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)(O)[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824167251 608166108 /nfs/dbraw/zinc/16/61/08/608166108.db2.gz PWJBWUUMBNUTTF-CYBMUJFWSA-N 1 1 373.417 -0.137 20 50 FBGDMO CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824167252 608165880 /nfs/dbraw/zinc/16/58/80/608165880.db2.gz PWJBWUUMBNUTTF-ZDUSSCGKSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687884 608033199 /nfs/dbraw/zinc/03/31/99/608033199.db2.gz HARCXFVMEVYERE-BXUZGUMPSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687884 608033198 /nfs/dbraw/zinc/03/31/98/608033198.db2.gz HARCXFVMEVYERE-BXUZGUMPSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687885 608033451 /nfs/dbraw/zinc/03/34/51/608033451.db2.gz HARCXFVMEVYERE-FZMZJTMJSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687885 608033450 /nfs/dbraw/zinc/03/34/50/608033450.db2.gz HARCXFVMEVYERE-FZMZJTMJSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687886 608033329 /nfs/dbraw/zinc/03/33/29/608033329.db2.gz HARCXFVMEVYERE-RISCZKNCSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687886 608033328 /nfs/dbraw/zinc/03/33/28/608033328.db2.gz HARCXFVMEVYERE-RISCZKNCSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687887 608033506 /nfs/dbraw/zinc/03/35/06/608033506.db2.gz HARCXFVMEVYERE-SMDDNHRTSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824687887 608033505 /nfs/dbraw/zinc/03/35/05/608033505.db2.gz HARCXFVMEVYERE-SMDDNHRTSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690470 609146042 /nfs/dbraw/zinc/14/60/42/609146042.db2.gz SJRKNEIJYGQTPY-GWCFXTLKSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690470 609146040 /nfs/dbraw/zinc/14/60/40/609146040.db2.gz SJRKNEIJYGQTPY-GWCFXTLKSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690473 609145874 /nfs/dbraw/zinc/14/58/74/609145874.db2.gz SJRKNEIJYGQTPY-GXFFZTMASA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690473 609145872 /nfs/dbraw/zinc/14/58/72/609145872.db2.gz SJRKNEIJYGQTPY-GXFFZTMASA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690474 609146060 /nfs/dbraw/zinc/14/60/60/609146060.db2.gz SJRKNEIJYGQTPY-MFKMUULPSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690474 609146059 /nfs/dbraw/zinc/14/60/59/609146059.db2.gz SJRKNEIJYGQTPY-MFKMUULPSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690476 609145704 /nfs/dbraw/zinc/14/57/04/609145704.db2.gz SJRKNEIJYGQTPY-ZWNOBZJWSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824690476 609145702 /nfs/dbraw/zinc/14/57/02/609145702.db2.gz SJRKNEIJYGQTPY-ZWNOBZJWSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690550 609146534 /nfs/dbraw/zinc/14/65/34/609146534.db2.gz TTWYRDZOSYHHBA-GWCFXTLKSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690550 609146532 /nfs/dbraw/zinc/14/65/32/609146532.db2.gz TTWYRDZOSYHHBA-GWCFXTLKSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690551 609146808 /nfs/dbraw/zinc/14/68/08/609146808.db2.gz TTWYRDZOSYHHBA-GXFFZTMASA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690551 609146806 /nfs/dbraw/zinc/14/68/06/609146806.db2.gz TTWYRDZOSYHHBA-GXFFZTMASA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690552 609146579 /nfs/dbraw/zinc/14/65/79/609146579.db2.gz TTWYRDZOSYHHBA-MFKMUULPSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690552 609146577 /nfs/dbraw/zinc/14/65/77/609146577.db2.gz TTWYRDZOSYHHBA-MFKMUULPSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690553 609146851 /nfs/dbraw/zinc/14/68/51/609146851.db2.gz TTWYRDZOSYHHBA-ZWNOBZJWSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824690553 609146849 /nfs/dbraw/zinc/14/68/49/609146849.db2.gz TTWYRDZOSYHHBA-ZWNOBZJWSA-N 1 1 359.390 -0.670 20 50 FBGDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691246 608033809 /nfs/dbraw/zinc/03/38/09/608033809.db2.gz YIKDJZRSKYPOBY-BXUZGUMPSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691246 608033808 /nfs/dbraw/zinc/03/38/08/608033808.db2.gz YIKDJZRSKYPOBY-BXUZGUMPSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691247 608033764 /nfs/dbraw/zinc/03/37/64/608033764.db2.gz YIKDJZRSKYPOBY-FZMZJTMJSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691247 608033763 /nfs/dbraw/zinc/03/37/63/608033763.db2.gz YIKDJZRSKYPOBY-FZMZJTMJSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691248 608033749 /nfs/dbraw/zinc/03/37/49/608033749.db2.gz YIKDJZRSKYPOBY-RISCZKNCSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691248 608033748 /nfs/dbraw/zinc/03/37/48/608033748.db2.gz YIKDJZRSKYPOBY-RISCZKNCSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691249 608033866 /nfs/dbraw/zinc/03/38/66/608033866.db2.gz YIKDJZRSKYPOBY-SMDDNHRTSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824691249 608033865 /nfs/dbraw/zinc/03/38/65/608033865.db2.gz YIKDJZRSKYPOBY-SMDDNHRTSA-N 1 1 373.417 -0.280 20 50 FBGDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824697450 607755638 /nfs/dbraw/zinc/75/56/38/607755638.db2.gz CTWBFVTTXASGLB-BXUZGUMPSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824697451 607755873 /nfs/dbraw/zinc/75/58/73/607755873.db2.gz CTWBFVTTXASGLB-FZMZJTMJSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824697452 607755967 /nfs/dbraw/zinc/75/59/67/607755967.db2.gz CTWBFVTTXASGLB-RISCZKNCSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824697453 607755643 /nfs/dbraw/zinc/75/56/43/607755643.db2.gz CTWBFVTTXASGLB-SMDDNHRTSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824699211 607756815 /nfs/dbraw/zinc/75/68/15/607756815.db2.gz QIXCDJFDHVLVGE-BXUZGUMPSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824699212 607756839 /nfs/dbraw/zinc/75/68/39/607756839.db2.gz QIXCDJFDHVLVGE-FZMZJTMJSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824699213 607756845 /nfs/dbraw/zinc/75/68/45/607756845.db2.gz QIXCDJFDHVLVGE-RISCZKNCSA-N 1 1 373.417 -0.137 20 50 FBGDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824699214 607756773 /nfs/dbraw/zinc/75/67/73/607756773.db2.gz QIXCDJFDHVLVGE-SMDDNHRTSA-N 1 1 373.417 -0.137 20 50 FBGDMO CC(C)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H](C)O ZINC000824707514 607922197 /nfs/dbraw/zinc/92/21/97/607922197.db2.gz SAKOBWRXGKHZHL-LLVKDONJSA-N 1 1 361.406 -0.281 20 50 FBGDMO CC(C)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H](C)O ZINC000824707515 607922209 /nfs/dbraw/zinc/92/22/09/607922209.db2.gz SAKOBWRXGKHZHL-NSHDSACASA-N 1 1 361.406 -0.281 20 50 FBGDMO C[C@]1(O)CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824836700 608378599 /nfs/dbraw/zinc/37/85/99/608378599.db2.gz BNPPSJOBWGLYMZ-INIZCTEOSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@]1(O)CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824836700 608378597 /nfs/dbraw/zinc/37/85/97/608378597.db2.gz BNPPSJOBWGLYMZ-INIZCTEOSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@@]1(O)CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824836703 608378584 /nfs/dbraw/zinc/37/85/84/608378584.db2.gz BNPPSJOBWGLYMZ-MRXNPFEDSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@@]1(O)CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824836703 608378582 /nfs/dbraw/zinc/37/85/82/608378582.db2.gz BNPPSJOBWGLYMZ-MRXNPFEDSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@]1(O)CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824838847 608378493 /nfs/dbraw/zinc/37/84/93/608378493.db2.gz UXZNHJJHPPJAAI-INIZCTEOSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@]1(O)CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824838847 608378491 /nfs/dbraw/zinc/37/84/91/608378491.db2.gz UXZNHJJHPPJAAI-INIZCTEOSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@@]1(O)CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824838848 608378515 /nfs/dbraw/zinc/37/85/15/608378515.db2.gz UXZNHJJHPPJAAI-MRXNPFEDSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@@]1(O)CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824838848 608378513 /nfs/dbraw/zinc/37/85/13/608378513.db2.gz UXZNHJJHPPJAAI-MRXNPFEDSA-N 1 1 359.390 -0.526 20 50 FBGDMO C[C@@H]1[C@H](C)N(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000824860268 608210203 /nfs/dbraw/zinc/21/02/03/608210203.db2.gz SXHUNYPKUPKFPN-NEPJUHHUSA-N 1 1 372.433 -0.348 20 50 FBGDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824860273 608210440 /nfs/dbraw/zinc/21/04/40/608210440.db2.gz SXHUNYPKUPKFPN-NWDGAFQWSA-N 1 1 372.433 -0.348 20 50 FBGDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824860274 608210343 /nfs/dbraw/zinc/21/03/43/608210343.db2.gz SXHUNYPKUPKFPN-RYUDHWBXSA-N 1 1 372.433 -0.348 20 50 FBGDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824860275 608210214 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ZINC000825893021 607923602 /nfs/dbraw/zinc/92/36/02/607923602.db2.gz ZESRLDFSIPBHRY-UHFFFAOYSA-N 1 1 359.390 -0.262 20 50 FBGDMO C[N@H+]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC000826038388 608379056 /nfs/dbraw/zinc/37/90/56/608379056.db2.gz MLEMWEFFOLMDEH-UHFFFAOYSA-N 1 1 372.433 -0.346 20 50 FBGDMO COC[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826153720 607924416 /nfs/dbraw/zinc/92/44/16/607924416.db2.gz XSVPGAFEDTULOV-CYBMUJFWSA-N 1 1 359.390 -0.262 20 50 FBGDMO COC[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826153720 607924415 /nfs/dbraw/zinc/92/44/15/607924415.db2.gz XSVPGAFEDTULOV-CYBMUJFWSA-N 1 1 359.390 -0.262 20 50 FBGDMO COC[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826153721 607924423 /nfs/dbraw/zinc/92/44/23/607924423.db2.gz XSVPGAFEDTULOV-ZDUSSCGKSA-N 1 1 359.390 -0.262 20 50 FBGDMO COC[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826153721 607924422 /nfs/dbraw/zinc/92/44/22/607924422.db2.gz XSVPGAFEDTULOV-ZDUSSCGKSA-N 1 1 359.390 -0.262 20 50 FBGDMO O=C(C[N@H+](CCCO)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409494 607923939 /nfs/dbraw/zinc/92/39/39/607923939.db2.gz BSPBHURIJXUKFN-UHFFFAOYSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@@H+](CCCO)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409494 607923938 /nfs/dbraw/zinc/92/39/38/607923938.db2.gz BSPBHURIJXUKFN-UHFFFAOYSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@H+](CCCCO)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409517 607924007 /nfs/dbraw/zinc/92/40/07/607924007.db2.gz CVLJOJAGTKSCTM-UHFFFAOYSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@@H+](CCCCO)C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409517 607924006 /nfs/dbraw/zinc/92/40/06/607924006.db2.gz CVLJOJAGTKSCTM-UHFFFAOYSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@@H+](CCO)CC1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826409618 607921771 /nfs/dbraw/zinc/92/17/71/607921771.db2.gz HYLZDCXMUOKIGR-UHFFFAOYSA-N 1 1 359.390 -0.668 20 50 FBGDMO O=C(C[N@@H+]1CCCC[C@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410184 607922931 /nfs/dbraw/zinc/92/29/31/607922931.db2.gz FTLSHWAHJVDVKI-AWEZNQCLSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@H+]1CCCC[C@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410184 607922930 /nfs/dbraw/zinc/92/29/30/607922930.db2.gz FTLSHWAHJVDVKI-AWEZNQCLSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@@H+]1CCCC[C@@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410185 607922812 /nfs/dbraw/zinc/92/28/12/607922812.db2.gz FTLSHWAHJVDVKI-CQSZACIVSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@H+]1CCCC[C@@H]1CCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410185 607922811 /nfs/dbraw/zinc/92/28/11/607922811.db2.gz FTLSHWAHJVDVKI-CQSZACIVSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@@H+]1CCCC[C@@H]1CO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410305 607921991 /nfs/dbraw/zinc/92/19/91/607921991.db2.gz JNYZCLLKENZMNJ-CYBMUJFWSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@H+]1CCCC[C@@H]1CO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410305 607921990 /nfs/dbraw/zinc/92/19/90/607921990.db2.gz JNYZCLLKENZMNJ-CYBMUJFWSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@@H+]1CCCC[C@H]1CO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410306 607921937 /nfs/dbraw/zinc/92/19/37/607921937.db2.gz JNYZCLLKENZMNJ-ZDUSSCGKSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@H+]1CCCC[C@H]1CO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410306 607921936 /nfs/dbraw/zinc/92/19/36/607921936.db2.gz JNYZCLLKENZMNJ-ZDUSSCGKSA-N 1 1 359.390 -0.526 20 50 FBGDMO O=C(C[N@@H+]1CCC[C@H]1CCCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410841 607922933 /nfs/dbraw/zinc/92/29/33/607922933.db2.gz ZXLCCNQKHIQXOS-AWEZNQCLSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(C[N@@H+]1CCC[C@@H]1CCCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410842 607923003 /nfs/dbraw/zinc/92/30/03/607923003.db2.gz ZXLCCNQKHIQXOS-CQSZACIVSA-N 1 1 373.417 -0.135 20 50 FBGDMO O=C(NNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444339 608120908 /nfs/dbraw/zinc/12/09/08/608120908.db2.gz BLMJMRPMKYSLCF-CYBMUJFWSA-N 1 1 356.390 -0.982 20 50 FBGDMO O=C(NNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444340 608120950 /nfs/dbraw/zinc/12/09/50/608120950.db2.gz BLMJMRPMKYSLCF-ZDUSSCGKSA-N 1 1 356.390 -0.982 20 50 FBGDMO O=C(NNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826444351 608123080 /nfs/dbraw/zinc/12/30/80/608123080.db2.gz BWBCVVATTWGEBK-CYBMUJFWSA-N 1 1 356.390 -0.982 20 50 FBGDMO O=C(NNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000826444352 608123195 /nfs/dbraw/zinc/12/31/95/608123195.db2.gz BWBCVVATTWGEBK-ZDUSSCGKSA-N 1 1 356.390 -0.982 20 50 FBGDMO