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]1CCC[N@H+]1CCCCC(=O)[O-] ZINC001590451184 990011727 /nfs/dbraw/zinc/01/17/27/990011727.db2.gz DWYWXBAZFVELKM-AWEZNQCLSA-N 0 1 315.530 3.728 20 50 DHGDMN CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC001590451185 990012156 /nfs/dbraw/zinc/01/21/56/990012156.db2.gz DWYWXBAZFVELKM-CQSZACIVSA-N 0 1 315.530 3.728 20 50 DHGDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001588728043 983979568 /nfs/dbraw/zinc/97/95/68/983979568.db2.gz BHBGRKACVDOJPZ-KBPBESRZSA-N 0 1 313.514 3.502 20 50 DHGDMN C[N@@H+](CC(=O)[O-])Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1 ZINC001604113817 972516212 /nfs/dbraw/zinc/51/62/12/972516212.db2.gz FWHSKXBFLFJHJB-UHFFFAOYSA-N 0 1 323.509 3.725 20 50 DHGDMN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)Cc1cccc(C(=O)[O-])c1 ZINC001598497722 992386392 /nfs/dbraw/zinc/38/63/92/992386392.db2.gz CVLQMHWIFUSCRR-UHFFFAOYSA-N 0 1 323.509 3.838 20 50 DHGDMN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC001573463034 958924119 /nfs/dbraw/zinc/92/41/19/958924119.db2.gz WCJAJXLUXXDKCJ-CQSZACIVSA-N 0 1 315.530 3.728 20 50 DHGDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001588728046 983979807 /nfs/dbraw/zinc/97/98/07/983979807.db2.gz BHBGRKACVDOJPZ-ZIAGYGMSSA-N 0 1 313.514 3.502 20 50 DHGDMN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC001573463033 958924519 /nfs/dbraw/zinc/92/45/19/958924519.db2.gz WCJAJXLUXXDKCJ-AWEZNQCLSA-N 0 1 315.530 3.728 20 50 DHGDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001588728045 983979846 /nfs/dbraw/zinc/97/98/46/983979846.db2.gz BHBGRKACVDOJPZ-UONOGXRCSA-N 0 1 313.514 3.502 20 50 DHGDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001588728044 983979589 /nfs/dbraw/zinc/97/95/89/983979589.db2.gz BHBGRKACVDOJPZ-KGLIPLIRSA-N 0 1 313.514 3.502 20 50 DHGDMN