smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCOCCOCCOCCOP(=O)([O-])[O-] ZINC000100097400 520011067 /nfs/dbraw/zinc/01/10/67/520011067.db2.gz JQAGDVDTMKMJIR-UHFFFAOYSA-N -2 0 398.477 4.066 10 30 GIEERL