smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000095585546 209082648 /nfs/dbraw/zinc/08/26/48/209082648.db2.gz CBZOIOFOTFWVNT-NRFANRHFSA-N -2 2 364.337 2.167 1 30 FEEFLL CCCCCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000095585546 209082651 /nfs/dbraw/zinc/08/26/51/209082651.db2.gz CBZOIOFOTFWVNT-NRFANRHFSA-N -2 2 364.337 2.167 1 30 FEEFLL