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)(C)[Si](C)(C)OC[C@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC001602921278 971877647 /nfs/dbraw/zinc/87/76/47/971877647.db2.gz DEQDGTSPIGJQFO-CYBMUJFWSA-N 0 1 301.503 3.337 20 50 DGGDMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C ZINC001594875248 982207371 /nfs/dbraw/zinc/20/73/71/982207371.db2.gz FSFPGDDAKKCFLG-QWHCGFSZSA-N 0 1 303.519 3.439 20 50 DGGDMN CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001590451861 990016888 /nfs/dbraw/zinc/01/68/88/990016888.db2.gz UWAHXADJVAFZBH-MELADBBJSA-N 0 1 313.514 3.193 20 50 DGGDMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001573767540 960626086 /nfs/dbraw/zinc/62/60/86/960626086.db2.gz AACKFESMBRIMKF-OLZOCXBDSA-N 0 1 301.503 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC001590451143 990010935 /nfs/dbraw/zinc/01/09/35/990010935.db2.gz BJMBAJHJKZHFQB-ZDUSSCGKSA-N 0 1 301.503 3.337 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC001590451879 990016832 /nfs/dbraw/zinc/01/68/32/990016832.db2.gz VRTYNOHGNKXYMJ-ZDUSSCGKSA-N 0 1 313.514 3.337 20 50 DGGDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(OCCCCl)cc1 ZINC001603297418 972569226 /nfs/dbraw/zinc/56/92/26/972569226.db2.gz UIRJLPSXDVYTNC-MRXNPFEDSA-N 0 1 311.809 3.133 20 50 DGGDMN CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001590451860 990016911 /nfs/dbraw/zinc/01/69/11/990016911.db2.gz UWAHXADJVAFZBH-IHRRRGAJSA-N 0 1 313.514 3.193 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC001590451878 990016945 /nfs/dbraw/zinc/01/69/45/990016945.db2.gz VRTYNOHGNKXYMJ-CYBMUJFWSA-N 0 1 313.514 3.337 20 50 DGGDMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C ZINC001594875246 982207764 /nfs/dbraw/zinc/20/77/64/982207764.db2.gz FSFPGDDAKKCFLG-CHWSQXEVSA-N 0 1 303.519 3.439 20 50 DGGDMN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594187904 998728673 /nfs/dbraw/zinc/72/86/73/998728673.db2.gz NNAQWLWVPZGAAC-PXTQAZKISA-N 0 1 318.804 3.098 20 50 DGGDMN C[C@@H]1C[N@@H+](CCO[Si](C)(C)C(C)(C)C)C[C@H]1CC(=O)[O-] ZINC001599866018 989259727 /nfs/dbraw/zinc/25/97/27/989259727.db2.gz YQICVQWWONWIEN-CHWSQXEVSA-N 0 1 301.503 3.051 20 50 DGGDMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001573767541 960626774 /nfs/dbraw/zinc/62/67/74/960626774.db2.gz AACKFESMBRIMKF-QWHCGFSZSA-N 0 1 301.503 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001590451859 990016295 /nfs/dbraw/zinc/01/62/95/990016295.db2.gz UWAHXADJVAFZBH-BFHYXJOUSA-N 0 1 313.514 3.193 20 50 DGGDMN O=C([O-])C[N@@H+](Cc1ccc(OCCCCl)cc1)C1CCC1 ZINC000902044487 956628634 /nfs/dbraw/zinc/62/86/34/956628634.db2.gz BAVGWILPNHOKNP-UHFFFAOYSA-N 0 1 311.809 3.133 20 50 DGGDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(OCCCCl)cc1 ZINC001603297416 972570139 /nfs/dbraw/zinc/57/01/39/972570139.db2.gz UIRJLPSXDVYTNC-INIZCTEOSA-N 0 1 311.809 3.133 20 50 DGGDMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C ZINC001594875247 982207451 /nfs/dbraw/zinc/20/74/51/982207451.db2.gz FSFPGDDAKKCFLG-OLZOCXBDSA-N 0 1 303.519 3.439 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001588739239 961146643 /nfs/dbraw/zinc/14/66/43/961146643.db2.gz HNTJZIMBTPHPLS-UONOGXRCSA-N 0 1 313.514 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001590451862 990016433 /nfs/dbraw/zinc/01/64/33/990016433.db2.gz UWAHXADJVAFZBH-MJBXVCDLSA-N 0 1 313.514 3.193 20 50 DGGDMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCO[Si](C)(C)C(C)(C)C ZINC001594875249 982207119 /nfs/dbraw/zinc/20/71/19/982207119.db2.gz FSFPGDDAKKCFLG-STQMWFEESA-N 0 1 303.519 3.439 20 50 DGGDMN C[N@@H+](Cc1ccc(OCCCCl)cc1)C(C)(C)CC(=O)[O-] ZINC001119602322 983002761 /nfs/dbraw/zinc/00/27/61/983002761.db2.gz MKHMNYXGNCVLAC-UHFFFAOYSA-N 0 1 313.825 3.379 20 50 DGGDMN C[N@H+](CCO[Si](C)(C)C(C)(C)C)Cc1ccc(C(=O)[O-])o1 ZINC001598497703 992386647 /nfs/dbraw/zinc/38/66/47/992386647.db2.gz CKPJXHMRIRARGP-UHFFFAOYSA-N 0 1 313.470 3.431 20 50 DGGDMN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)Cc1ccc(C(=O)[O-])o1 ZINC001598497703 992386651 /nfs/dbraw/zinc/38/66/51/992386651.db2.gz CKPJXHMRIRARGP-UHFFFAOYSA-N 0 1 313.470 3.431 20 50 DGGDMN C[C@H]1[C@H](C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)[C@H]1Cl ZINC001594187902 998728921 /nfs/dbraw/zinc/72/89/21/998728921.db2.gz NNAQWLWVPZGAAC-HCYDYPBKSA-N 0 1 318.804 3.098 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC001590451142 990011172 /nfs/dbraw/zinc/01/11/72/990011172.db2.gz BJMBAJHJKZHFQB-CYBMUJFWSA-N 0 1 301.503 3.337 20 50 DGGDMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001573767542 960625739 /nfs/dbraw/zinc/62/57/39/960625739.db2.gz AACKFESMBRIMKF-STQMWFEESA-N 0 1 301.503 3.336 20 50 DGGDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(OCCCCl)cc1 ZINC000901969312 980655394 /nfs/dbraw/zinc/65/53/94/980655394.db2.gz YPPYKONNHQESOT-OAHLLOKOSA-N 0 1 311.809 3.133 20 50 DGGDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(OCCCCl)cc1 ZINC000901990315 980669645 /nfs/dbraw/zinc/66/96/45/980669645.db2.gz XVZNVCBORILSBC-CYBMUJFWSA-N 0 1 313.825 3.379 20 50 DGGDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902009281 980688340 /nfs/dbraw/zinc/68/83/40/980688340.db2.gz DJBAQTKCPPATNU-CQSZACIVSA-N 0 1 311.809 3.133 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001588739238 961146108 /nfs/dbraw/zinc/14/61/08/961146108.db2.gz HNTJZIMBTPHPLS-KGLIPLIRSA-N 0 1 313.514 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC001588739366 961150887 /nfs/dbraw/zinc/15/08/87/961150887.db2.gz NCGWHZUDAWBSSS-ZDUSSCGKSA-N 0 1 301.503 3.337 20 50 DGGDMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001573767539 960625478 /nfs/dbraw/zinc/62/54/78/960625478.db2.gz AACKFESMBRIMKF-CHWSQXEVSA-N 0 1 301.503 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC001602921279 971877494 /nfs/dbraw/zinc/87/74/94/971877494.db2.gz DEQDGTSPIGJQFO-ZDUSSCGKSA-N 0 1 301.503 3.337 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC001588739240 961147117 /nfs/dbraw/zinc/14/71/17/961147117.db2.gz HNTJZIMBTPHPLS-ZIAGYGMSSA-N 0 1 313.514 3.336 20 50 DGGDMN CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC001588739364 961150986 /nfs/dbraw/zinc/15/09/86/961150986.db2.gz NCGWHZUDAWBSSS-CYBMUJFWSA-N 0 1 301.503 3.337 20 50 DGGDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(OCCCCl)cc1 ZINC000901990316 980670180 /nfs/dbraw/zinc/67/01/80/980670180.db2.gz XVZNVCBORILSBC-ZDUSSCGKSA-N 0 1 313.825 3.379 20 50 DGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC001588739237 961145851 /nfs/dbraw/zinc/14/58/51/961145851.db2.gz HNTJZIMBTPHPLS-KBPBESRZSA-N 0 1 313.514 3.336 20 50 DGGDMN C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594187906 998728945 /nfs/dbraw/zinc/72/89/45/998728945.db2.gz NNAQWLWVPZGAAC-RVIYUIFMSA-N 0 1 318.804 3.098 20 50 DGGDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902009280 980688193 /nfs/dbraw/zinc/68/81/93/980688193.db2.gz DJBAQTKCPPATNU-AWEZNQCLSA-N 0 1 311.809 3.133 20 50 DGGDMN C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594187899 998728903 /nfs/dbraw/zinc/72/89/03/998728903.db2.gz NNAQWLWVPZGAAC-DUZHOBMZSA-N 0 1 318.804 3.098 20 50 DGGDMN