smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC/C=C/c1c(O)cc2c(c1O)C(=O)c1c(O)c(Cl)c([O-])cc1C2=O ZINC000084690417 222321875 /nfs/dbraw/zinc/32/18/75/222321875.db2.gz VBCIGIPAGWIVFH-AATRIKPKSA-N -1 2 388.803 4.141 1 10 GICFLM