smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NC(=NNc2ccc(C(=O)[O-])c(Cl)c2)C(CO[P@@](=O)([O-])O)=C(C=O)C1=O ZINC000004392986 562943242 /nfs/dbraw/zinc/94/32/42/562943242.db2.gz KMRWDYZPXRUNAQ-VHEBQXMUSA-N -2 2 429.709 3.284 1 10 IGCFLL CC1=NC(=NNc2ccc(C(=O)[O-])c(Cl)c2)C(CO[P@](=O)([O-])O)=C(C=O)C1=O ZINC000004392986 562943243 /nfs/dbraw/zinc/94/32/43/562943243.db2.gz KMRWDYZPXRUNAQ-VHEBQXMUSA-N -2 2 429.709 3.284 1 10 IGCFLL