smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(O)(CCc1ccc(-c2cccc3c4ccccc4oc32)cc1)[P@@](=O)([O-])O ZINC000029057061 563093657 /nfs/dbraw/zinc/09/36/57/563093657.db2.gz YHZALQRWQQMCMX-UHFFFAOYSA-N -2 2 462.331 4.187 1 0 JIAFLL O=P([O-])(O)C(O)(CCc1ccc(-c2cccc3c4ccccc4oc32)cc1)[P@](=O)([O-])O ZINC000029057061 563093659 /nfs/dbraw/zinc/09/36/59/563093659.db2.gz YHZALQRWQQMCMX-UHFFFAOYSA-N -2 2 462.331 4.187 1 0 JIAFLL O=P([O-])(O)C(O)(CCCCn1c2ccccc2c2c1-c1ccccc1SCC2)[P@@](=O)([O-])O ZINC000045496542 563195845 /nfs/dbraw/zinc/19/58/45/563195845.db2.gz CUXGKUZZMJBXED-UHFFFAOYSA-N -2 2 497.446 4.128 1 0 JIAFLL O=P([O-])(O)C(O)(CCCCn1c2ccccc2c2c1-c1ccccc1SCC2)[P@](=O)([O-])O ZINC000045496542 563195846 /nfs/dbraw/zinc/19/58/46/563195846.db2.gz CUXGKUZZMJBXED-UHFFFAOYSA-N -2 2 497.446 4.128 1 0 JIAFLL