smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c(nc1P(=O)([O-])[O-])CCCCC2 ZINC000217696090 388570756 /nfs/dbraw/zinc/57/07/56/388570756.db2.gz WJXLZALVXCBFHN-UHFFFAOYSA-N -2 0 230.204 0.492 40 70 BCIBRL