smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000004566615 134858103 /nfs/dbraw/zinc/85/81/03/134858103.db2.gz AKBIDZFJECEDFQ-LURQLKTLSA-N 1 0 224.277 -2.872 40 5 BABBRO C[N+](C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000004566616 346603923 /nfs/dbraw/zinc/60/39/23/346603923.db2.gz AKBIDZFJECEDFQ-JQCXWYLXSA-N 1 0 224.277 -2.872 40 5 BABBRO C[N+](C)(C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000004566617 134857754 /nfs/dbraw/zinc/85/77/54/134857754.db2.gz AKBIDZFJECEDFQ-FNCVBFRFSA-N 1 0 224.277 -2.872 40 5 BABBRO C[N+]12CN3CN(C1)S(=O)(=O)N(C3)C2 ZINC000019319479 342945521 /nfs/dbraw/zinc/94/55/21/342945521.db2.gz WPNGYIPPVWSDKA-UHFFFAOYSA-N 1 0 205.263 -1.588 40 5 BABBRO