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(Cc1ccc(Cl)c(Cl)c1)[P@](=O)([O-])O ZINC000103263979 219279264 /nfs/dbraw/zinc/27/92/64/219279264.db2.gz CBDIRNGRAGDRQA-UHFFFAOYSA-N -2 2 335.016 2.217 1 0 EEAFLL O=P([O-])(O)C(Cc1ccc(Cl)c(Cl)c1)[P@@](=O)([O-])O ZINC000103263979 219279266 /nfs/dbraw/zinc/27/92/66/219279266.db2.gz CBDIRNGRAGDRQA-UHFFFAOYSA-N -2 2 335.016 2.217 1 0 EEAFLL O=P([O-])(O)C(Nc1cc(Cl)cc(Cl)c1)[P@](=O)([O-])O ZINC000052969057 214157387 /nfs/dbraw/zinc/15/73/87/214157387.db2.gz ALPQLQJFTUXTFT-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL O=P([O-])(O)C(Nc1cc(Cl)cc(Cl)c1)[P@@](=O)([O-])O ZINC000052969057 214157389 /nfs/dbraw/zinc/15/73/89/214157389.db2.gz ALPQLQJFTUXTFT-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL O=P([O-])(O)C(Nc1cccc(Cl)c1Cl)[P@](=O)([O-])O ZINC000103211004 219270221 /nfs/dbraw/zinc/27/02/21/219270221.db2.gz MHZIAHXWTPYINE-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL O=P([O-])(O)C(Nc1cccc(Cl)c1Cl)[P@@](=O)([O-])O ZINC000103211004 219270225 /nfs/dbraw/zinc/27/02/25/219270225.db2.gz MHZIAHXWTPYINE-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL O=P([O-])(O)C(Nc1c(Cl)cccc1Cl)[P@](=O)([O-])O ZINC000103211012 219270681 /nfs/dbraw/zinc/27/06/81/219270681.db2.gz KGPZOMGTNDRRAI-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL O=P([O-])(O)C(Nc1c(Cl)cccc1Cl)[P@@](=O)([O-])O ZINC000103211012 219270683 /nfs/dbraw/zinc/27/06/83/219270683.db2.gz KGPZOMGTNDRRAI-UHFFFAOYSA-N -2 2 336.004 2.044 1 0 EEAFLL