smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c2c(=O)cc(O)c([C@H]3CC[N+](C)([O-])C[C@H]3O)c-2o1 ZINC000014687839 717110584 /nfs/dbraw/zinc/11/05/84/717110584.db2.gz SNNBQKIGAIBNCY-WDLMNCOISA-N 0 2 321.329 1.305 1 5 DDBFLN Cc1cc(=O)c2c(O)cc(O)c([C@H]3CC[N+](C)([O-])C[C@H]3O)c2o1 ZINC000014687839 717110585 /nfs/dbraw/zinc/11/05/85/717110585.db2.gz SNNBQKIGAIBNCY-WDLMNCOISA-N 0 2 321.329 1.305 1 5 DDBFLN