smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225018802 1167648046 /nfs/dbraw/zinc/64/80/46/1167648046.db2.gz HYBLKXLZRSZYER-JTQLQIEISA-N -2 1 236.248 2.316 20 30 BEEDML C=C[C@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225018803 1167648073 /nfs/dbraw/zinc/64/80/73/1167648073.db2.gz HYBLKXLZRSZYER-SNVBAGLBSA-N -2 1 236.248 2.316 20 30 BEEDML CCCCN(O)C(=O)c1cccc(F)c1O ZINC000900677744 584340941 /nfs/dbraw/zinc/34/09/41/584340941.db2.gz DJKUKQPTPWPAKB-UHFFFAOYSA-N -2 1 227.235 2.163 20 30 BEEDML