smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC(c1c([O-])[nH]c(=O)[nH]c1=O)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000100923667 222257756 /nfs/dbraw/zinc/25/77/56/222257756.db2.gz SZSQCRWMSFONQM-UHFFFAOYSA-N -2 0 366.374 -0.073 40 30 FBEBRL