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](CN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735999545 944733092 /nfs/dbraw/zinc/73/30/92/944733092.db2.gz BZWNBDBBGBDLPV-GFCCVEGCSA-N 0 3 387.448 -0.553 20 50 GBGDHN C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735999546 944733356 /nfs/dbraw/zinc/73/33/56/944733356.db2.gz BZWNBDBBGBDLPV-LBPRGKRZSA-N 0 3 387.448 -0.553 20 50 GBGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000736756047 944883646 /nfs/dbraw/zinc/88/36/46/944883646.db2.gz HJVFIXCJDWVNBF-UHFFFAOYSA-N 0 3 388.432 -0.079 20 50 GBGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000736756047 944883638 /nfs/dbraw/zinc/88/36/38/944883638.db2.gz HJVFIXCJDWVNBF-UHFFFAOYSA-N 0 3 388.432 -0.079 20 50 GBGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000736757418 944884670 /nfs/dbraw/zinc/88/46/70/944884670.db2.gz SEAOYLRLPSOQIK-UHFFFAOYSA-N 0 3 388.432 -0.079 20 50 GBGDHN C[NH+](C)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000736757418 944884664 /nfs/dbraw/zinc/88/46/64/944884664.db2.gz SEAOYLRLPSOQIK-UHFFFAOYSA-N 0 3 388.432 -0.079 20 50 GBGDHN COCC[N@@H+](C)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736989109 944929319 /nfs/dbraw/zinc/92/93/19/944929319.db2.gz VGWKBKQOPFPKIC-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN COCC[N@H+](C)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736989109 944929308 /nfs/dbraw/zinc/92/93/08/944929308.db2.gz VGWKBKQOPFPKIC-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN COCCN(C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736989323 944929513 /nfs/dbraw/zinc/92/95/13/944929513.db2.gz ABRDEBITDGJDLS-UHFFFAOYSA-N 0 3 392.420 -0.846 20 50 GBGDHN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000737918853 945152155 /nfs/dbraw/zinc/15/21/55/945152155.db2.gz OLCVSXZAIJERNV-GFCCVEGCSA-N 0 3 386.416 -0.187 20 50 GBGDHN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000737918855 945152421 /nfs/dbraw/zinc/15/24/21/945152421.db2.gz OLCVSXZAIJERNV-LBPRGKRZSA-N 0 3 386.416 -0.187 20 50 GBGDHN CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821159461 945644581 /nfs/dbraw/zinc/64/45/81/945644581.db2.gz BZOYGZPHORWQKR-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821159461 945644573 /nfs/dbraw/zinc/64/45/73/945644573.db2.gz BZOYGZPHORWQKR-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821159461 945644566 /nfs/dbraw/zinc/64/45/66/945644566.db2.gz BZOYGZPHORWQKR-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821159461 945644558 /nfs/dbraw/zinc/64/45/58/945644558.db2.gz BZOYGZPHORWQKR-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821159462 945645039 /nfs/dbraw/zinc/64/50/39/945645039.db2.gz BZOYGZPHORWQKR-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821159462 945645035 /nfs/dbraw/zinc/64/50/35/945645035.db2.gz BZOYGZPHORWQKR-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821159462 945645030 /nfs/dbraw/zinc/64/50/30/945645030.db2.gz BZOYGZPHORWQKR-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821159462 945645024 /nfs/dbraw/zinc/64/50/24/945645024.db2.gz BZOYGZPHORWQKR-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821160841 945644234 /nfs/dbraw/zinc/64/42/34/945644234.db2.gz RDZXOXROAFBOOA-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821160841 945644231 /nfs/dbraw/zinc/64/42/31/945644231.db2.gz RDZXOXROAFBOOA-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821160841 945644223 /nfs/dbraw/zinc/64/42/23/945644223.db2.gz RDZXOXROAFBOOA-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821160841 945644220 /nfs/dbraw/zinc/64/42/20/945644220.db2.gz RDZXOXROAFBOOA-CYBMUJFWSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821160843 945644643 /nfs/dbraw/zinc/64/46/43/945644643.db2.gz RDZXOXROAFBOOA-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821160843 945644635 /nfs/dbraw/zinc/64/46/35/945644635.db2.gz RDZXOXROAFBOOA-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821160843 945644632 /nfs/dbraw/zinc/64/46/32/945644632.db2.gz RDZXOXROAFBOOA-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@H+](C)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821160843 945644628 /nfs/dbraw/zinc/64/46/28/945644628.db2.gz RDZXOXROAFBOOA-ZDUSSCGKSA-N 0 3 386.460 -0.099 20 50 GBGDHN CC[N@@H+]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821242636 945659748 /nfs/dbraw/zinc/65/97/48/945659748.db2.gz VSUODWBBLUWVJY-AAEUAGOBSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821242636 945659741 /nfs/dbraw/zinc/65/97/41/945659741.db2.gz VSUODWBBLUWVJY-AAEUAGOBSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821242636 945659735 /nfs/dbraw/zinc/65/97/35/945659735.db2.gz VSUODWBBLUWVJY-AAEUAGOBSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821242636 945659727 /nfs/dbraw/zinc/65/97/27/945659727.db2.gz VSUODWBBLUWVJY-AAEUAGOBSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242637 945659105 /nfs/dbraw/zinc/65/91/05/945659105.db2.gz VSUODWBBLUWVJY-DGCLKSJQSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242637 945659102 /nfs/dbraw/zinc/65/91/02/945659102.db2.gz VSUODWBBLUWVJY-DGCLKSJQSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242637 945659101 /nfs/dbraw/zinc/65/91/01/945659101.db2.gz VSUODWBBLUWVJY-DGCLKSJQSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242637 945659097 /nfs/dbraw/zinc/65/90/97/945659097.db2.gz VSUODWBBLUWVJY-DGCLKSJQSA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242639 945659089 /nfs/dbraw/zinc/65/90/89/945659089.db2.gz VSUODWBBLUWVJY-WCQYABFASA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242639 945659086 /nfs/dbraw/zinc/65/90/86/945659086.db2.gz VSUODWBBLUWVJY-WCQYABFASA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242639 945659084 /nfs/dbraw/zinc/65/90/84/945659084.db2.gz VSUODWBBLUWVJY-WCQYABFASA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242639 945659082 /nfs/dbraw/zinc/65/90/82/945659082.db2.gz VSUODWBBLUWVJY-WCQYABFASA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242641 945658763 /nfs/dbraw/zinc/65/87/63/945658763.db2.gz VSUODWBBLUWVJY-YPMHNXCESA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821242641 945658761 /nfs/dbraw/zinc/65/87/61/945658761.db2.gz VSUODWBBLUWVJY-YPMHNXCESA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242641 945658756 /nfs/dbraw/zinc/65/87/56/945658756.db2.gz VSUODWBBLUWVJY-YPMHNXCESA-N 0 3 388.432 -0.084 20 50 GBGDHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821242641 945658751 /nfs/dbraw/zinc/65/87/51/945658751.db2.gz VSUODWBBLUWVJY-YPMHNXCESA-N 0 3 388.432 -0.084 20 50 GBGDHN C[NH+](C)CC1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821583243 945725350 /nfs/dbraw/zinc/72/53/50/945725350.db2.gz NLYFMGXULCTMGC-UHFFFAOYSA-N 0 3 386.460 -0.099 20 50 GBGDHN C[NH+](C)CC1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583555 945724883 /nfs/dbraw/zinc/72/48/83/945724883.db2.gz ZLKVBDNTNPAPAL-UHFFFAOYSA-N 0 3 386.460 -0.099 20 50 GBGDHN COCCC[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687130 945813849 /nfs/dbraw/zinc/81/38/49/945813849.db2.gz PMLHVIFSFZIJAB-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN COCCC[N@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687130 945813836 /nfs/dbraw/zinc/81/38/36/945813836.db2.gz PMLHVIFSFZIJAB-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN COCCC[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687309 945814937 /nfs/dbraw/zinc/81/49/37/945814937.db2.gz YBWPTZXMEQWAEL-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN COCCC[N@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687309 945814925 /nfs/dbraw/zinc/81/49/25/945814925.db2.gz YBWPTZXMEQWAEL-UHFFFAOYSA-N 0 3 376.421 -0.221 20 50 GBGDHN O=C(CN1CC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991441 946248235 /nfs/dbraw/zinc/24/82/35/946248235.db2.gz DBAXDUPSSMFENR-HNNXBMFYSA-N 0 3 384.444 -0.202 20 50 GBGDHN O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991442 946249092 /nfs/dbraw/zinc/24/90/92/946249092.db2.gz DBAXDUPSSMFENR-OAHLLOKOSA-N 0 3 384.444 -0.202 20 50 GBGDHN O=C(CN1CC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993136 946252816 /nfs/dbraw/zinc/25/28/16/946252816.db2.gz OZUQIIMIGDUOFC-HNNXBMFYSA-N 0 3 384.444 -0.202 20 50 GBGDHN O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993137 946252774 /nfs/dbraw/zinc/25/27/74/946252774.db2.gz OZUQIIMIGDUOFC-OAHLLOKOSA-N 0 3 384.444 -0.202 20 50 GBGDHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000612 607922168 /nfs/dbraw/zinc/92/21/68/607922168.db2.gz SZQYMDNKNHCUJE-DOMZBBRYSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000612 607922167 /nfs/dbraw/zinc/92/21/67/607922167.db2.gz SZQYMDNKNHCUJE-DOMZBBRYSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000612 607922166 /nfs/dbraw/zinc/92/21/66/607922166.db2.gz SZQYMDNKNHCUJE-DOMZBBRYSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000612 607922165 /nfs/dbraw/zinc/92/21/65/607922165.db2.gz SZQYMDNKNHCUJE-DOMZBBRYSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000613 607922231 /nfs/dbraw/zinc/92/22/31/607922231.db2.gz SZQYMDNKNHCUJE-IUODEOHRSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000613 607922230 /nfs/dbraw/zinc/92/22/30/607922230.db2.gz SZQYMDNKNHCUJE-IUODEOHRSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000613 607922229 /nfs/dbraw/zinc/92/22/29/607922229.db2.gz SZQYMDNKNHCUJE-IUODEOHRSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000613 607922228 /nfs/dbraw/zinc/92/22/28/607922228.db2.gz SZQYMDNKNHCUJE-IUODEOHRSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000614 607922178 /nfs/dbraw/zinc/92/21/78/607922178.db2.gz SZQYMDNKNHCUJE-SWLSCSKDSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000614 607922177 /nfs/dbraw/zinc/92/21/77/607922177.db2.gz SZQYMDNKNHCUJE-SWLSCSKDSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000614 607922176 /nfs/dbraw/zinc/92/21/76/607922176.db2.gz SZQYMDNKNHCUJE-SWLSCSKDSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000614 607922175 /nfs/dbraw/zinc/92/21/75/607922175.db2.gz SZQYMDNKNHCUJE-SWLSCSKDSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000615 607922240 /nfs/dbraw/zinc/92/22/40/607922240.db2.gz SZQYMDNKNHCUJE-WFASDCNBSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825000615 607922239 /nfs/dbraw/zinc/92/22/39/607922239.db2.gz SZQYMDNKNHCUJE-WFASDCNBSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000615 607922238 /nfs/dbraw/zinc/92/22/38/607922238.db2.gz SZQYMDNKNHCUJE-WFASDCNBSA-N 0 3 384.444 -0.204 20 50 GBGDHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825000615 607922237 /nfs/dbraw/zinc/92/22/37/607922237.db2.gz SZQYMDNKNHCUJE-WFASDCNBSA-N 0 3 384.444 -0.204 20 50 GBGDHN