smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O ZINC000040394307 183060567 /nfs/dbraw/zinc/06/05/67/183060567.db2.gz MERMDRROGGVGCD-MLTZYSBQSA-N 0 0 309.242 -1.631 1 10 DACFRN OC[C@H]1O[C@H]2OC[C@@H](c3ccc(O)c(O)c3)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000014948161 560227611 /nfs/dbraw/zinc/22/76/11/560227611.db2.gz CTVFMNLFBWRHJH-QQOHENMQSA-N 0 0 314.290 -1.007 1 10 biogenic,in-vitro DACFRN OC[C@H]1O[C@H]2OC[C@H](c3ccc(O)c(O)c3)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000035964862 560086590 /nfs/dbraw/zinc/08/65/90/560086590.db2.gz CTVFMNLFBWRHJH-YOVYLDAJSA-N 0 0 314.290 -1.007 1 10 biogenic,in-vitro DACFRN