smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc(C(P(=O)([O-])O)[P@@](=O)([O-])O)cc(C(C)(C)C)c1O ZINC000001626569 212251513 /nfs/dbraw/zinc/25/15/13/212251513.db2.gz MSJJXKJSVLVAKX-UHFFFAOYSA-N -2 2 380.314 3.341 40 0 GGABLL CC(C)(C)c1cc(C(P(=O)([O-])O)[P@](=O)([O-])O)cc(C(C)(C)C)c1O ZINC000001626569 212251518 /nfs/dbraw/zinc/25/15/18/212251518.db2.gz MSJJXKJSVLVAKX-UHFFFAOYSA-N -2 2 380.314 3.341 40 0 GGABLL