smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C)CC1 ZINC000735550695 944668515 /nfs/dbraw/zinc/66/85/15/944668515.db2.gz KJYUIRLVIRVBEA-GFCCVEGCSA-N 1 1 388.432 -0.971 20 50 GBGDMO C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C)CC1 ZINC000735550696 944668369 /nfs/dbraw/zinc/66/83/69/944668369.db2.gz KJYUIRLVIRVBEA-LBPRGKRZSA-N 1 1 388.432 -0.971 20 50 GBGDMO C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCOCC1 ZINC000736016905 944731946 /nfs/dbraw/zinc/73/19/46/944731946.db2.gz FPHBFCVVOSWCPA-GFCCVEGCSA-N 1 1 388.432 -0.221 20 50 GBGDMO C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCOCC1 ZINC000736016906 944731911 /nfs/dbraw/zinc/73/19/11/944731911.db2.gz FPHBFCVVOSWCPA-LBPRGKRZSA-N 1 1 388.432 -0.221 20 50 GBGDMO C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCOCC1 ZINC000736017032 944732605 /nfs/dbraw/zinc/73/26/05/944732605.db2.gz HHGOYPAHMOJZGF-GFCCVEGCSA-N 1 1 388.432 -0.221 20 50 GBGDMO C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCOCC1 ZINC000736017034 944733323 /nfs/dbraw/zinc/73/33/23/944733323.db2.gz HHGOYPAHMOJZGF-LBPRGKRZSA-N 1 1 388.432 -0.221 20 50 GBGDMO CCC(=O)NNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736303616 944794067 /nfs/dbraw/zinc/79/40/67/944794067.db2.gz LYMXCUWQZBSQAX-CYBMUJFWSA-N 1 1 386.460 -0.070 20 50 GBGDMO CCC(=O)NNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736303619 944793654 /nfs/dbraw/zinc/79/36/54/944793654.db2.gz LYMXCUWQZBSQAX-ZDUSSCGKSA-N 1 1 386.460 -0.070 20 50 GBGDMO COCC[N@@H+](C)CCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736989109 944929303 /nfs/dbraw/zinc/92/93/03/944929303.db2.gz VGWKBKQOPFPKIC-UHFFFAOYSA-N 1 1 376.421 -0.221 20 50 GBGDMO COCC[N@@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736989323 944929506 /nfs/dbraw/zinc/92/95/06/944929506.db2.gz ABRDEBITDGJDLS-UHFFFAOYSA-N 1 1 392.420 -0.846 20 50 GBGDMO COCC[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736990555 944929531 /nfs/dbraw/zinc/92/95/31/944929531.db2.gz PXVHNCSXEMOYCF-UHFFFAOYSA-N 1 1 392.420 -0.846 20 50 GBGDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737008077 944931577 /nfs/dbraw/zinc/93/15/77/944931577.db2.gz SBHGTUKIXREASK-AWEZNQCLSA-N 1 1 388.432 -0.079 20 50 GBGDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737008082 944931040 /nfs/dbraw/zinc/93/10/40/944931040.db2.gz SBHGTUKIXREASK-CQSZACIVSA-N 1 1 388.432 -0.079 20 50 GBGDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737009292 944931253 /nfs/dbraw/zinc/93/12/53/944931253.db2.gz ZBYARUAEFWVBBG-AWEZNQCLSA-N 1 1 388.432 -0.079 20 50 GBGDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737009295 944931975 /nfs/dbraw/zinc/93/19/75/944931975.db2.gz ZBYARUAEFWVBBG-CQSZACIVSA-N 1 1 388.432 -0.079 20 50 GBGDMO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NNC(=O)C[NH+](C)C ZINC000737031595 944938458 /nfs/dbraw/zinc/93/84/58/944938458.db2.gz AEFCJHCJHUIYNU-UHFFFAOYSA-N 1 1 377.405 -0.257 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(-c2nn[nH]n2)n1C ZINC000737211538 944986788 /nfs/dbraw/zinc/98/67/88/944986788.db2.gz COZPSSSBCDBUNF-GSHXUFRSSA-N 1 1 383.460 -0.217 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(-c2nn[nH]n2)n1C ZINC000737211539 944987119 /nfs/dbraw/zinc/98/71/19/944987119.db2.gz COZPSSSBCDBUNF-KEQVLUGWSA-N 1 1 383.460 -0.217 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(-c2nn[nH]n2)n1C ZINC000737211540 944987138 /nfs/dbraw/zinc/98/71/38/944987138.db2.gz COZPSSSBCDBUNF-LULHVWEPSA-N 1 1 383.460 -0.217 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(-c2nn[nH]n2)n1C ZINC000737211541 944986136 /nfs/dbraw/zinc/98/61/36/944986136.db2.gz COZPSSSBCDBUNF-XIEDVDOYSA-N 1 1 383.460 -0.217 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC2CC[NH+](CC(N)=O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213760 945008708 /nfs/dbraw/zinc/00/87/08/945008708.db2.gz WZEWGHCMRLTFAT-NTUHNPAUSA-N 1 1 397.443 -0.514 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)NC2CC[NH+](CC(N)=O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213761 945007611 /nfs/dbraw/zinc/00/76/11/945007611.db2.gz WZEWGHCMRLTFAT-QPEQYQDCSA-N 1 1 397.443 -0.514 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213952 945011814 /nfs/dbraw/zinc/01/18/14/945011814.db2.gz ZGVBLIJHPXXTES-AAWHYMEISA-N 1 1 384.444 -0.054 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213954 945010923 /nfs/dbraw/zinc/01/09/23/945010923.db2.gz ZGVBLIJHPXXTES-AZZDOICSSA-N 1 1 384.444 -0.054 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213955 945010272 /nfs/dbraw/zinc/01/02/72/945010272.db2.gz ZGVBLIJHPXXTES-IYVNWDGISA-N 1 1 384.444 -0.054 20 50 GBGDMO Cc1c(C=C(C#N)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(-c2nn[nH]n2)n1C ZINC000737213957 945010299 /nfs/dbraw/zinc/01/02/99/945010299.db2.gz ZGVBLIJHPXXTES-PWDRSIHYSA-N 1 1 384.444 -0.054 20 50 GBGDMO O=C(CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NNC(=O)C1CC1 ZINC000737872985 945140150 /nfs/dbraw/zinc/14/01/50/945140150.db2.gz JIVJAATZQOKZEU-UHFFFAOYSA-N 1 1 398.471 -0.068 20 50 GBGDMO O=C(CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NNC(=O)C1CC1 ZINC000737873734 945141525 /nfs/dbraw/zinc/14/15/25/945141525.db2.gz PFAHOPJHVGTQNN-UHFFFAOYSA-N 1 1 384.444 -0.458 20 50 GBGDMO O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000737918853 945152142 /nfs/dbraw/zinc/15/21/42/945152142.db2.gz OLCVSXZAIJERNV-GFCCVEGCSA-N 1 1 386.416 -0.187 20 50 GBGDMO O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000737918855 945152417 /nfs/dbraw/zinc/15/24/17/945152417.db2.gz OLCVSXZAIJERNV-LBPRGKRZSA-N 1 1 386.416 -0.187 20 50 GBGDMO O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000737932580 945160141 /nfs/dbraw/zinc/16/01/41/945160141.db2.gz YZFKXHJULJDHKN-LLVKDONJSA-N 1 1 386.416 -0.187 20 50 GBGDMO O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000737932581 945159424 /nfs/dbraw/zinc/15/94/24/945159424.db2.gz YZFKXHJULJDHKN-NSHDSACASA-N 1 1 386.416 -0.187 20 50 GBGDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738050700 945176785 /nfs/dbraw/zinc/17/67/85/945176785.db2.gz FZOLYZPSHHOYMK-KBPBESRZSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738050701 945176987 /nfs/dbraw/zinc/17/69/87/945176987.db2.gz FZOLYZPSHHOYMK-KGLIPLIRSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738050702 945176713 /nfs/dbraw/zinc/17/67/13/945176713.db2.gz FZOLYZPSHHOYMK-UONOGXRCSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738050703 945176905 /nfs/dbraw/zinc/17/69/05/945176905.db2.gz FZOLYZPSHHOYMK-ZIAGYGMSSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738051181 945179097 /nfs/dbraw/zinc/17/90/97/945179097.db2.gz KMSZQNBHESPPLC-KBPBESRZSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738051182 945178151 /nfs/dbraw/zinc/17/81/51/945178151.db2.gz KMSZQNBHESPPLC-KGLIPLIRSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738051183 945178308 /nfs/dbraw/zinc/17/83/08/945178308.db2.gz KMSZQNBHESPPLC-UONOGXRCSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738051184 945178005 /nfs/dbraw/zinc/17/80/05/945178005.db2.gz KMSZQNBHESPPLC-ZIAGYGMSSA-N 1 1 386.416 -0.326 20 50 GBGDMO O=C(NCC[NH+]1CCSCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738076267 945183428 /nfs/dbraw/zinc/18/34/28/945183428.db2.gz WSXAOEAHLOTIGN-UHFFFAOYSA-N 1 1 376.446 -0.141 20 50 GBGDMO O=C(NCC[NH+]1CCSCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738076464 945182829 /nfs/dbraw/zinc/18/28/29/945182829.db2.gz YHAUOPOKVYDUSW-UHFFFAOYSA-N 1 1 376.446 -0.141 20 50 GBGDMO CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000820202684 945374652 /nfs/dbraw/zinc/37/46/52/945374652.db2.gz JKJPIMPQNUCTAA-JTQLQIEISA-N 1 1 391.436 -0.169 20 50 GBGDMO CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)o1 ZINC000820202685 945374613 /nfs/dbraw/zinc/37/46/13/945374613.db2.gz JKJPIMPQNUCTAA-SNVBAGLBSA-N 1 1 391.436 -0.169 20 50 GBGDMO C[C@@H]1C[N@H+](CCC(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@H](C)O1 ZINC000820752601 945550481 /nfs/dbraw/zinc/55/04/81/945550481.db2.gz OUGBOGAJPABKBP-PHIMTYICSA-N 1 1 376.421 -0.535 20 50 GBGDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159461 945644548 /nfs/dbraw/zinc/64/45/48/945644548.db2.gz BZOYGZPHORWQKR-CYBMUJFWSA-N 1 1 386.460 -0.099 20 50 GBGDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159462 945645019 /nfs/dbraw/zinc/64/50/19/945645019.db2.gz BZOYGZPHORWQKR-ZDUSSCGKSA-N 1 1 386.460 -0.099 20 50 GBGDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160841 945644215 /nfs/dbraw/zinc/64/42/15/945644215.db2.gz RDZXOXROAFBOOA-CYBMUJFWSA-N 1 1 386.460 -0.099 20 50 GBGDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160843 945644624 /nfs/dbraw/zinc/64/46/24/945644624.db2.gz RDZXOXROAFBOOA-ZDUSSCGKSA-N 1 1 386.460 -0.099 20 50 GBGDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821241331 945659290 /nfs/dbraw/zinc/65/92/90/945659290.db2.gz MPDQFBBBEKPSBG-BXUZGUMPSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@@H+]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821241332 945658134 /nfs/dbraw/zinc/65/81/34/945658134.db2.gz MPDQFBBBEKPSBG-FZMZJTMJSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821241333 945658211 /nfs/dbraw/zinc/65/82/11/945658211.db2.gz MPDQFBBBEKPSBG-RISCZKNCSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821241334 945658773 /nfs/dbraw/zinc/65/87/73/945658773.db2.gz MPDQFBBBEKPSBG-SMDDNHRTSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@@H+]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821242636 945659719 /nfs/dbraw/zinc/65/97/19/945659719.db2.gz VSUODWBBLUWVJY-AAEUAGOBSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821242637 945659094 /nfs/dbraw/zinc/65/90/94/945659094.db2.gz VSUODWBBLUWVJY-DGCLKSJQSA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821242639 945659079 /nfs/dbraw/zinc/65/90/79/945659079.db2.gz VSUODWBBLUWVJY-WCQYABFASA-N 1 1 388.432 -0.084 20 50 GBGDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821242641 945658746 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CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824228608 946629387 /nfs/dbraw/zinc/62/93/87/946629387.db2.gz KAWNOENSLAKEMU-SNVBAGLBSA-N 1 1 392.468 -0.382 20 50 GBGDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909117 607922207 /nfs/dbraw/zinc/92/22/07/607922207.db2.gz SSXIQUFMWAFMET-GWCFXTLKSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909117 607922206 /nfs/dbraw/zinc/92/22/06/607922206.db2.gz SSXIQUFMWAFMET-GWCFXTLKSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909121 607922052 /nfs/dbraw/zinc/92/20/52/607922052.db2.gz SSXIQUFMWAFMET-GXFFZTMASA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909121 607922051 /nfs/dbraw/zinc/92/20/51/607922051.db2.gz SSXIQUFMWAFMET-GXFFZTMASA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909125 607922303 /nfs/dbraw/zinc/92/23/03/607922303.db2.gz SSXIQUFMWAFMET-MFKMUULPSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909125 607922302 /nfs/dbraw/zinc/92/23/02/607922302.db2.gz SSXIQUFMWAFMET-MFKMUULPSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909128 607922081 /nfs/dbraw/zinc/92/20/81/607922081.db2.gz SSXIQUFMWAFMET-ZWNOBZJWSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824909128 607922080 /nfs/dbraw/zinc/92/20/80/607922080.db2.gz SSXIQUFMWAFMET-ZWNOBZJWSA-N 1 1 386.416 -0.787 20 50 GBGDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000612 607922164 /nfs/dbraw/zinc/92/21/64/607922164.db2.gz SZQYMDNKNHCUJE-DOMZBBRYSA-N 1 1 384.444 -0.204 20 50 GBGDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000613 607922227 /nfs/dbraw/zinc/92/22/27/607922227.db2.gz SZQYMDNKNHCUJE-IUODEOHRSA-N 1 1 384.444 -0.204 20 50 GBGDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000614 607922174 /nfs/dbraw/zinc/92/21/74/607922174.db2.gz SZQYMDNKNHCUJE-SWLSCSKDSA-N 1 1 384.444 -0.204 20 50 GBGDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000615 607922236 /nfs/dbraw/zinc/92/22/36/607922236.db2.gz SZQYMDNKNHCUJE-WFASDCNBSA-N 1 1 384.444 -0.204 20 50 GBGDMO CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000825892478 607922513 /nfs/dbraw/zinc/92/25/13/607922513.db2.gz MICRFZUILHFKSG-HNNXBMFYSA-N 1 1 384.444 -0.204 20 50 GBGDMO CN(CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000825892480 607922479 /nfs/dbraw/zinc/92/24/79/607922479.db2.gz MICRFZUILHFKSG-OAHLLOKOSA-N 1 1 384.444 -0.204 20 50 GBGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](CO)C(C)(C)C ZINC000825892863 607925216 /nfs/dbraw/zinc/92/52/16/607925216.db2.gz WTVDPXFDWRVVNP-CYBMUJFWSA-N 1 1 375.433 -0.034 20 50 GBGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H](CO)C(C)(C)C ZINC000825892864 607925139 /nfs/dbraw/zinc/92/51/39/607925139.db2.gz WTVDPXFDWRVVNP-ZDUSSCGKSA-N 1 1 375.433 -0.034 20 50 GBGDMO C[N@@H+](CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892983 608325257 /nfs/dbraw/zinc/32/52/57/608325257.db2.gz XZTVBIPIYYEYFL-GFCCVEGCSA-N 1 1 391.457 -0.170 20 50 GBGDMO C[N@H+](CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892983 608325255 /nfs/dbraw/zinc/32/52/55/608325255.db2.gz XZTVBIPIYYEYFL-GFCCVEGCSA-N 1 1 391.457 -0.170 20 50 GBGDMO C[N@@H+](CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892987 608325360 /nfs/dbraw/zinc/32/53/60/608325360.db2.gz XZTVBIPIYYEYFL-LBPRGKRZSA-N 1 1 391.457 -0.170 20 50 GBGDMO C[N@H+](CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892987 608325358 /nfs/dbraw/zinc/32/53/58/608325358.db2.gz XZTVBIPIYYEYFL-LBPRGKRZSA-N 1 1 391.457 -0.170 20 50 GBGDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NNC(=O)C(C)(C)C ZINC000825934191 608034778 /nfs/dbraw/zinc/03/47/78/608034778.db2.gz KTNHUFRILGSWEB-UHFFFAOYSA-N 1 1 378.441 -0.770 20 50 GBGDMO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NNC(=O)C(C)(C)C ZINC000825934191 608034777 /nfs/dbraw/zinc/03/47/77/608034777.db2.gz KTNHUFRILGSWEB-UHFFFAOYSA-N 1 1 378.441 -0.770 20 50 GBGDMO C[N@@H+](CCCn1ccnc1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938394 608418653 /nfs/dbraw/zinc/41/86/53/608418653.db2.gz RLVAEYHWMGWECG-UHFFFAOYSA-N 1 1 383.416 -0.154 20 50 GBGDMO C[N@@H+](CCCn1ccnc1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825938710 608418342 /nfs/dbraw/zinc/41/83/42/608418342.db2.gz WZMKASLHIAWCMS-UHFFFAOYSA-N 1 1 383.416 -0.154 20 50 GBGDMO NC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391044 607922829 /nfs/dbraw/zinc/92/28/29/607922829.db2.gz VAOXRKRAUGGVPK-CYBMUJFWSA-N 1 1 386.416 -0.642 20 50 GBGDMO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391044 607922828 /nfs/dbraw/zinc/92/28/28/607922828.db2.gz VAOXRKRAUGGVPK-CYBMUJFWSA-N 1 1 386.416 -0.642 20 50 GBGDMO NC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391045 607922969 /nfs/dbraw/zinc/92/29/69/607922969.db2.gz VAOXRKRAUGGVPK-ZDUSSCGKSA-N 1 1 386.416 -0.642 20 50 GBGDMO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826391045 607922968 /nfs/dbraw/zinc/92/29/68/607922968.db2.gz VAOXRKRAUGGVPK-ZDUSSCGKSA-N 1 1 386.416 -0.642 20 50 GBGDMO O=C(C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410160 607558595 /nfs/dbraw/zinc/55/85/95/607558595.db2.gz DZLRSLRVMRECKY-CABCVRRESA-N 1 1 385.428 -0.014 20 50 GBGDMO O=C(C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410161 607559158 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IQGINYQSPCOVCM-OAHLLOKOSA-N 1 1 381.396 -0.049 20 50 GBGDMO