smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000195548109 338904550 /nfs/dbraw/zinc/90/45/50/338904550.db2.gz SPTNFPZPIVAWEW-SJKOYZFVSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000195613431 338910030 /nfs/dbraw/zinc/91/00/30/338910030.db2.gz AXCMVWUEMKRNLL-SJCJKPOMSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000195613433 338910041 /nfs/dbraw/zinc/91/00/41/338910041.db2.gz AXCMVWUEMKRNLL-SJKOYZFVSA-N 0 3 318.804 5.050 20 5 DKBDHN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263188 333189725 /nfs/dbraw/zinc/18/97/25/333189725.db2.gz WOJORKIEBWHCPE-CABCVRRESA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263232 333189811 /nfs/dbraw/zinc/18/98/11/333189811.db2.gz WOJORKIEBWHCPE-GJZGRUSLSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000216263273 333189649 /nfs/dbraw/zinc/18/96/49/333189649.db2.gz WOJORKIEBWHCPE-HUUCEWRRSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000216263316 333189604 /nfs/dbraw/zinc/18/96/04/333189604.db2.gz WOJORKIEBWHCPE-LSDHHAIUSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266380 333198076 /nfs/dbraw/zinc/19/80/76/333198076.db2.gz YASRBAFMHUBZRU-CABCVRRESA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266429 333198166 /nfs/dbraw/zinc/19/81/66/333198166.db2.gz YASRBAFMHUBZRU-GJZGRUSLSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000216266475 333198186 /nfs/dbraw/zinc/19/81/86/333198186.db2.gz YASRBAFMHUBZRU-HUUCEWRRSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000216266517 333198115 /nfs/dbraw/zinc/19/81/15/333198115.db2.gz YASRBAFMHUBZRU-LSDHHAIUSA-N 0 3 320.392 5.160 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000218215655 334148158 /nfs/dbraw/zinc/14/81/58/334148158.db2.gz RBGGPILZGZOOBH-YVEFUNNKSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000218215793 334148196 /nfs/dbraw/zinc/14/81/96/334148196.db2.gz RBGGPILZGZOOBH-SJKOYZFVSA-N 0 3 318.804 5.050 20 5 DKBDHN CC(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803447 340282529 /nfs/dbraw/zinc/28/25/29/340282529.db2.gz GHHOAKSSYSQRDP-CABCVRRESA-N 0 3 312.413 5.130 20 5 DKBDHN CC(C)c1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803448 340282550 /nfs/dbraw/zinc/28/25/50/340282550.db2.gz GHHOAKSSYSQRDP-GJZGRUSLSA-N 0 3 312.413 5.130 20 5 DKBDHN CC(C)c1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803449 340282477 /nfs/dbraw/zinc/28/24/77/340282477.db2.gz GHHOAKSSYSQRDP-HUUCEWRRSA-N 0 3 312.413 5.130 20 5 DKBDHN CC(C)c1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000302803451 340282532 /nfs/dbraw/zinc/28/25/32/340282532.db2.gz GHHOAKSSYSQRDP-LSDHHAIUSA-N 0 3 312.413 5.130 20 5 DKBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392516 337986040 /nfs/dbraw/zinc/98/60/40/337986040.db2.gz FMPTVKAOOHLESA-PXAZEXFGSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392517 337986057 /nfs/dbraw/zinc/98/60/57/337986057.db2.gz FMPTVKAOOHLESA-SJCJKPOMSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392518 337986012 /nfs/dbraw/zinc/98/60/12/337986012.db2.gz FMPTVKAOOHLESA-SJKOYZFVSA-N 0 3 318.804 5.050 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000315392520 337986079 /nfs/dbraw/zinc/98/60/79/337986079.db2.gz FMPTVKAOOHLESA-YVEFUNNKSA-N 0 3 318.804 5.050 20 5 DKBDHN C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824534 333411365 /nfs/dbraw/zinc/41/13/65/333411365.db2.gz MGHWYUWIHCBFPD-KBXCAEBGSA-N 0 3 312.413 5.033 20 5 DKBDHN C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824536 333411363 /nfs/dbraw/zinc/41/13/63/333411363.db2.gz MGHWYUWIHCBFPD-KDOFPFPSSA-N 0 3 312.413 5.033 20 5 DKBDHN C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319824541 333411368 /nfs/dbraw/zinc/41/13/68/333411368.db2.gz MGHWYUWIHCBFPD-RDTXWAMCSA-N 0 3 312.413 5.033 20 5 DKBDHN C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319860777 333413498 /nfs/dbraw/zinc/41/34/98/333413498.db2.gz RCMPMMAUHUOJEC-KSSFIOAISA-N 0 3 312.413 5.033 20 5 DKBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082851 336080317 /nfs/dbraw/zinc/08/03/17/336080317.db2.gz ZWAANOSLRGKICB-CABCVRRESA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082853 336080254 /nfs/dbraw/zinc/08/02/54/336080254.db2.gz ZWAANOSLRGKICB-GJZGRUSLSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000324082854 336080306 /nfs/dbraw/zinc/08/03/06/336080306.db2.gz ZWAANOSLRGKICB-HUUCEWRRSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000324082855 336080251 /nfs/dbraw/zinc/08/02/51/336080251.db2.gz ZWAANOSLRGKICB-LSDHHAIUSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842188 336263055 /nfs/dbraw/zinc/26/30/55/336263055.db2.gz FGTKIYPZSRGUID-CABCVRRESA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842189 336262995 /nfs/dbraw/zinc/26/29/95/336262995.db2.gz FGTKIYPZSRGUID-GJZGRUSLSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000324842190 336263049 /nfs/dbraw/zinc/26/30/49/336263049.db2.gz FGTKIYPZSRGUID-HUUCEWRRSA-N 0 3 320.392 5.160 20 5 DKBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000324842191 336263013 /nfs/dbraw/zinc/26/30/13/336263013.db2.gz FGTKIYPZSRGUID-LSDHHAIUSA-N 0 3 320.392 5.160 20 5 DKBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170604 333239378 /nfs/dbraw/zinc/23/93/78/333239378.db2.gz ACKLIXRAVCBWQE-CRAIPNDOSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170610 333239386 /nfs/dbraw/zinc/23/93/86/333239386.db2.gz ACKLIXRAVCBWQE-MAUKXSAKSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170611 333239352 /nfs/dbraw/zinc/23/93/52/333239352.db2.gz ACKLIXRAVCBWQE-QAPCUYQASA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000390170612 517829528 /nfs/dbraw/zinc/82/95/28/517829528.db2.gz ACKLIXRAVCBWQE-YJBOKZPZSA-N 0 3 312.413 5.014 20 5 DKBDHN CC(C)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396142 333276514 /nfs/dbraw/zinc/27/65/14/333276514.db2.gz FZBQPQJXOFFJNH-BEFAXECRSA-N 0 3 312.413 5.033 20 5 DKBDHN CC(C)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396143 333276618 /nfs/dbraw/zinc/27/66/18/333276618.db2.gz FZBQPQJXOFFJNH-DNVCBOLYSA-N 0 3 312.413 5.033 20 5 DKBDHN CC(C)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396144 333276574 /nfs/dbraw/zinc/27/65/74/333276574.db2.gz FZBQPQJXOFFJNH-HNAYVOBHSA-N 0 3 312.413 5.033 20 5 DKBDHN CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000390396145 333276577 /nfs/dbraw/zinc/27/65/77/333276577.db2.gz FZBQPQJXOFFJNH-KXBFYZLASA-N 0 3 312.413 5.033 20 5 DKBDHN CCC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000443085612 338443776 /nfs/dbraw/zinc/44/37/76/338443776.db2.gz CFPVFILVPGNBER-CJNGLKHVSA-N 0 3 318.442 5.157 20 5 DKBDHN Cc1c([C@H](C)N[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000482434131 339631159 /nfs/dbraw/zinc/63/11/59/339631159.db2.gz DMLJJQWNTWOMGY-MGPUTAFESA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436749 339631241 /nfs/dbraw/zinc/63/12/41/339631241.db2.gz JJGFFMDAOYNMLA-FOIQADDNSA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436751 339631249 /nfs/dbraw/zinc/63/12/49/339631249.db2.gz JJGFFMDAOYNMLA-MGPUTAFESA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436753 339631257 /nfs/dbraw/zinc/63/12/57/339631257.db2.gz JJGFFMDAOYNMLA-QRWLVFNGSA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000482436756 339631253 /nfs/dbraw/zinc/63/12/53/339631253.db2.gz JJGFFMDAOYNMLA-YWZLYKJASA-N 0 3 324.424 5.095 20 5 DKBDHN CC[C@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000482942454 339647429 /nfs/dbraw/zinc/64/74/29/339647429.db2.gz COKIWAQTTQWXPS-VQTJNVASSA-N 0 3 324.424 5.095 20 5 DKBDHN CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000483124204 339652818 /nfs/dbraw/zinc/65/28/18/339652818.db2.gz GIYGAHPMYGHLKJ-KXBFYZLASA-N 0 3 312.413 5.014 20 5 DKBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000489979030 339822863 /nfs/dbraw/zinc/82/28/63/339822863.db2.gz NUIOZUJASLYDEE-MGPUTAFESA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000489979031 339822851 /nfs/dbraw/zinc/82/28/51/339822851.db2.gz NUIOZUJASLYDEE-QRWLVFNGSA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000489979032 339822898 /nfs/dbraw/zinc/82/28/98/339822898.db2.gz NUIOZUJASLYDEE-YWZLYKJASA-N 0 3 324.424 5.095 20 5 DKBDHN Cc1ccccc1[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000492878156 339911462 /nfs/dbraw/zinc/91/14/62/339911462.db2.gz REOHFOWAVQHBKP-MGPUTAFESA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccccc1[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000531718238 333550459 /nfs/dbraw/zinc/55/04/59/333550459.db2.gz XNGBZYRILCXBFY-MGPUTAFESA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000531718242 333550343 /nfs/dbraw/zinc/55/03/43/333550343.db2.gz XNGBZYRILCXBFY-YWZLYKJASA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccc([C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199615 335914938 /nfs/dbraw/zinc/91/49/38/335914938.db2.gz HIUPYLYFVLUXGV-FOIQADDNSA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccc([C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199617 335914900 /nfs/dbraw/zinc/91/49/00/335914900.db2.gz HIUPYLYFVLUXGV-QRWLVFNGSA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000532199618 335914904 /nfs/dbraw/zinc/91/49/04/335914904.db2.gz HIUPYLYFVLUXGV-YWZLYKJASA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccc([C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1 ZINC000532199704 335914884 /nfs/dbraw/zinc/91/48/84/335914884.db2.gz PBWUJKUDRROSGD-QRWLVFNGSA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccc([C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1 ZINC000532199705 335914867 /nfs/dbraw/zinc/91/48/67/335914867.db2.gz PBWUJKUDRROSGD-YWZLYKJASA-N 0 3 324.424 5.014 20 5 DKBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000532228607 335920810 /nfs/dbraw/zinc/92/08/10/335920810.db2.gz CCTFLRDORBLRFG-YWZLYKJASA-N 0 3 324.424 5.014 20 5 DKBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000532499436 336252183 /nfs/dbraw/zinc/25/21/83/336252183.db2.gz GUALFISNLNAGAU-MFKMUULPSA-N 0 3 324.833 5.112 20 5 DKBDHN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000532499437 336252148 /nfs/dbraw/zinc/25/21/48/336252148.db2.gz GUALFISNLNAGAU-ZWNOBZJWSA-N 0 3 324.833 5.112 20 5 DKBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825486 337604134 /nfs/dbraw/zinc/60/41/34/337604134.db2.gz GSUSBKLTUSVFRB-CRAIPNDOSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825500 337604090 /nfs/dbraw/zinc/60/40/90/337604090.db2.gz GSUSBKLTUSVFRB-MAUKXSAKSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825506 337604148 /nfs/dbraw/zinc/60/41/48/337604148.db2.gz GSUSBKLTUSVFRB-QAPCUYQASA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000536825510 337604327 /nfs/dbraw/zinc/60/43/27/337604327.db2.gz GSUSBKLTUSVFRB-YJBOKZPZSA-N 0 3 312.413 5.014 20 5 DKBDHN CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091346 340872637 /nfs/dbraw/zinc/87/26/37/340872637.db2.gz XLWIKTRARMCLMU-BBRMVZONSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091354 340872529 /nfs/dbraw/zinc/87/25/29/340872529.db2.gz XLWIKTRARMCLMU-CJNGLKHVSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091357 340872484 /nfs/dbraw/zinc/87/24/84/340872484.db2.gz XLWIKTRARMCLMU-CZUORRHYSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539091360 340872622 /nfs/dbraw/zinc/87/26/22/340872622.db2.gz XLWIKTRARMCLMU-XJKSGUPXSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540190933 340922592 /nfs/dbraw/zinc/92/25/92/340922592.db2.gz LTOYIJNFKYDOCG-BBRMVZONSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191363 340922636 /nfs/dbraw/zinc/92/26/36/340922636.db2.gz LTOYIJNFKYDOCG-CJNGLKHVSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191365 340922580 /nfs/dbraw/zinc/92/25/80/340922580.db2.gz LTOYIJNFKYDOCG-CZUORRHYSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000540191367 340922512 /nfs/dbraw/zinc/92/25/12/340922512.db2.gz LTOYIJNFKYDOCG-XJKSGUPXSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557757 341013561 /nfs/dbraw/zinc/01/35/61/341013561.db2.gz ZRSYSYUXJLDUNF-DZGCQCFKSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557758 341013595 /nfs/dbraw/zinc/01/35/95/341013595.db2.gz ZRSYSYUXJLDUNF-HIFRSBDPSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557759 341013579 /nfs/dbraw/zinc/01/35/79/341013579.db2.gz ZRSYSYUXJLDUNF-UKRRQHHQSA-N 0 3 318.442 5.094 20 5 DKBDHN CC(C)C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000542557760 341013612 /nfs/dbraw/zinc/01/36/12/341013612.db2.gz ZRSYSYUXJLDUNF-ZFWWWQNUSA-N 0 3 318.442 5.094 20 5 DKBDHN CC[C@@H](N[C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896338 341098047 /nfs/dbraw/zinc/09/80/47/341098047.db2.gz AFQPGBKEWUZWGS-CRAIPNDOSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896340 341098160 /nfs/dbraw/zinc/09/81/60/341098160.db2.gz AFQPGBKEWUZWGS-MAUKXSAKSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896341 341098141 /nfs/dbraw/zinc/09/81/41/341098141.db2.gz AFQPGBKEWUZWGS-QAPCUYQASA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000544896343 341098148 /nfs/dbraw/zinc/09/81/48/341098148.db2.gz AFQPGBKEWUZWGS-YJBOKZPZSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062178 341366238 /nfs/dbraw/zinc/36/62/38/341366238.db2.gz OVXZRXGAMNPSED-CRAIPNDOSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062179 341366172 /nfs/dbraw/zinc/36/61/72/341366172.db2.gz OVXZRXGAMNPSED-MAUKXSAKSA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062180 341366206 /nfs/dbraw/zinc/36/62/06/341366206.db2.gz OVXZRXGAMNPSED-QAPCUYQASA-N 0 3 312.413 5.014 20 5 DKBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000552062181 341366298 /nfs/dbraw/zinc/36/62/98/341366298.db2.gz OVXZRXGAMNPSED-YJBOKZPZSA-N 0 3 312.413 5.014 20 5 DKBDHN