKIYPZSRGUID-LSDHHAIUSA-N 1 0 320.392 5.160 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000325116624 336279437 /nfs/dbraw/zinc/27/94/37/336279437.db2.gz NTPTZBXLGYXSMP-KBPBESRZSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000325116625 336279439 /nfs/dbraw/zinc/27/94/39/336279439.db2.gz NTPTZBXLGYXSMP-KGLIPLIRSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000325116626 336279417 /nfs/dbraw/zinc/27/94/17/336279417.db2.gz NTPTZBXLGYXSMP-UONOGXRCSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000325116627 336279493 /nfs/dbraw/zinc/27/94/93/336279493.db2.gz NTPTZBXLGYXSMP-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170604 333239377 /nfs/dbraw/zinc/23/93/77/333239377.db2.gz ACKLIXRAVCBWQE-CRAIPNDOSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170610 333239385 /nfs/dbraw/zinc/23/93/85/333239385.db2.gz ACKLIXRAVCBWQE-MAUKXSAKSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170611 333239351 /nfs/dbraw/zinc/23/93/51/333239351.db2.gz ACKLIXRAVCBWQE-QAPCUYQASA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170612 517829517 /nfs/dbraw/zinc/82/95/17/517829517.db2.gz ACKLIXRAVCBWQE-YJBOKZPZSA-N 1 0 312.413 5.014 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396142 333276513 /nfs/dbraw/zinc/27/65/13/333276513.db2.gz FZBQPQJXOFFJNH-BEFAXECRSA-N 1 0 312.413 5.033 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396143 333276617 /nfs/dbraw/zinc/27/66/17/333276617.db2.gz FZBQPQJXOFFJNH-DNVCBOLYSA-N 1 0 312.413 5.033 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396144 333276572 /nfs/dbraw/zinc/27/65/72/333276572.db2.gz FZBQPQJXOFFJNH-HNAYVOBHSA-N 1 0 312.413 5.033 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396145 333276576 /nfs/dbraw/zinc/27/65/76/333276576.db2.gz FZBQPQJXOFFJNH-KXBFYZLASA-N 1 0 312.413 5.033 20 5 DKBDRO Cc1ccc2cc([C@H](C)[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)oc2c1 ZINC000425938397 338019144 /nfs/dbraw/zinc/01/91/44/338019144.db2.gz QDXWSPOQZBSGCY-KBPBESRZSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000442885868 338437992 /nfs/dbraw/zinc/43/79/92/338437992.db2.gz MNVMNYXUEGKQNC-UONOGXRCSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000442885869 338438190 /nfs/dbraw/zinc/43/81/90/338438190.db2.gz MNVMNYXUEGKQNC-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000443085612 338443775 /nfs/dbraw/zinc/44/37/75/338443775.db2.gz CFPVFILVPGNBER-CJNGLKHVSA-N 1 0 318.442 5.157 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000467281950 339229873 /nfs/dbraw/zinc/22/98/73/339229873.db2.gz MNVMNYXUEGKQNC-KBPBESRZSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000467281951 339229818 /nfs/dbraw/zinc/22/98/18/339229818.db2.gz MNVMNYXUEGKQNC-KGLIPLIRSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000477864723 339503193 /nfs/dbraw/zinc/50/31/93/339503193.db2.gz VAEGFATWYHBRRI-KBPBESRZSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000477864726 339503173 /nfs/dbraw/zinc/50/31/73/339503173.db2.gz VAEGFATWYHBRRI-KGLIPLIRSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000477864832 339503171 /nfs/dbraw/zinc/50/31/71/339503171.db2.gz VILHCPGZTSMQBO-UONOGXRCSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000477864835 339503256 /nfs/dbraw/zinc/50/32/56/339503256.db2.gz VILHCPGZTSMQBO-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000477866407 339503316 /nfs/dbraw/zinc/50/33/16/339503316.db2.gz VAEGFATWYHBRRI-ZIAGYGMSSA-N 1 0 324.380 5.061 20 5 DKBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000482434131 339631158 /nfs/dbraw/zinc/63/11/58/339631158.db2.gz DMLJJQWNTWOMGY-MGPUTAFESA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436749 339631240 /nfs/dbraw/zinc/63/12/40/339631240.db2.gz JJGFFMDAOYNMLA-FOIQADDNSA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436751 339631248 /nfs/dbraw/zinc/63/12/48/339631248.db2.gz JJGFFMDAOYNMLA-MGPUTAFESA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436753 339631256 /nfs/dbraw/zinc/63/12/56/339631256.db2.gz JJGFFMDAOYNMLA-QRWLVFNGSA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436756 339631252 /nfs/dbraw/zinc/63/12/52/339631252.db2.gz JJGFFMDAOYNMLA-YWZLYKJASA-N 1 0 324.424 5.095 20 5 DKBDRO CC[C@H]([NH2+][C@@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000482942454 339647428 /nfs/dbraw/zinc/64/74/28/339647428.db2.gz COKIWAQTTQWXPS-VQTJNVASSA-N 1 0 324.424 5.095 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000483124204 339652817 /nfs/dbraw/zinc/65/28/17/339652817.db2.gz GIYGAHPMYGHLKJ-KXBFYZLASA-N 1 0 312.413 5.014 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000489979030 339822862 /nfs/dbraw/zinc/82/28/62/339822862.db2.gz NUIOZUJASLYDEE-MGPUTAFESA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000489979031 339822850 /nfs/dbraw/zinc/82/28/50/339822850.db2.gz NUIOZUJASLYDEE-QRWLVFNGSA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000489979032 339822897 /nfs/dbraw/zinc/82/28/97/339822897.db2.gz NUIOZUJASLYDEE-YWZLYKJASA-N 1 0 324.424 5.095 20 5 DKBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000492878156 339911461 /nfs/dbraw/zinc/91/14/61/339911461.db2.gz REOHFOWAVQHBKP-MGPUTAFESA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000531718238 333550458 /nfs/dbraw/zinc/55/04/58/333550458.db2.gz XNGBZYRILCXBFY-MGPUTAFESA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000531718242 333550342 /nfs/dbraw/zinc/55/03/42/333550342.db2.gz XNGBZYRILCXBFY-YWZLYKJASA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199615 335914937 /nfs/dbraw/zinc/91/49/37/335914937.db2.gz HIUPYLYFVLUXGV-FOIQADDNSA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199617 335914899 /nfs/dbraw/zinc/91/48/99/335914899.db2.gz HIUPYLYFVLUXGV-QRWLVFNGSA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199618 335914903 /nfs/dbraw/zinc/91/49/03/335914903.db2.gz HIUPYLYFVLUXGV-YWZLYKJASA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccc([C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1 ZINC000532199704 335914883 /nfs/dbraw/zinc/91/48/83/335914883.db2.gz PBWUJKUDRROSGD-QRWLVFNGSA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccc([C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1 ZINC000532199705 335914866 /nfs/dbraw/zinc/91/48/66/335914866.db2.gz PBWUJKUDRROSGD-YWZLYKJASA-N 1 0 324.424 5.014 20 5 DKBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000532228607 335920808 /nfs/dbraw/zinc/92/08/08/335920808.db2.gz CCTFLRDORBLRFG-YWZLYKJASA-N 1 0 324.424 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000532499436 336252182 /nfs/dbraw/zinc/25/21/82/336252182.db2.gz GUALFISNLNAGAU-MFKMUULPSA-N 1 0 324.833 5.112 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000532499437 336252147 /nfs/dbraw/zinc/25/21/47/336252147.db2.gz GUALFISNLNAGAU-ZWNOBZJWSA-N 1 0 324.833 5.112 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825486 337604133 /nfs/dbraw/zinc/60/41/33/337604133.db2.gz GSUSBKLTUSVFRB-CRAIPNDOSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825500 337604089 /nfs/dbraw/zinc/60/40/89/337604089.db2.gz GSUSBKLTUSVFRB-MAUKXSAKSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825506 337604147 /nfs/dbraw/zinc/60/41/47/337604147.db2.gz GSUSBKLTUSVFRB-QAPCUYQASA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825510 337604326 /nfs/dbraw/zinc/60/43/26/337604326.db2.gz GSUSBKLTUSVFRB-YJBOKZPZSA-N 1 0 312.413 5.014 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091346 340872636 /nfs/dbraw/zinc/87/26/36/340872636.db2.gz XLWIKTRARMCLMU-BBRMVZONSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091354 340872528 /nfs/dbraw/zinc/87/25/28/340872528.db2.gz XLWIKTRARMCLMU-CJNGLKHVSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091357 340872483 /nfs/dbraw/zinc/87/24/83/340872483.db2.gz XLWIKTRARMCLMU-CZUORRHYSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091360 340872621 /nfs/dbraw/zinc/87/26/21/340872621.db2.gz XLWIKTRARMCLMU-XJKSGUPXSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540190933 340922591 /nfs/dbraw/zinc/92/25/91/340922591.db2.gz LTOYIJNFKYDOCG-BBRMVZONSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191363 340922635 /nfs/dbraw/zinc/92/26/35/340922635.db2.gz LTOYIJNFKYDOCG-CJNGLKHVSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191365 340922579 /nfs/dbraw/zinc/92/25/79/340922579.db2.gz LTOYIJNFKYDOCG-CZUORRHYSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191367 340922511 /nfs/dbraw/zinc/92/25/11/340922511.db2.gz LTOYIJNFKYDOCG-XJKSGUPXSA-N 1 0 318.442 5.094 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000540396810 340929397 /nfs/dbraw/zinc/92/93/97/340929397.db2.gz FHQRLEMOEOTEIA-PWSUYJOCSA-N 1 0 324.833 5.112 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557757 341013560 /nfs/dbraw/zinc/01/35/60/341013560.db2.gz ZRSYSYUXJLDUNF-DZGCQCFKSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557758 341013594 /nfs/dbraw/zinc/01/35/94/341013594.db2.gz ZRSYSYUXJLDUNF-HIFRSBDPSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557759 341013578 /nfs/dbraw/zinc/01/35/78/341013578.db2.gz ZRSYSYUXJLDUNF-UKRRQHHQSA-N 1 0 318.442 5.094 20 5 DKBDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557760 341013611 /nfs/dbraw/zinc/01/36/11/341013611.db2.gz ZRSYSYUXJLDUNF-ZFWWWQNUSA-N 1 0 318.442 5.094 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896338 341098046 /nfs/dbraw/zinc/09/80/46/341098046.db2.gz AFQPGBKEWUZWGS-CRAIPNDOSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896340 341098159 /nfs/dbraw/zinc/09/81/59/341098159.db2.gz AFQPGBKEWUZWGS-MAUKXSAKSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896341 341098140 /nfs/dbraw/zinc/09/81/40/341098140.db2.gz AFQPGBKEWUZWGS-QAPCUYQASA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896343 341098147 /nfs/dbraw/zinc/09/81/47/341098147.db2.gz AFQPGBKEWUZWGS-YJBOKZPZSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062178 341366237 /nfs/dbraw/zinc/36/62/37/341366237.db2.gz OVXZRXGAMNPSED-CRAIPNDOSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062179 341366171 /nfs/dbraw/zinc/36/61/71/341366171.db2.gz OVXZRXGAMNPSED-MAUKXSAKSA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062180 341366205 /nfs/dbraw/zinc/36/62/05/341366205.db2.gz OVXZRXGAMNPSED-QAPCUYQASA-N 1 0 312.413 5.014 20 5 DKBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062181 341366297 /nfs/dbraw/zinc/36/62/97/341366297.db2.gz OVXZRXGAMNPSED-YJBOKZPZSA-N 1 0 312.413 5.014 20 5 DKBDRO